USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 559 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 15 LYS NZ :NH3+ -172:sc= 1.85 (180deg=0.00318) USER MOD Set 1.2: A 61 THR OG1 : rot 70:sc= -0.493 USER MOD Single : A 12 GLN : amide:sc= -0.882 X(o=-0.88,f=-0.73) USER MOD Single : A 22 SER OG : rot 180:sc= -1.2 USER MOD Single : A 25 THR OG1 : rot -140:sc= -0.017 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.043 USER MOD Single : A 29 SER OG : rot -170:sc= -0.556 USER MOD Single : A 32 SER OG : rot 102:sc= 1.29 USER MOD Single : A 33 HIS : no HE2:sc= 0.203 K(o=0.2,f=-4.1!) USER MOD Single : A 36 GLN : amide:sc= 0.462 K(o=0.46,f=-0.22) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 32:sc= -0.0116 USER MOD Single : A 46 MET CE :methyl 177:sc= -1.73 (180deg=-1.77) USER MOD Single : A 62 TYR OH : rot 41:sc= 0.672 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0481 USER MOD Single : A 72 MET CE :methyl -159:sc= -2.9 (180deg=-4.48) USER MOD Single : A 73 ASN : amide:sc= 0.73 K(o=0.73,f=-0.65) USER MOD Single : A 77 HIS : no HD1:sc= -0.277 K(o=-0.28,f=-5.5!) USER MOD Single : A 78 LYS NZ :NH3+ 167:sc=-0.00366 (180deg=-0.15) USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= 1.22 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.177 -17.925 -3.846 1.00 71.40 N ATOM 149 CA GLU A 11 -6.267 -17.859 -4.806 1.00 64.42 C ATOM 150 C GLU A 11 -6.466 -19.216 -5.473 1.00 31.22 C ATOM 151 O GLU A 11 -7.554 -19.532 -5.934 1.00 63.21 O ATOM 152 CB GLU A 11 -5.995 -16.781 -5.860 1.00 11.30 C ATOM 153 CG GLU A 11 -7.180 -16.516 -6.776 1.00 51.25 C ATOM 154 CD GLU A 11 -6.902 -15.443 -7.803 1.00 60.42 C ATOM 155 OE1 GLU A 11 -6.827 -14.258 -7.431 1.00 44.15 O ATOM 156 OE2 GLU A 11 -6.777 -15.786 -8.997 1.00 32.22 O ATOM 0 HA GLU A 11 -7.180 -17.594 -4.273 1.00 64.42 H new ATOM 0 HB2 GLU A 11 -5.720 -15.854 -5.357 1.00 11.30 H new ATOM 0 HB3 GLU A 11 -5.139 -17.082 -6.464 1.00 11.30 H new ATOM 0 HG2 GLU A 11 -7.451 -17.440 -7.287 1.00 51.25 H new ATOM 0 HG3 GLU A 11 -8.039 -16.221 -6.174 1.00 51.25 H new ATOM 163 N GLN A 12 -5.410 -20.017 -5.492 1.00 3.23 N ATOM 164 CA GLN A 12 -5.468 -21.355 -6.058 1.00 43.31 C ATOM 165 C GLN A 12 -6.505 -22.215 -5.343 1.00 64.32 C ATOM 166 O GLN A 12 -7.372 -22.810 -5.977 1.00 24.14 O ATOM 167 CB GLN A 12 -4.087 -22.017 -5.976 1.00 54.53 C ATOM 168 CG GLN A 12 -4.102 -23.520 -6.207 1.00 65.05 C ATOM 169 CD GLN A 12 -2.718 -24.134 -6.118 1.00 72.32 C ATOM 170 OE1 GLN A 12 -1.845 -23.630 -5.414 1.00 52.10 O ATOM 171 NE2 GLN A 12 -2.522 -25.248 -6.803 1.00 24.21 N ATOM 0 H GLN A 12 -4.496 -19.760 -5.118 1.00 3.23 H new ATOM 0 HA GLN A 12 -5.766 -21.269 -7.103 1.00 43.31 H new ATOM 0 HB2 GLN A 12 -3.430 -21.554 -6.712 1.00 54.53 H new ATOM 0 HB3 GLN A 12 -3.658 -21.816 -4.995 1.00 54.53 H new ATOM 0 HG2 GLN A 12 -4.753 -23.991 -5.471 1.00 65.05 H new ATOM 0 HG3 GLN A 12 -4.527 -23.729 -7.189 1.00 65.05 H new ATOM 0 HE21 GLN A 12 -3.273 -25.633 -7.376 1.00 24.21 H new ATOM 0 HE22 GLN A 12 -1.620 -25.722 -6.759 1.00 24.21 H new ATOM 180 N LEU A 13 -6.431 -22.256 -4.020 1.00 44.32 N ATOM 181 CA LEU A 13 -7.269 -23.168 -3.261 1.00 22.43 C ATOM 182 C LEU A 13 -8.597 -22.525 -2.873 1.00 40.43 C ATOM 183 O LEU A 13 -9.522 -23.212 -2.437 1.00 73.53 O ATOM 184 CB LEU A 13 -6.503 -23.705 -2.038 1.00 11.44 C ATOM 185 CG LEU A 13 -6.089 -22.699 -0.956 1.00 33.52 C ATOM 186 CD1 LEU A 13 -7.268 -22.268 -0.102 1.00 32.31 C ATOM 187 CD2 LEU A 13 -5.010 -23.315 -0.082 1.00 32.32 C ATOM 0 H LEU A 13 -5.808 -21.676 -3.458 1.00 44.32 H new ATOM 0 HA LEU A 13 -7.516 -24.017 -3.899 1.00 22.43 H new ATOM 0 HB2 LEU A 13 -7.119 -24.470 -1.566 1.00 11.44 H new ATOM 0 HB3 LEU A 13 -5.601 -24.200 -2.398 1.00 11.44 H new ATOM 0 HG LEU A 13 -5.704 -21.808 -1.452 1.00 33.52 H new ATOM 0 HD11 LEU A 13 -6.931 -21.556 0.651 1.00 32.31 H new ATOM 0 HD12 LEU A 13 -8.022 -21.798 -0.733 1.00 32.31 H new ATOM 0 HD13 LEU A 13 -7.699 -23.140 0.390 1.00 32.31 H new ATOM 0 HD21 LEU A 13 -4.714 -22.602 0.688 1.00 32.32 H new ATOM 0 HD22 LEU A 13 -5.396 -24.219 0.390 1.00 32.32 H new ATOM 0 HD23 LEU A 13 -4.145 -23.567 -0.695 1.00 32.32 H new ATOM 199 N ARG A 14 -8.690 -21.210 -3.025 1.00 42.40 N ATOM 200 CA ARG A 14 -9.934 -20.507 -2.740 1.00 33.32 C ATOM 201 C ARG A 14 -10.750 -20.301 -4.013 1.00 23.51 C ATOM 202 O ARG A 14 -11.888 -19.830 -3.961 1.00 44.44 O ATOM 203 CB ARG A 14 -9.675 -19.157 -2.066 1.00 20.54 C ATOM 204 CG ARG A 14 -9.225 -19.273 -0.619 1.00 30.53 C ATOM 205 CD ARG A 14 -9.255 -17.923 0.080 1.00 21.14 C ATOM 206 NE ARG A 14 -8.906 -18.028 1.499 1.00 43.12 N ATOM 207 CZ ARG A 14 -9.100 -17.052 2.392 1.00 4.02 C ATOM 208 NH1 ARG A 14 -9.579 -15.874 2.008 1.00 70.03 N ATOM 209 NH2 ARG A 14 -8.794 -17.246 3.669 1.00 14.03 N ATOM 0 H ARG A 14 -7.926 -20.613 -3.341 1.00 42.40 H new ATOM 0 HA ARG A 14 -10.504 -21.131 -2.052 1.00 33.32 H new ATOM 0 HB2 ARG A 14 -8.915 -18.618 -2.632 1.00 20.54 H new ATOM 0 HB3 ARG A 14 -10.586 -18.560 -2.107 1.00 20.54 H new ATOM 0 HG2 ARG A 14 -9.872 -19.973 -0.090 1.00 30.53 H new ATOM 0 HG3 ARG A 14 -8.215 -19.682 -0.582 1.00 30.53 H new ATOM 0 HD2 ARG A 14 -8.560 -17.244 -0.414 1.00 21.14 H new ATOM 0 HD3 ARG A 14 -10.249 -17.487 -0.017 1.00 21.14 H new ATOM 0 HE ARG A 14 -8.489 -18.900 1.826 1.00 43.12 H new ATOM 0 HH11 ARG A 14 -9.801 -15.709 1.026 1.00 70.03 H new ATOM 0 HH12 ARG A 14 -9.724 -15.134 2.695 1.00 70.03 H new ATOM 0 HH21 ARG A 14 -8.410 -18.141 3.971 1.00 14.03 H new ATOM 0 HH22 ARG A 14 -8.943 -16.500 4.348 1.00 14.03 H new ATOM 223 N LYS A 15 -10.167 -20.638 -5.158 1.00 21.52 N ATOM 224 CA LYS A 15 -10.869 -20.498 -6.424 1.00 53.42 C ATOM 225 C LYS A 15 -11.582 -21.791 -6.779 1.00 74.51 C ATOM 226 O LYS A 15 -11.032 -22.883 -6.629 1.00 13.33 O ATOM 227 CB LYS A 15 -9.907 -20.121 -7.555 1.00 31.34 C ATOM 228 CG LYS A 15 -10.609 -19.722 -8.845 1.00 41.15 C ATOM 229 CD LYS A 15 -9.632 -19.577 -10.002 1.00 14.35 C ATOM 230 CE LYS A 15 -8.532 -18.572 -9.708 1.00 41.14 C ATOM 231 NZ LYS A 15 -9.057 -17.199 -9.485 1.00 23.21 N ATOM 0 H LYS A 15 -9.219 -21.007 -5.234 1.00 21.52 H new ATOM 0 HA LYS A 15 -11.600 -19.698 -6.308 1.00 53.42 H new ATOM 0 HB2 LYS A 15 -9.276 -19.296 -7.224 1.00 31.34 H new ATOM 0 HB3 LYS A 15 -9.248 -20.965 -7.756 1.00 31.34 H new ATOM 0 HG2 LYS A 15 -11.360 -20.471 -9.096 1.00 41.15 H new ATOM 0 HG3 LYS A 15 -11.136 -18.780 -8.695 1.00 41.15 H new ATOM 0 HD2 LYS A 15 -9.185 -20.547 -10.221 1.00 14.35 H new ATOM 0 HD3 LYS A 15 -10.174 -19.267 -10.895 1.00 14.35 H new ATOM 0 HE2 LYS A 15 -7.978 -18.893 -8.826 1.00 41.14 H new ATOM 0 HE3 LYS A 15 -7.827 -18.557 -10.539 1.00 41.14 H new ATOM 0 HZ1 LYS A 15 -8.263 -16.530 -9.423 1.00 23.21 H new ATOM 0 HZ2 LYS A 15 -9.675 -16.931 -10.277 1.00 23.21 H new ATOM 0 HZ3 LYS A 15 -9.600 -17.175 -8.598 1.00 23.21 H new ATOM 245 N LEU A 16 -12.814 -21.661 -7.228 1.00 22.44 N ATOM 246 CA LEU A 16 -13.576 -22.791 -7.705 1.00 34.24 C ATOM 247 C LEU A 16 -13.468 -22.914 -9.218 1.00 10.32 C ATOM 248 O LEU A 16 -13.683 -21.946 -9.951 1.00 31.41 O ATOM 249 CB LEU A 16 -15.042 -22.655 -7.295 1.00 55.13 C ATOM 250 CG LEU A 16 -15.475 -23.553 -6.136 1.00 43.43 C ATOM 251 CD1 LEU A 16 -16.974 -23.466 -5.922 1.00 21.15 C ATOM 252 CD2 LEU A 16 -15.062 -24.990 -6.386 1.00 50.30 C ATOM 0 H LEU A 16 -13.311 -20.771 -7.271 1.00 22.44 H new ATOM 0 HA LEU A 16 -13.164 -23.694 -7.253 1.00 34.24 H new ATOM 0 HB2 LEU A 16 -15.232 -21.617 -7.021 1.00 55.13 H new ATOM 0 HB3 LEU A 16 -15.668 -22.877 -8.160 1.00 55.13 H new ATOM 0 HG LEU A 16 -14.975 -23.203 -5.233 1.00 43.43 H new ATOM 0 HD11 LEU A 16 -17.261 -24.113 -5.093 1.00 21.15 H new ATOM 0 HD12 LEU A 16 -17.250 -22.437 -5.692 1.00 21.15 H new ATOM 0 HD13 LEU A 16 -17.490 -23.786 -6.827 1.00 21.15 H new ATOM 0 HD21 LEU A 16 -15.380 -25.611 -5.549 1.00 50.30 H new ATOM 0 HD22 LEU A 16 -15.530 -25.349 -7.303 1.00 50.30 H new ATOM 0 HD23 LEU A 16 -13.978 -25.045 -6.487 1.00 50.30 H new ATOM 264 N PHE A 17 -13.109 -24.103 -9.664 1.00 42.24 N ATOM 265 CA PHE A 17 -13.047 -24.423 -11.077 1.00 62.22 C ATOM 266 C PHE A 17 -14.402 -24.943 -11.532 1.00 21.45 C ATOM 267 O PHE A 17 -14.847 -26.003 -11.087 1.00 20.15 O ATOM 268 CB PHE A 17 -11.955 -25.467 -11.324 1.00 52.44 C ATOM 269 CG PHE A 17 -11.858 -25.948 -12.745 1.00 42.42 C ATOM 270 CD1 PHE A 17 -11.824 -27.302 -13.025 1.00 2.01 C ATOM 271 CD2 PHE A 17 -11.791 -25.050 -13.794 1.00 23.40 C ATOM 272 CE1 PHE A 17 -11.721 -27.751 -14.325 1.00 63.55 C ATOM 273 CE2 