USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 621 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 56 THR OG1 : rot 68:sc= -4.22! USER MOD Set 1.2: A 77 LYS NZ :NH3+ -152:sc= 0.353! (180deg=-0.857) USER MOD Single : A 14 SER OG : rot -17:sc= 0.225 USER MOD Single : A 16 LYS NZ :NH3+ 151:sc= -0.0859 (180deg=-0.876) USER MOD Single : A 18 TYR OH : rot 27:sc= 0.36 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 165:sc= 0.266 USER MOD Single : A 27 THR OG1 : rot -127:sc= -1.86! USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -120:sc= -2.83! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 45 THR OG1 : rot -94:sc= -0.297 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= -0.125 (180deg=-1.24!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 58 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.26) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= -0.134 (180deg=-0.281) USER MOD Single : A 82 GLN :FLIP amide:sc= -8.17! C(o=-13!,f=-8.2!) USER MOD Single : A 87 GLN : amide:sc= -10.4! C(o=-10!,f=-15!) USER MOD Single : A 88 LYS NZ :NH3+ 145:sc= -0.0891 (180deg=-0.752) USER MOD ----------------------------------------------------------------- ATOM 99 N VAL A 7 -2.574 -10.873 5.164 1.00 0.00 N ATOM 100 CA VAL A 7 -2.410 -10.100 3.899 1.00 0.00 C ATOM 101 C VAL A 7 -3.231 -8.807 3.975 1.00 0.00 C ATOM 102 O VAL A 7 -3.082 -8.025 4.891 1.00 0.00 O ATOM 103 CB VAL A 7 -2.950 -10.990 2.785 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.432 -10.461 1.452 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.499 -12.432 2.983 1.00 0.00 C ATOM 0 HA VAL A 7 -1.368 -9.830 3.725 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.040 -10.973 2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.808 -11.086 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.775 -9.436 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.342 -10.483 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.895 -13.051 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.410 -12.477 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.869 -12.801 3.940 1.00 0.00 H new ATOM 115 N ILE A 8 -4.100 -8.577 3.022 1.00 0.00 N ATOM 116 CA ILE A 8 -4.930 -7.346 3.041 1.00 0.00 C ATOM 117 C ILE A 8 -5.728 -7.268 4.348 1.00 0.00 C ATOM 118 O ILE A 8 -6.519 -8.136 4.655 1.00 0.00 O ATOM 119 CB ILE A 8 -5.867 -7.502 1.840 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.057 -7.827 0.586 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.623 -6.194 1.605 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.739 -8.969 -0.166 1.00 0.00 C ATOM 0 H ILE A 8 -4.267 -9.197 2.229 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.336 -6.434 2.984 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.569 -8.310 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.983 -6.947 -0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.040 -8.110 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.289 -6.307 0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.208 -5.948 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.911 -5.393 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.167 -9.207 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.790 -9.848 0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.748 -8.667 -0.449 1.00 0.00 H new ATOM 134 N LEU A 9 -5.528 -6.231 5.119 1.00 0.00 N ATOM 135 CA LEU A 9 -6.280 -6.104 6.406 1.00 0.00 C ATOM 136 C LEU A 9 -7.275 -4.940 6.328 1.00 0.00 C ATOM 137 O LEU A 9 -8.414 -5.116 5.942 1.00 0.00 O ATOM 138 CB LEU A 9 -5.226 -5.852 7.498 1.00 0.00 C ATOM 139 CG LEU A 9 -4.071 -5.007 6.955 1.00 0.00 C ATOM 140 CD1 LEU A 9 -3.460 -4.184 8.090 1.00 0.00 C ATOM 141 CD2 LEU A 9 -3.003 -5.927 6.365 1.00 0.00 C ATOM 0 H LEU A 9 -4.880 -5.470 4.916 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.858 -7.003 6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.688 -5.344 8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.844 -6.804 7.867 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.445 -4.337 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.638 -3.583 7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.220 -3.528 8.514 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.086 -4.854 8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.180 -5.327 5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.631 -6.597 7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.436 -6.515 5.555 1.00 0.00 H new ATOM 153 N ALA A 10 -6.861 -3.755 6.691 1.00 0.00 N ATOM 154 CA ALA A 10 -7.795 -2.592 6.633 1.00 0.00 C ATOM 155 C ALA A 10 -7.564 -1.791 5.347 1.00 0.00 C ATOM 156 O ALA A 10 -6.443 -1.635 4.905 1.00 0.00 O ATOM 157 CB ALA A 10 -7.450 -1.748 7.860 1.00 0.00 C ATOM 0 H ALA A 10 -5.921 -3.542 7.024 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.840 -2.900 6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.095 -0.870 7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.600 -2.340 8.763 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.409 -1.431 7.803 1.00 0.00 H new ATOM 163 N PRO A 11 -8.643 -1.311 4.790 1.00 0.00 N ATOM 164 CA PRO A 11 -8.569 -0.515 3.540 1.00 0.00 C ATOM 165 C PRO A 11 -8.012 0.882 3.826 1.00 0.00 C ATOM 166 O PRO A 11 -7.768 1.243 4.960 1.00 0.00 O ATOM 167 CB PRO A 11 -10.024 -0.434 3.083 1.00 0.00 C ATOM 168 CG PRO A 11 -10.833 -0.611 4.328 1.00 0.00 C ATOM 169 CD PRO A 11 -10.021 -1.463 5.269 1.00 0.00 C ATOM 0 HA PRO A 11 -7.913 -0.956 2.790 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.235 0.524 2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.251 -1.209 2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.059 0.354 4.781 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.787 -1.088 4.103 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.124 -1.127 6.301 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.341 -2.505 5.240 1.00 0.00 H new ATOM 177 N VAL A 12 -7.808 1.671 2.806 1.00 0.00 N ATOM 178 CA VAL A 12 -7.267 3.044 3.024 1.00 0.00 C ATOM 179 C VAL A 12 -8.305 4.093 2.614 1.00 0.00 C ATOM 180 O VAL A 12 -8.898 4.011 1.555 1.00 0.00 O ATOM 181 CB VAL A 12 -6.024 3.143 2.131 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.246 1.825 2.173 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.446 3.440 0.689 1.00 0.00 C ATOM 0 H VAL A 12 -7.992 1.425 1.833 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.025 3.224 4.072 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.387 3.949 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.365 1.902 1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.937 1.617 3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.882 1.015 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.560 3.510 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.089 2.638 0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.990 4.384 0.656 1.00 0.00 H new ATOM 193 N LEU A 13 -8.524 5.079 3.433 1.00 0.00 N ATOM 194 CA LEU A 13 -9.515 6.130 3.073 1.00 0.00 C ATOM 195 C LEU A 13 -8.798 7.396 2.602 1.00 0.00 C ATOM 196 O LEU A 13 -8.169 8.090 3.375 1.00 0.00 O ATOM 197 CB LEU A 13 -10.297 6.398 4.356 1.00 0.00 C ATOM 198 CG LEU A 13 -11.204 5.204 4.663 1.00 0.00 C ATOM 199 CD1 LEU A 13 -11.975 4.807 3.402 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.350 4.024 5.130 1.00 0.00 C ATOM 0 H LEU A 13 -8.062 5.204 4.334 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.169 5.817 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.609 6.568 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.895 7.303 4.247 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.910 5.477 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.620 3.957 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.584 5.647 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.271 4.534 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.994 3.173 5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.644 3.752 4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.802 4.305 6.029 1.00 0.00 H new ATOM 212 N SER A 14 -8.890 7.703 1.338 1.00 0.00 N ATOM 213 CA SER A 14 -8.216 8.925 0.815 1.00 0.00 C ATOM 214 C SER A 14 -8.743 9.256 -0.581 1.00 0.00 C ATOM 215 O SER A 14 -8.937 8.383 -1.404 1.00 0.00 O ATOM 216 CB SER A 14 -6.732 8.564 0.758 1.00 0.00 C ATOM 217 OG SER A 14 -6.243 8.379 2.080 1.00 0.00 O ATOM 0 H SER A 14 -9.403 7.160 0.644 1.00 0.00 H new ATOM 0 HA SER A 14 -8.397 9.800 1.440 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.589 7.655 0.174 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.172 9.355 0.258 1.00 0.00 H new ATOM 0 HG SER A 14 -6.871 8.775 2.720 1.00 0.00 H new ATOM 223 N GLU A 15 -8.977 10.510 -0.858 1.00 0.00 N ATOM 224 CA GLU A 15 -9.491 10.889 -2.203 1.00 0.00 C ATOM 225 C GLU A 15 -8.736 10.119 -3.290 1.00 0.00 C ATOM 226 O GLU A 15 -9.327 9.576 -4.204 1.00 0.00 O ATOM 227 CB GLU A 15 -9.223 12.390 -2.323 1.00 0.00 C ATOM 228 CG GLU A 15 -9.993 13.135 -1.232 1.00 0.00 C ATOM 229 CD GLU A 15 -10.478 14.480 -1.780 1.00 0.00 C ATOM 230 OE1 GLU A 15 -9.753 15.076 -2.558 1.00 0.00 O ATOM 231 OE2 GLU A 15 -11.566 14.890 -1.409 1.00 0.00 O ATOM 0 H GLU A 15 -8.835 11.286 -0.212 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.549 10.655 -2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.155 12.588 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.528 12.747 -3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.842 12.538 -0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.354 13.293 -0.363 1.00 0.00 H new ATOM 238 N LYS A 16 -7.436 10.069 -3.199 1.00 0.00 N ATOM 239 CA LYS A 16 -6.645 9.337 -4.223 1.00 0.00 C ATOM 240 C LYS A 16 -7.146 7.895 -4.348 1.00 0.00 C ATOM 241 O LYS A 16 -6.888 7.220 -5.325 1.00 0.00 O ATOM 242 CB LYS A 16 -5.206 9.363 -3.706 1.00 0.00 C ATOM 243 CG LYS A 16 -4.298 10.008 -4.755 1.00 0.00 C ATOM 244 CD LYS A 16 -3.371 11.018 -4.076 1.00 0.00 C ATOM 245 CE LYS A 16 -2.357 10.275 -3.203 1.00 0.00 C ATOM 246 NZ LYS A 16 -1.438 9.606 -4.166 1.00 0.00 N ATOM 0 H LYS A 16 -6.888 10.505 -2.458 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.731 9.789 -5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.154 9.922 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.868 8.350 -3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.710 9.243 -5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.900 10.505 -5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.852 11.614 -4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.953 11.710 -3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.816 10.963 -2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.850 9.548 -2.