USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=16 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 22 SER OG : rot 168:sc= 2.43 USER MOD Set 1.2: A 25 THR OG1 : rot 55:sc= 1.12 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -168:sc= 2.19 (180deg=0.477) USER MOD Set 2.2: A 61 THR OG1 : rot 69:sc= -0.536! USER MOD Single : A 12 GLN : amide:sc= -0.0634 K(o=-0.063,f=-0.82) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 29 SER OG : rot 1:sc= 1.06 USER MOD Single : A 32 SER OG : rot 80:sc= 0.39 USER MOD Single : A 33 HIS : no HE2:sc= 0.144 K(o=0.14,f=-1.5) USER MOD Single : A 36 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.013) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 110:sc= 0.161 USER MOD Single : A 43 CYS SG : rot 31:sc= 0.0228 USER MOD Single : A 46 MET CE :methyl 162:sc= -0.779 (180deg=-1.52) USER MOD Single : A 62 TYR OH : rot 31:sc= 0.812 USER MOD Single : A 64 THR OG1 : rot 150:sc= -1.33 USER MOD Single : A 72 MET CE :methyl 174:sc= -1.84 (180deg=-1.89) USER MOD Single : A 73 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.56) USER MOD Single : A 77 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-5.2!) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.195) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.511 -17.388 -3.627 1.00 64.32 N ATOM 149 CA GLU A 11 -6.522 -17.298 -4.668 1.00 24.11 C ATOM 150 C GLU A 11 -6.773 -18.663 -5.297 1.00 64.21 C ATOM 151 O GLU A 11 -7.906 -18.992 -5.642 1.00 54.40 O ATOM 152 CB GLU A 11 -6.088 -16.289 -5.734 1.00 21.43 C ATOM 153 CG GLU A 11 -6.975 -16.281 -6.966 1.00 44.24 C ATOM 154 CD GLU A 11 -6.659 -15.150 -7.916 1.00 74.34 C ATOM 155 OE1 GLU A 11 -7.605 -14.596 -8.506 1.00 24.13 O ATOM 156 OE2 GLU A 11 -5.468 -14.803 -8.070 1.00 14.42 O ATOM 0 HA GLU A 11 -7.454 -16.956 -4.218 1.00 24.11 H new ATOM 0 HB2 GLU A 11 -6.082 -15.291 -5.296 1.00 21.43 H new ATOM 0 HB3 GLU A 11 -5.064 -16.511 -6.036 1.00 21.43 H new ATOM 0 HG2 GLU A 11 -6.866 -17.230 -7.491 1.00 44.24 H new ATOM 0 HG3 GLU A 11 -8.017 -16.206 -6.656 1.00 44.24 H new ATOM 163 N GLN A 12 -5.712 -19.454 -5.418 1.00 43.41 N ATOM 164 CA GLN A 12 -5.788 -20.783 -6.018 1.00 50.50 C ATOM 165 C GLN A 12 -6.895 -21.634 -5.398 1.00 13.22 C ATOM 166 O GLN A 12 -7.807 -22.073 -6.094 1.00 11.51 O ATOM 167 CB GLN A 12 -4.445 -21.508 -5.878 1.00 42.30 C ATOM 168 CG GLN A 12 -4.526 -23.001 -6.151 1.00 61.34 C ATOM 169 CD GLN A 12 -3.199 -23.701 -5.966 1.00 21.33 C ATOM 170 OE1 GLN A 12 -2.348 -23.259 -5.195 1.00 32.11 O ATOM 171 NE2 GLN A 12 -3.026 -24.820 -6.649 1.00 62.43 N ATOM 0 H GLN A 12 -4.777 -19.194 -5.104 1.00 43.41 H new ATOM 0 HA GLN A 12 -6.025 -20.644 -7.073 1.00 50.50 H new ATOM 0 HB2 GLN A 12 -3.727 -21.060 -6.565 1.00 42.30 H new ATOM 0 HB3 GLN A 12 -4.061 -21.352 -4.870 1.00 42.30 H new ATOM 0 HG2 GLN A 12 -5.264 -23.448 -5.485 1.00 61.34 H new ATOM 0 HG3 GLN A 12 -4.878 -23.161 -7.170 1.00 61.34 H new ATOM 0 HE21 GLN A 12 -3.757 -25.152 -7.278 1.00 62.43 H new ATOM 0 HE22 GLN A 12 -2.161 -25.351 -6.547 1.00 62.43 H new ATOM 180 N LEU A 13 -6.826 -21.857 -4.091 1.00 45.22 N ATOM 181 CA LEU A 13 -7.726 -22.809 -3.456 1.00 12.23 C ATOM 182 C LEU A 13 -9.071 -22.168 -3.119 1.00 65.23 C ATOM 183 O LEU A 13 -10.007 -22.856 -2.710 1.00 43.13 O ATOM 184 CB LEU A 13 -7.081 -23.431 -2.207 1.00 41.14 C ATOM 185 CG LEU A 13 -7.484 -22.828 -0.859 1.00 53.34 C ATOM 186 CD1 LEU A 13 -7.041 -23.739 0.271 1.00 64.43 C ATOM 187 CD2 LEU A 13 -6.887 -21.444 -0.680 1.00 70.04 C ATOM 0 H LEU A 13 -6.168 -21.400 -3.460 1.00 45.22 H new ATOM 0 HA LEU A 13 -7.914 -23.610 -4.171 1.00 12.23 H new ATOM 0 HB2 LEU A 13 -7.323 -24.494 -2.191 1.00 41.14 H new ATOM 0 HB3 LEU A 13 -5.998 -23.352 -2.306 1.00 41.14 H new ATOM 0 HG LEU A 13 -8.570 -22.734 -0.838 1.00 53.34 H new ATOM 0 HD11 LEU A 13 -7.332 -23.302 1.226 1.00 64.43 H new ATOM 0 HD12 LEU A 13 -7.515 -24.714 0.159 1.00 64.43 H new ATOM 0 HD13 LEU A 13 -5.958 -23.856 0.241 1.00 64.43 H new ATOM 0 HD21 LEU A 13 -7.189 -21.039 0.286 1.00 70.04 H new ATOM 0 HD22 LEU A 13 -5.800 -21.509 -0.722 1.00 70.04 H new ATOM 0 HD23 LEU A 13 -7.242 -20.789 -1.475 1.00 70.04 H new ATOM 199 N ARG A 14 -9.168 -20.854 -3.277 1.00 71.11 N ATOM 200 CA ARG A 14 -10.446 -20.176 -3.106 1.00 4.42 C ATOM 201 C ARG A 14 -11.167 -20.091 -4.441 1.00 11.05 C ATOM 202 O ARG A 14 -12.372 -19.845 -4.493 1.00 22.54 O ATOM 203 CB ARG A 14 -10.277 -18.768 -2.536 1.00 34.11 C ATOM 204 CG ARG A 14 -9.720 -18.713 -1.128 1.00 30.13 C ATOM 205 CD ARG A 14 -9.725 -17.286 -0.606 1.00 70.00 C ATOM 206 NE ARG A 14 -8.767 -16.430 -1.312 1.00 23.22 N ATOM 207 CZ ARG A 14 -9.105 -15.376 -2.057 1.00 35.43 C ATOM 208 NH1 ARG A 14 -10.383 -15.084 -2.271 1.00 72.13 N ATOM 209 NH2 ARG A 14 -8.160 -14.620 -2.600 1.00 62.12 N ATOM 0 H ARG A 14 -8.388 -20.243 -3.520 1.00 71.11 H new ATOM 0 HA ARG A 14 -11.031 -20.760 -2.396 1.00 4.42 H new ATOM 0 HB2 ARG A 14 -9.618 -18.202 -3.194 1.00 34.11 H new ATOM 0 HB3 ARG A 14 -11.246 -18.268 -2.548 1.00 34.11 H new ATOM 0 HG2 ARG A 14 -10.314 -19.348 -0.471 1.00 30.13 H new ATOM 0 HG3 ARG A 14 -8.703 -19.106 -1.118 1.00 30.13 H new ATOM 0 HD2 ARG A 14 -10.726 -16.868 -0.709 1.00 70.00 H new ATOM 0 HD3 ARG A 14 -9.489 -17.290 0.458 1.00 70.00 H new ATOM 0 HE ARG A 14 -7.776 -16.655 -1.228 1.00 23.22 H new ATOM 0 HH11 ARG A 14 -11.114 -15.667 -1.865 1.00 72.13 H new ATOM 0 HH12 ARG A 14 -10.633 -14.276 -2.842 1.00 72.13 H new ATOM 0 HH21 ARG A 14 -7.177 -14.845 -2.448 1.00 62.12 H new ATOM 0 HH22 ARG A 14 -8.417 -13.814 -3.170 1.00 62.12 H new ATOM 223 N LYS A 15 -10.420 -20.280 -5.521 1.00 1.13 N ATOM 224 CA LYS A 15 -10.990 -20.218 -6.852 1.00 51.45 C ATOM 225 C LYS A 15 -11.590 -21.562 -7.218 1.00 12.03 C ATOM 226 O LYS A 15 -10.954 -22.608 -7.077 1.00 64.13 O ATOM 227 CB LYS A 15 -9.938 -19.804 -7.885 1.00 42.33 C ATOM 228 CG LYS A 15 -10.537 -19.339 -9.204 1.00 24.33 C ATOM 229 CD LYS A 15 -9.465 -19.020 -10.239 1.00 31.00 C ATOM 230 CE LYS A 15 -8.506 -17.942 -9.763 1.00 75.14 C ATOM 231 NZ LYS A 15 -9.177 -16.633 -9.531 1.00 21.33 N ATOM 0 H LYS A 15 -9.419 -20.477 -5.497 1.00 1.13 H new ATOM 0 HA LYS A 15 -11.776 -19.462 -6.855 1.00 51.45 H new ATOM 0 HB2 LYS A 15 -9.327 -19.003 -7.469 1.00 42.33 H new ATOM 0 HB3 LYS A 15 -9.273 -20.647 -8.073 1.00 42.33 H new ATOM 0 HG2 LYS A 15 -11.198 -20.113 -9.594 1.00 24.33 H new ATOM 0 HG3 LYS A 15 -11.149 -18.454 -9.032 1.00 24.33 H new ATOM 0 HD2 LYS A 15 -8.904 -19.926 -10.469 1.00 31.00 H new ATOM 0 HD3 LYS A 15 -9.941 -18.696 -11.164 1.00 31.00 H new ATOM 0 HE2 LYS A 15 -8.029 -18.269 -8.839 1.00 75.14 H new ATOM 0 HE3 LYS A 15 -7.715 -17.814 -10.502 1.00 75.14 H new ATOM 0 HZ1 LYS A 15 -8.458 -15.892 -9.407 1.00 21.33 H new ATOM 0 HZ2 LYS A 15 -9.777 -16.401 -10.348 1.00 21.33 H new ATOM 0 HZ3 LYS A 15 -9.765 -16.691 -8.675 1.00 21.33 H new ATOM 245 N LEU A 16 -12.827 -21.522 -7.655 1.00 72.55 N ATOM 246 CA LEU A 16 -13.542 -22.711 -8.050 1.00 4.43 C ATOM 247 C LEU A 16 -13.506 -22.853 -9.564 1.00 41.41 C ATOM 248 O LEU A 16 -13.848 -21.921 -10.294 1.00 43.02 O ATOM 249 CB LEU A 16 -14.983 -22.605 -7.558 1.00 25.42 C ATOM 250 CG LEU A 16 -15.686 -23.926 -7.277 1.00 53.31 C ATOM 251 CD1 LEU A 16 -14.824 -24.810 -6.396 1.00 71.32 C ATOM 252 CD2 LEU A 16 -17.027 -23.662 -6.613 1.00 54.15 C ATOM 0 H LEU A 16 -13.367 -20.661 -7.747 1.00 72.55 H new ATOM 0 HA LEU A 16 -13.074 -23.592 -7.611 1.00 4.43 H new ATOM 0 HB2 LEU A 16 -14.993 -22.009 -6.646 1.00 25.42 H new ATOM 0 HB3 LEU A 16 -15.562 -22.058 -8.302 1.00 25.42 H new ATOM 0 HG LEU A 16 -15.853 -24.445 -8.221 1.00 53.31 H new ATOM 0 HD11 LEU A 16 -15.342 -25.750 -6.205 1.00 71.32 H new ATOM 0 HD12 LEU A 16 -13.878 -25.013 -6.898 1.00 71.32 H new ATOM 0 HD13 LEU A 16 -14.631 -24.304 -5.450 1.00 71.32 H new ATOM 0 HD21 LEU A 16 -17.527 -24.610 -6.414 1.00 54.15 H new ATOM 0 HD22 LEU A 16 -16.870 -23.130 -5.675 1.00 54.15 H new ATOM 0 HD23 LEU A 16 -17.647 -23.057 -7.274 1.00 54.15 H new ATOM 264 N PHE A 17 -13.066 -24.008 -10.024 1.00 61.50 N ATOM 265 CA PHE A 17 -13.054 -24.322 -11.439 1.00 4.01 C ATOM 266 C PHE A 17 -14.419 -24.839 -11.851 1.00 73.14 C ATOM 267 O PHE A 17 -14.846 -25.910 -11.416 1.00 32.03 O ATOM 268 CB PHE A 17 -11.974 -25.363 -11.752 1.00 44.30 C ATOM 269 CG PHE A 17 -12.048 -25.916 -13.150 1.00 42.30 C ATOM 270 CD1 PHE A 17 -12.211 -27.275 -13.362 1.00 33.31 C ATOM 271 CD2 PHE A 17 -11.963 -25.078 -14.250 1.00 5.51 C ATOM 272 CE1 PHE A 17 -12.286 -27.786 -14.643 1.00 74.03 C ATOM 273 CE2 PHE A 17 -12.038 -25.584 -15.532 1.00 13.43 C ATOM 274 CZ PHE A 17 -12.199 -26.941 -15.729 1.00 41.34 C ATOM 0 H PHE A 17 -12.707 -24.754 -9.428 1.00 61.50 H new ATOM 0 HA PHE A 17 -12.825 -23.417 -12.002 1.00 4.01 H new ATOM 0 HB2 PHE A 17 -10.993 -24.911 -11.602 1.00 44.30 H new ATOM 0 HB3 PHE A 17 -12.059 -26.185 -11.041 1.00 44.30 H new ATOM 0 HD1 PHE A 17 -12.280 -27.943 -12.516 1.00 33.31 H new ATOM 0 HD2 PHE A 17 -11.836 -24.016 -14.103 1.00 5.51 H new ATOM 0 HE1 PHE A 17 -12.413 -28.848 -14.794 1.00 74.03 H new ATOM 0 HE2 PHE A 17 -11.971 -24.919 -16.380 1.00 13.43 H new ATOM 0 HZ PHE A 17 -12.257 -27.340 -16.731 1.00 41.34 H new ATOM 284 N ILE A 18 -15.106 -24.066 -12.668 1.00 52.33 N ATOM 285 CA ILE A 18 -16.442 -24.417 -13.097 1.00 34.34 C ATOM 286 C ILE A 18 -16.410 -24.922 -14.525 1.00 71.31 C ATOM 287 O ILE A 18 -16.483 -24.135 -15.465 1.00 0.45 O ATOM 288 CB ILE A 18 -17.402 -23.213 -13.015 1.00 31.20 C ATOM 289 CG1 ILE A 18 -17.212 -22.460 -11.697 1.00 24.21 C ATOM 290 CG2 ILE A 18 -18.845 -23.672 -13.167 1.00 4.23 C ATOM 291 CD1 ILE A 18 -17.337 -23.330 -10.466 1.00 4.33 C ATOM 0 H ILE A 18 -14.757 -23.186 -13.049 1.00 52.33 H new ATOM 0 HA ILE A 18 -16.806 -25.196 -12.428 1.00 34.34 H new ATOM 0 HB ILE A 18 -17.169 -22.531 -13.833 1.00 31.20 H new ATOM 0 HG12 ILE A 18 -16.229 -21.989 -11.698 1.00 24.21 H new ATOM 0 HG13 ILE A 18 -17.949 -21.659 -11.639 1.00 24.21 H new ATOM 0 HG21 ILE A 18 -19.509 -22.810 -13.107 1.00 4.23 H new ATOM 0 HG22 ILE A 18 -18.972 -24.161 -14.133 1.00 4.23 H new ATOM 0 HG23 ILE A 18 -19.089 -24.375 -12.370 1.00 4.23 H new ATOM 0 HD11 ILE A 18 -17.189 -22.721 -9.574 1.00 4.33 H new ATOM 0 HD12 ILE A 18 -18.329 -23.780 -10.438 1.00 4.33 H new ATOM 0 HD13 ILE A 18 -16.583 -24.116 -10.498 1.00 4.33 H new ATOM 303 N GLY A 19 -16.276 -26.223 -14.690 1.00 31.34 N ATOM 304 CA GLY A 19 -16.253 -26.786 -16.015 1.00 44.33 C ATOM 305 C GLY A 19 -17.585 -27.390 -16.365 1.00 63.42 C ATOM 306 O GLY A 19 -18.257 -27.965 -15.506 1.00 62.04 O ATOM 0 H GLY A 19 -16.183 -26.898 -13.931 1.00 31.34 H new ATOM 0 HA2 GLY A 19 -15.999 -26.012 -16.739 1.00 44.33 H new ATOM 0 HA3 GLY A 19 -15.476 -27.548 -16.077 1.00 44.33 H new ATOM 310 N GLY A 20 -17.984 -27.243 -17.611 1.00 14.41 N ATOM 311 CA GLY A 20 -19.241 -27.795 -18.042 1.00 22.25 C ATOM 312 C GLY A 20 -20.378 -26.818 -17.869 1.00 75.44 C ATOM 313 O GLY A 20 -21.460 -27.195 -17.434 1.00 21.21 O ATOM 0 H GLY A 20 -17.459 -26.750 -18.333 1.00 14.41 H new ATOM 0 HA2 GLY A 20 -19.169 -28.085 -19.090 1.00 22.25 H new ATOM 0 HA3 GLY A 20 -19.452 -28.701 -17.474 1.00 22.25 H new ATOM 317 N LEU A 21 -20.121 -25.557 -18.179 1.00 43.24 N ATOM 318 CA LEU A 21 -21.168 -24.549 -18.198 1.00 33.24 C ATOM 319 C LEU A 21 -21.513 -24.217 -19.642 1.00 74.22 C ATOM 320 O LEU A 21 -20.767 -24.577 -20.552 1.00 74.23 O ATOM 321 CB LEU A 21 -20.754 -23.300 -17.398 1.00 74.24 C ATOM 322 CG LEU A 21 -19.353 -22.744 -17.675 1.00 62.24 C ATOM 323 CD1 LEU A 21 -19.331 -21.905 -18.940 1.00 30.30 C ATOM 324 CD2 LEU A 21 -18.875 -21.924 -16.489 1.00 22.32 C ATOM 0 H LEU A 21 -19.194 -25.207 -18.421 1.00 43.24 H new ATOM 0 HA LEU A 21 -22.060 -24.942 -17.710 1.00 33.24 H new ATOM 0 HB2 LEU A 21 -21.480 -22.511 -17.597 1.00 74.24 H new ATOM 0 HB3 LEU A 21 -20.823 -23.536 -16.336 1.00 74.24 H new ATOM 0 HG LEU A 21 -18.678 -23.587 -17.823 1.00 62.24 H new ATOM 0 HD11 LEU A 21 -18.323 -21.526 -19.108 1.00 30.30 H new ATOM 0 HD12 LEU A 21 -19.634 -22.518 -19.789 1.00 30.30 H new ATOM 0 HD13 LEU A 21 -20.021 -21.068 -18.833 1.00 30.30 H new ATOM 0 HD21 LEU A 21 -17.879 -21.533 -16.695 1.00 22.32 H new ATOM 0 HD22 LEU A 21 -19.562 -21.095 -16.319 1.00 22.32 H new ATOM 0 HD23 LEU A 21 -18.841 -22.555 -15.601 1.00 22.32 H new ATOM 336 N SER A 22 -22.627 -23.537 -19.852 1.00 42.35 N ATOM 337 CA SER A 22 -23.155 -23.337 -21.194 1.00 41.12 C ATOM 338 C SER A 22 -22.361 -22.283 -21.961 1.00 74.31 C ATOM 339 O SER A 22 -21.463 -21.637 -21.417 1.00 64.42 O ATOM 340 CB SER A 22 -24.623 -22.923 -21.113 1.00 24.02 C ATOM 341 OG SER A 22 -24.758 -21.662 -20.479 1.00 75.41 O ATOM 0 H SER A 22 -23.185 -23.113 -19.111 1.00 42.35 H new ATOM 0 HA SER A 22 -23.066 -24.280 -21.734 1.00 41.12 H new ATOM 0 HB2 SER A 22 -25.048 -22.878 -22.116 1.00 24.02 H new ATOM 0 HB3 SER A 22 -25.187 -23.675 -20.561 1.00 24.02 H new ATOM 0 HG SER A 22 -25.670 -21.328 -20.606 1.00 75.41 H new ATOM 347 N PHE A 23 -22.708 -22.103 -23.230 1.00 42.24 N ATOM 348 CA PHE A 23 -22.084 -21.078 -24.052 1.00 74.33 C ATOM 349 C PHE A 23 -22.803 -19.752 -23.856 1.00 34.41 C ATOM 350 O PHE A 23 -22.476 -18.748 -24.489 1.00 53.10 O ATOM 351 CB PHE A 23 -22.098 -21.476 -25.528 1.00 14.31 C ATOM 352 CG PHE A 23 -21.301 -22.715 -25.819 1.00 32.32 C ATOM 353 CD1 PHE A 23 -21.938 -23.905 -26.120 1.00 52.02 C ATOM 354 CD2 PHE A 23 -19.917 -22.688 -25.786 1.00 20.01 C ATOM 355 CE1 PHE A 23 -21.208 -25.049 -26.385 1.00 14.02 C ATOM 356 CE2 PHE A 23 -19.180 -23.828 -26.050 1.00 2.33 C ATOM 357 CZ PHE A 23 -19.827 -25.010 -26.350 1.00 50.31 C ATOM 0 H PHE A 23 -23.419 -22.655 -23.711 1.00 42.24 H new ATOM 0 HA PHE A 23 -21.044 -20.972 -23.742 1.00 74.33 H new ATOM 0 HB2 PHE A 23 -23.129 -21.634 -25.844 1.00 14.31 H new ATOM 0 HB3 PHE A 23 -21.704 -20.652 -26.123 1.00 14.31 H new ATOM 0 HD1 PHE A 23 -23.017 -23.941 -26.148 1.00 52.02 H new ATOM 0 HD2 PHE A 23 -19.407 -21.765 -25.551 1.00 20.01 H new ATOM 0 HE1 PHE A 23 -21.717 -25.972 -26.619 1.00 14.02 H new ATOM 0 HE2 PHE A 23 -18.101 -23.794 -26.022 1.00 2.33 H new ATOM 0 HZ PHE A 23 -19.255 -25.902 -26.557 1.00 50.31 H new ATOM 367 N GLU A 24 -23.793 -19.763 -22.975 1.00 75.44 N ATOM 368 CA GLU A 24 -24.522 -18.560 -22.634 1.00 75.14 C ATOM 369 C GLU A 24 -24.151 -18.117 -21.227 1.00 1.14 C ATOM 370 O GLU A 24 -24.501 -17.020 -20.794 1.00 12.24 O ATOM 371 CB GLU A 24 -26.027 -18.799 -22.751 1.00 2.53 C ATOM 372 CG GLU A 24 -26.425 -19.414 -24.083 1.00 14.14 C ATOM 373 CD GLU A 24 -27.921 -19.414 -24.312 1.00 15.24 C ATOM 374 OE1 GLU A 24 -28.575 -20.433 -24.011 1.00 74.32 O ATOM 375 OE2 GLU A 24 -28.451 -18.396 -24.806 1.00 10.23 O ATOM 0 H GLU A 24 -24.108 -20.599 -22.483 1.00 75.44 H new ATOM 0 HA GLU A 24 -24.252 -17.767 -23.332 1.00 75.14 H new ATOM 0 HB2 GLU A 24 -26.350 -19.455 -21.942 1.00 2.53 H new ATOM 0 HB3 GLU A 24 -26.552 -17.852 -22.622 1.00 2.53 H new ATOM 0 HG2 GLU A 24 -25.940 -18.865 -24.890 1.00 14.14 H new ATOM 0 HG3 GLU A 24 -26.056 -20.439 -24.128 1.00 14.14 H new ATOM 382 N THR A 25 -23.443 -18.988 -20.515 1.00 61.41 N ATOM 383 CA THR A 25 -22.921 -18.657 -19.200 1.00 33.11 C ATOM 384 C THR A 25 -21.893 -17.535 -19.316 1.00 44.22 C ATOM 385 O THR A 25 -20.945 -17.627 -20.099 1.00 21.31 O ATOM 386 CB THR A 25 -22.274 -19.883 -18.521 1.00 21.12 C ATOM 387 OG1 THR A 25 -23.215 -20.964 -18.451 1.00 24.04 O ATOM 388 CG2 THR A 25 -21.799 -19.535 -17.116 1.00 51.24 C ATOM 0 H THR A 25 -23.219 -19.931 -20.831 1.00 61.41 H new ATOM 0 HA THR A 25 -23.758 -18.330 -18.583 1.00 33.11 H new ATOM 0 HB THR A 25 -21.415 -20.186 -19.119 1.00 21.12 H new ATOM 0 HG1 THR A 25 -23.564 -21.153 -19.347 1.00 24.04 H new ATOM 0 HG21 THR A 25 -21.347 -20.414 -16.657 1.00 51.24 H new ATOM 0 HG22 THR A 25 -21.062 -18.733 -17.169 1.00 51.24 H new ATOM 0 HG23 THR A 25 -22.648 -19.208 -16.515 1.00 51.24 H new ATOM 396 N THR A 26 -22.090 -16.474 -18.555 1.00 61.54 N ATOM 397 CA THR A 26 -21.221 -15.316 -18.623 1.00 64.13 C ATOM 398 C THR A 26 -20.804 -14.892 -17.225 1.00 34.53 C ATOM 399 O THR A 26 -21.379 -15.344 -16.239 1.00 61.15 O ATOM 400 CB THR A 26 -21.901 -14.155 -19.390 1.00 63.53 C ATOM 401 OG1 THR A 26 -21.058 -12.997 -19.418 1.00 24.21 O ATOM 402 CG2 THR A 26 -23.244 -13.801 -18.775 1.00 3.12 C ATOM 0 H THR A 26 -22.849 -16.391 -17.879 1.00 61.54 H new ATOM 0 HA THR A 26 -20.323 -15.586 -19.178 1.00 64.13 H new ATOM 0 HB THR A 26 -22.067 -14.494 -20.413 1.00 63.53 H new ATOM 0 HG1 THR A 26 -21.507 -12.277 -19.909 1.00 24.21 H new ATOM 0 HG21 THR A 26 -23.696 -12.983 -19.335 1.00 3.12 H new ATOM 0 HG22 THR A 26 -23.900 -14.671 -18.809 1.00 3.12 H new ATOM 0 HG23 THR A 26 -23.100 -13.495 -17.739 1.00 3.12 H new ATOM 410 N ASP A 27 -19.791 -14.042 -17.156 1.00 51.21 N ATOM 411 CA ASP A 27 -19.171 -13.647 -15.896 1.00 32.30 C ATOM 412 C ASP A 27 -20.204 -13.158 -14.891 1.00 33.52 C ATOM 413 O ASP A 27 -20.138 -13.484 -13.702 1.00 52.53 O ATOM 414 CB ASP A 27 -18.141 -12.550 -16.151 1.00 71.12 C ATOM 415 CG ASP A 27 -17.053 -12.978 -17.115 1.00 13.43 C ATOM 416 OD1 ASP A 27 -17.318 -13.023 -18.336 1.00 33.11 O ATOM 417 OD2 ASP A 27 -15.927 -13.261 -16.658 1.00 0.45 O ATOM 0 H ASP A 27 -19.372 -13.603 -17.976 1.00 51.21 H new ATOM 0 HA ASP A 27 -18.682 -14.525 -15.473 1.00 32.30 H new ATOM 0 HB2 ASP A 27 -18.646 -11.669 -16.548 1.00 71.12 H new ATOM 0 HB3 ASP A 27 -17.687 -12.257 -15.204 1.00 71.12 H new ATOM 422 N GLU A 28 -21.167 -12.394 -15.380 1.00 23.13 N ATOM 423 CA GLU A 28 -22.202 -11.830 -14.529 1.00 32.14 C ATOM 424 C GLU A 28 -23.144 -12.903 -14.003 1.00 22.42 C ATOM 425 O GLU A 28 -23.501 -12.890 -12.826 1.00 13.11 O ATOM 426 CB GLU A 28 -22.984 -10.755 -15.285 1.00 10.22 C ATOM 427 CG GLU A 28 -23.608 -11.249 -16.578 1.00 33.23 C ATOM 428 CD GLU A 28 -24.442 -10.197 -17.274 1.00 62.53 C ATOM 429 OE1 GLU A 28 -25.642 -10.071 -16.947 1.00 11.45 O ATOM 430 OE2 GLU A 28 -23.907 -9.502 -18.162 1.00 72.22 O ATOM 0 H GLU A 28 -21.254 -12.149 -16.366 1.00 23.13 H new ATOM 0 HA GLU A 28 -21.712 -11.373 -13.669 1.00 32.14 H new ATOM 0 HB2 GLU A 28 -23.770 -10.368 -14.637 1.00 10.22 H new ATOM 0 HB3 GLU A 28 -22.317 -9.923 -15.509 1.00 10.22 H new ATOM 0 HG2 GLU A 28 -22.818 -11.582 -17.251 1.00 33.23 H new ATOM 0 HG3 GLU A 28 -24.232 -12.117 -16.365 1.00 33.23 H new ATOM 437 N SER A 29 -23.525 -13.852 -14.850 1.00 2.43 N ATOM 438 CA SER A 29 -24.459 -14.874 -14.425 1.00 54.34 C ATOM 439 C SER A 29 -23.732 -15.909 -13.588 1.00 32.14 C ATOM 440 O SER A 29 -24.292 -16.466 -12.647 1.00 25.31 O ATOM 441 CB SER A 29 -25.150 -15.522 -15.624 1.00 75.24 C ATOM 442 OG SER A 29 -24.213 -16.002 -16.570 1.00 31.30 O ATOM 0 H SER A 29 -23.206 -13.931 -15.816 1.00 2.43 H new ATOM 0 HA SER A 29 -25.236 -14.411 -13.817 1.00 54.34 H new ATOM 0 HB2 SER A 29 -25.777 -16.346 -15.282 1.00 75.24 H new ATOM 0 HB3 SER A 29 -25.809 -14.796 -16.100 1.00 75.24 H new ATOM 0 HG SER A 29 -23.304 -15.823 -16.250 1.00 31.30 H new ATOM 448 N LEU A 30 -22.456 -16.112 -13.901 1.00 22.54 N ATOM 449 CA LEU A 30 -21.638 -17.062 -13.166 1.00 35.24 C ATOM 450 C LEU A 30 -21.541 -16.631 -11.718 1.00 54.22 C ATOM 451 O LEU A 30 -21.714 -17.437 -10.807 1.00 40.22 O ATOM 452 CB LEU A 30 -20.228 -17.166 -13.753 1.00 2.34 C ATOM 453 CG LEU A 30 -19.328 -18.197 -13.060 1.00 22.22 C ATOM 454 CD1 LEU A 30 -19.691 -19.605 -13.498 1.00 45.43 C ATOM 455 CD2 LEU A 30 -17.858 -17.914 -13.328 1.00 2.24 C ATOM 0 H LEU A 30 -21.970 -15.631 -14.658 1.00 22.54 H new ATOM 0 HA LEU A 30 -22.113 -18.040 -13.242 1.00 35.24 H new ATOM 0 HB2 LEU A 30 -20.305 -17.421 -14.810 1.00 2.34 H new ATOM 0 HB3 LEU A 30 -19.751 -16.188 -13.696 1.00 2.34 H new ATOM 0 HG LEU A 30 -19.493 -18.116 -11.986 1.00 22.22 H new ATOM 0 HD11 LEU A 30 -19.041 -20.321 -12.995 1.00 45.43 H new ATOM 0 HD12 LEU A 30 -20.729 -19.811 -13.237 1.00 45.43 H new ATOM 0 HD13 LEU A 30 -19.564 -19.695 -14.577 1.00 45.43 H new ATOM 0 HD21 LEU A 30 -17.246 -18.662 -12.824 1.00 2.24 H new ATOM 0 HD22 LEU A 30 -17.669 -17.954 -14.401 1.00 2.24 H new ATOM 0 HD23 LEU A 30 -17.604 -16.923 -12.952 1.00 2.24 H new ATOM 467 N ARG A 31 -21.279 -15.347 -11.505 1.00 62.42 N ATOM 468 CA ARG A 31 -21.151 -14.841 -10.157 1.00 71.53 C ATOM 469 C ARG A 31 -22.498 -14.914 -9.445 1.00 54.13 C ATOM 470 O ARG A 31 -22.569 -15.353 -8.311 1.00 13.44 O ATOM 471 CB ARG A 31 -20.572 -13.416 -10.127 1.00 55.15 C ATOM 472 CG ARG A 31 -21.606 -12.305 -10.042 1.00 31.13 C ATOM 473 CD ARG A 31 -20.947 -10.945 -9.879 1.00 4.25 C ATOM 474 NE ARG A 31 -20.291 -10.831 -8.578 1.00 52.41 N ATOM 475 CZ ARG A 31 -19.276 -10.014 -8.311 1.00 64.31 C ATOM 476 NH1 ARG A 31 -18.847 -9.152 -9.223 1.00 30.23 N ATOM 477 NH2 ARG A 31 -18.713 -10.043 -7.110 1.00 1.44 N ATOM 0 H ARG A 31 -21.154 -14.652 -12.241 1.00 62.42 H new ATOM 0 HA ARG A 31 -20.440 -15.472 -9.624 1.00 71.53 H new ATOM 0 HB2 ARG A 31 -19.899 -13.331 -9.274 1.00 55.15 H new ATOM 0 HB3 ARG A 31 -19.971 -13.265 -11.024 1.00 55.15 H new ATOM 0 HG2 ARG A 31 -22.220 -12.308 -10.943 1.00 31.13 H new ATOM 0 HG3 ARG A 31 -22.273 -12.491 -9.201 1.00 31.13 H new ATOM 0 HD2 ARG A 31 -20.216 -10.794 -10.673 1.00 4.25 H new ATOM 0 HD3 ARG A 31 -21.696 -10.160 -9.982 1.00 4.25 H new ATOM 0 HE ARG A 31 -20.636 -11.420 -7.820 1.00 52.41 H new ATOM 0 HH11 ARG A 31 -19.296 -9.112 -10.138 1.00 30.23 H new ATOM 0 HH12 ARG A 31 -18.068 -8.529 -9.009 1.00 30.23 H new ATOM 0 HH21 ARG A 31 -19.059 -10.688 -6.400 1.00 1.44 H new ATOM 0 HH22 ARG A 31 -17.934 -9.420 -6.897 1.00 1.44 H new ATOM 491 N SER A 32 -23.571 -14.536 -10.127 1.00 72.42 N ATOM 492 CA SER A 32 -24.898 -14.567 -9.520 1.00 61.34 C ATOM 493 C SER A 32 -25.309 -15.990 -9.129 1.00 63.30 C ATOM 494 O SER A 32 -26.009 -16.194 -8.139 1.00 3.31 O ATOM 495 CB SER A 32 -25.928 -13.963 -10.468 1.00 14.25 C ATOM 496 OG SER A 32 -25.646 -12.600 -10.723 1.00 42.13 O ATOM 0 H SER A 32 -23.551 -14.207 -11.092 1.00 72.42 H new ATOM 0 HA SER A 32 -24.858 -13.971 -8.608 1.00 61.34 H new ATOM 0 HB2 SER A 32 -25.934 -14.518 -11.406 1.00 14.25 H new ATOM 0 HB3 SER A 32 -26.924 -14.057 -10.036 1.00 14.25 H new ATOM 0 HG SER A 32 -24.934 -12.533 -11.393 1.00 42.13 H new ATOM 502 N HIS A 33 -24.870 -16.974 -9.901 1.00 4.23 N ATOM 503 CA HIS A 33 -25.189 -18.364 -9.611 1.00 54.23 C ATOM 504 C HIS A 33 -24.265 -18.949 -8.545 1.00 3.33 C ATOM 505 O HIS A 33 -24.573 -19.984 -7.964 1.00 35.33 O ATOM 506 CB HIS A 33 -25.127 -19.216 -10.882 1.00 72.42 C ATOM 507 CG HIS A 33 -26.359 -19.127 -11.734 1.00 72.25 C ATOM 508 ND1 HIS A 33 -26.363 -18.453 -12.932 1.00 32.12 N ATOM 509 CD2 HIS A 33 -27.585 -19.662 -11.528 1.00 14.13 C ATOM 510 CE1 HIS A 33 -27.579 -18.594 -13.425 1.00 4.42 C ATOM 511 NE2 HIS A 33 -28.356 -19.318 -12.610 1.00 54.45 N ATOM 0 H HIS A 33 -24.293 -16.836 -10.731 1.00 4.23 H new ATOM 0 HA HIS A 33 -26.207 -18.382 -9.221 1.00 54.23 H new ATOM 0 HB2 HIS A 33 -24.265 -18.907 -11.473 1.00 72.42 H new ATOM 0 HB3 HIS A 33 -24.965 -20.257 -10.602 1.00 72.42 H new ATOM 0 HD1 HIS A 33 -25.584 -17.947 -13.354 1.00 32.12 H new ATOM 0 HD2 HIS A 33 -27.897 -20.247 -10.676 1.00 14.13 H new ATOM 0 HE1 HIS A 33 -27.906 -18.178 -14.367 1.00 4.42 H new ATOM 519 N PHE A 34 -23.146 -18.294 -8.270 1.00 35.04 N ATOM 520 CA PHE A 34 -22.199 -18.823 -7.292 1.00 53.04 C ATOM 521 C PHE A 34 -22.111 -17.967 -6.031 1.00 11.52 C ATOM 522 O PHE A 34 -21.679 -18.453 -4.988 1.00 31.15 O ATOM 523 CB PHE A 34 -20.817 -19.010 -7.916 1.00 45.40 C ATOM 524 CG PHE A 34 -20.709 -20.277 -8.711 1.00 53.31 C ATOM 525 CD1 PHE A 34 -20.371 -21.465 -8.089 1.00 41.44 C ATOM 526 CD2 PHE A 34 -20.958 -20.284 -10.071 1.00 63.13 C ATOM 527 CE1 PHE A 34 -20.287 -22.639 -8.808 1.00 43.43 C ATOM 528 CE2 PHE A 34 -20.872 -21.454 -10.797 1.00 4.40 C ATOM 529 CZ PHE A 34 -20.539 -22.634 -10.165 1.00 32.44 C ATOM 0 H PHE A 34 -22.872 -17.411 -8.700 1.00 35.04 H new ATOM 0 HA PHE A 34 -22.581 -19.797 -6.985 1.00 53.04 H new ATOM 0 HB2 PHE A 34 -20.596 -18.160 -8.562 1.00 45.40 H new ATOM 0 HB3 PHE A 34 -20.064 -19.015 -7.128 1.00 45.40 H new ATOM 0 HD1 PHE A 34 -20.170 -21.474 -7.028 1.00 41.44 H new ATOM 0 HD2 PHE A 34 -21.223 -19.364 -10.570 1.00 63.13 H new ATOM 0 HE1 PHE A 34 -20.024 -23.561 -8.310 1.00 43.43 H new ATOM 0 HE2 PHE A 34 -21.065 -21.446 -11.860 1.00 