PHE A 17 -11.691 -25.491 -15.097 1.00 14.14 C ATOM 274 CZ PHE A 17 -11.654 -26.843 -15.364 1.00 2.31 C ATOM 0 H PHE A 17 -12.851 -24.878 -9.053 1.00 42.24 H new ATOM 0 HA PHE A 17 -12.802 -23.528 -11.649 1.00 62.22 H new ATOM 0 HB2 PHE A 17 -10.994 -25.044 -11.031 1.00 52.44 H new ATOM 0 HB3 PHE A 17 -12.137 -26.324 -10.676 1.00 52.44 H new ATOM 0 HD1 PHE A 17 -11.879 -28.016 -12.216 1.00 2.01 H new ATOM 0 HD2 PHE A 17 -11.817 -23.990 -13.591 1.00 23.40 H new ATOM 0 HE1 PHE A 17 -11.693 -28.811 -14.530 1.00 63.55 H new ATOM 0 HE2 PHE A 17 -11.642 -24.778 -15.907 1.00 14.14 H new ATOM 0 HZ PHE A 17 -11.573 -27.191 -16.383 1.00 2.31 H new ATOM 284 N ILE A 18 -15.060 -24.187 -12.393 1.00 12.32 N ATOM 285 CA ILE A 18 -16.406 -24.522 -12.824 1.00 23.31 C ATOM 286 C ILE A 18 -16.390 -25.048 -14.245 1.00 3.23 C ATOM 287 O ILE A 18 -16.400 -24.274 -15.199 1.00 51.51 O ATOM 288 CB ILE A 18 -17.342 -23.298 -12.757 1.00 23.21 C ATOM 289 CG1 ILE A 18 -17.155 -22.550 -11.437 1.00 54.12 C ATOM 290 CG2 ILE A 18 -18.791 -23.727 -12.924 1.00 65.14 C ATOM 291 CD1 ILE A 18 -17.328 -23.416 -10.209 1.00 4.45 C ATOM 0 H ILE A 18 -14.683 -23.335 -12.808 1.00 12.32 H new ATOM 0 HA ILE A 18 -16.780 -25.290 -12.147 1.00 23.31 H new ATOM 0 HB ILE A 18 -17.085 -22.624 -13.574 1.00 23.21 H new ATOM 0 HG12 ILE A 18 -16.159 -22.108 -11.420 1.00 54.12 H new ATOM 0 HG13 ILE A 18 -17.869 -21.728 -11.393 1.00 54.12 H new ATOM 0 HG21 ILE A 18 -19.438 -22.851 -12.874 1.00 65.14 H new ATOM 0 HG22 ILE A 18 -18.917 -24.216 -13.890 1.00 65.14 H new ATOM 0 HG23 ILE A 18 -19.059 -24.422 -12.128 1.00 65.14 H new ATOM 0 HD11 ILE A 18 -17.180 -22.812 -9.314 1.00 4.45 H new ATOM 0 HD12 ILE A 18 -18.333 -23.838 -10.200 1.00 4.45 H new ATOM 0 HD13 ILE A 18 -16.596 -24.223 -10.227 1.00 4.45 H new ATOM 303 N GLY A 19 -16.353 -26.358 -14.387 1.00 3.42 N ATOM 304 CA GLY A 19 -16.308 -26.943 -15.705 1.00 5.53 C ATOM 305 C GLY A 19 -17.610 -27.610 -16.078 1.00 72.32 C ATOM 306 O GLY A 19 -18.258 -28.234 -15.234 1.00 33.13 O ATOM 0 H GLY A 19 -16.353 -27.026 -13.616 1.00 3.42 H new ATOM 0 HA2 GLY A 19 -16.076 -26.169 -16.436 1.00 5.53 H new ATOM 0 HA3 GLY A 19 -15.501 -27.675 -15.748 1.00 5.53 H new ATOM 310 N GLY A 20 -18.003 -27.466 -17.336 1.00 45.32 N ATOM 311 CA GLY A 20 -19.208 -28.108 -17.812 1.00 75.00 C ATOM 312 C GLY A 20 -20.410 -27.189 -17.775 1.00 24.23 C ATOM 313 O GLY A 20 -21.476 -27.577 -17.303 1.00 73.32 O ATOM 0 H GLY A 20 -17.506 -26.914 -18.036 1.00 45.32 H new ATOM 0 HA2 GLY A 20 -19.051 -28.455 -18.833 1.00 75.00 H new ATOM 0 HA3 GLY A 20 -19.410 -28.990 -17.204 1.00 75.00 H new ATOM 317 N LEU A 21 -20.239 -25.970 -18.264 1.00 33.31 N ATOM 318 CA LEU A 21 -21.338 -25.019 -18.338 1.00 62.24 C ATOM 319 C LEU A 21 -21.625 -24.652 -19.786 1.00 3.32 C ATOM 320 O LEU A 21 -20.858 -25.001 -20.685 1.00 23.44 O ATOM 321 CB LEU A 21 -21.055 -23.777 -17.480 1.00 54.11 C ATOM 322 CG LEU A 21 -19.660 -23.164 -17.618 1.00 22.51 C ATOM 323 CD1 LEU A 21 -19.604 -22.176 -18.771 1.00 73.32 C ATOM 324 CD2 LEU A 21 -19.261 -22.488 -16.319 1.00 14.24 C ATOM 0 H LEU A 21 -19.349 -25.616 -18.616 1.00 33.31 H new ATOM 0 HA LEU A 21 -22.232 -25.491 -17.930 1.00 62.24 H new ATOM 0 HB2 LEU A 21 -21.791 -23.013 -17.730 1.00 54.11 H new ATOM 0 HB3 LEU A 21 -21.212 -24.040 -16.434 1.00 54.11 H new ATOM 0 HG LEU A 21 -18.954 -23.966 -17.834 1.00 22.51 H new ATOM 0 HD11 LEU A 21 -18.600 -21.758 -18.843 1.00 73.32 H new ATOM 0 HD12 LEU A 21 -19.852 -22.688 -19.701 1.00 73.32 H new ATOM 0 HD13 LEU A 21 -20.320 -21.373 -18.597 1.00 73.32 H new ATOM 0 HD21 LEU A 21 -18.267 -22.054 -16.425 1.00 14.24 H new ATOM 0 HD22 LEU A 21 -19.977 -21.701 -16.084 1.00 14.24 H new ATOM 0 HD23 LEU A 21 -19.252 -23.223 -15.514 1.00 14.24 H new ATOM 336 N SER A 22 -22.726 -23.957 -20.012 1.00 53.14 N ATOM 337 CA SER A 22 -23.179 -23.679 -21.363 1.00 51.04 C ATOM 338 C SER A 22 -22.417 -22.498 -21.966 1.00 13.35 C ATOM 339 O SER A 22 -21.735 -21.756 -21.259 1.00 73.55 O ATOM 340 CB SER A 22 -24.675 -23.380 -21.358 1.00 41.12 C ATOM 341 OG SER A 22 -25.397 -24.365 -20.638 1.00 31.41 O ATOM 0 H SER A 22 -23.322 -23.575 -19.278 1.00 53.14 H new ATOM 0 HA SER A 22 -22.986 -24.560 -21.975 1.00 51.04 H new ATOM 0 HB2 SER A 22 -24.850 -22.400 -20.913 1.00 41.12 H new ATOM 0 HB3 SER A 22 -25.042 -23.335 -22.383 1.00 41.12 H new ATOM 0 HG SER A 22 -26.352 -24.145 -20.651 1.00 31.41 H new ATOM 347 N PHE A 23 -22.556 -22.308 -23.274 1.00 2.44 N ATOM 348 CA PHE A 23 -21.892 -21.204 -23.963 1.00 21.33 C ATOM 349 C PHE A 23 -22.645 -19.899 -23.739 1.00 43.42 C ATOM 350 O PHE A 23 -22.197 -18.824 -24.146 1.00 32.32 O ATOM 351 CB PHE A 23 -21.777 -21.498 -25.459 1.00 10.20 C ATOM 352 CG PHE A 23 -20.906 -22.681 -25.763 1.00 1.13 C ATOM 353 CD1 PHE A 23 -21.450 -23.949 -25.853 1.00 51.51 C ATOM 354 CD2 PHE A 23 -19.544 -22.524 -25.947 1.00 21.31 C ATOM 355 CE1 PHE A 23 -20.649 -25.042 -26.120 1.00 42.35 C ATOM 356 CE2 PHE A 23 -18.738 -23.611 -26.217 1.00 31.14 C ATOM 357 CZ PHE A 23 -19.291 -24.872 -26.303 1.00 32.22 C ATOM 0 H PHE A 23 -23.122 -22.903 -23.879 1.00 2.44 H new ATOM 0 HA PHE A 23 -20.889 -21.099 -23.550 1.00 21.33 H new ATOM 0 HB2 PHE A 23 -22.773 -21.674 -25.866 1.00 10.20 H new ATOM 0 HB3 PHE A 23 -21.376 -20.620 -25.966 1.00 10.20 H new ATOM 0 HD1 PHE A 23 -22.512 -24.086 -25.713 1.00 51.51 H new ATOM 0 HD2 PHE A 23 -19.106 -21.539 -25.879 1.00 21.31 H new ATOM 0 HE1 PHE A 23 -21.084 -26.028 -26.186 1.00 42.35 H new ATOM 0 HE2 PHE A 23 -17.676 -23.475 -26.361 1.00 31.14 H new ATOM 0 HZ PHE A 23 -18.663 -25.725 -26.513 1.00 32.22 H new ATOM 367 N GLU A 24 -23.787 -20.000 -23.080 1.00 10.43 N ATOM 368 CA GLU A 24 -24.588 -18.836 -22.757 1.00 72.31 C ATOM 369 C GLU A 24 -24.256 -18.371 -21.347 1.00 71.12 C ATOM 370 O GLU A 24 -24.711 -17.320 -20.894 1.00 61.53 O ATOM 371 CB GLU A 24 -26.070 -19.180 -22.876 1.00 65.34 C ATOM 372 CG GLU A 24 -26.401 -19.954 -24.141 1.00 74.52 C ATOM 373 CD GLU A 24 -27.875 -20.266 -24.260 1.00 0.40 C ATOM 374 OE1 GLU A 24 -28.573 -19.592 -25.043 1.00 13.21 O ATOM 375 OE2 GLU A 24 -28.346 -21.187 -23.563 1.00 33.21 O ATOM 0 H GLU A 24 -24.181 -20.884 -22.757 1.00 10.43 H new ATOM 0 HA GLU A 24 -24.365 -18.030 -23.455 1.00 72.31 H new ATOM 0 HB2 GLU A 24 -26.372 -19.767 -22.008 1.00 65.34 H new ATOM 0 HB3 GLU A 24 -26.654 -18.260 -22.857 1.00 65.34 H new ATOM 0 HG2 GLU A 24 -26.084 -19.377 -25.010 1.00 74.52 H new ATOM 0 HG3 GLU A 24 -25.834 -20.885 -24.152 1.00 74.52 H new ATOM 382 N THR A 25 -23.451 -19.172 -20.664 1.00 23.15 N ATOM 383 CA THR A 25 -22.982 -18.843 -19.337 1.00 12.13 C ATOM 384 C THR A 25 -21.851 -17.822 -19.414 1.00 25.01 C ATOM 385 O THR A 25 -20.721 -18.162 -19.766 1.00 30.22 O ATOM 386 CB THR A 25 -22.471 -20.103 -18.618 1.00 72.15 C ATOM 387 OG1 THR A 25 -23.454 -21.146 -18.698 1.00 31.10 O ATOM 388 CG2 THR A 25 -22.152 -19.808 -17.158 1.00 2.31 C ATOM 0 H THR A 25 -23.108 -20.065 -21.018 1.00 23.15 H new ATOM 0 HA THR A 25 -23.818 -18.422 -18.778 1.00 12.13 H new ATOM 0 HB THR A 25 -21.555 -20.428 -19.112 1.00 72.15 H new ATOM 0 HG1 THR A 25 -23.494 -21.624 -17.843 1.00 31.10 H new ATOM 0 HG21 THR A 25 -21.793 -20.716 -16.673 1.00 2.31 H new ATOM 0 HG22 THR A 25 -21.382 -19.038 -17.102 1.00 2.31 H new ATOM 0 HG23 THR A 25 -23.052 -19.459 -16.652 1.00 2.31 H new ATOM 396 N THR A 26 -22.169 -16.572 -19.122 1.00 60.04 N ATOM 397 CA THR A 26 -21.164 -15.528 -19.082 1.00 24.43 C ATOM 398 C THR A 26 -20.885 -15.136 -17.639 1.00 73.52 C ATOM 399 O THR A 26 -21.566 -15.600 -16.722 1.00 0.30 O ATOM 400 CB THR A 26 -21.580 -14.298 -19.930 1.00 72.00 C ATOM 401 OG1 THR A 26 -20.542 -13.305 -19.931 1.00 61.04 O ATOM 402 CG2 THR A 26 -22.868 -13.683 -19.416 1.00 13.14 C ATOM 0 H THR A 26 -23.116 -16.257 -18.909 1.00 60.04 H new ATOM 0 HA THR A 26 -20.247 -15.918 -19.523 1.00 24.43 H new ATOM 0 HB THR A 26 -21.743 -14.648 -20.949 1.00 72.00 H new ATOM 0 HG1 THR A 26 -20.823 -12.538 -20.473 1.00 61.04 H new ATOM 0 HG21 THR A 26 -23.132 -12.823 -20.032 1.00 13.14 H new ATOM 0 HG22 THR A 26 -23.668 -14.422 -19.462 1.00 13.14 H new ATOM 0 HG23 THR A 26 -22.731 -13.361 -18.384 1.00 13.14 H new ATOM 410 N ASP A 27 -19.871 -14.309 -17.455 1.00 72.25 N ATOM 411 CA ASP A 27 -19.374 -13.936 -16.137 1.00 12.32 C ATOM 412 C ASP A 27 -20.500 -13.478 -15.218 1.00 23.53 C ATOM 413 O ASP A 27 -20.620 -13.953 -14.085 1.00 51.54 O ATOM 414 CB ASP A 27 -18.337 -12.824 -16.276 1.00 33.11 C ATOM 415 CG ASP A 27 -17.211 -13.176 -17.230 