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.497 9.506 -3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.811 8.665 -4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.364 10.179 -5.031 1.00 0.00 H new ATOM 260 N ALA A 17 -7.867 7.422 -3.369 1.00 0.00 N ATOM 261 CA ALA A 17 -8.391 6.029 -3.433 1.00 0.00 C ATOM 262 C ALA A 17 -9.868 6.050 -3.831 1.00 0.00 C ATOM 263 O ALA A 17 -10.286 5.356 -4.735 1.00 0.00 O ATOM 264 CB ALA A 17 -8.218 5.472 -2.019 1.00 0.00 C ATOM 0 H ALA A 17 -8.116 7.941 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.869 5.419 -4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.583 4.445 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.163 5.491 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.785 6.082 -1.316 1.00 0.00 H new ATOM 270 N TYR A 18 -10.660 6.852 -3.170 1.00 0.00 N ATOM 271 CA TYR A 18 -12.106 6.920 -3.526 1.00 0.00 C ATOM 272 C TYR A 18 -12.252 7.333 -4.991 1.00 0.00 C ATOM 273 O TYR A 18 -13.011 6.748 -5.738 1.00 0.00 O ATOM 274 CB TYR A 18 -12.697 7.978 -2.595 1.00 0.00 C ATOM 275 CG TYR A 18 -13.315 7.289 -1.401 1.00 0.00 C ATOM 276 CD1 TYR A 18 -14.297 6.310 -1.594 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.905 7.626 -0.106 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.869 5.666 -0.490 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.478 6.981 0.998 1.00 0.00 C ATOM 280 CZ TYR A 18 -14.459 6.002 0.806 1.00 0.00 C ATOM 281 OH TYR A 18 -15.023 5.367 1.893 1.00 0.00 O ATOM 0 H TYR A 18 -10.370 7.459 -2.404 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.615 5.963 -3.411 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.920 8.671 -2.270 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.449 8.566 -3.122 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.613 6.052 -2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.148 8.382 0.042 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -15.626 4.910 -0.638 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.162 7.240 1.998 1.00 0.00 H new ATOM 0 HH TYR A 18 -15.332 4.476 1.627 1.00 0.00 H new ATOM 291 N ALA A 19 -11.508 8.319 -5.415 1.00 0.00 N ATOM 292 CA ALA A 19 -11.583 8.744 -6.841 1.00 0.00 C ATOM 293 C ALA A 19 -11.099 7.593 -7.727 1.00 0.00 C ATOM 294 O ALA A 19 -11.297 7.584 -8.926 1.00 0.00 O ATOM 295 CB ALA A 19 -10.646 9.947 -6.953 1.00 0.00 C ATOM 0 H ALA A 19 -10.854 8.847 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.594 9.002 -7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.649 10.316 -7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.986 10.736 -6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.635 9.647 -6.678 1.00 0.00 H new ATOM 301 N GLY A 20 -10.492 6.606 -7.125 1.00 0.00 N ATOM 302 CA GLY A 20 -10.013 5.424 -7.888 1.00 0.00 C ATOM 303 C GLY A 20 -11.059 4.336 -7.709 1.00 0.00 C ATOM 304 O GLY A 20 -11.416 3.632 -8.633 1.00 0.00 O ATOM 0 H GLY A 20 -10.307 6.571 -6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.886 5.669 -8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.042 5.092 -7.519 1.00 0.00 H new ATOM 308 N PHE A 21 -11.589 4.230 -6.520 1.00 0.00 N ATOM 309 CA PHE A 21 -12.654 3.227 -6.271 1.00 0.00 C ATOM 310 C PHE A 21 -13.707 3.389 -7.362 1.00 0.00 C ATOM 311 O PHE A 21 -14.441 2.481 -7.693 1.00 0.00 O ATOM 312 CB PHE A 21 -13.256 3.612 -4.919 1.00 0.00 C ATOM 313 CG PHE A 21 -12.390 3.115 -3.784 1.00 0.00 C ATOM 314 CD1 PHE A 21 -11.001 3.013 -3.942 1.00 0.00 C ATOM 315 CD2 PHE A 21 -12.982 2.767 -2.565 1.00 0.00 C ATOM 316 CE1 PHE A 21 -10.210 2.562 -2.880 1.00 0.00 C ATOM 317 CE2 PHE A 21 -12.190 2.315 -1.504 1.00 0.00 C ATOM 318 CZ PHE A 21 -10.803 2.213 -1.662 1.00 0.00 C ATOM 0 H PHE A 21 -11.328 4.796 -5.713 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.290 2.200 -6.272 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -13.358 4.695 -4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.258 3.192 -4.829 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.542 3.282 -4.882 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -14.052 2.847 -2.443 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.140 2.483 -3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.648 2.045 -0.564 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.191 1.865 -0.843 1.00 0.00 H new ATOM 328 N ALA A 22 -13.779 4.572 -7.909 1.00 0.00 N ATOM 329 CA ALA A 22 -14.768 4.861 -8.973 1.00 0.00 C ATOM 330 C ALA A 22 -14.884 3.680 -9.940 1.00 0.00 C ATOM 331 O ALA A 22 -15.930 3.430 -10.507 1.00 0.00 O ATOM 332 CB ALA A 22 -14.218 6.090 -9.696 1.00 0.00 C ATOM 0 H ALA A 22 -13.182 5.360 -7.656 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.766 5.031 -8.568 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.895 6.371 -10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.130 6.917 -8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.236 5.860 -10.110 1.00 0.00 H new ATOM 338 N GLU A 23 -13.814 2.962 -10.143 1.00 0.00 N ATOM 339 CA GLU A 23 -13.862 1.808 -11.086 1.00 0.00 C ATOM 340 C GLU A 23 -13.909 0.482 -10.320 1.00 0.00 C ATOM 341 O GLU A 23 -13.982 -0.581 -10.906 1.00 0.00 O ATOM 342 CB GLU A 23 -12.572 1.915 -11.901 1.00 0.00 C ATOM 343 CG GLU A 23 -12.598 0.898 -13.043 1.00 0.00 C ATOM 344 CD GLU A 23 -13.257 1.527 -14.272 1.00 0.00 C ATOM 345 OE1 GLU A 23 -12.560 2.199 -15.014 1.00 0.00 O ATOM 346 OE2 GLU A 23 -14.447 1.325 -14.451 1.00 0.00 O ATOM 0 H GLU A 23 -12.910 3.123 -9.698 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.751 1.831 -11.717 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.466 2.923 -12.301 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.709 1.734 -11.260 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.584 0.580 -13.284 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.148 0.007 -12.738 1.00 0.00 H new ATOM 353 N GLY A 24 -13.876 0.533 -9.018 1.00 0.00 N ATOM 354 CA GLY A 24 -13.923 -0.718 -8.225 1.00 0.00 C ATOM 355 C GLY A 24 -12.526 -1.049 -7.696 1.00 0.00 C ATOM 356 O GLY A 24 -12.293 -2.111 -7.156 1.00 0.00 O ATOM 0 H GLY A 24 -13.818 1.392 -8.471 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.620 -0.607 -7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.292 -1.537 -8.842 1.00 0.00 H new ATOM 360 N LYS A 25 -11.596 -0.146 -7.844 1.00 0.00 N ATOM 361 CA LYS A 25 -10.215 -0.408 -7.345 1.00 0.00 C ATOM 362 C LYS A 25 -10.141 -0.099 -5.847 1.00 0.00 C ATOM 363 O LYS A 25 -10.596 0.935 -5.400 1.00 0.00 O ATOM 364 CB LYS A 25 -9.325 0.551 -8.138 1.00 0.00 C ATOM 365 CG LYS A 25 -9.304 0.133 -9.610 1.00 0.00 C ATOM 366 CD LYS A 25 -7.886 0.287 -10.165 1.00 0.00 C ATOM 367 CE LYS A 25 -7.953 0.815 -11.600 1.00 0.00 C ATOM 368 NZ LYS A 25 -6.667 1.537 -11.802 1.00 0.00 N ATOM 0 H LYS A 25 -11.732 0.762 -8.289 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.909 -1.446 -7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.698 1.571 -8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.313 0.543 -7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.635 -0.901 -9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.999 0.747 -10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.312 0.972 -9.541 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.369 -0.673 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.066 0.001 -12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.806 1.480 -11.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.636 1.929 -12.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.591 2.310 -11.