4.40 H new ATOM 0 HZ PHE A 34 -20.476 -23.552 -10.731 1.00 32.44 H new ATOM 539 N GLU A 35 -22.546 -16.714 -6.103 1.00 10.22 N ATOM 540 CA GLU A 35 -22.569 -15.850 -4.922 1.00 33.44 C ATOM 541 C GLU A 35 -23.754 -16.203 -4.030 1.00 32.13 C ATOM 542 O GLU A 35 -24.103 -15.469 -3.104 1.00 63.23 O ATOM 543 CB GLU A 35 -22.611 -14.368 -5.300 1.00 22.45 C ATOM 544 CG GLU A 35 -21.356 -13.896 -6.009 1.00 61.32 C ATOM 545 CD GLU A 35 -21.246 -12.389 -6.086 1.00 33.34 C ATOM 546 OE1 GLU A 35 -20.257 -11.832 -5.565 1.00 61.52 O ATOM 547 OE2 GLU A 35 -22.134 -11.751 -6.688 1.00 31.12 O ATOM 0 H GLU A 35 -22.886 -16.274 -6.958 1.00 10.22 H new ATOM 0 HA GLU A 35 -21.644 -16.022 -4.372 1.00 33.44 H new ATOM 0 HB2 GLU A 35 -23.473 -14.188 -5.942 1.00 22.45 H new ATOM 0 HB3 GLU A 35 -22.756 -13.774 -4.398 1.00 22.45 H new ATOM 0 HG2 GLU A 35 -20.483 -14.292 -5.490 1.00 61.32 H new ATOM 0 HG3 GLU A 35 -21.340 -14.307 -7.018 1.00 61.32 H new ATOM 554 N GLN A 36 -24.358 -17.346 -4.312 1.00 54.22 N ATOM 555 CA GLN A 36 -25.476 -17.842 -3.531 1.00 61.30 C ATOM 556 C GLN A 36 -24.988 -18.497 -2.246 1.00 3.22 C ATOM 557 O GLN A 36 -25.610 -18.366 -1.192 1.00 31.12 O ATOM 558 CB GLN A 36 -26.285 -18.844 -4.349 1.00 11.42 C ATOM 559 CG GLN A 36 -27.107 -18.207 -5.452 1.00 72.14 C ATOM 560 CD GLN A 36 -27.879 -19.227 -6.260 1.00 34.45 C ATOM 561 OE1 GLN A 36 -29.022 -19.553 -5.944 1.00 61.14 O ATOM 562 NE2 GLN A 36 -27.245 -19.755 -7.289 1.00 64.53 N ATOM 0 H GLN A 36 -24.087 -17.953 -5.086 1.00 54.22 H new ATOM 0 HA GLN A 36 -26.112 -16.996 -3.270 1.00 61.30 H new ATOM 0 HB2 GLN A 36 -25.605 -19.573 -4.789 1.00 11.42 H new ATOM 0 HB3 GLN A 36 -26.951 -19.391 -3.682 1.00 11.42 H new ATOM 0 HG2 GLN A 36 -27.803 -17.491 -5.015 1.00 72.14 H new ATOM 0 HG3 GLN A 36 -26.448 -17.646 -6.115 1.00 72.14 H new ATOM 0 HE21 GLN A 36 -26.297 -19.453 -7.513 1.00 64.53 H new ATOM 0 HE22 GLN A 36 -27.703 -20.465 -7.860 1.00 64.53 H new ATOM 571 N TRP A 37 -23.864 -19.193 -2.336 1.00 31.22 N ATOM 572 CA TRP A 37 -23.321 -19.912 -1.193 1.00 75.23 C ATOM 573 C TRP A 37 -22.085 -19.206 -0.658 1.00 64.21 C ATOM 574 O TRP A 37 -21.372 -19.737 0.192 1.00 44.11 O ATOM 575 CB TRP A 37 -22.984 -21.357 -1.579 1.00 74.44 C ATOM 576 CG TRP A 37 -24.176 -22.130 -2.063 1.00 64.50 C ATOM 577 CD1 TRP A 37 -25.016 -22.897 -1.310 1.00 74.22 C ATOM 578 CD2 TRP A 37 -24.663 -22.206 -3.408 1.00 32.45 C ATOM 579 NE1 TRP A 37 -25.999 -23.436 -2.101 1.00 72.10 N ATOM 580 CE2 TRP A 37 -25.803 -23.030 -3.393 1.00 21.44 C ATOM 581 CE3 TRP A 37 -24.248 -21.658 -4.622 1.00 70.42 C ATOM 582 CZ2 TRP A 37 -26.532 -23.317 -4.542 1.00 71.15 C ATOM 583 CZ3 TRP A 37 -24.973 -21.944 -5.762 1.00 14.42 C ATOM 584 CH2 TRP A 37 -26.103 -22.766 -5.716 1.00 12.53 C ATOM 0 H TRP A 37 -23.310 -19.275 -3.189 1.00 31.22 H new ATOM 0 HA TRP A 37 -24.077 -19.930 -0.408 1.00 75.23 H new ATOM 0 HB2 TRP A 37 -22.222 -21.350 -2.358 1.00 74.44 H new ATOM 0 HB3 TRP A 37 -22.554 -21.866 -0.717 1.00 74.44 H new ATOM 0 HD1 TRP A 37 -24.921 -23.057 -0.246 1.00 74.22 H new ATOM 0 HE1 TRP A 37 -26.754 -24.041 -1.778 1.00 72.10 H new ATOM 0 HE3 TRP A 37 -23.376 -21.022 -4.669 1.00 70.42 H new ATOM 0 HZ2 TRP A 37 -27.405 -23.952 -4.507 1.00 71.15 H new ATOM 0 HZ3 TRP A 37 -24.661 -21.525 -6.707 1.00 14.42 H new ATOM 0 HH2 TRP A 37 -26.647 -22.969 -6.626 1.00 12.53 H new ATOM 595 N GLY A 38 -21.843 -17.996 -1.145 1.00 22.35 N ATOM 596 CA GLY A 38 -20.691 -17.246 -0.687 1.00 12.34 C ATOM 597 C GLY A 38 -20.468 -15.959 -1.451 1.00 21.43 C ATOM 598 O GLY A 38 -21.347 -15.499 -2.175 1.00 31.15 O ATOM 0 H GLY A 38 -22.418 -17.524 -1.843 1.00 22.35 H new ATOM 0 HA2 GLY A 38 -20.815 -17.015 0.371 1.00 12.34 H new ATOM 0 HA3 GLY A 38 -19.802 -17.871 -0.775 1.00 12.34 H new ATOM 602 N THR A 39 -19.288 -15.384 -1.279 1.00 12.14 N ATOM 603 CA THR A 39 -18.924 -14.136 -1.928 1.00 32.04 C ATOM 604 C THR A 39 -17.769 -14.355 -2.902 1.00 55.41 C ATOM 605 O THR A 39 -16.717 -14.856 -2.518 1.00 75.13 O ATOM 606 CB THR A 39 -18.518 -13.083 -0.873 1.00 14.20 C ATOM 607 OG1 THR A 39 -19.659 -12.707 -0.087 1.00 13.01 O ATOM 608 CG2 THR A 39 -17.909 -11.850 -1.521 1.00 72.11 C ATOM 0 H THR A 39 -18.555 -15.771 -0.684 1.00 12.14 H new ATOM 0 HA THR A 39 -19.790 -13.775 -2.482 1.00 32.04 H new ATOM 0 HB THR A 39 -17.763 -13.533 -0.228 1.00 14.20 H new ATOM 0 HG1 THR A 39 -19.392 -12.041 0.580 1.00 13.01 H new ATOM 0 HG21 THR A 39 -17.635 -11.131 -0.749 1.00 72.11 H new ATOM 0 HG22 THR A 39 -17.019 -12.136 -2.082 1.00 72.11 H new ATOM 0 HG23 THR A 39 -18.635 -11.398 -2.197 1.00 72.11 H new ATOM 616 N LEU A 40 -17.963 -13.991 -4.162 1.00 43.44 N ATOM 617 CA LEU A 40 -16.914 -14.144 -5.156 1.00 61.52 C ATOM 618 C LEU A 40 -16.096 -12.866 -5.268 1.00 65.01 C ATOM 619 O LEU A 40 -16.577 -11.841 -5.752 1.00 63.21 O ATOM 620 CB LEU A 40 -17.514 -14.525 -6.508 1.00 73.14 C ATOM 621 CG LEU A 40 -18.428 -15.741 -6.458 1.00 41.45 C ATOM 622 CD1 LEU A 40 -19.174 -15.901 -7.760 1.00 24.12 C ATOM 623 CD2 LEU A 40 -17.635 -16.990 -6.128 1.00 35.03 C ATOM 0 H LEU A 40 -18.831 -13.591 -4.517 1.00 43.44 H new ATOM 0 HA LEU A 40 -16.248 -14.947 -4.839 1.00 61.52 H new ATOM 0 HB2 LEU A 40 -18.076 -13.676 -6.897 1.00 73.14 H new ATOM 0 HB3 LEU A 40 -16.705 -14.720 -7.211 1.00 73.14 H new ATOM 0 HG LEU A 40 -19.162 -15.588 -5.667 1.00 41.45 H new ATOM 0 HD11 LEU A 40 -19.822 -16.776 -7.703 1.00 24.12 H new ATOM 0 HD12 LEU A 40 -19.779 -15.013 -7.944 1.00 24.12 H new ATOM 0 HD13 LEU A 40 -18.461 -16.030 -8.574 1.00 24.12 H new ATOM 0 HD21 LEU A 40 -18.305 -17.849 -6.097 1.00 35.03 H new ATOM 0 HD22 LEU A 40 -16.875 -17.151 -6.892 1.00 35.03 H new ATOM 0 HD23 LEU A 40 -17.154 -16.870 -5.157 1.00 35.03 H new ATOM 635 N THR A 41 -14.860 -12.938 -4.801 1.00 73.30 N ATOM 636 CA THR A 41 -13.948 -11.813 -4.852 1.00 73.42 C ATOM 637 C THR A 41 -13.319 -11.711 -6.237 1.00 54.32 C ATOM 638 O THR A 41 -12.776 -10.674 -6.621 1.00 42.00 O ATOM 639 CB THR A 41 -12.844 -11.960 -3.784 1.00 72.24 C ATOM 640 OG1 THR A 41 -12.098 -13.166 -4.007 1.00 72.42 O ATOM 