1.00 51.15 C ATOM 416 OD1 ASP A 27 -17.487 -13.380 -18.431 1.00 64.02 O ATOM 417 OD2 ASP A 27 -16.043 -13.218 -16.790 1.00 23.41 O ATOM 0 H ASP A 27 -19.362 -13.871 -18.223 1.00 72.25 H new ATOM 0 HA ASP A 27 -18.917 -14.818 -15.689 1.00 12.32 H new ATOM 0 HB2 ASP A 27 -18.830 -11.917 -16.625 1.00 33.11 H new ATOM 0 HB3 ASP A 27 -17.918 -12.602 -15.295 1.00 33.11 H new ATOM 422 N GLU A 28 -21.336 -12.573 -15.717 1.00 23.50 N ATOM 423 CA GLU A 28 -22.447 -12.044 -14.936 1.00 35.03 C ATOM 424 C GLU A 28 -23.437 -13.147 -14.569 1.00 71.01 C ATOM 425 O GLU A 28 -23.976 -13.166 -13.460 1.00 52.42 O ATOM 426 CB GLU A 28 -23.163 -10.929 -15.702 1.00 50.33 C ATOM 427 CG GLU A 28 -23.880 -11.398 -16.960 1.00 31.41 C ATOM 428 CD GLU A 28 -24.705 -10.309 -17.609 1.00 44.24 C ATOM 429 OE1 GLU A 28 -25.665 -9.827 -16.971 1.00 31.44 O ATOM 430 OE2 GLU A 28 -24.407 -9.937 -18.764 1.00 54.14 O ATOM 0 H GLU A 28 -21.264 -12.191 -16.660 1.00 23.50 H new ATOM 0 HA GLU A 28 -22.037 -11.631 -14.014 1.00 35.03 H new ATOM 0 HB2 GLU A 28 -23.887 -10.455 -15.039 1.00 50.33 H new ATOM 0 HB3 GLU A 28 -22.435 -10.166 -15.976 1.00 50.33 H new ATOM 0 HG2 GLU A 28 -23.144 -11.765 -17.676 1.00 31.41 H new ATOM 0 HG3 GLU A 28 -24.528 -12.238 -16.711 1.00 31.41 H new ATOM 437 N SER A 29 -23.655 -14.078 -15.491 1.00 21.43 N ATOM 438 CA SER A 29 -24.607 -15.154 -15.275 1.00 32.15 C ATOM 439 C SER A 29 -24.061 -16.130 -14.246 1.00 2.23 C ATOM 440 O SER A 29 -24.787 -16.619 -13.385 1.00 75.11 O ATOM 441 CB SER A 29 -24.875 -15.889 -16.590 1.00 11.32 C ATOM 442 OG SER A 29 -25.025 -14.975 -17.663 1.00 41.25 O ATOM 0 H SER A 29 -23.183 -14.107 -16.395 1.00 21.43 H new ATOM 0 HA SER A 29 -25.541 -14.729 -14.907 1.00 32.15 H new ATOM 0 HB2 SER A 29 -24.053 -16.573 -16.802 1.00 11.32 H new ATOM 0 HB3 SER A 29 -25.776 -16.494 -16.495 1.00 11.32 H new ATOM 0 HG SER A 29 -25.349 -15.451 -18.456 1.00 41.25 H new ATOM 448 N LEU A 30 -22.761 -16.368 -14.322 1.00 21.30 N ATOM 449 CA LEU A 30 -22.120 -17.379 -13.499 1.00 3.31 C ATOM 450 C LEU A 30 -21.973 -16.878 -12.069 1.00 64.20 C ATOM 451 O LEU A 30 -22.370 -17.560 -11.122 1.00 41.01 O ATOM 452 CB LEU A 30 -20.752 -17.755 -14.091 1.00 75.51 C ATOM 453 CG LEU A 30 -20.187 -19.122 -13.669 1.00 65.15 C ATOM 454 CD1 LEU A 30 -19.005 -19.498 -14.540 1.00 60.23 C ATOM 455 CD2 LEU A 30 -19.765 -19.125 -12.211 1.00 2.35 C ATOM 0 H LEU A 30 -22.127 -15.872 -14.949 1.00 21.30 H new ATOM 0 HA LEU A 30 -22.744 -18.272 -13.485 1.00 3.31 H new ATOM 0 HB2 LEU A 30 -20.831 -17.737 -15.178 1.00 75.51 H new ATOM 0 HB3 LEU A 30 -20.033 -16.985 -13.811 1.00 75.51 H new ATOM 0 HG LEU A 30 -20.982 -19.857 -13.797 1.00 65.15 H new ATOM 0 HD11 LEU A 30 -18.617 -20.468 -14.228 1.00 60.23 H new ATOM 0 HD12 LEU A 30 -19.323 -19.552 -15.581 1.00 60.23 H new ATOM 0 HD13 LEU A 30 -18.224 -18.745 -14.438 1.00 60.23 H new ATOM 0 HD21 LEU A 30 -19.371 -20.107 -11.948 1.00 2.35 H new ATOM 0 HD22 LEU A 30 -18.994 -18.371 -12.054 1.00 2.35 H new ATOM 0 HD23 LEU A 30 -20.627 -18.900 -11.582 1.00 2.35 H new ATOM 467 N ARG A 31 -21.424 -15.675 -11.913 1.00 1.42 N ATOM 468 CA ARG A 31 -21.170 -15.139 -10.584 1.00 34.01 C ATOM 469 C ARG A 31 -22.478 -15.008 -9.805 1.00 23.32 C ATOM 470 O ARG A 31 -22.541 -15.366 -8.638 1.00 13.52 O ATOM 471 CB ARG A 31 -20.442 -13.784 -10.646 1.00 61.32 C ATOM 472 CG ARG A 31 -21.363 -12.574 -10.612 1.00 0.15 C ATOM 473 CD ARG A 31 -20.593 -11.266 -10.605 1.00 75.21 C ATOM 474 NE ARG A 31 -20.138 -10.917 -9.262 1.00 53.25 N ATOM 475 CZ ARG A 31 -19.116 -10.109 -9.002 1.00 41.43 C ATOM 476 NH1 ARG A 31 -18.424 -9.555 -9.990 1.00 54.13 N ATOM 477 NH2 ARG A 31 -18.796 -9.850 -7.742 1.00 62.20 N ATOM 0 H ARG A 31 -21.151 -15.062 -12.681 1.00 1.42 H new ATOM 0 HA ARG A 31 -20.516 -15.839 -10.064 1.00 34.01 H new ATOM 0 HB2 ARG A 31 -19.747 -13.720 -9.809 1.00 61.32 H new ATOM 0 HB3 ARG A 31 -19.846 -13.747 -11.558 1.00 61.32 H new ATOM 0 HG2 ARG A 31 -22.025 -12.599 -11.478 1.00 0.15 H new ATOM 0 HG3 ARG A 31 -21.995 -12.626 -9.726 1.00 0.15 H new ATOM 0 HD2 ARG A 31 -19.734 -11.345 -11.272 1.00 75.21 H new ATOM 0 HD3 ARG A 31 -21.226 -10.468 -10.994 1.00 75.21 H new ATOM 0 HE ARG A 31 -20.639 -11.321 -8.470 1.00 53.25 H new ATOM 0 HH11 ARG A 31 -18.675 -9.748 -10.960 1.00 54.13 H new ATOM 0 HH12 ARG A 31 -17.641 -8.936 -9.780 1.00 54.13 H new ATOM 0 HH21 ARG A 31 -19.333 -10.270 -6.983 1.00 62.20 H new ATOM 0 HH22 ARG A 31 -18.013 -9.231 -7.532 1.00 62.20 H new ATOM 491 N SER A 32 -23.536 -14.550 -10.474 1.00 34.25 N ATOM 492 CA SER A 32 -24.807 -14.295 -9.810 1.00 5.31 C ATOM 493 C SER A 32 -25.431 -15.588 -9.287 1.00 61.44 C ATOM 494 O SER A 32 -26.255 -15.567 -8.374 1.00 31.33 O ATOM 495 CB SER A 32 -25.765 -13.584 -10.765 1.00 55.23 C ATOM 496 OG SER A 32 -25.206 -12.358 -11.217 1.00 54.23 O ATOM 0 H SER A 32 -23.535 -14.349 -11.474 1.00 34.25 H new ATOM 0 HA SER A 32 -24.618 -13.649 -8.952 1.00 5.31 H new ATOM 0 HB2 SER A 32 -25.980 -14.228 -11.618 1.00 55.23 H new ATOM 0 HB3 SER A 32 -26.713 -13.394 -10.262 1.00 55.23 H new ATOM 0 HG SER A 32 -24.853 -12.474 -12.124 1.00 54.23 H new ATOM 502 N HIS A 33 -25.040 -16.712 -9.868 1.00 55.21 N ATOM 503 CA HIS A 33 -25.472 -18.003 -9.368 1.00 23.15 C ATOM 504 C HIS A 33 -24.615 -18.435 -8.188 1.00 34.12 C ATOM 505 O HIS A 33 -25.130 -18.847 -7.159 1.00 23.12 O ATOM 506 CB HIS A 33 -25.436 -19.063 -10.471 1.00 53.24 C ATOM 507 CG HIS A 33 -26.701 -19.129 -11.268 1.00 11.54 C ATOM 508 ND1 HIS A 33 -26.849 -18.443 -12.447 1.00 3.42 N ATOM 509 CD2 HIS A 33 -27.839 -19.813 -11.010 1.00 31.43 C ATOM 510 CE1 HIS A 33 -28.064 -18.724 -12.879 1.00 24.30 C ATOM 511 NE2 HIS A 33 -28.700 -19.549 -12.040 1.00 23.42 N ATOM 0 H HIS A 33 -24.427 -16.754 -10.682 1.00 55.21 H new ATOM 0 HA HIS A 33 -26.503 -17.902 -9.030 1.00 23.15 H new ATOM 0 HB2 HIS A 33 -24.603 -18.852 -11.141 1.00 53.24 H new ATOM 0 HB3 HIS A 33 -25.246 -20.038 -10.023 1.00 53.24 H new ATOM 0 HD1 HIS A 33 -26.161 -17.839 -12.897 1.00 3.42 H new ATOM 0 HD2 HIS A 33 -28.031 -20.445 -10.156 1.00 31.43 H new ATOM 0 HE1 HIS A 33 -28.490 -18.337 -13.793 1.00 24.30 H new ATOM 519 N PHE A 34 -23.309 -18.304 -8.316 1.00 52.35 N ATOM 520 CA PHE A 34 -22.407 -18.797 -7.285 1.00 54.24 C ATOM 521 C PHE A 34 -22.319 -17.847 -6.094 1.00 30.52 C ATOM 522 O PHE A 34 -21.846 -18.232 -5.027 1.00 44.42 O ATOM 523 CB PHE A 34 -21.022 -19.075 -7.868 1.00 14.13 C ATOM 524 CG PHE A 34 -20.939 -20.392 -8.587 1.00 53.53 C ATOM 525 CD1 PHE A 34 -20.294 -21.470 -8.004 1.00 2.52 C ATOM 526 CD2 PHE A 34 -21.512 -20.556 -9.837 1.00 25.23 C ATOM 527 CE1 PHE A 34 -20.220 -22.684 -8.655 1.00 62.04 C ATOM 528 CE2 PHE A 34 -21.439 -21.768 -10.494 1.00 15.33 C ATOM 529 CZ PHE A 34 -20.793 -22.835 -9.902 1.00 12.30 C ATOM 0 H PHE A 34 -22.849 -17.865 -9.114 1.00 52.35 H new ATOM 0 HA PHE A 34 -22.821 -19.734 -6.913 1.00 54.24 H new ATOM 0 HB2 PHE A 34 -20.757 -18.274 -8.558 1.00 14.13 H new ATOM 0 HB3 PHE A 34 -20.286 -19.060 -7.064 1.00 14.13 H new ATOM 0 HD1 PHE A 34 -19.844 -21.359 -7.029 1.00 2.52 H new ATOM 0 HD2 PHE A 34 -22.022 -19.726 -10.303 1.00 25.23 H new ATOM 0 HE1 PHE A 34 -19.714 -23.516 -8.189 1.00 62.04 H new ATOM 0 HE2 PHE A 34 -21.887 -21.881 -11.470 1.00 15.33 H new ATOM 0 HZ PHE A 34 -20.736 -23.785 -10.413 1.00 12.30 H new ATOM 539 N GLU A 35 -22.807 -16.620 -6.255 1.00 52.42 N ATOM 540 CA GLU A 35 -22.821 -15.658 -5.154 1.00 45.41 C ATOM 541 C GLU A 35 -23.974 -15.941 -4.192 1.00 73.01 C ATOM 542 O GLU A 35 -24.305 -15.119 -3.338 1.00 62.43 O ATOM 543 CB GLU A 35 -22.907 -14.219 -5.670 1.00 22.44 C ATOM 544 CG GLU A 35 -21.629 -13.743 -6.342 1.00 4.25 C ATOM 545 CD GLU A 35 -21.679 -12.283 -6.736 1.00 23.44 C ATOM 546 OE1 GLU A 35 -20.763 -11.526 -6.347 1.00 41.04 O ATOM 547 OE2 GLU A 35 -22.630 -11.883 -7.438 1.00 10.00 O ATOM 0 H GLU A 35 -23.196 -16.269 -7.130 1.00 52.42 H new ATOM 0 HA GLU A 35 -21.881 -15.771 -4.614 1.00 45.41 H new ATOM 0 HB2 GLU A 35 -23.732 -14.143 -6.379 1.00 22.44 H new ATOM 0 HB3 GLU A 35 -23.140 -13.555 -4.837 1.00 22.44 H new ATOM 0 HG2 GLU A 35 -20.788 -13.903 -5.667 1.00 4.25 H new ATOM 0 HG3 GLU A 35 -21.445 -14.348 -7.230 1.00 4.25 H new ATOM 554 N GLN A 36 -24.577 -17.113 -4.331 1.00 21.53 N ATOM 555 CA GLN A 36 -25.635 -17.544 -3.428 1.00 32.45 C ATOM 556 C GLN A 36 -25.046 -18.279 -2.234 1.00 14.02 C ATOM 557 O GLN A 36 -25.557 -18.194 -1.117 1.00 73.55 O ATOM 558 CB GLN A 36 -26.616 -18.456 -4.155 1.00 74.11 C ATOM 559 CG GLN A 36 -27.499 -17.731 -5.154 1.00 42.01 C ATOM 560 CD GLN A 36 -28.332 -18.677 -5.994 1.00 0.55 C ATOM 561 OE1 GLN A 36 -29.462 -19.015 -5.644 1.00 33.22 O ATOM 562 NE2 GLN A 36 -27.767 -19.124 -7.102 1.00 42.25 N ATOM 0 H GLN A 36 -24.350 -17.785 -5.064 1.00 21.53 H new ATOM 0 HA GLN A 36 -26.165 -16.659 -3.076 1.00 32.45 H new ATOM 0 HB2 GLN A 36 -26.057 -19.234 -4.675 1.00 74.11 H new ATOM 0 HB3 GLN A 36 -27.248 -18.954 -3.420 1.00 74.11 H new ATOM 0 HG2 GLN A 36 -28.160 -17.048 -4.620 1.00 42.01 H new ATOM 0 HG3 GLN A 36 -26.875 -17.123 -5.810 1.00 42.01 H new ATOM 0 HE21 GLN A 36 -26.827 -18.818 -7.355 1.00 42.25 H new ATOM 0 HE22 GLN A 36 -28.270 -19.775 -7.704 1.00 42.25 H new ATOM 571 N TRP A 37 -23.958 -18.994 -2.475 1.00 51.35 N ATOM 572 CA TRP A 37 -23.323 -19.786 -1.435 1.00 53.22 C ATOM 573 C TRP A 37 -22.078 -19.083 -0.913 1.00 12.01 C ATOM 574 O TRP A 37 -21.305 -19.654 -0.145 1.00 4.00 O ATOM 575 CB TRP A 37 -22.978 -21.185 -1.962 1.00 61.32 C ATOM 576 CG TRP A 37 -24.189 -21.972 -2.375 1.00 2.13 C ATOM 577 CD1 TRP A 37 -24.883 -22.862 -1.610 1.00 15.45 C ATOM 578 CD2 TRP A 37 -24.853 -21.937 -3.646 1.00 42.44 C ATOM 579 NE1 TRP A 37 -25.940 -23.375 -2.318 1.00 5.34 N ATOM 580 CE2 TRP A 37 -25.942 -22.826 -3.570 1.00 62.12 C ATOM 581 CE3 TRP A 37 -24.638 -21.243 -4.837 1.00 13.34 C ATOM 582 CZ2 TRP A 37 -26.811 -23.035 -4.636 1.00 61.22 C ATOM 583 CZ3 TRP A 37 -25.503 -21.454 -5.894 1.00 4.42 C ATOM 584 CH2 TRP A 37 -26.577 -22.343 -5.788 1.00 31.45 C ATOM 0 H TRP A 37 -23.496 -19.042 -3.383 1.00 51.35 H new ATOM 0 HA TRP A 37 -24.023 -19.896 -0.607 1.00 53.22 H new ATOM 0 HB2 TRP A 37 -22.305 -21.090 -2.814 1.00 61.32 H new ATOM 0 HB3 TRP A 37 -22.440 -21.735 -1.190 1.00 61.32 H new ATOM 0 HD1 TRP A 37 -24.636 -23.125 -0.592 1.00 15.45 H new ATOM 0 HE1 TRP A 37 -26.614 -24.055 -1.967 1.00 5.34 H new ATOM 0 HE3 TRP A 37 -23.812 -20.554 -4.931 1.00 13.34 H new ATOM 0 HZ2 TRP A 37 -27.641 -23.721 -4.554 1.00 61.22 H new ATOM 0 HZ3 TRP A 37 -25.346 -20.922 -6.820 1.00 4.42 H new ATOM 0 HH2 TRP A 37 -27.233 -22.484 -6.634 1.00 31.45 H new ATOM 595 N GLY A 38 -21.898 -17.834 -1.321 1.00 45.41 N ATOM 596 CA GLY A 38 -20.761 -17.070 -0.852 1.00 11.20 C ATOM 597 C GLY A 38 -20.478 -15.840 -1.689 1.00 5.51 C ATOM 598 O GLY A 38 -21.271 -15.468 -2.551 1.00 12.33 O ATOM 0 H GLY A 38 -22.515 -17.339 -1.965 1.00 45.41 H new ATOM 0 HA2 GLY A 38 -20.937 -16.766 0.180 1.00 11.20 H new ATOM 0 HA3 GLY A 38 -19.879 -17.710 -0.849 1.00 11.20 H new ATOM 602 N THR A 39 -19.344 -15.212 -1.425 1.00 50.14 N ATOM 603 CA THR A 39 -18.936 -14.007 -2.129 1.00 61.32 C ATOM 604 C THR A 39 -17.797 -14.311 -3.099 1.00 24.31 C ATOM 605 O THR A 39 -16.771 -14.847 -2.698 1.00 72.24 O ATOM 606 CB THR A 39 -18.481 -12.929 -1.120 1.00 1.03 C ATOM 607 OG1 THR A 39 -19.599 -12.476 -0.346 1.00 63.03 O ATOM 608 CG2 THR A 39 -17.825 -11.748 -1.820 1.00 40.01 C ATOM 0 H THR A 39 -18.680 -15.523 -0.716 1.00 50.14 H new ATOM 0 HA THR A 39 -19.791 -13.635 -2.694 1.00 61.32 H new ATOM 0 HB THR A 39 -17.741 -13.383 -0.461 1.00 1.03 H new ATOM 0 HG1 THR A 39 -19.301 -11.794 0.292 1.00 63.03 H new ATOM 0 HG21 THR A 39 -17.518 -11.010 -1.079 1.00 40.01 H new ATOM 0 HG22 THR A 39 -16.951 -12.092 -2.373 1.00 40.01 H new ATOM 0 HG23 THR A 39 -18.535 -11.294 -2.511 1.00 40.01 H new ATOM 616 N LEU A 40 -17.980 -13.984 -4.373 1.00 3.33 N ATOM 617 CA LEU A 40 -16.930 -14.190 -5.359 1.00 4.10 C ATOM 618 C LEU A 40 -16.108 -12.921 -5.520 1.00 33.43 C ATOM 619 O LEU A 40 -16.584 -11.929 -6.071 1.00 52.51 O ATOM 620 CB LEU A 40 -17.536 -14.596 -6.702 1.00 2.02 C ATOM 621 CG LEU A 40 -18.557 -15.718 -6.612 1.00 34.42 C ATOM 622 CD1 LEU A 40 -19.254 -15.921 -7.939 1.00 51.33 C ATOM 623 CD2 LEU A 40 -17.893 -16.996 -6.143 1.00 74.34 C ATOM 0 H LEU A 40 -18.839 -13.578 -4.744 1.00 3.33 H new ATOM 0 HA LEU A 40 -16.278 -14.992 -5.013 1.00 4.10 H new ATOM 0 HB2 LEU A 40 -18.010 -13.724 -7.152 1.00 2.02 H new ATOM 0 HB3 LEU A 40 -16.733 -14.904 -7.372 1.00 2.02 H new ATOM 0 HG LEU A 40 -19.315 -15.438 -5.880 1.00 34.42 H new ATOM 0 HD11 LEU A 40 -19.980 -16.729 -7.849 1.00 51.33 H new ATOM 0 HD12 LEU A 40 -19.767 -15.003 -8.225 1.00 51.33 H new ATOM 0 HD13 LEU A 40 -18.518 -16.178 -8.701 1.00 51.33 H new ATOM 0 HD21 LEU A 40 -18.636 -17.791 -6.083 1.00 74.34 H new ATOM 0 HD22 LEU A 40 -17.113 -17.281 -6.849 1.00 74.34 H new ATOM 0 HD23 LEU A 40 -17.452 -16.837 -5.159 1.00 74.34 H new ATOM 635 N THR A 41 -14.885 -12.953 -5.021 1.00 20.13 N ATOM 636 CA THR A 41 -13.993 -11.811 -5.112 1.00 4.24 C ATOM 637 C THR A 41 -13.306 -11.802 -6.473 1.00 62.23 C ATOM 638 O THR A 41 -12.802 -10.774 -6.933 1.00 2.11 O ATOM 639 CB THR A 41 -12.932 -11.848 -3.992 1.00 12.25 C ATOM 640 OG1 THR A 41 -12.102 -13.007 -4.133 1.00 61.12 O ATOM 641 CG2 THR A 41 -13.594 -11.871 -2.620 1.00 43.42 C ATOM 0 H THR A 41 -14.485 -13.762 -4.546 1.00 20.13 H new ATOM 0 HA THR A 41 -14.584 -10.903 -4.994 1.00 4.24 H new ATOM 0 HB THR A 41 -12.322 -10.949 -4.078 1.00 12.25 H new ATOM 0 HG1 THR A 41 -11.432 -13.018 -3.418 1.00 61.12 H new ATOM 0 HG21 THR A 41 -12.827 -11.897 -1.846 1.00 43.42 H new ATOM 0 HG22 THR A 41 -14.205 -10.977 -2.496 1.00 43.42 H new ATOM 0 HG23 THR A 41 -14.225 -12.756 -2.535 1.00 43.42 H new ATOM 649 N ASP A 42 -13.316 -12.961 -7.116 1.00 62.33 N ATOM 650 CA ASP A 42 -12.667 -13.141 -8.403 1.00 32.25 C ATOM 651 C ASP A 42 -13.459 -14.122 -9.247 1.00 11.04 C ATOM 652 O ASP A 42 -13.340 -15.333 -9.075 1.00 41.45 O ATOM 653 CB ASP A 42 -11.245 -13.657 -8.200 1.00 32.24 C ATOM 654 CG ASP A 42 -10.489 -13.858 -9.495 1.00 22.12 C ATOM 655 OD1 ASP A 42 -9.849 -12.894 -9.967 1.00 34.23 O ATOM 656 OD2 ASP A 42 -10.510 -14.986 -10.029 1.00 62.43 O ATOM 0 H ASP A 42 -13.774 -13.800 -6.760 1.00 62.33 H new ATOM 0 HA ASP A 42 -12.626 -12.182 -8.919 1.00 32.25 H new ATOM 0 HB2 ASP A 42 -10.697 -12.953 -7.573 1.00 32.24 H new ATOM 0 HB3 ASP A 42 -11.283 -14.603 -7.659 1.00 32.24 H new ATOM 661 N CYS A 43 -14.293 -13.608 -10.124 1.00 72.42 N ATOM 662 CA CYS A 43 -15.108 -14.458 -10.969 1.00 43.52 C ATOM 663 C CYS A 43 -14.832 -14.171 -12.438 1.00 13.13 C ATOM 664 O CYS A 43 -14.584 -13.024 -12.819 1.00 21.24 O ATOM 665 CB CYS A 43 -16.587 -14.258 -10.644 1.00 72.33 C ATOM 666 SG CYS A 43 -17.086 -12.528 -10.535 1.00 32.12 S ATOM 0 H CYS A 43 -14.426 -12.608 -10.272 1.00 72.42 H new ATOM 0 HA CYS A 43 -14.850 -15.499 -10.774 1.00 43.52 H new ATOM 0 HB2 CYS A 43 -17.187 -14.751 -11.409 1.00 72.33 H new ATOM 0 HB3 CYS A 43 -16.810 -14.750 -9.698 1.00 72.33 H new ATOM 0 HG CYS A 43 -16.376 -11.819 -11.361 1.00 32.12 H new ATOM 672 N VAL A 44 -14.856 -15.213 -13.257 1.00 55.31 N ATOM 673 CA VAL A 44 -14.584 -15.070 -14.679 1.00 24.13 C ATOM 674 C VAL A 44 -15.019 -16.319 -15.437 1.00 21.22 C ATOM 675 O VAL A 44 -14.995 -17.424 -14.896 1.00 2.11 O ATOM 676 CB VAL A 44 -13.079 -14.806 -14.937 1.00 54.32 C ATOM 677 CG1 VAL A 44 -12.238 -16.007 -14.524 1.00 64.12 C ATOM 678 CG2 VAL A 44 -12.828 -14.439 -16.395 1.00 0.43 C ATOM 0 H VAL A 44 -15.061 -16.167 -12.960 1.00 55.31 H new ATOM 0 HA VAL A 44 -15.155 -14.214 -15.038 1.00 24.13 H new ATOM 0 HB VAL A 44 -12.778 -13.957 -14.323 1.00 54.32 H new ATOM 0 HG11 VAL A 44 -11.186 -15.797 -14.715 1.00 64.12 H new ATOM 0 HG12 VAL A 44 -12.382 -16.204 -13.462 1.00 64.12 H new ATOM 0 HG13 VAL A 44 -12.544 -16.881 -15.100 1.00 64.12 H new ATOM 0 HG21 VAL A 44 -11.764 -14.259 -16.547 1.00 0.43 H new ATOM 0 HG22 VAL A 44 -13.153 -15.257 -17.037 1.00 0.43 H new ATOM 0 HG23 VAL A 44 -13.387 -13.537 -16.645 1.00 0.43 H new ATOM 688 N VAL A 45 -15.439 -16.140 -16.675 1.00 53.02 N ATOM 689 CA VAL A 45 -15.757 -17.266 -17.534 1.00 62.24 C ATOM 690 C VAL A 45 -14.763 -17.335 -18.684 1.00 62.24 C ATOM 691 O VAL A 45 -14.372 -16.310 -19.241 1.00 24.23 O ATOM 692 CB VAL A 45 -17.195 -17.174 -18.093 1.00 42.51 C ATOM 693 CG1 VAL A 45 -17.493 -18.332 -19.035 1.00 22.22 C ATOM 694 CG2 VAL A 45 -18.199 -17.143 -16.957 1.00 14.43 C ATOM 0 H VAL A 45 -15.568 -15.226 -17.109 1.00 53.02 H new ATOM 0 HA VAL A 45 -15.690 -18.172 -16.931 1.00 62.24 H new ATOM 0 HB VAL A 45 -17.279 -16.248 -18.662 1.00 42.51 H new ATOM 0 HG11 VAL A 45 -18.511 -18.241 -19.413 1.00 22.22 H new ATOM 0 HG12 VAL A 45 -16.793 -18.311 -19.870 1.00 22.22 H new ATOM 0 HG13 VAL A 45 -17.388 -19.274 -18.498 1.00 22.22 H new ATOM 0 HG21 VAL A 45 -19.208 -17.078 -17.365 1.00 14.43 H new ATOM 0 HG22 VAL A 45 -18.105 -18.053 -16.364 1.00 14.43 H new ATOM 0 HG23 VAL A 45 -18.007 -16.276 -16.325 1.00 14.43 H new ATOM 704 N MET A 46 -14.339 -18.541 -19.026 1.00 31.15 N ATOM 705 CA MET A 46 -13.430 -18.721 -20.141 1.00 53.15 C ATOM 706 C MET A 46 -14.218 -18.744 -21.426 1.00 42.23 C ATOM 707 O MET A 46 -15.196 -19.480 -21.558 1.00 32.42 O ATOM 708 CB MET A 46 -12.604 -19.994 -19.994 1.00 62.33 C ATOM 709 CG MET A 46 -11.675 -19.954 -18.804 1.00 54.21 C ATOM 710 SD MET A 46 -10.564 -18.542 -18.860 1.00 44.15 S ATOM 711 CE MET A 46 -9.759 -18.731 -17.280 1.00 74.20 C ATOM 0 H MET A 46 -14.608 -19.402 -18.550 1.00 31.15 H new ATOM 0 HA MET A 46 -12.730 -17.885 -20.156 1.00 53.15 H new ATOM 0 HB2 MET A 46 -13.275 -20.848 -19.897 1.00 62.33 H new ATOM 0 HB3 MET A 46 -12.019 -20.149 -20.901 1.00 62.33 H new ATOM 0 HG2 MET A 46 -12.263 -19.916 -17.887 1.00 54.21 H new ATOM 0 HG3 MET A 46 -11.091 -20.873 -18.770 1.00 54.21 H new ATOM 0 HE1 MET A 46 -8.993 -17.964 -17.168 1.00 74.20 H new ATOM 0 HE2 MET A 46 -10.495 -18.628 -16.482 1.00 74.20 H new ATOM 0 HE3 MET A 46 -9.297 -19.717 -17.223 1.00 74.20 H new ATOM 856 N ARG A 55 -16.386 -20.898 -23.510 1.00 32.12 N ATOM 857 CA ARG A 55 -15.739 -22.149 -23.868 1.00 72.42 C ATOM 858 C ARG A 55 -16.496 -23.330 -23.281 1.00 52.04 C ATOM 859 O ARG A 55 -16.446 -24.436 -23.813 1.00 22.41 O ATOM 860 CB ARG A 55 -14.291 -22.167 -23.377 1.00 54.21 C ATOM 861 CG ARG A 55 -13.327 -21.439 -24.299 1.00 70.43 C ATOM 862 CD ARG A 55 -11.881 -21.610 -23.857 1.00 22.11 C ATOM 863 NE ARG A 55 -11.436 -23.001 -23.954 1.00 60.24 N ATOM 864 CZ ARG A 55 -10.348 -23.484 -23.353 1.00 53.10 C ATOM 865 NH1 ARG A 55 -9.569 -22.683 -22.634 1.00 3.12 N ATOM 866 NH2 ARG A 55 -10.038 -24.769 -23.475 1.00 10.21 N ATOM 0 HA ARG A 55 -15.743 -22.232 -24.955 1.00 72.42 H new ATOM 0 HB2 ARG A 55 -14.246 -21.713 -22.387 1.00 54.21 H new ATOM 0 HB3 ARG A 55 -13.966 -23.202 -23.269 1.00 54.21 H new ATOM 0 HG2 ARG A 55 -13.443 -21.815 -25.315 1.00 70.43 H new ATOM 0 HG3 ARG A 55 -13.577 -20.378 -24.321 1.00 70.43 H new ATOM 0 HD2 ARG A 55 -11.238 -20.980 -24.472 1.00 22.11 H new ATOM 0 HD3 ARG A 55 -11.774 -21.267 -22.828 1.00 22.11 H new ATOM 0 HE ARG A 55 -11.994 -23.642 -24.518 1.00 60.24 H new ATOM 0 HH11 ARG A 55 -9.802 -21.694 -22.540 1.00 3.12 H new ATOM 0 HH12 ARG A 55 -8.738 -23.057 -22.176 1.00 3.12 H new ATOM 0 HH21 ARG A 55 -10.632 -25.387 -24.028 1.00 10.21 H new ATOM 0 HH22 ARG A 55 -9.206 -25.139 -23.015 1.00 10.21 H new ATOM 880 N GLY A 56 -17.211 -23.082 -22.195 1.00 60.32 N ATOM 881 CA GLY A 56 -17.922 -24.150 -21.523 1.00 22.31 C ATOM 882 C GLY A 56 -17.432 -24.375 -20.106 1.00 33.32 C ATOM 883 O GLY A 56 -17.747 -25.395 -19.488 1.00 42.53 O ATOM 0 H GLY A 56 -17.312 -22.162 -21.767 1.00 60.32 H new ATOM 0 HA2 GLY A 56 -18.986 -23.916 -21.503 1.00 22.31 H new ATOM 0 HA3 GLY A 56 -17.809 -25.072 -22.093 1.00 22.31 H new ATOM 887 N PHE A 57 -16.654 -23.428 -19.585 1.00 73.32 N ATOM 888 CA PHE A 57 -16.192 -23.500 -18.201 1.00 70.10 C ATOM 889 C PHE A 57 -15.716 -22.128 -17.717 1.00 51.14 C ATOM 890 O PHE A 57 -15.479 -21.224 -18.521 1.00 33.04 O ATOM 891 CB PHE A 57 -15.074 -24.541 -18.054 1.00 62.01 C ATOM 892 CG PHE A 57 -13.774 -24.138 -18.683 1.00 51.32 C ATOM 893 CD1 PHE A 57 -12.708 -23.759 -17.891 1.00 60.43 C ATOM 894 CD2 PHE A 57 -13.624 -24.127 -20.058 1.00 65.22 C ATOM 895 CE1 PHE A 57 -11.511 -23.374 -18.458 1.00 64.00 C ATOM 896 CE2 PHE A 57 -12.430 -23.747 -20.632 1.00 75.32 C ATOM 897 CZ PHE A 57 -11.371 -23.368 -19.832 1.00 50.14 C ATOM 0 H PHE A 57 -16.332 -22.607 -20.097 1.00 73.32 H new ATOM 0 HA PHE A 57 -17.032 -23.810 -17.579 1.00 70.10 H new ATOM 0 HB2 PHE A 57 -14.908 -24.733 -16.994 1.00 62.01 H new ATOM 0 HB3 PHE A 57 -15.405 -25.479 -18.499 1.00 62.01 H new ATOM 0 HD1 PHE A 57 -12.813 -23.764 -16.816 1.00 60.43 H new ATOM 0 HD2 PHE A 57 -14.451 -24.419 -20.688 1.00 65.22 H new ATOM 0 HE1 PHE A 57 -10.685 -23.078 -17.829 1.00 64.00 H new ATOM 0 HE2 PHE A 57 -12.323 -23.746 -21.707 1.00 75.32 H new ATOM 0 HZ PHE A 57 -10.435 -23.067 -20.279 1.00 50.14 H new ATOM 907 N GLY A 58 -15.584 -21.981 -16.402 1.00 51.41 N ATOM 908 CA GLY A 58 -15.167 -20.717 -15.823 1.00 52.04 C ATOM 909 C GLY A 58 -14.583 -20.885 -14.431 1.00 33.42 C ATOM 910 O GLY A 58 -14.339 -22.008 -13.989 1.00 74.45 O ATOM 0 H GLY A 58 -15.760 -22.721 -15.723 1.00 51.41 H new ATOM 0 HA2 GLY A 58 -14.426 -20.250 -16.472 1.00 52.04 H new ATOM 0 HA3 GLY A 58 -16.021 -20.042 -15.777 1.00 52.04 H new ATOM 914 N PHE A 59 -14.364 -19.772 -13.739 1.00 23.32 N ATOM 915 CA PHE A 59 -13.776 -19.793 -12.403 1.00 31.24 C ATOM 916 C PHE A 59 -14.492 -18.821 -11.473 1.00 33.22 C ATOM 917 O PHE A 59 -15.029 -17.805 -11.915 1.00 11.04 O ATOM 918 CB PHE A 59 -12.293 -19.426 -12.454 1.00 44.22 C ATOM 919 CG PHE A 59 -11.426 -20.432 -13.152 1.00 21.22 C ATOM 920 CD1 PHE A 59 -10.919 -21.521 -12.464 1.00 14.52 C ATOM 921 CD2 PHE A 59 -11.105 -20.281 -14.489 1.00 50.11 C ATOM 922 CE1 PHE A 59 -10.108 -22.439 -13.097 1.00 1.11 C ATOM 923 CE2 PHE A 59 -10.297 -21.200 -15.128 1.00 65.43 C ATOM 924 CZ PHE A 59 -9.797 -22.278 -14.432 1.00 45.01 C ATOM 0 H PHE A 59 -14.586 -18.838 -14.083 1.00 23.32 H new ATOM 0 HA PHE A 59 -13.887 -20.807 -12.019 1.00 31.24 H new ATOM 0 HB2 PHE A 59 -12.187 -18.464 -12.955 1.00 44.22 H new ATOM 0 HB3 PHE A 59 -11.929 -19.296 -11.435 1.00 44.22 H new ATOM 0 HD1 PHE A 59 -11.161 -21.653 -11.420 1.00 14.52 H new ATOM 0 HD2 PHE A 59 -11.491 -19.435 -15.039 1.00 50.11 H new ATOM 0 HE1 PHE A 59 -9.717 -23.283 -12.549 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -10.057 -21.074 -16.173 1.00 65.43 H new ATOM 0 HZ PHE A 59 -9.163 -22.996 -14.930 1.00 45.01 H new ATOM 934 N VAL A 60 -14.472 -19.138 -10.184 1.00 64.22 N ATOM 935 CA VAL A 60 -15.102 -18.308 -9.158 1.00 2.44 C ATOM 936 C VAL A 60 -14.374 -18.434 -7.830 1.00 43.14 C ATOM 937 O VAL A 60 -14.409 -19.473 -7.180 1.00 62.20 O ATOM 938 CB VAL A 60 -16.595 -18.639 -8.969 1.00 32.43 C ATOM 939 CG1 VAL A 60 -17.425 -17.854 -9.960 1.00 20.31 C ATOM 940 CG2 VAL A 60 -16.854 -20.127 -9.107 1.00 14.11 C ATOM 0 H VAL A 60 -14.020 -19.976 -9.818 1.00 64.22 H new ATOM 0 HA VAL A 60 -15.032 -17.278 -9.509 1.00 2.44 H new ATOM 0 HB VAL A 60 -16.885 -18.351 -7.958 1.00 32.43 H new ATOM 0 HG11 VAL A 60 -18.479 -18.093 -9.821 1.00 20.31 H new ATOM 0 HG12 VAL A 60 -17.270 -16.787 -9.800 1.00 20.31 H new ATOM 0 HG13 VAL A 60 -17.124 -18.116 -10.974 1.00 20.31 H new ATOM 0 HG21 VAL A 60 -17.917 -20.326 -8.968 1.00 14.11 H new ATOM 0 HG22 VAL A 60 -16.550 -20.459 -10.100 1.00 14.11 H new ATOM 0 HG23 VAL A 60 -16.282 -20.667 -8.353 1.00 14.11 H new ATOM 950 N THR A 61 -13.699 -17.368 -7.444 1.00 55.45 N ATOM 951 CA THR A 61 -12.944 -17.347 -6.206 1.00 21.22 C ATOM 952 C THR A 61 -13.794 -16.751 -5.098 1.00 5.41 C ATOM 953 O THR A 61 -14.235 -15.607 -5.196 1.00 15.43 O ATOM 954 CB THR A 61 -11.659 -16.513 -6.356 1.00 35.04 C ATOM 955 OG1 THR A 61 -11.047 -16.784 -7.628 1.00 22.11 O ATOM 956 CG2 THR A 61 -10.674 -16.820 -5.239 1.00 0.42 C ATOM 0 H THR A 61 -13.658 -16.498 -7.975 1.00 55.45 H new ATOM 0 HA THR A 61 -12.670 -18.373 -5.959 1.00 21.22 H new ATOM 0 HB THR A 61 -11.929 -15.459 -6.296 1.00 35.04 H new ATOM 0 HG1 THR A 61 -11.601 -16.410 -8.344 1.00 22.11 H new ATOM 0 HG21 THR A 61 -9.776 -16.217 -5.370 1.00 0.42 H new ATOM 0 HG22 THR A 61 -11.130 -16.587 -4.277 1.00 0.42 H new ATOM 0 HG23 THR A 61 -10.409 -17.877 -5.268 1.00 0.42 H new ATOM 964 N TYR A 62 -14.034 -17.530 -4.059 1.00 24.54 N ATOM 965 CA TYR A 62 -14.851 -17.076 -2.948 1.00 51.33 C ATOM 966 C TYR A 62 -14.018 -16.287 -1.947 1.00 61.42 C ATOM 967 O TYR A 62 -12.789 -16.276 -2.019 1.00 10.24 O ATOM 968 CB TYR A 62 -15.521 -18.261 -2.259 1.00 12.55 C ATOM 969 CG TYR A 62 -16.724 -18.797 -3.001 1.00 52.42 C ATOM 970 CD1 TYR A 62 -18.004 -18.448 -2.605 1.00 73.14 C ATOM 971 CD2 TYR A 62 -16.584 -19.650 -4.087 1.00 52.34 C ATOM 972 CE1 TYR A 62 -19.114 -18.932 -3.264 1.00 64.12 C ATOM 973 CE2 TYR A 62 -17.691 -20.137 -4.755 1.00 64.22 C ATOM 974 CZ TYR A 62 -18.954 -19.774 -4.337 1.00 33.53 C ATOM 975 OH TYR A 62 -20.061 -20.253 -4.994 1.00 13.12 O ATOM 0 H TYR A 62 -13.675 -18.480 -3.961 1.00 24.54 H new ATOM 0 HA TYR A 62 -15.624 -16.418 -3.344 1.00 51.33 H new ATOM 0 HB2 TYR A 62 -14.791 -19.062 -2.143 1.00 12.55 H new ATOM 0 HB3 TYR A 62 -15.828 -17.961 -1.257 1.00 12.55 H new ATOM 0 HD1 TYR A 62 -18.135 -17.784 -1.764 1.00 73.14 H new ATOM 0 HD2 TYR A 62 -15.596 -19.937 -4.414 1.00 52.34 H new ATOM 0 HE1 TYR A 62 -20.104 -18.650 -2.938 