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.874 0.877 -11.672 1.00 0.00 H new ATOM 382 N TYR A 26 -9.592 -0.987 -5.059 1.00 0.00 N ATOM 383 CA TYR A 26 -9.526 -0.719 -3.593 1.00 0.00 C ATOM 384 C TYR A 26 -8.102 -0.862 -3.047 1.00 0.00 C ATOM 385 O TYR A 26 -7.582 -1.951 -2.906 1.00 0.00 O ATOM 386 CB TYR A 26 -10.445 -1.764 -2.960 1.00 0.00 C ATOM 387 CG TYR A 26 -11.831 -1.637 -3.545 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.625 -0.529 -3.229 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.322 -2.627 -4.405 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.910 -0.411 -3.770 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.607 -2.509 -4.947 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.401 -1.400 -4.630 1.00 0.00 C ATOM 393 OH TYR A 26 -15.668 -1.284 -5.164 1.00 0.00 O ATOM 0 H TYR A 26 -9.192 -1.875 -5.363 1.00 0.00 H new ATOM 0 HA TYR A 26 -9.830 0.303 -3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.053 -2.765 -3.140 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.481 -1.625 -1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.246 0.236 -2.567 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.709 -3.482 -4.650 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.523 0.443 -3.524 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.986 -3.273 -5.610 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.767 -1.910 -5.911 1.00 0.00 H new ATOM 403 N THR A 27 -7.487 0.240 -2.710 1.00 0.00 N ATOM 404 CA THR A 27 -6.115 0.214 -2.140 1.00 0.00 C ATOM 405 C THR A 27 -6.193 -0.242 -0.683 1.00 0.00 C ATOM 406 O THR A 27 -6.872 0.357 0.126 1.00 0.00 O ATOM 407 CB THR A 27 -5.634 1.664 -2.222 1.00 0.00 C ATOM 408 OG1 THR A 27 -5.811 2.146 -3.547 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.156 1.738 -1.843 1.00 0.00 C ATOM 0 H THR A 27 -7.888 1.173 -2.809 1.00 0.00 H new ATOM 0 HA THR A 27 -5.443 -0.465 -2.665 1.00 0.00 H new ATOM 0 HB THR A 27 -6.213 2.277 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.965 2.516 -3.876 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.816 2.772 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.022 1.370 -0.826 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.573 1.125 -2.530 1.00 0.00 H new ATOM 417 N PHE A 28 -5.520 -1.300 -0.341 1.00 0.00 N ATOM 418 CA PHE A 28 -5.581 -1.792 1.061 1.00 0.00 C ATOM 419 C PHE A 28 -4.208 -1.710 1.719 1.00 0.00 C ATOM 420 O PHE A 28 -3.201 -1.597 1.058 1.00 0.00 O ATOM 421 CB PHE A 28 -6.033 -3.247 0.947 1.00 0.00 C ATOM 422 CG PHE A 28 -7.422 -3.367 1.516 1.00 0.00 C ATOM 423 CD1 PHE A 28 -7.597 -3.531 2.892 1.00 0.00 C ATOM 424 CD2 PHE A 28 -8.533 -3.293 0.668 1.00 0.00 C ATOM 425 CE1 PHE A 28 -8.888 -3.624 3.426 1.00 0.00 C ATOM 426 CE2 PHE A 28 -9.825 -3.381 1.202 1.00 0.00 C ATOM 427 CZ PHE A 28 -10.002 -3.546 2.581 1.00 0.00 C ATOM 0 H PHE A 28 -4.931 -1.846 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.257 -1.197 1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.023 -3.565 -0.095 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.346 -3.899 1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.737 -3.586 3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.394 -3.168 -0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.025 -3.756 4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.684 -3.322 0.550 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.998 -3.613 2.993 1.00 0.00 H new ATOM 437 N TRP A 29 -4.164 -1.799 3.017 1.00 0.00 N ATOM 438 CA TRP A 29 -2.862 -1.760 3.725 1.00 0.00 C ATOM 439 C TRP A 29 -2.470 -3.196 3.998 1.00 0.00 C ATOM 440 O TRP A 29 -3.226 -3.945 4.578 1.00 0.00 O ATOM 441 CB TRP A 29 -3.130 -1.012 5.034 1.00 0.00 C ATOM 442 CG TRP A 29 -3.100 0.462 4.787 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.188 1.265 4.745 1.00 0.00 C ATOM 444 CD2 TRP A 29 -1.948 1.323 4.551 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.778 2.563 4.499 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.406 2.649 4.371 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.563 1.084 4.476 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.522 3.702 4.127 1.00 0.00 C ATOM 449 CZ3 TRP A 29 0.329 2.140 4.229 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.150 3.447 4.055 1.00 0.00 C ATOM 0 H TRP A 29 -4.981 -1.898 3.620 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.065 -1.271 3.165 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.099 -1.303 5.439 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.380 -1.281 5.778 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.210 0.945 4.881 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.411 3.359 4.422 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.184 0.082 4.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.896 4.706 3.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.390 1.945 4.173 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.541 4.255 3.866 1.00 0.00 H new ATOM 461 N VAL A 30 -1.336 -3.623 3.554 1.00 0.00 N ATOM 462 CA VAL A 30 -1.000 -5.037 3.777 1.00 0.00 C ATOM 463 C VAL A 30 0.503 -5.258 3.870 1.00 0.00 C ATOM 464 O VAL A 30 1.301 -4.420 3.499 1.00 0.00 O ATOM 465 CB VAL A 30 -1.590 -5.727 2.560 1.00 0.00 C ATOM 466 CG1 VAL A 30 -1.161 -4.997 1.285 1.00 0.00 C ATOM 467 CG2 VAL A 30 -1.107 -7.153 2.510 1.00 0.00 C ATOM 0 H VAL A 30 -0.640 -3.067 3.056 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.391 -5.420 4.720 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.678 -5.710 2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.589 -5.499 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.515 -3.967 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.074 -5.005 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.530 -7.650 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.019 -7.167 2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.422 -7.676 3.413 1.00 0.00 H new ATOM 477 N HIS A 31 0.880 -6.393 4.373 1.00 0.00 N ATOM 478 CA HIS A 31 2.329 -6.714 4.516 1.00 0.00 C ATOM 479 C HIS A 31 3.056 -6.477 3.191 1.00 0.00 C ATOM 480 O HIS A 31 2.540 -6.782 2.136 1.00 0.00 O ATOM 481 CB HIS A 31 2.371 -8.195 4.892 1.00 0.00 C ATOM 482 CG HIS A 31 2.760 -8.334 6.338 1.00 0.00 C ATOM 483 ND1 HIS A 31 1.886 -8.035 7.371 1.00 0.00 N ATOM 484 CD2 HIS A 31 3.925 -8.741 6.939 1.00 0.00 C ATOM 485 CE1 HIS A 31 2.533 -8.265 8.528 1.00 0.00 C ATOM 486 NE2 HIS A 31 3.780 -8.695 8.322 1.00 0.00 N ATOM 0 H HIS A 31 0.244 -7.122 4.696 1.00 0.00 H new ATOM 0 HA HIS A 31 2.819 -6.089 5.263 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.397 -8.652 4.721 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.086 -8.722 4.260 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.819 -9.050 6.417 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.096 -8.119 9.505 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.476 -8.938 9.027 1.00 0.00 H new ATOM 494 N PRO A 32 4.241 -5.941 3.297 1.00 0.00 N ATOM 495 CA PRO A 32 5.063 -5.657 2.095 1.00 0.00 C ATOM 496 C PRO A 32 5.589 -6.960 1.501 1.00 0.00 C ATOM 497 O PRO A 32 6.736 -7.317 1.678 1.00 0.00 O ATOM 498 CB PRO A 32 6.205 -4.811 2.638 1.00 0.00 C ATOM 499 CG PRO A 32 6.307 -5.178 4.084 1.00 0.00 C ATOM 500 CD PRO A 32 4.921 -5.553 4.537 1.00 0.00 C ATOM 0 HA PRO A 32 4.510 -5.157 1.300 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.136 -5.020 2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.001 -3.747 2.514 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.998 -6.010 4.224 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.692 -4.342 4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.943 -6.373 5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.419 -4.717 5.024 1.00 0.00 H new ATOM 508 N LYS A 33 4.753 -7.682 0.818 1.00 0.00 N ATOM 509 CA LYS A 33 5.197 -8.976 0.234 1.00 0.00 C ATOM 510 C LYS A 33 4.035 -9.646 -0.498 1.00 0.00 C ATOM 511 O LYS A 33 4.216 -10.320 -1.492 1.00 0.00 O ATOM 512 CB LYS A 33 5.626 -9.818 1.438 1.00 0.00 C ATOM 513 CG LYS A 33 4.633 -9.618 2.592 1.00 0.00 C ATOM 514 CD LYS A 33 4.030 -10.966 2.990 1.00 0.00 C ATOM 515 CE LYS A 33 2.629 -11.098 2.388 1.00 0.00 C ATOM 516 NZ LYS A 33 1.891 -11.992 3.323 1.00 0.00 N ATOM 0 H LYS A 33 3.780 -7.434 0.637 1.00 0.00 H new ATOM 0 HA LYS A 33 6.002 -8.853 -0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.668 -10.871 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.629 -9.532 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.139 -9.168 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.843 -8.930 2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.666 -11.779 2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.980 -11.047 4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.142 -10.126 2.304 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.669 -11.522 1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.920 -12.130 2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.374 -12.912 3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.863 -11.559 4.268 1.00 0.00 H new ATOM 530 N ALA A 34 2.841 -9.471 -0.003 1.00 0.00 N ATOM 531 CA ALA A 34 1.665 -10.104 -0.658 1.00 0.00 C ATOM 532 C ALA A 34 1.693 -9.838 -2.166 1.00 0.00 C ATOM 533 O ALA A 34 1.445 -8.736 -2.616 1.00 0.00 O ATOM 534 CB ALA A 34 0.447 -9.440 -0.017 1.00 0.00 C ATOM 0 H ALA A 34 2.630 -8.917 0.827 1.00 0.00 H new ATOM 0 HA ALA A 34 1.653 -11.186 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.463 -9.855 -0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.455 -9.624 1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.479 -8.366 -0.201 1.00 0.00 H new ATOM 540 N THR A 35 1.991 -10.837 -2.950 1.00 0.00 N ATOM 541 CA THR A 35 2.032 -10.637 -4.428 1.00 0.00 C ATOM 542 C THR A 35 0.665 -10.164 -4.931 1.00 0.00 C ATOM 543 O THR A 35 -0.363 -10.525 -4.394 1.00 0.00 O ATOM 544 CB THR A 35 2.373 -12.012 -5.005 1.00 0.00 C ATOM 545 OG1 THR A 35 1.852 -13.023 -4.155 1.00 0.00 O ATOM 546 CG2 THR A 35 3.891 -12.161 -5.109 1.00 0.00 C ATOM 0 H THR A 35 2.208 -11.782 -2.633 1.00 0.00 H new ATOM 0 HA THR A 35 2.759 -9.882 -4.725 1.00 0.00 H new ATOM 0 HB THR A 35 1.932 -12.110 -5.997 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.585 -13.586 -3.828 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.133 -13.141 -5.520 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.289 -11.385 -5.763 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.335 -12.064 -4.118 1.00 0.00 H new ATOM 554 N LYS A 36 0.644 -9.357 -5.957 1.00 0.00 N ATOM 555 CA LYS A 36 -0.659 -8.862 -6.487 1.00 0.00 C ATOM 556 C LYS A 36 -1.648 -10.025 -6.624 1.00 0.00 C ATOM 557 O LYS A 36 -2.835 -9.869 -6.424 1.00 0.00 O ATOM 558 CB LYS A 36 -0.333 -8.265 -7.858 1.00 0.00 C ATOM 559 CG LYS A 36 -0.001 -6.779 -7.700 1.00 0.00 C ATOM 560 CD LYS A 36 0.720 -6.276 -8.954 1.00 0.00 C ATOM 561 CE LYS A 36 0.279 -4.841 -9.262 1.00 0.00 C ATOM 562 NZ LYS A 36 1.287 -4.330 -10.232 1.00 0.00 N ATOM 0 H LYS A 36 1.471 -9.020 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.122 -8.128 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.510 -8.792 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.180 -8.390 -8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.915 -6.207 -7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.627 -6.628 -6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.799 -6.311 -8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.495 -6.925 -9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.725 -4.819 -9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.256 -4.232 -8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.053 -3.351 -10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.232 -4.357 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.281 -4.925 -11.085 1.00 0.00 H new ATOM 576 N THR A 37 -1.166 -11.193 -6.959 1.00 0.00 N ATOM 577 CA THR A 37 -2.081 -12.362 -7.102 1.00 0.00 C ATOM 578 C THR A 37 -2.510 -12.876 -5.727 1.00 0.00 C ATOM 579 O THR A 37 -3.682 -13.052 -5.458 1.00 0.00 O ATOM 580 CB THR A 37 -1.270 -13.417 -7.831 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.456 -12.798 -8.818 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.214 -14.421 -8.493 1.00 0.00 C ATOM 0 H THR A 37 -0.181 -11.387 -7.139 1.00 0.00 H new ATOM 0 HA THR A 37 -2.991 -12.102 -7.642 1.00 0.00 H new ATOM 0 HB THR A 37 -0.632 -13.939 -7.118 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.068 -13.482 -9.286 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.631 -15.178 -9.016 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.829 -14.899 -7.731 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.856 -13.902 -9.204 1.00 0.00 H new ATOM 590 N GLU A 38 -1.571 -13.120 -4.853 1.00 0.00 N ATOM 591 CA GLU A 38 -1.933 -13.622 -3.497 1.00 0.00 C ATOM 592 C GLU A 38 -2.928 -12.667 -2.841 1.00 0.00 C ATOM 593 O GLU A 38 -3.898 -13.082 -2.241 1.00 0.00 O ATOM 594 CB GLU A 38 -0.617 -13.646 -2.717 1.00 0.00 C ATOM 595 CG GLU A 38 0.047 -15.015 -2.879 1.00 0.00 C ATOM 596 CD GLU A 38 0.527 -15.515 -1.514 1.00 0.00 C ATOM 597 OE1 GLU A 38 -0.264 -16.131 -0.820 1.00 0.00 O ATOM 598 OE2 GLU A 38 1.678 -15.273 -1.188 1.00 0.00 O ATOM 0 H GLU A 38 -0.572 -12.994 -5.019 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.402 -14.605 -3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.048 -12.862 -3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.803 -13.443 -1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.659 -15.725 -3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.888 -14.944 -3.568 1.00 0.00 H new ATOM 605 N ILE A 39 -2.703 -11.391 -2.962 1.00 0.00 N ATOM 606 CA ILE A 39 -3.642 -10.408 -2.357 1.00 0.00 C ATOM 607 C ILE A 39 -5.053 -10.641 -2.909 1.00 0.00 C ATOM 608 O ILE A 39 -6.042 -10.400 -2.249 1.00 0.00 O ATOM 609 CB ILE A 39 -3.100 -9.044 -2.794 1.00 0.00 C ATOM 610 CG1 ILE A 39 -1.927 -8.655 -1.894 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.195 -7.978 -2.686 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.301 -7.355 -2.403 1.00 0.00 C ATOM 0 H ILE A 39 -1.908 -10.985 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.709 -10.488 -1.272 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.769 -9.109 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.270 -8.528 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.182 -9.451 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.796 -7.013 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.033 -8.250 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.537 -7.911 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.465 -7.078 -1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.944 -7.498 -3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.048 -6.561 -2.388 1.00 0.00 H new ATOM 624 N LYS A 40 -5.146 -11.107 -4.119 1.00 0.00 N ATOM 625 CA LYS A 40 -6.482 -11.356 -4.732 1.00 0.00 C ATOM 626 C LYS A 40 -7.255 -12.427 -3.952 1.00 0.00 C ATOM 627 O LYS A 40 -8.428 -12.283 -3.675 1.00 0.00 O ATOM 628 CB LYS A 40 -6.166 -11.863 -6.138 1.00 0.00 C ATOM 629 CG LYS A 40 -7.446 -11.877 -6.976 1.00 0.00 C ATOM 630 CD LYS A 40 -7.087 -12.006 -8.458 1.00 0.00 C ATOM 631 CE LYS A 40 -7.332 -13.445 -8.919 1.00 0.00 C ATOM 632 NZ LYS A 40 -6.000 -13.938 -9.365 1.00 0.00 N ATOM 0 H LYS A 40 -4.350 -11.329 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.104 -10.461 -4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.419 -11.223 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.741 -12.865 -6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.083 -12.708 -6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.013 -10.962 -6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.688 -11.316 -9.050 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.043 -11.735 -8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.728 -14.057 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.058 -13.481 -9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.086 -14.920 -9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.651 -13.340 -10.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.331 -13.898 -8.570 1.00 0.00 H new ATOM 646 N ASN A 41 -6.609 -13.509 -3.627 1.00 0.00 N ATOM 647 CA ASN A 41 -7.298 -14.616 -2.898 1.00 0.00 C ATOM 648 C ASN A 41 -7.878 -14.156 -1.550 1.00 0.00 C ATOM 649 O ASN A 41 -8.909 -14.635 -1.123 1.00 0.00 O ATOM 650 CB ASN A 41 -6.211 -15.666 -2.675 1.00 0.00 C ATOM 651 CG ASN A 41 -6.043 -16.504 -3.945 1.00 0.00 C ATOM 652 OD1 ASN A 41 -6.600 -17.579 -4.054 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.295 -16.056 -4.917 1.00 0.00 N ATOM 0 H ASN A 41 -5.625 -13.679 -3.835 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.147 -14.993 -3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.269 -15.181 -2.419 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.477 -16.308 -1.835 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.178 -16.608 -5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.827 -15.154 -4.826 1.00 0.00 H new ATOM 660 N ALA A 42 -7.227 -13.256 -0.863 1.00 0.00 N ATOM 661 CA ALA A 42 -7.761 -12.817 0.465 1.00 0.00 C ATOM 662 C ALA A 42 -9.007 -11.939 0.311 1.00 0.00 C ATOM 663 O ALA A 42 -10.008 -12.155 0.965 1.00 0.00 O ATOM 664 CB ALA A 42 -6.629 -12.023 1.121 1.00 0.00 C ATOM 0 H ALA A 42 -6.359 -12.809 -1.157 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.065 -13.675 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.952 -11.670 2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.755 -12.664 1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.373 -11.169 0.494 1.00 0.00 H new ATOM 670 N VAL A 43 -8.958 -10.943 -0.528 1.00 0.00 N ATOM 671 CA VAL A 43 -10.147 -10.056 -0.684 1.00 0.00 C ATOM 672 C VAL A 43 -11.300 -10.803 -1.376 1.00 0.00 C ATOM 673 O VAL A 43 -12.454 -10.616 -1.047 1.00 0.00 O ATOM 674 CB VAL A 43 -9.642 -8.860 -1.515 1.00 0.00 C ATOM 675 CG1 VAL A 43 -10.283 -8.840 -2.907 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.994 -7.562 -0.788 1.00 0.00 C ATOM 0 H VAL A 43 -8.154 -10.705 -1.109 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.553 -9.727 0.273 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.563 -8.955 -1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.907 -7.985 -3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.033 -9.760 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.366 -8.761 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.640 -6.711 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.075 -7.494 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.518 -7.554 0.193 1.00 0.00 H new ATOM 686 N GLU A 44 -10.999 -11.639 -2.333 1.00 0.00 N ATOM 687 CA GLU A 44 -12.086 -12.378 -3.040 1.00 0.00 C ATOM 688 C GLU A 44 -12.930 -13.172 -2.040 1.00 0.00 C ATOM 689 O GLU A 44 -14.144 -13.180 -2.107 1.00 0.00 O ATOM 690 CB GLU A 44 -11.368 -13.324 -4.003 1.00 0.00 C ATOM 691 CG GLU A 44 -11.784 -13.001 -5.440 1.00 0.00 C ATOM 692 CD GLU A 44 -12.758 -14.069 -5.942 1.00 0.00 C ATOM 693 OE1 GLU A 44 -12.480 -15.239 -5.737 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.764 -13.699 -6.523 1.00 0.00 O ATOM 0 H GLU A 44 -10.053 -11.842 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.765 -11.704 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.288 -13.221 -3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.615 -14.359 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.253 -12.018 -5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.906 -12.963 -6.084 1.00 0.00 H new ATOM 701 N THR A 45 -12.300 -13.840 -1.114 1.00 0.00 