641 CG2 THR A 41 -13.449 -11.999 -2.389 1.00 4.15 C ATOM 0 H THR A 41 -14.464 -13.777 -4.377 1.00 73.30 H new ATOM 0 HA THR A 41 -14.512 -10.903 -4.647 1.00 73.42 H new ATOM 0 HB THR A 41 -12.181 -11.099 -3.862 1.00 72.24 H new ATOM 0 HG1 THR A 41 -11.197 -12.940 -4.318 1.00 72.42 H new ATOM 0 HG21 THR A 41 -12.654 -12.103 -1.650 1.00 4.15 H new ATOM 0 HG22 THR A 41 -13.997 -11.075 -2.204 1.00 4.15 H new ATOM 0 HG23 THR A 41 -14.130 -12.847 -2.311 1.00 4.15 H new ATOM 649 N ASP A 42 -13.404 -12.807 -6.980 1.00 10.45 N ATOM 650 CA ASP A 42 -12.872 -12.871 -8.329 1.00 34.40 C ATOM 651 C ASP A 42 -13.703 -13.807 -9.184 1.00 30.32 C ATOM 652 O ASP A 42 -13.633 -15.024 -9.030 1.00 22.32 O ATOM 653 CB ASP A 42 -11.429 -13.361 -8.305 1.00 63.21 C ATOM 654 CG ASP A 42 -10.827 -13.461 -9.691 1.00 61.43 C ATOM 655 OD1 ASP A 42 -10.794 -14.577 -10.250 1.00 43.32 O ATOM 656 OD2 ASP A 42 -10.378 -12.420 -10.218 1.00 24.13 O ATOM 0 H ASP A 42 -13.842 -13.672 -6.663 1.00 10.45 H new ATOM 0 HA ASP A 42 -12.908 -11.869 -8.756 1.00 34.40 H new ATOM 0 HB2 ASP A 42 -10.828 -12.682 -7.700 1.00 63.21 H new ATOM 0 HB3 ASP A 42 -11.388 -14.338 -7.823 1.00 63.21 H new ATOM 661 N CYS A 43 -14.504 -13.246 -10.063 1.00 63.45 N ATOM 662 CA CYS A 43 -15.293 -14.049 -10.973 1.00 12.11 C ATOM 663 C CYS A 43 -14.830 -13.820 -12.406 1.00 24.22 C ATOM 664 O CYS A 43 -14.643 -12.678 -12.831 1.00 5.34 O ATOM 665 CB CYS A 43 -16.784 -13.728 -10.817 1.00 22.23 C ATOM 666 SG CYS A 43 -17.197 -11.977 -11.014 1.00 41.00 S ATOM 0 H CYS A 43 -14.627 -12.239 -10.167 1.00 63.45 H new ATOM 0 HA CYS A 43 -15.151 -15.102 -10.731 1.00 12.11 H new ATOM 0 HB2 CYS A 43 -17.346 -14.306 -11.550 1.00 22.23 H new ATOM 0 HB3 CYS A 43 -17.113 -14.058 -9.831 1.00 22.23 H new ATOM 0 HG CYS A 43 -16.360 -11.424 -11.841 1.00 41.00 H new ATOM 672 N VAL A 44 -14.610 -14.900 -13.138 1.00 52.23 N ATOM 673 CA VAL A 44 -14.140 -14.798 -14.511 1.00 11.31 C ATOM 674 C VAL A 44 -14.505 -16.045 -15.311 1.00 54.53 C ATOM 675 O VAL A 44 -14.205 -17.167 -14.914 1.00 62.03 O ATOM 676 CB VAL A 44 -12.609 -14.551 -14.571 1.00 53.15 C ATOM 677 CG1 VAL A 44 -11.840 -15.635 -13.824 1.00 23.14 C ATOM 678 CG2 VAL A 44 -12.131 -14.453 -16.013 1.00 33.33 C ATOM 0 H VAL A 44 -14.749 -15.855 -12.806 1.00 52.23 H new ATOM 0 HA VAL A 44 -14.640 -13.940 -14.960 1.00 11.31 H new ATOM 0 HB VAL A 44 -12.411 -13.600 -14.077 1.00 53.15 H new ATOM 0 HG11 VAL A 44 -10.771 -15.431 -13.886 1.00 23.14 H new ATOM 0 HG12 VAL A 44 -12.148 -15.644 -12.778 1.00 23.14 H new ATOM 0 HG13 VAL A 44 -12.051 -16.606 -14.273 1.00 23.14 H new ATOM 0 HG21 VAL A 44 -11.055 -14.280 -16.029 1.00 33.33 H new ATOM 0 HG22 VAL A 44 -12.356 -15.383 -16.535 1.00 33.33 H new ATOM 0 HG23 VAL A 44 -12.639 -13.626 -16.509 1.00 33.33 H new ATOM 688 N VAL A 45 -15.180 -15.840 -16.425 1.00 1.34 N ATOM 689 CA VAL A 45 -15.516 -16.927 -17.328 1.00 64.23 C ATOM 690 C VAL A 45 -14.543 -16.934 -18.497 1.00 71.42 C ATOM 691 O VAL A 45 -14.088 -15.880 -18.934 1.00 61.11 O ATOM 692 CB VAL A 45 -16.963 -16.798 -17.858 1.00 22.54 C ATOM 693 CG1 VAL A 45 -17.258 -17.853 -18.912 1.00 13.45 C ATOM 694 CG2 VAL A 45 -17.957 -16.905 -16.716 1.00 62.11 C ATOM 0 H VAL A 45 -15.509 -14.924 -16.729 1.00 1.34 H new ATOM 0 HA VAL A 45 -15.443 -17.863 -16.774 1.00 64.23 H new ATOM 0 HB VAL A 45 -17.063 -15.817 -18.323 1.00 22.54 H new ATOM 0 HG11 VAL A 45 -18.282 -17.737 -19.266 1.00 13.45 H new ATOM 0 HG12 VAL A 45 -16.569 -17.734 -19.749 1.00 13.45 H new ATOM 0 HG13 VAL A 45 -17.134 -18.845 -18.478 1.00 13.45 H new ATOM 0 HG21 VAL A 45 -18.971 -16.812 -17.106 1.00 62.11 H new ATOM 0 HG22 VAL A 45 -17.844 -17.872 -16.225 1.00 62.11 H new ATOM 0 HG23 VAL A 45 -17.771 -16.108 -15.996 1.00 62.11 H new ATOM 704 N MET A 46 -14.210 -18.115 -18.988 1.00 30.02 N ATOM 705 CA MET A 46 -13.343 -18.218 -20.144 1.00 24.40 C ATOM 706 C MET A 46 -14.165 -18.150 -21.410 1.00 24.22 C ATOM 707 O MET A 46 -15.167 -18.857 -21.550 1.00 32.03 O ATOM 708 CB MET A 46 -12.543 -19.512 -20.122 1.00 24.41 C ATOM 709 CG MET A 46 -11.670 -19.654 -18.895 1.00 70.31 C ATOM 710 SD MET A 46 -10.497 -18.303 -18.725 1.00 5.11 S ATOM 711 CE MET A 46 -9.738 -18.756 -17.176 1.00 12.32 C ATOM 0 H MET A 46 -14.524 -19.007 -18.607 1.00 30.02 H new ATOM 0 HA MET A 46 -12.642 -17.384 -20.115 1.00 24.40 H new ATOM 0 HB2 MET A 46 -13.230 -20.357 -20.170 1.00 24.41 H new ATOM 0 HB3 MET A 46 -11.917 -19.559 -21.013 1.00 24.41 H new ATOM 0 HG2 MET A 46 -12.301 -19.697 -18.007 1.00 70.31 H new ATOM 0 HG3 MET A 46 -11.127 -20.598 -18.946 1.00 70.31 H new ATOM 0 HE1 MET A 46 -8.789 -18.230 -17.068 1.00 12.32 H new ATOM 0 HE2 MET A 46 -10.399 -18.484 -16.353 1.00 12.32 H new ATOM 0 HE3 MET A 46 -9.561 -19.831 -17.158 1.00 12.32 H new ATOM 856 N ARG A 55 -16.170 -20.763 -23.323 1.00 13.12 N ATOM 857 CA ARG A 55 -15.345 -21.927 -23.586 1.00 40.20 C ATOM 858 C ARG A 55 -15.916 -23.154 -22.887 1.00 10.42 C ATOM 859 O ARG A 55 -15.350 -24.244 -22.957 1.00 74.30 O ATOM 860 CB ARG A 55 -13.911 -21.682 -23.126 1.00 50.55 C ATOM 861 CG ARG A 55 -13.081 -20.890 -24.119 1.00 0.32 C ATOM 862 CD ARG A 55 -11.598 -20.934 -23.786 1.00 63.23 C ATOM 863 NE ARG A 55 -11.037 -22.270 -23.979 1.00 53.25 N ATOM 864 CZ ARG A 55 -9.734 -22.544 -23.986 1.00 61.33 C ATOM 865 NH1 ARG A 55 -8.841 -21.568 -23.853 1.00 74.12 N ATOM 866 NH2 ARG A 55 -9.323 -23.797 -24.138 1.00 41.04 N ATOM 0 HA ARG A 55 -15.341 -22.107 -24.661 1.00 40.20 H new ATOM 0 HB2 ARG A 55 -13.929 -21.150 -22.175 1.00 50.55 H new ATOM 0 HB3 ARG A 55 -13.427 -22.642 -22.945 1.00 50.55 H new ATOM 0 HG2 ARG A 55 -13.239 -21.287 -25.122 1.00 0.32 H new ATOM 0 HG3 ARG A 55 -13.420 -19.854 -24.129 1.00 0.32 H new ATOM 0 HD2 ARG A 55 -11.063 -20.221 -24.414 1.00 63.23 H new ATOM 0 HD3 ARG A 55 -11.448 -20.623 -22.752 1.00 63.23 H new ATOM 0 HE ARG A 55 -11.687 -23.044 -24.118 1.00 53.25 H new ATOM 0 HH11 ARG A 55 -9.153 -20.603 -23.745 1.00 74.12 H new ATOM 0 HH12 ARG A 55 -7.844 -21.784 -23.859 1.00 74.12 H new ATOM 0 HH21 ARG A 55 -10.005 -24.547 -24.249 1.00 