1.00 64.12 H new ATOM 0 HE2 TYR A 62 -17.568 -20.798 -5.600 1.00 64.22 H new ATOM 0 HH TYR A 62 -20.721 -19.535 -5.090 1.00 13.12 H new ATOM 985 N ALA A 63 -14.698 -15.641 -1.006 1.00 52.50 N ATOM 986 CA ALA A 63 -14.032 -14.823 -0.003 1.00 61.22 C ATOM 987 C ALA A 63 -13.279 -15.697 0.984 1.00 22.01 C ATOM 988 O ALA A 63 -12.306 -15.270 1.600 1.00 34.42 O ATOM 989 CB ALA A 63 -15.044 -13.950 0.724 1.00 33.01 C ATOM 0 H ALA A 63 -15.714 -15.669 -0.918 1.00 52.50 H new ATOM 0 HA ALA A 63 -13.313 -14.176 -0.506 1.00 61.22 H new ATOM 0 HB1 ALA A 63 -14.531 -13.344 1.471 1.00 33.01 H new ATOM 0 HB2 ALA A 63 -15.543 -13.298 0.007 1.00 33.01 H new ATOM 0 HB3 ALA A 63 -15.784 -14.582 1.215 1.00 33.01 H new ATOM 995 N THR A 64 -13.738 -16.929 1.127 1.00 42.00 N ATOM 996 CA THR A 64 -13.099 -17.885 2.012 1.00 62.03 C ATOM 997 C THR A 64 -13.430 -19.314 1.581 1.00 15.11 C ATOM 998 O THR A 64 -14.423 -19.550 0.889 1.00 62.31 O ATOM 999 CB THR A 64 -13.505 -17.643 3.486 1.00 42.32 C ATOM 1000 OG1 THR A 64 -12.938 -18.645 4.339 1.00 23.01 O ATOM 1001 CG2 THR A 64 -15.015 -17.624 3.643 1.00 13.01 C ATOM 0 H THR A 64 -14.556 -17.291 0.637 1.00 42.00 H new ATOM 0 HA THR A 64 -12.020 -17.745 1.941 1.00 62.03 H new ATOM 0 HB THR A 64 -13.116 -16.668 3.779 1.00 42.32 H new ATOM 0 HG1 THR A 64 -13.204 -18.474 5.266 1.00 23.01 H new ATOM 0 HG21 THR A 64 -15.270 -17.452 4.689 1.00 13.01 H new ATOM 0 HG22 THR A 64 -15.434 -16.825 3.031 1.00 13.01 H new ATOM 0 HG23 THR A 64 -15.426 -18.581 3.322 1.00 13.01 H new ATOM 1009 N VAL A 65 -12.584 -20.255 1.991 1.00 73.40 N ATOM 1010 CA VAL A 65 -12.670 -21.647 1.554 1.00 22.31 C ATOM 1011 C VAL A 65 -14.013 -22.300 1.882 1.00 12.30 C ATOM 1012 O VAL A 65 -14.498 -23.132 1.118 1.00 25.52 O ATOM 1013 CB VAL A 65 -11.531 -22.494 2.165 1.00 64.32 C ATOM 1014 CG1 VAL A 65 -10.185 -21.998 1.672 1.00 23.30 C ATOM 1015 CG2 VAL A 65 -11.579 -22.468 3.686 1.00 62.01 C ATOM 0 H VAL A 65 -11.817 -20.074 2.638 1.00 73.40 H new ATOM 0 HA VAL A 65 -12.572 -21.620 0.469 1.00 22.31 H new ATOM 0 HB VAL A 65 -11.668 -23.526 1.842 1.00 64.32 H new ATOM 0 HG11 VAL A 65 -9.391 -22.603 2.110 1.00 23.30 H new ATOM 0 HG12 VAL A 65 -10.144 -22.077 0.586 1.00 23.30 H new ATOM 0 HG13 VAL A 65 -10.051 -20.957 1.966 1.00 23.30 H new ATOM 0 HG21 VAL A 65 -10.765 -23.073 4.086 1.00 62.01 H new ATOM 0 HG22 VAL A 65 -11.474 -21.441 4.036 1.00 62.01 H new ATOM 0 HG23 VAL A 65 -12.532 -22.871 4.027 1.00 62.01 H new ATOM 1025 N GLU A 66 -14.622 -21.921 2.998 1.00 74.32 N ATOM 1026 CA GLU A 66 -15.869 -22.554 3.418 1.00 50.31 C ATOM 1027 C GLU A 66 -17.037 -22.144 2.527 1.00 2.13 C ATOM 1028 O GLU A 66 -18.042 -22.848 2.449 1.00 24.23 O ATOM 1029 CB GLU A 66 -16.169 -22.257 4.884 1.00 41.14 C ATOM 1030 CG GLU A 66 -16.089 -20.791 5.257 1.00 14.35 C ATOM 1031 CD GLU A 66 -16.278 -20.584 6.741 1.00 53.55 C ATOM 1032 OE1 GLU A 66 -17.326 -20.036 7.143 1.00 45.41 O ATOM 1033 OE2 GLU A 66 -15.393 -20.998 7.516 1.00 54.04 O ATOM 0 H GLU A 66 -14.281 -21.190 3.622 1.00 74.32 H new ATOM 0 HA GLU A 66 -15.739 -23.631 3.311 1.00 50.31 H new ATOM 0 HB2 GLU A 66 -17.168 -22.625 5.119 1.00 41.14 H new ATOM 0 HB3 GLU A 66 -15.469 -22.816 5.505 1.00 41.14 H new ATOM 0 HG2 GLU A 66 -15.122 -20.390 4.953 1.00 14.35 H new ATOM 0 HG3 GLU A 66 -16.851 -20.234 4.711 1.00 14.35 H new ATOM 1040 N GLU A 67 -16.901 -21.022 1.835 1.00 12.34 N ATOM 1041 CA GLU A 67 -17.912 -20.618 0.871 1.00 65.12 C ATOM 1042 C GLU A 67 -17.796 -21.489 -0.372 1.00 72.44 C ATOM 1043 O GLU A 67 -18.788 -21.796 -1.031 1.00 73.34 O ATOM 1044 CB GLU A 67 -17.770 -19.145 0.504 1.00 4.20 C ATOM 1045 CG GLU A 67 -17.738 -18.220 1.702 1.00 10.34 C ATOM 1046 CD GLU A 67 -18.265 -16.841 1.380 1.00 40.31 C ATOM 1047 OE1 GLU A 67 -17.596 -16.096 0.636 1.00 31.03 O ATOM 1048 OE2 GLU A 67 -19.361 -16.497 1.870 1.00 33.53 O ATOM 0 H GLU A 67 -16.111 -20.383 1.921 1.00 12.34 H new ATOM 0 HA GLU A 67 -18.896 -20.750 1.320 1.00 65.12 H new ATOM 0 HB2 GLU A 67 -16.855 -19.010 -0.073 1.00 4.20 H new ATOM 0 HB3 GLU A 67 -18.600 -18.859 -0.143 1.00 4.20 H new ATOM 0 HG2 GLU A 67 -18.330 -18.653 2.508 1.00 10.34 H new ATOM 0 HG3 GLU A 67 -16.714 -18.138 2.067 1.00 10.34 H new ATOM 1055 N VAL A 68 -16.566 -21.893 -0.674 1.00 54.31 N ATOM 1056 CA VAL A 68 -16.313 -22.858 -1.733 1.00 52.23 C ATOM 1057 C VAL A 68 -16.957 -24.190 -1.375 1.00 14.25 C ATOM 1058 O VAL A 68 -17.604 -24.827 -2.209 1.00 11.41 O ATOM 1059 CB VAL A 68 -14.796 -23.053 -1.961 1.00 23.33 C ATOM 1060 CG1 VAL A 68 -14.521 -24.286 -2.803 1.00 41.23 C ATOM 1061 CG2 VAL A 68 -14.200 -21.827 -2.626 1.00 22.31 C ATOM 0 H VAL A 68 -15.727 -21.564 -0.197 1.00 54.31 H new ATOM 0 HA VAL A 68 -16.748 -22.475 -2.656 1.00 52.23 H new ATOM 0 HB VAL A 68 -14.327 -23.194 -0.987 1.00 23.33 H new ATOM 0 HG11 VAL A 68 -13.446 -24.397 -2.946 1.00 41.23 H new ATOM 0 HG12 VAL A 68 -14.912 -25.168 -2.295 1.00 41.23 H new ATOM 0 HG13 VAL A 68 -15.007 -24.180 -3.773 1.00 41.23 H new ATOM 0 HG21 VAL A 68 -13.132 -21.980 -2.780 1.00 22.31 H new ATOM 0 HG22 VAL A 68 -14.685 -21.663 -3.588 1.00 22.31 H new ATOM 0 HG23 VAL A 68 -14.354 -20.956 -1.989 1.00 22.31 H new ATOM 1071 N ASP A 69 -16.785 -24.588 -0.120 1.00 12.32 N ATOM 1072 CA ASP A 69 -17.397 -25.804 0.403 1.00 1.41 C ATOM 1073 C ASP A 69 -18.905 -25.770 0.198 1.00 2.33 C ATOM 1074 O ASP A 69 -19.483 -26.728 -0.304 1.00 34.15 O ATOM 1075 CB ASP A 69 -17.068 -25.973 1.888 1.00 31.35 C ATOM 1076 CG ASP A 69 -17.512 -27.315 2.434 1.00 25.41 C ATOM 1077 OD1 ASP A 69 -16.837 -28.327 2.157 1.00 40.51 O ATOM 1078 OD2 ASP A 69 -18.528 -27.365 3.161 1.00 70.12 O ATOM 0 H ASP A 69 -16.220 -24.080 0.561 1.00 12.32 H new ATOM 0 HA ASP A 69 -16.990 -26.656 -0.142 1.00 1.41 H new ATOM 0 HB2 ASP A 69 -15.993 -25.863 2.033 1.00 31.35 H new ATOM 0 HB3 ASP A 69 -17.549 -25.177 2.456 1.00 31.35 H new ATOM 1083 N ALA A 70 -19.529 -24.645 0.542 1.00 32.35 N ATOM 1084 CA ALA A 70 -20.974 -24.492 0.400 1.00 25.33 C ATOM 1085 C ALA A 70 -21.418 -24.711 -1.044 1.00 4.35 C ATOM 1086 O ALA A 70 -22.444 -25.344 -1.299 1.00 15.10 O ATOM 1087 CB ALA A 70 -21.412 -23.119 0.887 1.00 41.21 C ATOM 0 H ALA A 70 -19.055 -23.825 0.921 1.00 32.35 H new ATOM 0 HA ALA A 70 -21.452 -25.254 1.015 1.00 25.33 H new ATOM 0 HB1 ALA A 70 -22.492 -23.020 0.775 1.00 41.21 H new ATOM 0 HB2 ALA A 70 -21.144 -23.003 1.937 1.00 41.21 H new ATOM 0 HB3 ALA A 70 -20.914 -22.348 0.299 1.00 41.21 H new ATOM 1093 N ALA A 71 -20.633 -24.202 -1.987 1.00 51.11 N ATOM 1094 CA ALA A 71 -20.939 -24.359 -3.403 1.00 3.43 C ATOM 1095 C ALA A 71 -20.698 -25.793 -3.859 1.00 41.35 C ATOM 1096 O ALA A 71 -21.411 -26.312 -4.716 1.00 30.13 O ATOM 1097 CB ALA A 71 -20.114 -23.396 -4.234 1.00 25.23 C ATOM 0 H ALA A 71 -19.780 -23.677 -1.796 1.00 51.11 H new ATOM 0 HA ALA A 71 -21.995 -24.130 -3.547 1.00 3.43 H new ATOM 0 HB1 ALA A 71 -20.355 -23.527 -5.289 1.00 25.23 H new ATOM 0 HB2 ALA A 71 -20.339 -22.372 -3.935 1.00 25.23 H new ATOM 0 HB3 ALA A 71 -19.054 -23.596 -4.077 1.00 25.23 H new ATOM 1103 N MET A 72 -19.693 -26.435 -3.278 1.00 53.12 N ATOM 1104 CA MET A 72 -19.392 -27.826 -3.594 1.00 25.50 C ATOM 1105 C MET A 72 -20.487 -28.741 -3.067 1.00 65.12 C ATOM 1106 O MET A 72 -20.831 -29.740 -3.694 1.00 14.20 O ATOM 1107 CB MET A 72 -18.052 -28.250 -3.000 1.00 60.03 C ATOM 1108 CG MET A 72 -16.855 -27.550 -3.609 1.00 4.35 C ATOM 1109 SD MET A 72 -15.305 -28.310 -3.105 1.00 21.30 S ATOM 1110 CE MET A 72 -14.170 -27.488 -4.208 1.00 33.14 C ATOM 0 H MET A 72 -19.072 -26.015 -2.586 1.00 53.12 H new ATOM 0 HA MET A 72 -19.337 -27.911 -4.679 1.00 25.50 H new ATOM 0 HB2 MET A 72 -18.065 -28.057 -1.927 1.00 60.03 H new ATOM 0 HB3 MET A 72 -17.934 -29.326 -3.129 1.00 60.03 H new ATOM 0 HG2 MET A 72 -16.935 -27.574 -4.696 1.00 4.35 H new ATOM 0 HG3 MET A 72 -16.858 -26.501 -3.312 1.00 4.35 H new ATOM 0 HE1 MET A 72 -13.259 -28.080 -4.300 1.00 33.14 H new ATOM 0 HE2 MET A 72 -14.632 -27.377 -5.189 1.00 33.14 H new ATOM 0 HE3 MET A 72 -13.924 -26.504 -3.810 1.00 33.14 H new ATOM 1120 N ASN A 73 -21.028 -28.390 -1.911 1.00 2.13 N ATOM 1121 CA ASN A 73 -22.124 -29.145 -1.313 1.00 61.22 C ATOM 1122 C ASN A 73 -23.400 -28.915 -2.105 1.00 42.32 C ATOM 1123 O ASN A 73 -24.358 -29.684 -2.010 1.00 71.04 O ATOM 1124 CB ASN A 73 -22.335 -28.720 0.143 1.00 2.30 C ATOM 1125 CG ASN A 73 -21.072 -28.846 0.970 1.00 2.04 C ATOM 1126 OD1 ASN A 73 -20.270 -29.757 0.768 1.00 52.13 O ATOM 1127 ND2 ASN A 73 -20.877 -27.919 1.893 1.00 12.23 N ATOM 0 H ASN A 