N ATOM 702 CA THR A 45 -13.071 -14.631 -0.112 1.00 0.00 C ATOM 703 C THR A 45 -13.633 -13.709 0.974 1.00 0.00 C ATOM 704 O THR A 45 -14.785 -13.801 1.346 1.00 0.00 O ATOM 705 CB THR A 45 -12.056 -15.606 0.485 1.00 0.00 C ATOM 706 OG1 THR A 45 -11.111 -14.886 1.264 1.00 0.00 O ATOM 707 CG2 THR A 45 -11.335 -16.349 -0.640 1.00 0.00 C ATOM 0 H THR A 45 -11.286 -13.873 -1.007 1.00 0.00 H new ATOM 0 HA THR A 45 -13.921 -15.147 -0.559 1.00 0.00 H new ATOM 0 HB THR A 45 -12.574 -16.327 1.118 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.326 -14.677 0.715 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.612 -17.044 -0.212 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.062 -16.902 -1.235 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.817 -15.632 -1.276 1.00 0.00 H new ATOM 715 N ALA A 46 -12.824 -12.823 1.486 1.00 0.00 N ATOM 716 CA ALA A 46 -13.307 -11.895 2.551 1.00 0.00 C ATOM 717 C ALA A 46 -14.430 -11.002 2.017 1.00 0.00 C ATOM 718 O ALA A 46 -15.514 -10.958 2.565 1.00 0.00 O ATOM 719 CB ALA A 46 -12.086 -11.054 2.924 1.00 0.00 C ATOM 0 H ALA A 46 -11.849 -12.700 1.214 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.714 -12.431 3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.358 -10.344 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.292 -11.706 3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.736 -10.512 2.046 1.00 0.00 H new ATOM 725 N PHE A 47 -14.182 -10.286 0.954 1.00 0.00 N ATOM 726 CA PHE A 47 -15.238 -9.394 0.393 1.00 0.00 C ATOM 727 C PHE A 47 -16.183 -10.191 -0.510 1.00 0.00 C ATOM 728 O PHE A 47 -17.087 -9.647 -1.112 1.00 0.00 O ATOM 729 CB PHE A 47 -14.476 -8.338 -0.407 1.00 0.00 C ATOM 730 CG PHE A 47 -13.667 -7.494 0.548 1.00 0.00 C ATOM 731 CD1 PHE A 47 -12.451 -7.974 1.044 1.00 0.00 C ATOM 732 CD2 PHE A 47 -14.137 -6.236 0.943 1.00 0.00 C ATOM 733 CE1 PHE A 47 -11.702 -7.199 1.936 1.00 0.00 C ATOM 734 CE2 PHE A 47 -13.389 -5.460 1.837 1.00 0.00 C ATOM 735 CZ PHE A 47 -12.171 -5.942 2.332 1.00 0.00 C ATOM 0 H PHE A 47 -13.295 -10.280 0.450 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.858 -8.944 1.169 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.821 -8.816 -1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.172 -7.713 -0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -12.089 -8.945 0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.075 -5.864 0.559 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.763 -7.571 2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -13.751 -4.490 2.145 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.593 -5.343 3.020 1.00 0.00 H new ATOM 745 N LYS A 48 -15.974 -11.478 -0.600 1.00 0.00 N ATOM 746 CA LYS A 48 -16.846 -12.336 -1.454 1.00 0.00 C ATOM 747 C LYS A 48 -17.216 -11.603 -2.737 1.00 0.00 C ATOM 748 O LYS A 48 -18.343 -11.634 -3.188 1.00 0.00 O ATOM 749 CB LYS A 48 -18.090 -12.621 -0.608 1.00 0.00 C ATOM 750 CG LYS A 48 -18.890 -11.330 -0.417 1.00 0.00 C ATOM 751 CD LYS A 48 -20.309 -11.673 0.039 1.00 0.00 C ATOM 752 CE LYS A 48 -21.161 -10.401 0.057 1.00 0.00 C ATOM 753 NZ LYS A 48 -21.380 -10.107 1.501 1.00 0.00 N ATOM 0 H LYS A 48 -15.229 -11.976 -0.113 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.347 -13.258 -1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.708 -13.375 -1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -17.798 -13.026 0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.403 -10.694 0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.922 -10.768 -1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.750 -12.409 -0.633 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -20.285 -12.121 1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -20.651 -9.577 -0.441 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -22.107 -10.552 -0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -21.957 -9.247 1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -21.873 -10.907 1.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.463 -9.962 1.969 1.00 0.00 H new ATOM 767 N VAL A 49 -16.266 -10.942 -3.325 1.00 0.00 N ATOM 768 CA VAL A 49 -16.537 -10.200 -4.578 1.00 0.00 C ATOM 769 C VAL A 49 -15.736 -10.814 -5.727 1.00 0.00 C ATOM 770 O VAL A 49 -15.201 -11.900 -5.618 1.00 0.00 O ATOM 771 CB VAL A 49 -16.089 -8.762 -4.265 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.764 -8.420 -4.955 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.174 -7.797 -4.723 1.00 0.00 C ATOM 0 H VAL A 49 -15.305 -10.884 -2.988 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.581 -10.234 -4.890 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.932 -8.674 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.480 -7.396 -4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.988 -9.104 -4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.881 -8.516 -6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.867 -6.774 -4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.331 -7.909 -5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.102 -8.017 -4.196 1.00 0.00 H new ATOM 783 N LYS A 50 -15.641 -10.119 -6.819 1.00 0.00 N ATOM 784 CA LYS A 50 -14.860 -10.651 -7.969 1.00 0.00 C ATOM 785 C LYS A 50 -13.694 -9.716 -8.280 1.00 0.00 C ATOM 786 O LYS A 50 -13.867 -8.668 -8.870 1.00 0.00 O ATOM 787 CB LYS A 50 -15.835 -10.704 -9.143 1.00 0.00 C ATOM 788 CG LYS A 50 -15.376 -11.784 -10.122 1.00 0.00 C ATOM 789 CD LYS A 50 -14.453 -11.164 -11.173 1.00 0.00 C ATOM 790 CE LYS A 50 -14.259 -12.147 -12.329 1.00 0.00 C ATOM 791 NZ LYS A 50 -13.914 -13.442 -11.677 1.00 0.00 N ATOM 0 H LYS A 50 -16.069 -9.205 -6.968 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.440 -11.635 -7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.842 -10.922 -8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.876 -9.736 -9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.853 -12.577 -9.586 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.239 -12.242 -10.606 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.880 -10.232 -11.543 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.490 -10.918 -10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.165 -12.236 -12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.464 -11.818 -12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.399 -14.044 -12.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.316 -13.263 -10.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.786 -13.924 -11.379 1.00 0.00 H new ATOM 805 N VAL A 51 -12.509 -10.085 -7.888 1.00 0.00 N ATOM 806 CA VAL A 51 -11.336 -9.213 -8.163 1.00 0.00 C ATOM 807 C VAL A 51 -10.902 -9.378 -9.618 1.00 0.00 C ATOM 808 O VAL A 51 -10.552 -10.456 -10.056 1.00 0.00 O ATOM 809 CB VAL A 51 -10.246 -9.709 -7.216 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.952 -8.938 -7.479 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.690 -9.485 -5.769 1.00 0.00 C ATOM 0 H VAL A 51 -12.302 -10.951 -7.390 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.553 -8.156 -8.010 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.074 -10.772 -7.383 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.174 -9.292 -6.803 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.637 -9.097 -8.510 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.122 -7.874 -7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.913 -9.839 -5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.861 -8.422 -5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.612 -10.035 -5.582 1.00 0.00 H new ATOM 821 N VAL A 52 -10.929 -8.318 -10.374 1.00 0.00 N ATOM 822 CA VAL A 52 -10.526 -8.413 -11.803 1.00 0.00 C ATOM 823 C VAL A 52 -9.102 -7.892 -11.990 1.00 0.00 C ATOM 824 O VAL A 52 -8.537 -7.973 -13.062 1.00 0.00 O ATOM 825 CB VAL A 52 -11.523 -7.530 -12.550 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.471 -6.111 -11.996 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.156 -7.489 -14.023 1.00 0.00 C ATOM 0 H VAL A 52 -11.213 -7.389 -10.064 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.535 -9.440 -12.168 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.525 -7.940 -12.423 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.184 -5.485 -12.532 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.725 -6.125 -10.936 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.466 -5.707 -12.123 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.867 -6.859 -14.558 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.152 -7.080 -14.137 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.185 -8.498 -14.434 1.00 0.00 H new ATOM 837 N LYS A 53 -8.514 -7.358 -10.955 1.00 0.00 N ATOM 838 CA LYS A 53 -7.126 -6.833 -11.081 1.00 0.00 C ATOM 839 C LYS A 53 -6.687 -6.172 -9.774 1.00 0.00 C ATOM 840 O LYS A 53 -7.280 -5.213 -9.322 1.00 0.00 O ATOM 841 CB LYS A 53 -7.196 -5.798 -12.202 1.00 0.00 C ATOM 842 CG LYS A 53 -6.523 -6.359 -13.455 1.00 0.00 C ATOM 843 CD LYS A 53 -5.673 -5.268 -14.111 1.00 0.00 C ATOM 844 CE LYS A 53 -4.391 -5.885 -14.671 1.00 0.00 C ATOM 845 NZ LYS A 53 -3.791 -4.821 -15.522 1.00 0.00 N ATOM 0 H LYS A 53 -8.934 -7.263 -10.030 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.406 -7.623 -11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.235 -5.547 -12.416 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.703 -4.877 -11.892 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.898 -7.213 -13.194 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.277 -6.718 -14.156 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.236 -4.786 -14.910 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.429 -4.495 -13.382 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.712 -6.180 -13.870 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.606 -6.781 -15.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.906 -5.170 -15.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.457 -4.566 -16.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.591 -3.983 -14.940 1.00 0.00 H new ATOM 859 N VAL A 54 -5.645 -6.670 -9.167 1.00 0.00 N ATOM 860 CA VAL A 54 -5.169 -6.058 -7.895 1.00 0.00 C ATOM 861 C VAL A 54 -3.838 -5.336 -8.134 1.00 0.00 C ATOM 862 O VAL A 54 -2.880 -5.922 -8.597 1.00 0.00 O ATOM 863 CB VAL A 54 -5.017 -7.233 -6.907 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.606 -7.270 -6.303 1.00 0.00 C ATOM 865 CG2 VAL A 54 -6.029 -7.066 -5.772 1.00 0.00 C ATOM 0 H VAL A 54 -5.105 -7.471 -9.495 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.858 -5.311 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.191 -8.162 -7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.528 -8.108 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.872 -7.389 -7.100 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.414 -6.339 -5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.928 -7.893 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.843 -6.125 -5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.039 -7.061 -6.183 1.00 0.00 H new ATOM 875 N ASN A 55 -3.766 -4.078 -7.807 1.00 0.00 N ATOM 876 CA ASN A 55 -2.491 -3.341 -8.004 1.00 0.00 C ATOM 877 C ASN A 55 -2.027 -2.749 -6.680 1.00 0.00 C ATOM 878 O ASN A 55 -2.680 -1.910 -6.098 1.00 0.00 O ATOM 879 CB ASN A 55 -2.809 -2.240 -9.015 1.00 0.00 C ATOM 880 CG ASN A 55 -3.053 -2.862 -10.390 1.00 0.00 C ATOM 881 OD1 ASN A 55 -4.141 -3.317 -10.680 1.00 0.00 O ATOM 882 ND2 ASN A 55 -2.078 -2.903 -11.257 1.00 0.00 N ATOM 0 H ASN A 55 -4.532 -3.531 -7.414 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.689 -3.987 -8.363 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.689 -1.682 -8.696 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.983 -1.530 -9.067 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.230 -3.317 -12.177 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.164 -2.521 -11.015 1.00 0.00 H new ATOM 889 N THR A 56 -0.902 -3.187 -6.196 1.00 0.00 N ATOM 890 CA THR A 56 -0.402 -2.658 -4.899 1.00 0.00 C ATOM 891 C THR A 56 0.835 -1.786 -5.126 1.00 0.00 C ATOM 892 O THR A 56 1.545 -1.936 -6.101 1.00 0.00 O ATOM 893 CB THR A 56 -0.043 -3.885 -4.030 1.00 0.00 C ATOM 894 OG1 THR A 56 1.347 -3.867 -3.747 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.388 -5.198 -4.746 1.00 0.00 C ATOM 0 H THR A 56 -0.308 -3.887 -6.640 1.00 0.00 H new ATOM 0 HA THR A 56 -1.154 -2.039 -4.410 1.00 0.00 H new ATOM 0 HB THR A 56 -0.624 -3.831 -3.109 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.550 -3.116 -3.152 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.123 -6.041 -4.108 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.457 -5.226 -4.959 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.170 -5.261 -5.680 1.00 0.00 H new ATOM 903 N LEU A 57 1.100 -0.880 -4.228 1.00 0.00 N ATOM 904 CA LEU A 57 2.292 0.000 -4.379 1.00 0.00 C ATOM 905 C LEU A 57 2.984 0.172 -3.024 1.00 0.00 C ATOM 906 O LEU A 57 2.378 0.001 -1.984 1.00 0.00 O ATOM 907 CB LEU A 57 1.741 1.337 -4.876 1.00 0.00 C ATOM 908 CG LEU A 57 0.577 1.773 -3.985 1.00 0.00 C ATOM 909 CD1 LEU A 57 0.536 3.300 -3.910 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.738 1.258 -4.577 1.00 0.00 C ATOM 0 H LEU A 57 0.540 -0.710 -3.392 1.00 0.00 H new ATOM 0 HA LEU A 57 3.030 -0.412 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.526 2.093 -4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.406 1.243 -5.909 1.00 0.00 H new ATOM 0 HG LEU A 57 0.712 1.363 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.294 3.611 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.472 3.669 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.400 3.710 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.569 1.568 -3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.872 1.669 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.711 0.170 -4.633 1.00 0.00 H new ATOM 922 N HIS A 58 4.245 0.502 -3.022 1.00 0.00 N ATOM 923 CA HIS A 58 4.962 0.676 -1.726 1.00 0.00 C ATOM 924 C HIS A 58 4.602 2.017 -1.093 1.00 0.00 C ATOM 925 O HIS A 58 4.774 3.066 -1.681 1.00 0.00 O ATOM 926 CB HIS A 58 6.448 0.623 -2.079 1.00 0.00 C ATOM 927 CG HIS A 58 7.160 -0.284 -1.112 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.509 -0.580 -1.234 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.725 -0.967 -0.003 1.00 0.00 C ATOM 930 CE1 HIS A 58 8.835 -1.407 -0.224 1.00 0.00 C ATOM 931 NE2 HIS A 58 7.784 -1.676 0.556 1.00 0.00 N ATOM 0 H HIS A 58 4.809 0.658 -3.857 1.00 0.00 H new ATOM 0 HA HIS A 58 4.692 -0.093 -1.002 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.578 0.260 -3.098 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.878 1.624 -2.040 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.714 -0.956 0.378 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.826 -1.805 -0.063 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.763 -2.273 1.383 1.00 0.00 H new ATOM 939 N VAL A 59 4.099 1.980 0.106 1.00 0.00 N ATOM 940 CA VAL A 59 3.715 3.237 0.800 1.00 0.00 C ATOM 941 C VAL A 59 4.503 3.383 2.104 1.00 0.00 C ATOM 942 O VAL A 59 4.605 2.458 2.886 1.00 0.00 O ATOM 943 CB VAL A 59 2.224 3.076 1.091 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.424 3.291 -0.195 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.952 1.668 1.629 1.00 0.00 C ATOM 0 H VAL A 59 3.936 1.126 0.639 1.00 0.00 H new ATOM 0 HA VAL A 59 3.925 4.124 0.203 1.00 0.00 H new ATOM 0 HB VAL A 59 1.922 3.813 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.361 3.176 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.612 4.294 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.729 2.556 -0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.888 1.557 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.257 0.930 0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.518 1.514 2.548 1.00 0.00 H new ATOM 1245 N ARG A 76 5.875 -0.213 4.061 1.00 0.00 N ATOM 1246 CA ARG A 76 4.509 -0.797 3.931 1.00 0.00 C ATOM 1247 C ARG A 76 4.021 -0.678 2.485 1.00 0.00 C ATOM 1248 O ARG A 76 4.355 0.257 1.785 1.00 0.00 O ATOM 1249 CB ARG A 76 3.633 0.036 4.867 1.00 0.00 C ATOM 1250 CG ARG A 76 2.158 -0.234 4.565 1.00 0.00 C ATOM 1251 CD ARG A 76 1.890 -1.740 4.629 1.00 0.00 C ATOM 1252 NE ARG A 76 0.888 -1.906 5.719 1.00 0.00 N ATOM 1253 CZ ARG A 76 1.210 -2.544 6.812 1.00 0.00 C ATOM 1254 NH1 ARG A 76 1.458 -3.824 6.772 1.00 0.00 N ATOM 1255 NH2 ARG A 76 1.280 -1.900 7.945 1.00 0.00 N ATOM 0 HA ARG A 76 4.484 -1.856 4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.854 -0.213 5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.853 1.096 4.740 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.527 0.289 5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.902 0.150 3.577 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.506 -2.114 3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.803 -2.295 4.844 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.050 -1.521 5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.400 -4.327 5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.709 -4.322 7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.083 -0.900 7.976 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.531 -2.397 8.799 1.00 0.00 H new ATOM 1269 N LYS A 77 3.238 -1.618 2.032 1.00 0.00 N ATOM 1270 CA LYS A 77 2.733 -1.557 0.629 1.00 0.00 C ATOM 1271 C LYS A 77 1.202 -1.556 0.613 1.00 0.00 C ATOM 1272 O LYS A 77 0.562 -2.229 1.396 1.00 0.00 O ATOM 1273 CB LYS A 77 3.276 -2.819 -0.043 1.00 0.00 C ATOM 1274 CG LYS A 77 2.536 -4.046 0.496 1.00 0.00 C ATOM 1275 CD LYS A 77 2.890 -5.268 -0.353 1.00 0.00 C ATOM 1276 CE LYS A 77 2.206 -5.159 -1.715 1.00 0.00 C ATOM 1277 NZ LYS A 77 3.301 -4.832 -2.670 1.00 0.00 N ATOM 0 H LYS A 77 2.926 -2.426 2.571 1.00 0.00 H new ATOM 0 HA LYS A 77 3.054 -0.651 0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.150 -2.751 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.345 -2.914 0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.810 -4.221 1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.460 -3.874 0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.970 -5.334 -0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.573 -6.180 0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.712 -6.093 -1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.440 -4.383 -1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.914 -4.294 -3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.024 -4.262 -2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.731 -5.712 -3.020 1.00 0.00 H new ATOM 1291 N LYS A 78 0.610 -0.805 -0.277 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.879 -0.760 -0.345 1.00 0.00 C ATOM 1293 C LYS A 78 -1.371 -1.647 -1.493 1.00 0.00 C ATOM 1294 O LYS A 78 -0.672 -1.845 -2.463 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.223 0.705 -0.608 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.648 1.373 0.701 1.00 0.00 C ATOM 1297 CD LYS A 78 -2.347 