73 -20.726 -27.584 -1.364 1.00 2.13 H new ATOM 0 HA ASN A 73 -21.870 -30.205 -1.335 1.00 61.22 H new ATOM 0 HB2 ASN A 73 -22.683 -27.687 0.170 1.00 2.30 H new ATOM 0 HB3 ASN A 73 -23.120 -29.332 0.587 1.00 2.30 H new ATOM 0 HD21 ASN A 73 -20.036 -27.943 2.470 1.00 12.23 H new ATOM 0 HD22 ASN A 73 -21.568 -27.181 2.028 1.00 12.23 H new ATOM 1134 N ALA A 74 -23.394 -27.849 -2.896 1.00 61.34 N ATOM 1135 CA ALA A 74 -24.521 -27.505 -3.745 1.00 63.01 C ATOM 1136 C ALA A 74 -24.417 -28.219 -5.091 1.00 12.14 C ATOM 1137 O ALA A 74 -25.223 -27.989 -5.992 1.00 22.05 O ATOM 1138 CB ALA A 74 -24.588 -25.998 -3.938 1.00 54.04 C ATOM 0 H ALA A 74 -22.608 -27.202 -2.965 1.00 61.34 H new ATOM 0 HA ALA A 74 -25.439 -27.834 -3.259 1.00 63.01 H new ATOM 0 HB1 ALA A 74 -25.436 -25.750 -4.576 1.00 54.04 H new ATOM 0 HB2 ALA A 74 -24.708 -25.512 -2.970 1.00 54.04 H new ATOM 0 HB3 ALA A 74 -23.668 -25.650 -4.407 1.00 54.04 H new ATOM 1144 N ARG A 75 -23.408 -29.074 -5.219 1.00 53.44 N ATOM 1145 CA ARG A 75 -23.238 -29.913 -6.394 1.00 15.12 C ATOM 1146 C ARG A 75 -24.103 -31.166 -6.256 1.00 52.20 C ATOM 1147 O ARG A 75 -24.154 -31.768 -5.180 1.00 70.14 O ATOM 1148 CB ARG A 75 -21.755 -30.271 -6.555 1.00 2.21 C ATOM 1149 CG ARG A 75 -21.466 -31.407 -7.527 1.00 44.24 C ATOM 1150 CD ARG A 75 -19.969 -31.650 -7.646 1.00 31.33 C ATOM 1151 NE ARG A 75 -19.318 -31.671 -6.334 1.00 20.23 N ATOM 1152 CZ ARG A 75 -18.019 -31.441 -6.136 1.00 55.10 C ATOM 1153 NH1 ARG A 75 -17.200 -31.266 -7.166 1.00 73.21 N ATOM 1154 NH2 ARG A 75 -17.533 -31.402 -4.904 1.00 74.43 N ATOM 0 H ARG A 75 -22.686 -29.203 -4.510 1.00 53.44 H new ATOM 0 HA ARG A 75 -23.558 -29.377 -7.288 1.00 15.12 H new ATOM 0 HB2 ARG A 75 -21.217 -29.383 -6.888 1.00 2.21 H new ATOM 0 HB3 ARG A 75 -21.354 -30.539 -5.578 1.00 2.21 H new ATOM 0 HG2 ARG A 75 -21.961 -32.317 -7.187 1.00 44.24 H new ATOM 0 HG3 ARG A 75 -21.879 -31.167 -8.507 1.00 44.24 H new ATOM 0 HD2 ARG A 75 -19.793 -32.598 -8.155 1.00 31.33 H new ATOM 0 HD3 ARG A 75 -19.521 -30.870 -8.262 1.00 31.33 H new ATOM 0 HE ARG A 75 -19.896 -31.875 -5.518 1.00 20.23 H new ATOM 0 HH11 ARG A 75 -17.563 -31.307 -8.119 1.00 73.21 H new ATOM 0 HH12 ARG A 75 -16.208 -31.091 -7.005 1.00 73.21 H new ATOM 0 HH21 ARG A 75 -18.152 -31.548 -4.107 1.00 74.43 H new ATOM 0 HH22 ARG A 75 -16.540 -31.226 -4.753 1.00 74.43 H new ATOM 1168 N PRO A 76 -24.788 -31.585 -7.334 1.00 45.32 N ATOM 1169 CA PRO A 76 -24.662 -30.972 -8.664 1.00 61.41 C ATOM 1170 C PRO A 76 -25.196 -29.544 -8.717 1.00 24.15 C ATOM 1171 O PRO A 76 -26.329 -29.271 -8.315 1.00 24.52 O ATOM 1172 CB PRO A 76 -25.494 -31.891 -9.562 1.00 42.42 C ATOM 1173 CG PRO A 76 -26.473 -32.532 -8.645 1.00 55.44 C ATOM 1174 CD PRO A 76 -25.761 -32.689 -7.330 1.00 21.21 C ATOM 0 HA PRO A 76 -23.618 -30.885 -8.966 1.00 61.41 H new ATOM 0 HB2 PRO A 76 -25.998 -31.327 -10.347 1.00 42.42 H new ATOM 0 HB3 PRO A 76 -24.868 -32.635 -10.055 1.00 42.42 H new ATOM 0 HG2 PRO A 76 -27.366 -31.917 -8.535 1.00 55.44 H new ATOM 0 HG3 PRO A 76 -26.797 -33.498 -9.032 1.00 55.44 H new ATOM 0 HD2 PRO A 76 -26.450 -32.614 -6.489 1.00 21.21 H new ATOM 0 HD3 PRO A 76 -25.268 -33.658 -7.253 1.00 21.21 H new ATOM 1182 N HIS A 77 -24.363 -28.643 -9.219 1.00 21.23 N ATOM 1183 CA HIS A 77 -24.680 -27.226 -9.243 1.00 63.13 C ATOM 1184 C HIS A 77 -25.512 -26.899 -10.483 1.00 44.35 C ATOM 1185 O HIS A 77 -25.610 -27.715 -11.400 1.00 10.12 O ATOM 1186 CB HIS A 77 -23.379 -26.422 -9.239 1.00 73.11 C ATOM 1187 CG HIS A 77 -23.508 -25.038 -8.687 1.00 20.25 C ATOM 1188 ND1 HIS A 77 -24.159 -24.046 -9.377 1.00 13.44 N ATOM 1189 CD2 HIS A 77 -23.052 -24.538 -7.515 1.00 41.44 C ATOM 1190 CE1 HIS A 77 -24.089 -22.971 -8.620 1.00 31.42 C ATOM 1191 NE2 HIS A 77 -23.427 -23.218 -7.480 1.00 42.12 N ATOM 0 H HIS A 77 -23.453 -28.874 -9.619 1.00 21.23 H new ATOM 0 HA HIS A 77 -25.264 -26.963 -8.361 1.00 63.13 H new ATOM 0 HB2 HIS A 77 -22.633 -26.964 -8.657 1.00 73.11 H new ATOM 0 HB3 HIS A 77 -23.002 -26.359 -10.260 1.00 73.11 H new ATOM 0 HD2 HIS A 77 -22.501 -25.073 -6.756 1.00 41.44 H new ATOM 0 HE1 HIS A 77 -24.511 -22.012 -8.883 1.00 31.42 H new ATOM 0 HE2 HIS A 77 -23.238 -22.552 -6.730 1.00 42.12 H new ATOM 1199 N LYS A 78 -26.093 -25.709 -10.520 1.00 62.23 N ATOM 1200 CA LYS A 78 -26.964 -25.314 -11.615 1.00 35.41 C ATOM 1201 C LYS A 78 -26.788 -23.833 -11.947 1.00 0.41 C ATOM 1202 O LYS A 78 -27.179 -22.960 -11.168 1.00 50.13 O ATOM 1203 CB LYS A 78 -28.428 -25.609 -11.260 1.00 4.30 C ATOM 1204 CG LYS A 78 -29.421 -25.176 -12.330 1.00 20.13 C ATOM 1205 CD LYS A 78 -29.170 -25.884 -13.651 1.00 13.24 C ATOM 1206 CE LYS A 78 -29.567 -27.351 -13.604 1.00 31.31 C ATOM 1207 NZ LYS A 78 -31.038 -27.530 -13.498 1.00 50.44 N ATOM 0 H LYS A 78 -25.975 -24.997 -9.799 1.00 62.23 H new ATOM 0 HA LYS A 78 -26.689 -25.894 -12.496 1.00 35.41 H new ATOM 0 HB2 LYS A 78 -28.541 -26.679 -11.085 1.00 4.30 H new ATOM 0 HB3 LYS A 78 -28.674 -25.105 -10.325 1.00 4.30 H new ATOM 0 HG2 LYS A 78 -30.435 -25.387 -11.991 1.00 20.13 H new ATOM 0 HG3 LYS A 78 -29.351 -24.098 -12.476 1.00 20.13 H new ATOM 0 HD2 LYS A 78 -29.730 -25.384 -14.441 1.00 13.24 H new ATOM 0 HD3 LYS A 78 -28.114 -25.804 -13.909 1.00 13.24 H new ATOM 0 HE2 LYS A 78 -29.205 -27.853 -14.501 1.00 31.31 H new ATOM 0 HE3 LYS A 78 -29.082 -27.830 -12.754 1.00 31.31 H new ATOM 0 HZ1 LYS A 78 -31.282 -28.523 -13.689 1.00 50.44 H new ATOM 0 HZ2 LYS A 78 -31.351 -27.275 -12.539 1.00 50.44 H new ATOM 0 HZ3 LYS A 78 -31.513 -26.917 -14.191 1.00 50.44 H new ATOM 1221 N VAL A 79 -26.190 -23.561 -13.099 1.00 51.12 N ATOM 1222 CA VAL A 79 -26.037 -22.197 -13.591 1.00 63.21 C ATOM 1223 C VAL A 79 -26.313 -22.153 -15.094 1.00 52.42 C ATOM 1224 O VAL A 79 -25.787 -22.971 -15.849 1.00 52.04 O ATOM 1225 CB VAL A 79 -24.630 -21.613 -13.266 1.00 10.24 C ATOM 1226 CG1 VAL A 79 -23.530 -22.621 -13.539 1.00 31.11 C ATOM 1227 CG2 VAL A 79 -24.369 -20.327 -14.041 1.00 32.12 C ATOM 0 H VAL A 79 -25.799 -24.274 -13.716 1.00 51.12 H new ATOM 0 HA VAL A 79 -26.765 -21.570 -13.076 1.00 63.21 H new ATOM 0 HB VAL A 79 -24.622 -21.381 -12.201 1.00 10.24 H new ATOM 0 HG11 VAL A 79 -22.563 -22.178 -13.301 1.00 31.11 H new ATOM 0 HG12 VAL A 79 -23.686 -23.506 -12.922 1.00 31.11 H new ATOM 0 HG13 VAL A 79 -23.550 -22.905 -14.591 1.00 31.11 H new ATOM 0 HG21 VAL A 79 -23.379 -19.946 -13.791 1.00 32.12 H new ATOM 0 HG22 VAL A 79 -24.420 -20.530 -15.111 1.00 32.12 H new ATOM 0 HG23 VAL A 79 -25.121 -19.584 -13.776 1.00 32.12 H new ATOM 1237 N ASP A 80 -27.189 -21.229 -15.501 1.00 40.33 N ATOM 1238 CA ASP A 80 -27.615 -21.084 -16.901 1.00 35.33 C ATOM 1239 C ASP A 80 -28.390 -22.327 -17.354 1.00 21.44 C ATOM 1240 O ASP A 80 -28.428 -22.669 -18.536 1.00 44.02 O ATOM 1241 CB ASP A 80 -26.406 -20.825 -17.817 1.00 14.44 C ATOM 1242 CG ASP A 80 -26.801 -20.513 -19.250 1.00 52.23 C ATOM 1243 OD1 ASP A 80 -27.577 -19.562 -19.465 1.00 72.43 O ATOM 1244 OD2 ASP A 80 -26.324 -21.211 -20.166 1.00 72.34 O ATOM 0 H ASP A 80 -27.625 -20.558 -14.869 1.00 40.33 H new ATOM 0 HA ASP A 80 -28.278 -20.222 -16.972 1.00 35.33 H new ATOM 0 HB2 ASP A 80 -25.826 -19.993 -17.417 1.00 14.44 H new ATOM 0 HB3 ASP A 80 -25.756 -21.700 -17.808 1.00 14.44 H new ATOM 1249 N GLY A 81 -29.035 -22.987 -16.402 1.00 61.03 N ATOM 1250 CA GLY A 81 -29.757 -24.210 -16.704 1.00 64.24 C ATOM 1251 C GLY A 81 -28.818 -25.359 -17.007 1.00 4.21 C ATOM 1252 O GLY A 81 -29.223 -26.381 -17.565 1.00 51.32 O ATOM 0 H GLY A 81 -29.072 -22.698 -15.424 1.00 61.03 H new ATOM 0 HA2 GLY A 81 -30.393 -24.474 -15.859 1.00 64.24 H new ATOM 0 HA3 GLY A 81 -30.414 -24.043 -17.558 1.00 64.24 H new ATOM 1256 N ARG A 82 -27.561 -25.190 -16.633 1.00 22.13 N ATOM 1257 CA ARG A 82 -26.537 -26.183 -16.889 1.00 54.45 C ATOM 1258 C ARG A 82 -25.967 -26.707 -15.574 1.00 60.00 C ATOM 1259 O ARG A 82 -25.617 -25.926 -14.687 1.00 52.42 O ATOM 1260 CB ARG A 82 -25.432 -25.557 -17.747 1.00 22.42 C ATOM 1261 CG ARG A 82 -24.289 -26.495 -18.096 1.00 15.34 C ATOM 1262 CD ARG A 82 -24.771 -27.716 -18.854 1.00 11.44 C ATOM 1263 NE ARG A 82 -25.360 -27.360 -20.143 1.00 3.12 N ATOM 1264 CZ ARG A 82 -25.213 -28.082 -21.250 1.00 52.21 C ATOM 1265 NH1 ARG A 82 -24.423 -29.148 -21.247 1.00 40.15 N ATOM 1266 NH2 ARG A 82 -25.831 -27.715 -22.364 1.00 62.44 N ATOM 0 H ARG A 82 -27.224 -24.361 -16.144 1.00 22.13 H new ATOM 0 HA ARG A 82 -26.973 -27.025 -17.426 1.00 54.45 H new ATOM 0 HB2 ARG A 82 -25.875 -25.187 -18.672 1.00 22.42 H new ATOM 0 HB3 ARG A 82 -25.027 -24.693 -17.219 1.00 22.42 H new ATOM 0 HG2 ARG A 82 -23.553 -25.962 -18.697 1.00 15.34 H new ATOM 0 HG3 ARG A 82 -23.786 -26.810 -17.182 1.00 15.34 H new ATOM 0 HD2 ARG A 82 -23.936 -28.398 -19.013 1.00 11.44 H new ATOM 0 HD3 ARG A 82 -25.508 -28.249 -18.253 1.00 11.44 H new ATOM 0 HE ARG A 82 -25.917 -26.507 -20.197 1.00 3.12 H new ATOM 0 HH11 ARG A 82 -23.928 -29.414 -20.395 1.00 40.15 H new ATOM 0 HH12 ARG A 82 -24.310 -29.702 -22.096 1.00 40.15 H new ATOM 0 HH21 ARG A 82 -26.418 -26.881 -22.371 1.00 62.44 H new ATOM 0 HH22 ARG A 82 -25.720 -28.267 -23.214 1.00 62.44 H new ATOM 1280 N VAL A 83 -25.910 -28.026 -15.442 1.00 35.20 N ATOM 1281 CA VAL A 83 -25.315 -28.651 -14.270 1.00 3.32 C ATOM 1282 C VAL A 83 -23.798 -28.635 -14.388 1.00 12.54 C ATOM 1283 O VAL A 83 -23.233 -29.219 -15.312 1.00 42.03 O ATOM 1284 CB VAL A 83 -25.806 -30.104 -14.087 1.00 21.22 C ATOM 1285 CG1 VAL A 83 -25.101 -30.772 -12.916 1.00 21.55 C ATOM 1286 CG2 VAL A 83 -27.314 -30.137 -13.888 1.00 31.22 C ATOM 0 H VAL A 83 -26.269 -28.684 -16.134 1.00 35.20 H new ATOM 0 HA VAL A 83 -25.624 -28.078 -13.396 1.00 3.32 H new ATOM 0 HB VAL A 83 -25.563 -30.660 -14.993 1.00 21.22 H new ATOM 0 HG11 VAL A 83 -25.464 -31.794 -12.808 1.00 21.55 H new ATOM 0 HG12 VAL A 83 -24.026 -30.786 -13.098 1.00 21.55 H new ATOM 0 HG13 VAL A 83 -25.307 -30.215 -12.002 1.00 21.55 H new ATOM 0 HG21 VAL A 83 -27.642 -31.169 -13.761 1.00 31.22 H new ATOM 0 HG22 VAL A 83 -27.577 -29.561 -13.001 1.00 31.22 H new ATOM 0 HG23 VAL A 83 -27.806 -29.705 -14.760 1.00 31.22 H new ATOM 1296 N VAL A 84 -23.143 -27.957 -13.460 1.00 50.30 N ATOM 1297 CA VAL A 84 -21.699 -27.795 -13.517 1.00 74.54 C ATOM 1298 C VAL A 84 -21.013 -28.522 -12.370 1.00 42.11 C ATOM 1299 O VAL A 84 -21.649 -28.880 -11.373 1.00 1.13 O ATOM 1300 CB VAL A 84 -21.294 -26.307 -13.490 1.00 21.31 C ATOM 1301 CG1 VAL A 84 -21.899 -25.571 -14.670 1.00 44.13 C ATOM 1302 CG2 VAL A 84 -21.711 -25.652 -12.182 1.00 62.33 C ATOM 0 H VAL A 84 -23.588 -27.510 -12.658 1.00 50.30 H new ATOM 0 HA VAL A 84 -21.374 -28.232 -14.461 1.00 74.54 H new ATOM 0 HB VAL A 84 -20.208 -26.250 -13.565 1.00 21.31 H new ATOM 0 HG11 VAL A 84 -21.603 -24.522 -14.635 1.00 44.13 H new ATOM 0 HG12 VAL A 84 -21.544 -26.018 -15.599 1.00 44.13 H new ATOM 0 HG13 VAL A 84 -22.986 -25.643 -14.625 1.00 44.13 H new ATOM 0 HG21 VAL A 84 -21.414 -24.603 -12.189 1.00 62.33 H new ATOM 0 HG22 VAL A 84 -22.793 -25.722 -12.069 1.00 62.33 H new ATOM 0 HG23 VAL A 84 -21.226 -26.161 -11.349 1.00 62.33 H new ATOM 1312 N GLU A 85 -19.714 -28.730 -12.519 1.00 41.32 N ATOM 1313 CA GLU A 85 -18.924 -29.405 -11.503 1.00 53.30 C ATOM 1314 C GLU A 85 -17.872 -28.454 -10.935 1.00 50.45 C ATOM 1315 O GLU A 85 -16.880 -28.147 -11.596 1.00 34.21 O ATOM 1316 CB GLU A 85 -18.257 -30.649 -12.091 1.00 21.41 C ATOM 1317 CG GLU A 85 -17.492 -31.477 -11.071 1.00 13.31 C ATOM 1318 CD GLU A 85 -16.939 -32.754 -11.664 1.00 52.33 C ATOM 1319 OE1 GLU A 85 -15.784 -32.748 -12.135 1.00 32.32 O ATOM 1320 OE2 GLU A 85 -17.656 -33.776 -11.659 1.00 53.45 O ATOM 0 H GLU A 85 -19.183 -28.439 -13.339 1.00 41.32 H new ATOM 0 HA GLU A 85 -19.585 -29.716 -10.694 1.00 53.30 H new ATOM 0 HB2 GLU A 85 -19.020 -31.275 -12.553 1.00 21.41 H new ATOM 0 HB3 GLU A 85 -17.573 -30.343 -12.883 1.00 21.41 H new ATOM 0 HG2 GLU A 85 -16.673 -30.883 -10.666 1.00 13.31 H new ATOM 0 HG3 GLU A 85 -18.151 -31.722 -10.238 1.00 13.31 H new ATOM 1327 N PRO A 86 -18.099 -27.956 -9.711 1.00 73.33 N ATOM 1328 CA PRO A 86 -17.189 -27.040 -9.039 1.00 30.12 C ATOM 1329 C PRO A 86 -16.121 -27.770 -8.224 1.00 22.01 C ATOM 1330 O PRO A 86 -16.429 -28.448 -7.242 1.00 10.35 O ATOM 1331 CB PRO A 86 -18.122 -26.233 -8.119 1.00 3.35 C ATOM 1332 CG PRO A 86 -19.443 -26.948 -8.110 1.00 53.45 C ATOM 1333 CD PRO A 86 -19.272 -28.228 -8.884 1.00 74.02 C ATOM 0 HA PRO A 86 -16.628 -26.427 -9.744 1.00 30.12 H new ATOM 0 HB2 PRO A 86 -17.711 -26.167 -7.112 1.00 3.35 H new ATOM 0 HB3 PRO A 86 -18.237 -25.212 -8.483 1.00 3.35 H new ATOM 0 HG2 PRO A 86 -19.758 -27.158 -7.088 1.00 53.45 H new ATOM 0 HG3 PRO A 86 -20.217 -26.328 -8.561 1.00 53.45 H new ATOM 0 HD2 PRO A 86 -19.112 -29.081 -8.224 1.00 74.02 H new ATOM 0 HD3 PRO A 86 -20.150 -28.454 -9.490 1.00 74.02 H new ATOM 1341 N LYS A 87 -14.865 -27.636 -8.637 1.00 24.12 N ATOM 1342 CA LYS A 87 -13.752 -28.295 -7.955 1.00 20.43 C ATOM 1343 C LYS A 87 -12.668 -27.287 -7.585 1.00 21.44 C ATOM 1344 O LYS A 87 -12.616 -26.200 -8.148 1.00 72.10 O ATOM 1345 CB LYS A 87 -13.166 -29.394 -8.846 1.00 40.13 C ATOM 1346 CG LYS A 87 -14.153 -30.508 -9.148 1.00 4.33 C ATOM 1347 CD LYS A 87 -13.593 -31.524 -10.129 1.00 70.41 C ATOM 1348 CE LYS A 87 -13.370 -30.911 -11.502 1.00 61.43 C ATOM 1349 NZ LYS A 87 -13.217 -31.954 -12.549 1.00 33.22 N ATOM 0 H LYS A 87 -14.590 -27.075 -9.443 1.00 24.12 H new ATOM 0 HA LYS A 87 -14.130 -28.744 -7.037 1.00 20.43 H new ATOM 0 HB2 LYS A 87 -12.829 -28.952 -9.784 1.00 40.13 H new ATOM 0 HB3 LYS A 87 -12.287 -29.818 -8.359 1.00 40.13 H new ATOM 0 HG2 LYS A 87 -14.423 -31.013 -8.220 1.00 4.33 H new ATOM 0 HG3 LYS A 87 -15.068 -30.079 -9.556 1.00 4.33 H new ATOM 0 HD2 LYS A 87 -12.651 -31.918 -9.748 1.00 70.41 H new ATOM 0 HD3 LYS A 87 -14.280 -32.366 -10.213 1.00 70.41 H new ATOM 0 HE2 LYS A 87 -14.210 -30.264 -11.753 1.00 61.43 H new ATOM 0 HE3 LYS A 87 -12.479 -30.283 -11.480 1.00 61.43 H new ATOM 0 HZ1 LYS A 87 -12.852 -31.520 -13.421 1.00 33.22 H new ATOM 0 HZ2 LYS A 87 -12.551 -32.682 -12.219 1.00 33.22 H new ATOM 0 HZ3 LYS A 87 -14.141 -32.391 -12.741 1.00 33.22 H new ATOM 1363 N ARG A 88 -11.819 -27.646 -6.623 1.00 73.43 N ATOM 1364 CA ARG A 88 -10.716 -26.782 -6.200 1.00 42.12 C ATOM 1365 C ARG A 88 -9.798 -26.477 -7.382 1.00 12.44 C ATOM 1366 O ARG A 88 -9.407 -27.384 -8.124 1.00 5.21 O ATOM 1367 CB ARG A 88 -9.907 -27.450 -5.080 1.00 52.50 C ATOM 1368 CG ARG A 88 -9.770 -26.610 -3.818 1.00 52.43 C ATOM 1369 CD ARG A 88 -11.106 -26.438 -3.115 1.00 70.11 C ATOM 1370 NE ARG A 88 -10.971 -25.811 -1.801 1.00 62.30 N ATOM 1371 CZ ARG A 88 -11.792 -26.043 -0.773 1.00 23.33 C ATOM 1372 NH1 ARG A 88 -12.788 -26.914 -0.890 1.00 23.52 N ATOM 1373 NH2 ARG A 88 -11.593 -25.425 0.381 1.00 21.21 N ATOM 0 H ARG A 88 -11.874 -28.532 -6.120 1.00 73.43 H new ATOM 0 HA ARG A 88 -11.139 -25.850 -5.824 1.00 42.12 H new ATOM 0 HB2 ARG A 88 -10.380 -28.397 -4.822 1.00 52.50 H new ATOM 0 HB3 ARG A 88 -8.911 -27.683 -5.457 1.00 52.50 H new ATOM 0 HG2 ARG A 88 -9.059 -27.083 -3.140 1.00 52.43 H new ATOM 0 HG3 ARG A 88 -9.364 -25.631 -4.074 1.00 52.43 H new ATOM 0 HD2 ARG A 88 -11.765 -25.832 -3.737 1.00 70.11 H new ATOM 0 HD3 ARG A 88 -11.581 -27.412 -3.002 1.00 70.11 H new ATOM 0 HE ARG A 88 -10.202 -25.156 -1.661 1.00 62.30 H new ATOM 0 HH11 ARG A 88 -12.930 -27.411 -1.769 1.00 23.52 H new ATOM 0 HH12 ARG A 88 -13.411 -27.086 -0.101 1.00 23.52 H new ATOM 0 HH21 ARG A 88 -10.815 -24.774 0.483 1.00 21.21 H new ATOM 0 HH22 ARG A 88 -12.218 -25.600 1.168 1.00 21.21 H new ATOM 1387 N ALA A 89 -9.459 -25.209 -7.554 1.00 51.21 N ATOM 1388 CA ALA A 89 -8.659 -24.784 -8.690 1.00 71.21 C ATOM 1389 C ALA A 89 -7.174 -25.058 -8.479 1.00 4.11 C ATOM 1390 O ALA A 89 -6.723 -25.309 -7.362 1.00 30.33 O ATOM 1391 CB ALA A 89 -8.889 -23.309 -8.970 1.00 52.34 C ATOM 0 H ALA A 89 -9.726 -24.456 -6.920 1.00 51.21 H new ATOM 0 HA ALA A 89 -8.978 -25.369 -9.553 1.00 71.21 H new ATOM 0 HB1 ALA A 89 -8.284 -23.002 -9.823 1.00 52.34 H new ATOM 0 HB2 ALA A 89 -9.943 -23.141 -9.193 1.00 52.34 H new ATOM 0 HB3 ALA A 89 -8.605 -22.724 -8.095 1.00 52.34 H new ATOM 1397 N VAL A 90 -6.429 -25.034 -9.576 1.00 54.02 N ATOM 1398 CA VAL A 90 -4.979 -25.194 -9.545 1.00 55.03 C ATOM 1399 C VAL A 90 -4.321 -23.913 -10.041 1.00 73.31 C ATOM 1400 O VAL A 90 -4.936 -23.162 -10.786 1.00 23.21 O ATOM 1401 CB VAL A 90 -4.524 -26.369 -10.443 1.00 2.43 C ATOM 1402 CG1 VAL A 90 -3.048 -26.672 -10.238 1.00 31.23 C ATOM 1403 CG2 VAL A 90 -5.368 -27.607 -10.189 1.00 33.52 C ATOM 0 H VAL A 90 -6.811 -24.903 -10.513 1.00 54.02 H new ATOM 0 HA VAL A 90 -4.682 -25.406 -8.518 1.00 55.03 H new ATOM 0 HB VAL A 90 -4.667 -26.070 -11.481 1.00 2.43 H new ATOM 0 HG11 VAL A 90 -2.754 -27.502 -10.881 1.00 31.23 H new ATOM 0 HG12 VAL A 90 -2.457 -25.791 -10.490 1.00 31.23 H new ATOM 0 HG13 VAL A 90 -2.873 -26.941 -9.196 1.00 31.23 H new ATOM 0 HG21 VAL A 90 -5.027 -28.418 -10.833 1.00 33.52 H new ATOM 0 HG22 VAL A 90 -5.270 -27.906 -9.146 1.00 33.52 H new ATOM 0 HG23 VAL A 90 -6.413 -27.386 -10.406 1.00 33.52 H new