2.700 0.394 1.00 0.00 C ATOM 1298 CE LYS A 78 -1.630 3.836 1.127 1.00 0.00 C ATOM 1299 NZ LYS A 78 -1.473 4.912 0.108 1.00 0.00 N ATOM 0 H LYS A 78 1.093 -0.221 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.350 -1.125 0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.361 1.222 -1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.026 0.775 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.318 0.716 1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.777 1.546 1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.342 2.886 -0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.391 2.654 0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.211 4.183 1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.663 3.510 1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.886 5.677 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.015 4.522 -0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.409 5.289 -0.146 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.557 -2.199 -1.391 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.061 -3.086 -2.488 1.00 0.00 C ATOM 1315 C ALA A 79 -4.347 -2.550 -3.109 1.00 0.00 C ATOM 1316 O ALA A 79 -5.361 -2.444 -2.453 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.363 -4.416 -1.824 1.00 0.00 C ATOM 0 H ALA A 79 -3.193 -2.075 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.322 -3.156 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.738 -5.118 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.453 -4.814 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.116 -4.273 -1.049 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.328 -2.256 -4.377 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.566 -1.766 -5.038 1.00 0.00 C ATOM 1325 C ILE A 80 -6.281 -2.934 -5.712 1.00 0.00 C ATOM 1326 O ILE A 80 -5.809 -3.479 -6.685 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.095 -0.759 -6.082 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.222 0.299 -5.407 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.311 -0.087 -6.723 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -4.020 1.470 -6.363 1.00 0.00 C ATOM 0 H ILE A 80 -3.511 -2.334 -4.983 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.264 -1.316 -4.332 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.516 -1.271 -6.851 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.694 0.643 -4.487 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.259 -0.130 -5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.977 0.633 -7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.934 -0.843 -7.201 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.889 0.428 -5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.398 2.227 -5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.530 1.118 -7.271 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.987 1.903 -6.617 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.414 -3.325 -5.205 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.146 -4.465 -5.824 1.00 0.00 C ATOM 1344 C VAL A 81 -9.270 -3.948 -6.720 1.00 0.00 C ATOM 1345 O VAL A 81 -10.113 -3.184 -6.291 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.724 -5.256 -4.647 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -9.093 -6.665 -5.114 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.685 -5.350 -3.525 1.00 0.00 C ATOM 0 H VAL A 81 -7.865 -2.907 -4.391 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.496 -5.079 -6.448 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.613 -4.747 -4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.505 -7.229 -4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.836 -6.602 -5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.202 -7.169 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.101 -5.914 -2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.794 -5.856 -3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.420 -4.347 -3.190 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.304 -4.361 -7.959 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.384 -3.892 -8.856 1.00 0.00 C ATOM 1360 C GLN A 82 -11.359 -5.026 -9.085 1.00 0.00 C ATOM 1361 O GLN A 82 -10.967 -6.170 -9.208 1.00 0.00 O ATOM 1362 CB GLN A 82 -9.690 -3.536 -10.165 1.00 0.00 C ATOM 1363 CG GLN A 82 -10.730 -3.276 -11.255 1.00 0.00 C ATOM 1364 CD GLN A 82 -10.862 -1.770 -11.488 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -11.609 -1.063 -10.687 1.00 0.00 O flip ATOM 1366 NE2 GLN A 82 -10.278 -1.232 -12.408 1.00 0.00 N flip ATOM 0 H GLN A 82 -8.631 -5.000 -8.382 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.934 -3.045 -8.445 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.067 -2.652 -10.027 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.029 -4.348 -10.468 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.435 -3.773 -12.179 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.692 -3.695 -10.961 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.694 -1.786 -13.034 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.372 -0.227 -12.554 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.616 -4.737 -9.171 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.568 -5.834 -9.426 1.00 0.00 C ATOM 1377 C VAL A 83 -14.224 -5.630 -10.784 1.00 0.00 C ATOM 1378 O VAL A 83 -14.278 -4.535 -11.307 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.601 -5.820 -8.299 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -13.932 -5.430 -6.979 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.714 -4.823 -8.626 1.00 0.00 C ATOM 0 H VAL A 83 -13.021 -3.805 -9.078 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.065 -6.801 -9.445 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.029 -6.818 -8.201 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.676 -5.423 -6.182 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.151 -6.152 -6.740 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.492 -4.437 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.447 -4.818 -7.819 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.288 -3.826 -8.736 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.201 -5.114 -9.557 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.708 -6.679 -11.358 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.351 -6.564 -12.690 1.00 0.00 C ATOM 1393 C ALA A 84 -16.657 -5.780 -12.592 1.00 0.00 C ATOM 1394 O ALA A 84 -17.071 -5.385 -11.520 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.613 -8.001 -13.100 1.00 0.00 C ATOM 0 H ALA A 84 -14.689 -7.620 -10.964 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.731 -6.031 -13.411 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.090 -8.019 -14.080 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.669 -8.544 -13.147 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.268 -8.474 -12.369 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.257 -5.583 -13.727 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.534 -4.838 -13.801 1.00 0.00 C ATOM 1403 C PRO A 85 -19.681 -5.693 -13.260 1.00 0.00 C ATOM 1404 O PRO A 85 -19.730 -6.890 -13.469 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.703 -4.564 -15.292 1.00 0.00 C ATOM 1406 CG PRO A 85 -17.912 -5.622 -15.979 1.00 0.00 C ATOM 1407 CD PRO A 85 -16.804 -6.039 -15.042 1.00 0.00 C ATOM 0 HA PRO A 85 -18.536 -3.924 -13.207 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.753 -4.606 -15.583 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.340 -3.570 -15.553 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.545 -6.474 -16.228 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.501 -5.246 -16.916 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.653 -7.118 -15.059 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.855 -5.580 -15.318 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.600 -5.089 -12.562 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.743 -5.863 -12.001 1.00 0.00 C ATOM 1417 C GLY A 86 -21.591 -5.963 -10.481 1.00 0.00 C ATOM 1418 O GLY A 86 -22.559 -6.097 -9.759 1.00 0.00 O ATOM 0 H GLY A 86 -20.610 -4.090 -12.355 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.685 -5.375 -12.252 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.773 -6.860 -12.441 1.00 0.00 H new ATOM 1422 N GLN A 87 -20.383 -5.898 -9.990 1.00 0.00 N ATOM 1423 CA GLN A 87 -20.170 -5.988 -8.517 1.00 0.00 C ATOM 1424 C GLN A 87 -19.634 -4.661 -7.976 1.00 0.00 C ATOM 1425 O GLN A 87 -19.398 -3.726 -8.716 1.00 0.00 O ATOM 1426 CB GLN A 87 -19.133 -7.096 -8.331 1.00 0.00 C ATOM 1427 CG GLN A 87 -17.984 -6.894 -9.320 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.158 -7.843 -10.507 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -18.408 -7.411 -11.614 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -18.037 -9.129 -10.320 1.00 0.00 N ATOM 0 H GLN A 87 -19.535 -5.786 -10.545 1.00 0.00 H new ATOM 0 HA GLN A 87 -21.095 -6.200 -7.981 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.753 -7.085 -7.309 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.595 -8.071 -8.489 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -17.966 -5.861 -9.667 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -17.030 -7.082 -8.828 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -17.827 -9.492 -9.390 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.152 -9.771 -11.104 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.441 -4.570 -6.690 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.919 -3.303 -6.099 1.00 0.00 C ATOM 1441 C LYS A 88 -18.785 -3.439 -4.580 1.00 0.00 C ATOM 1442 O LYS A 88 -19.741 -3.728 -3.887 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.960 -2.241 -6.454 1.00 0.00 C ATOM 1444 CG LYS A 88 -21.349 -2.724 -6.029 1.00 0.00 C ATOM 1445 CD LYS A 88 -22.419 -1.917 -6.768 1.00 0.00 C ATOM 1446 CE LYS A 88 -23.186 -2.837 -7.719 1.00 0.00 C ATOM 1447 NZ LYS A 88 -23.925 -3.778 -6.829 1.00 0.00 N ATOM 0 H LYS A 88 -19.622 -5.318 -6.021 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.930 -3.048 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.722 -1.302 -5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.944 -2.045 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.460 -3.785 -6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.472 -2.610 -4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -23.105 -1.462 -6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -21.955 -1.104 -7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -23.870 -2.271 -8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -22.508 -3.372 -8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -24.845 -4.009 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -23.371 -4.650 -6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -24.075 -3.333 -5.901 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.608 -3.231 -4.056 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.417 -3.345 -2.581 1.00 0.00 C ATOM 1463 C ILE A 89 -18.043 -2.138 -1.874 1.00 0.00 C ATOM 1464 O ILE A 89 -17.425 -1.103 -1.728 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.902 -3.363 -2.376 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -15.324 -4.652 -2.967 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.587 -3.302 -0.880 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.871 -4.812 -2.516 1.00 0.00 C ATOM 0 H ILE A 89 -16.770 -2.987 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.892 -4.236 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.458 -2.502 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.913 -5.510 -2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.377 -4.622 -4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.507 -3.315 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.999 -2.385 -0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -16.031 -4.163 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.459 -5.729 -2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.287 -3.960 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.831 -4.861 -1.428 1.00 0.00 H new ATOM 1480 N GLU A 90 -19.267 -2.264 -1.441 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.938 -1.125 -0.749 1.00 0.00 C ATOM 1482 C GLU A 90 -19.351 -0.931 0.653 1.00 0.00 C ATOM 1483 O GLU A 90 -19.560 0.083 1.288 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.410 -1.529 -0.662 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.548 -2.770 0.222 1.00 0.00 C ATOM 1486 CD GLU A 90 -23.023 -2.990 0.565 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.862 -2.491 -0.167 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -23.289 -3.652 1.555 1.00 0.00 O ATOM 0 H GLU A 90 -19.833 -3.107 -1.536 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.802 -0.183 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.999 -0.709 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.801 -1.734 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -21.149 -3.643 -0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.966 -2.646 1.135 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.623 -1.898 1.141 1.00 0.00 N ATOM 1496 CA ALA A 91 -18.029 -1.770 2.504 1.00 0.00 C ATOM 1497 C ALA A 91 -17.180 -0.498 2.602 1.00 0.00 C ATOM 1498 O ALA A 91 -16.960 0.031 3.673 1.00 0.00 O ATOM 1499 CB ALA A 91 -17.153 -3.012 2.669 1.00 0.00 C ATOM 0 H ALA A 91 -18.413 -2.771 0.656 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.792 -1.699 3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.678 -2.994 3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -17.770 -3.906 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -16.386 -3.022 1.894 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.700 -0.004 1.493 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.863 1.235 1.531 1.00 0.00 C ATOM 1507 C LEU A 92 -16.669 2.418 0.997 1.00 0.00 C ATOM 1508 O LEU A 92 -16.384 3.562 1.291 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.650 0.974 0.619 1.00 0.00 C ATOM 1510 CG LEU A 92 -14.434 -0.529 0.417 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -13.136 -0.760 -0.358 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -14.344 -1.217 1.780 1.00 0.00 C ATOM 0 H LEU A 92 -16.849 -0.401 0.565 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.548 1.470 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.805 1.457 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.757 1.418 1.058 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.270 -0.944 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.983 -1.830 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.200 -0.269 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.298 -0.346 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.190 -2.287 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.508 -0.802 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.270 -1.054 2.332 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.671 2.150 0.207 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.491 3.257 -0.354 1.00 0.00 C ATOM 1526 C GLU A 93 -19.161 4.048 0.773 1.00 0.00 C ATOM 1527 O GLU A 93 -19.394 5.235 0.658 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.542 2.570 -1.225 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.027 2.466 -2.662 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.526 3.665 -3.471 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -20.721 3.738 -3.709 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -18.705 4.488 -3.840 1.00 0.00 O ATOM 0 H GLU A 93 -17.957 1.212 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 93 -17.890 3.966 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.761 1.577 -0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.474 3.134 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -17.937 2.438 -2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.372 1.538 -3.117 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.476 3.399 1.861 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.133 4.114 2.992 1.00 0.00 C ATOM 1541 C GLY A 94 -19.088 4.480 4.049 1.00 0.00 C ATOM 1542 O GLY A 94 -19.377 5.168 5.008 1.00 0.00 O ATOM 0 H GLY A 94 -19.307 2.405 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.626 5.015 2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.905 3.484 3.433 1.00 0.00 H new ATOM 1546 N LEU A 95 -17.876 4.028 3.882 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.817 4.351 4.880 1.00 0.00 C ATOM 1548 C LEU A 95 -16.592 5.865 4.941 1.00 0.00 C ATOM 1549 O LEU A 95 -15.938 6.369 5.833 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.561 3.642 4.371 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.044 2.686 5.446 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -16.192 1.807 5.944 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.945 1.800 4.854 1.00 0.00 C ATOM 0 H LEU A 95 -17.573 3.449 3.099 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.086 4.029 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.786 3.091 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -14.793 4.374 4.121 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.640 3.262 6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -15.823 1.126 6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.976 2.436 6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.597 1.231 5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.576 1.118 5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.350 1.225 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.126 2.425 4.499 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.130 6.594 4.002 1.00 0.00 N ATOM 1566 CA ILE A 96 -16.946 8.074 4.008 1.00 0.00 C ATOM 1567 C ILE A 96 -17.773 8.704 5.133 1.00 0.00 C ATOM 1568 O ILE A 96 -18.283 7.961 5.954 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.452 8.541 2.643 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -16.518 8.021 1.549 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -17.478 10.070 2.605 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.200 6.877 0.796 1.00 0.00 C ATOM 1573 OXT ILE A 96 -17.880 9.920 5.152 1.00 0.00 O ATOM 0 H ILE A 96 -17.689 6.229 3.231 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.908 8.362 4.178 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.458 8.156 2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.266 8.826 0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -15.583 7.674 1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.839 10.404 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.142 10.442 3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.472 10.455 2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -16.534 6.507 0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -17.429 6.069 1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.123 7.239 0.343 1.00 0.00 H new