41.04 H new ATOM 0 HH22 ARG A 55 -8.325 -24.009 -24.144 1.00 41.04 H new ATOM 880 N GLY A 56 -17.042 -22.970 -22.213 1.00 62.11 N ATOM 881 CA GLY A 56 -17.674 -24.071 -21.517 1.00 40.22 C ATOM 882 C GLY A 56 -17.141 -24.257 -20.110 1.00 21.52 C ATOM 883 O GLY A 56 -17.398 -25.281 -19.474 1.00 0.41 O ATOM 0 H GLY A 56 -17.529 -22.077 -22.136 1.00 62.11 H new ATOM 0 HA2 GLY A 56 -18.749 -23.899 -21.474 1.00 40.22 H new ATOM 0 HA3 GLY A 56 -17.521 -24.989 -22.084 1.00 40.22 H new ATOM 887 N PHE A 57 -16.403 -23.266 -19.619 1.00 61.53 N ATOM 888 CA PHE A 57 -15.873 -23.305 -18.259 1.00 30.42 C ATOM 889 C PHE A 57 -15.481 -21.912 -17.780 1.00 43.30 C ATOM 890 O PHE A 57 -15.232 -21.009 -18.584 1.00 61.20 O ATOM 891 CB PHE A 57 -14.682 -24.271 -18.139 1.00 20.35 C ATOM 892 CG PHE A 57 -13.595 -24.056 -19.152 1.00 41.13 C ATOM 893 CD1 PHE A 57 -12.636 -23.075 -18.975 1.00 14.31 C ATOM 894 CD2 PHE A 57 -13.535 -24.848 -20.278 1.00 63.44 C ATOM 895 CE1 PHE A 57 -11.639 -22.887 -19.914 1.00 32.45 C ATOM 896 CE2 PHE A 57 -12.543 -24.668 -21.221 1.00 42.32 C ATOM 897 CZ PHE A 57 -11.594 -23.682 -21.040 1.00 34.31 C ATOM 0 H PHE A 57 -16.158 -22.426 -20.142 1.00 61.53 H new ATOM 0 HA PHE A 57 -16.670 -23.678 -17.616 1.00 30.42 H new ATOM 0 HB2 PHE A 57 -14.254 -24.176 -17.141 1.00 20.35 H new ATOM 0 HB3 PHE A 57 -15.050 -25.293 -18.232 1.00 20.35 H new ATOM 0 HD1 PHE A 57 -12.666 -22.450 -18.095 1.00 14.31 H new ATOM 0 HD2 PHE A 57 -14.275 -25.621 -20.425 1.00 63.44 H new ATOM 0 HE1 PHE A 57 -10.896 -22.118 -19.766 1.00 32.45 H new ATOM 0 HE2 PHE A 57 -12.509 -25.297 -22.098 1.00 42.32 H new ATOM 0 HZ PHE A 57 -10.819 -23.534 -21.778 1.00 34.31 H new ATOM 907 N GLY A 58 -15.442 -21.746 -16.467 1.00 52.44 N ATOM 908 CA GLY A 58 -15.088 -20.475 -15.873 1.00 11.12 C ATOM 909 C GLY A 58 -14.543 -20.651 -14.470 1.00 44.24 C ATOM 910 O GLY A 58 -14.399 -21.778 -13.999 1.00 34.54 O ATOM 0 H GLY A 58 -15.653 -22.482 -15.793 1.00 52.44 H new ATOM 0 HA2 GLY A 58 -14.344 -19.977 -16.494 1.00 11.12 H new ATOM 0 HA3 GLY A 58 -15.965 -19.828 -15.846 1.00 11.12 H new ATOM 914 N PHE A 59 -14.238 -19.549 -13.801 1.00 1.21 N ATOM 915 CA PHE A 59 -13.674 -19.598 -12.460 1.00 10.31 C ATOM 916 C PHE A 59 -14.346 -18.586 -11.539 1.00 44.32 C ATOM 917 O PHE A 59 -14.803 -17.528 -11.975 1.00 12.24 O ATOM 918 CB PHE A 59 -12.168 -19.337 -12.500 1.00 33.11 C ATOM 919 CG PHE A 59 -11.376 -20.438 -13.147 1.00 44.13 C ATOM 920 CD1 PHE A 59 -10.878 -21.483 -12.388 1.00 65.34 C ATOM 921 CD2 PHE A 59 -11.130 -20.428 -14.509 1.00 52.54 C ATOM 922 CE1 PHE A 59 -10.148 -22.496 -12.976 1.00 13.12 C ATOM 923 CE2 PHE A 59 -10.402 -21.440 -15.103 1.00 43.20 C ATOM 924 CZ PHE A 59 -9.910 -22.474 -14.335 1.00 34.42 C ATOM 0 H PHE A 59 -14.372 -18.606 -14.167 1.00 1.21 H new ATOM 0 HA PHE A 59 -13.854 -20.598 -12.065 1.00 10.31 H new ATOM 0 HB2 PHE A 59 -11.985 -18.407 -13.038 1.00 33.11 H new ATOM 0 HB3 PHE A 59 -11.807 -19.193 -11.482 1.00 33.11 H new ATOM 0 HD1 PHE A 59 -11.063 -21.506 -11.324 1.00 65.34 H new ATOM 0 HD2 PHE A 59 -11.512 -19.619 -15.114 1.00 52.54 H new ATOM 0 HE1 PHE A 59 -9.763 -23.305 -12.373 1.00 13.12 H new ATOM 0 HE2 PHE A 59 -10.218 -21.422 -16.167 1.00 43.20 H new ATOM 0 HZ PHE A 59 -9.339 -23.266 -14.797 1.00 34.42 H new ATOM 934 N VAL A 60 -14.376 -18.922 -10.258 1.00 4.10 N ATOM 935 CA VAL A 60 -15.039 -18.109 -9.242 1.00 12.35 C ATOM 936 C VAL A 60 -14.335 -18.246 -7.905 1.00 64.21 C ATOM 937 O VAL A 60 -14.346 -19.303 -7.283 1.00 74.32 O ATOM 938 CB VAL A 60 -16.530 -18.465 -9.093 1.00 23.32 C ATOM 939 CG1 VAL A 60 -17.367 -17.563 -9.968 1.00 42.23 C ATOM 940 CG2 VAL A 60 -16.790 -19.923 -9.422 1.00 20.42 C ATOM 0 H VAL A 60 -13.941 -19.768 -9.890 1.00 4.10 H new ATOM 0 HA VAL A 60 -14.980 -17.073 -9.575 1.00 12.35 H new ATOM 0 HB VAL A 60 -16.813 -18.311 -8.052 1.00 23.32 H new ATOM 0 HG11 VAL A 60 -18.420 -17.822 -9.856 1.00 42.23 H new ATOM 0 HG12 VAL A 60 -17.215 -16.525 -9.671 1.00 42.23 H new ATOM 0 HG13 VAL A 60 -17.071 -17.690 -11.009 1.00 42.23 H new ATOM 0 HG21 VAL A 60 -17.852 -20.138 -9.306 1.00 20.42 H new ATOM 0 HG22 VAL A 60 -16.489 -20.123 -10.450 1.00 20.42 H new ATOM 0 HG23 VAL A 60 -16.216 -20.557 -8.746 1.00 20.42 H new ATOM 950 N THR A 61 -13.703 -17.169 -7.484 1.00 62.30 N ATOM 951 CA THR A 61 -12.926 -17.160 -6.262 1.00 24.03 C ATOM 952 C THR A 61 -13.769 -16.658 -5.105 1.00 4.33 C ATOM 953 O THR A 61 -14.186 -15.504 -5.095 1.00 3.31 O ATOM 954 CB THR A 61 -11.693 -16.258 -6.423 1.00 72.12 C ATOM 955 OG1 THR A 61 -11.135 -16.440 -7.731 1.00 61.43 O ATOM 956 CG2 THR A 61 -10.641 -16.574 -5.373 1.00 74.11 C ATOM 0 H THR A 61 -13.714 -16.277 -7.979 1.00 62.30 H new ATOM 0 HA THR A 61 -12.602 -18.180 -6.054 1.00 24.03 H new ATOM 0 HB THR A 61 -12.006 -15.222 -6.292 1.00 72.12 H new ATOM 0 HG1 THR A 61 -11.745 -16.067 -8.402 1.00 61.43 H new ATOM 0 HG21 THR A 61 -9.780 -15.920 -5.512 1.00 74.11 H new ATOM 0 HG22 THR A 61 -11.060 -16.416 -4.379 1.00 74.11 H new ATOM 0 HG23 THR A 61 -10.327 -17.613 -5.474 1.00 74.11 H new ATOM 964 N TYR A 62 -14.032 -17.528 -4.147 1.00 35.52 N ATOM 965 CA TYR A 62 -14.816 -17.159 -2.979 1.00 74.25 C ATOM 966 C TYR A 62 -13.960 -16.414 -1.963 1.00 32.12 C ATOM 967 O TYR A 62 -12.730 -16.424 -2.046 1.00 24.42 O ATOM 968 CB TYR A 62 -15.430 -18.398 -2.337 1.00 44.42 C ATOM 969 CG TYR A 62 -16.612 -18.961 -3.093 1.00 24.23 C ATOM 970 CD1 TYR A 62 -17.902 -18.578 -2.760 1.00 34.12 C ATOM 971 CD2 TYR A 62 -16.446 -19.882 -4.122 1.00 63.14 C ATOM 972 CE1 TYR A 62 -18.994 -19.095 -3.421 1.00 62.15 C ATOM 973 CE2 TYR A 62 -17.536 -20.400 -4.794 1.00 20.45 C ATOM 974 CZ TYR A 62 -18.808 -20.005 -4.436 1.00 60.23 C ATOM 975 OH TYR A 62 -19.899 -20.517 -5.095 1.00 71.34 O ATOM 0 H TYR A 62 -13.714 -18.497 -4.153 1.00 35.52 H new ATOM 0 HA TYR A 62 -15.617 -16.497 -3.306 1.00 74.25 H new ATOM 0 HB2 TYR A 62 -14.664 -19.169 -2.254 1.00 44.42 H new ATOM 0 HB3 TYR A 62 -15.745 -18.151 -1.323 1.00 44.42 H new ATOM 0 HD1 TYR A 62 -18.054 -17.861 -1.967 1.00 34.12 H new ATOM 0 HD2 TYR A 62 -15.451 -20.197 -4.399 1.00 63.14 H new ATOM 0 HE1 TYR A 62 -19.992 -18.788 -3.144 1.00 62.15 H new ATOM 0 HE2 TYR A 62 -17.393 -21.110 -5.595 1.00 20.45 H new ATOM 0 HH TYR A 62 -20.613 -19.846 -5.115 1.00 71.34 H new ATOM 985 N ALA A 63 -14.614 -15.786 -0.995 1.00 71.20 N ATOM 986 CA ALA A 63 -13.925 -14.988 0.005 1.00 73.23 C ATOM 987 C ALA A 63 -13.155 -15.892 0.951 1.00 32.33 C ATOM 988 O ALA A 63 -12.069 -15.549 1.420 1.00 53.24 O ATOM 989 CB ALA A 63 -14.916 -14.123 0.770 1.00 60.42 C ATOM 0 H ALA A 63 -15.627 -15.816 -0.883 1.00 71.20 H new ATOM 0 HA ALA A 63 -13.217 -14.328 -0.496 1.00 73.23 H new ATOM 0 HB1 ALA A 63 -14.384 -13.532 1.515 1.00 60.42 H new ATOM 0 HB2 ALA A 63 -15.428 -13.456 0.076 1.00 60.42 H new ATOM 0 HB3 ALA A 63 -15.647 -14.760 1.268 1.00 60.42 H new ATOM 995 N THR A 64 -13.720 -17.060 1.207 1.00 51.32 N ATOM 996 CA THR A 64 -13.078 -18.050 2.043 1.00 50.53 C ATOM 997 C THR A 64 -13.358 -19.445 1.502 1.00 45.31 C ATOM 998 O THR A 64 -14.353 -19.663 0.805 1.00 4.22 O ATOM 999 CB THR A 64 -13.537 -17.948 3.520 1.00 61.25 C ATOM 1000 OG1 THR A 64 -13.099 -19.094 4.257 1.00 34.14 O ATOM 1001 CG2 THR A 64 -15.048 -17.820 3.628 1.00 52.12 C ATOM 0 H THR A 64 -14.630 -17.344 0.843 1.00 51.32 H new ATOM 0 HA THR A 64 -12.005 -17.857 2.021 1.00 50.53 H new ATOM 0 HB THR A 64 -13.087 -17.049 3.942 1.00 61.25 H new ATOM 0 HG1 THR A 64 -12.948 -18.843 5.192 1.00 34.14 H new ATOM 0 HG21 THR A 64 -15.333 -17.751 4.678 1.00 52.12 H new ATOM 0 HG22 THR A 64 -15.376 -16.923 3.103 1.00 52.12 H new ATOM 0 HG23 THR A 64 -15.520 -18.695 3.181 1.00 52.12 H new ATOM 1009 N VAL A 65 -12.459 -20.372 1.802 1.00 4.23 N ATOM 1010 CA VAL A 65 -12.612 -21.766 1.406 1.00 15.24 C ATOM 1011 C VAL A 65 -13.935 -22.351 1.906 1.00 42.25 C ATOM 1012 O VAL A 65 -14.475 -23.278 1.304 1.00 71.41 O ATOM 1013 CB VAL A 65 -11.442 -22.625 1.930 1.00 64.12 C ATOM 1014 CG1 VAL A 65 -10.120 -22.095 1.402 1.00 44.12 C ATOM 1015 CG2 VAL A 65 -11.427 -22.668 3.453 1.00 10.22 C ATOM 0 H VAL A 65 -11.605 -20.180 2.325 1.00 4.23 H new ATOM 0 HA VAL A 65 -12.611 -21.787 0.316 1.00 15.24 H new ATOM 0 HB VAL A 65 -11.584 -23.643 1.567 1.00 64.12 H new ATOM 0 HG11 VAL A 65 -9.304 -22.711 1.780 1.00 44.12 H new ATOM 0 HG12 VAL A 65 -10.124 -22.127 0.312 1.00 44.12 H new ATOM 0 HG13 VAL A 65 -9.982 -21.066 1.734 1.00 44.12 H new ATOM 0 HG21 VAL A 65 -10.591 -23.281 3.791 1.00 10.22 H new ATOM 0 HG22 VAL A 65 -11.317 -21.657 3.844 1.00 10.22 H new ATOM 0 HG23 VAL A 65 -12.361 -23.097 3.814 1.00 10.22 H new ATOM 1025 N GLU A 66 -14.452 -21.784 2.995 1.00 74.41 N ATOM 1026 CA GLU A 66 -15.715 -22.218 3.581 1.00 50.32 C ATOM 1027 C GLU A 66 -16.835 -22.175 2.551 1.00 52.41 C ATOM 1028 O GLU A 66 -17.641 -23.100 2.442 1.00 2.02 O ATOM 1029 CB GLU A 66 -16.084 -21.310 4.749 1.00 0.54 C ATOM 1030 CG GLU A 66 -14.977 -21.139 5.772 1.00 14.43 C ATOM 1031 CD GLU A 66 -15.386 -20.224 6.904 1.00 33.45 C ATOM 1032 OE1 GLU A 66 -16.304 -20.593 7.663 1.00 51.22 O ATOM 1033 OE2 GLU A 66 -14.792 -19.132 7.038 1.00 42.04 O ATOM 0 H GLU A 66 -14.007 -21.013 3.493 1.00 74.41 H new ATOM 0 HA GLU A 66 -15.591 -23.244 3.929 1.00 50.32 H new ATOM 0 HB2 GLU A 66 -16.360 -20.330 4.361 1.00 0.54 H new ATOM 0 HB3 GLU A 66 -16.965 -21.715 5.247 1.00 0.54 H new ATOM 0 HG2 GLU A 66 -14.703 -22.114 6.175 1.00 14.43 H new ATOM 0 HG3 GLU A 66 -14.091 -20.736 5.282 1.00 14.43 H new ATOM 1040 N GLU A 67 -16.863 -21.092 1.789 1.00 15.34 N ATOM 1041 CA GLU A 67 -17.911 -20.868 0.809 1.00 52.44 C ATOM 1042 C GLU A 67 -17.747 -21.820 -0.368 1.00 25.11 C ATOM 1043 O GLU A 67 -18.727 -22.272 -0.961 1.00 62.22 O ATOM 1044 CB GLU A 67 -17.867 -19.425 0.331 1.00 1.44 C ATOM 1045 CG GLU A 67 -17.659 -18.430 1.454 1.00 13.02 C ATOM 1046 CD GLU A 67 -17.759 -16.999 0.989 1.00 72.04 C ATOM 1047 OE1 GLU A 67 -16.947 -16.591 0.142 1.00 34.10 O ATOM 1048 OE2 GLU A 67 -18.652 -16.276 1.473 1.00 43.34 O ATOM 0 H GLU A 67 -16.165 -20.350 1.833 1.00 15.34 H new ATOM 0 HA GLU A 67 -18.878 -21.059 1.274 1.00 52.44 H new ATOM 0 HB2 GLU A 67 -17.063 -19.315 -0.397 1.00 1.44 H new ATOM 0 HB3 GLU A 67 -18.798 -19.191 -0.185 1.00 1.44 H new ATOM 0 HG2 GLU A 67 -18.400 -18.607 2.233 1.00 13.02 H new ATOM 0 HG3 GLU A 67 -16.679 -18.594 1.903 1.00 13.02 H new ATOM 1055 N VAL A 68 -16.495 -22.117 -0.694 1.00 52.03 N ATOM 1056 CA VAL A 68 -16.181 -23.103 -1.720 1.00 62.13 C ATOM 1057 C VAL A 68 -16.783 -24.456 -1.355 1.00 50.23 C ATOM 1058 O VAL A 68 -17.443 -25.097 -2.176 1.00 11.33 O ATOM 1059 CB VAL A 68 -14.656 -23.251 -1.912 1.00 73.21 C ATOM 1060 CG1 VAL A 68 -14.332 -24.467 -2.763 1.00 65.42 C ATOM 1061 CG2 VAL A 68 -14.081 -21.997 -2.543 1.00 21.21 C ATOM 0 H VAL A 68 -15.678 -21.687 -0.261 1.00 52.03 H new ATOM 0 HA VAL A 68 -16.613 -22.752 -2.657 1.00 62.13 H new ATOM 0 HB VAL A 68 -14.201 -23.391 -0.932 1.00 73.21 H new ATOM 0 HG11 VAL A 68 -13.252 -24.549 -2.884 1.00 65.42 H new ATOM 0 HG12 VAL A 68 -14.712 -25.364 -2.275 1.00 65.42 H new ATOM 0 HG13 VAL A 68 -14.799 -24.361 -3.742 1.00 65.42 H new ATOM 0 HG21 VAL A 68 -13.005 -22.115 -2.672 1.00 21.21 H new ATOM 0 HG22 VAL A 68 -14.547 -21.832 -3.514 1.00 21.21 H new ATOM 0 HG23 VAL A 68 -14.277 -21.142 -1.896 1.00 21.21 H new ATOM 1071 N ASP A 69 -16.558 -24.873 -0.113 1.00 61.21 N ATOM 1072 CA ASP A 69 -17.130 -26.115 0.393 1.00 51.21 C ATOM 1073 C ASP A 69 -18.644 -26.084 0.280 1.00 61.54 C ATOM 1074 O ASP A 69 -19.252 -27.037 -0.201 1.00 30.42 O ATOM 1075 CB ASP A 69 -16.712 -26.360 1.847 1.00 21.12 C ATOM 1076 CG ASP A 69 -15.268 -26.804 1.968 1.00 44.31 C ATOM 1077 OD1 ASP A 69 -14.443 -26.039 2.513 1.00 33.23 O ATOM 1078 OD2 ASP A 69 -14.949 -27.926 1.521 1.00 33.44 O ATOM 0 H ASP A 69 -15.983 -24.368 0.562 1.00 61.21 H new ATOM 0 HA ASP A 69 -16.748 -26.935 -0.214 1.00 51.21 H new ATOM 0 HB2 ASP A 69 -16.857 -25.446 2.423 1.00 21.12 H new ATOM 0 HB3 ASP A 69 -17.360 -27.119 2.285 1.00 21.12 H new ATOM 1083 N ALA A 70 -19.243 -24.970 0.684 1.00 11.34 N ATOM 1084 CA ALA A 70 -20.691 -24.808 0.625 1.00 52.53 C ATOM 1085 C ALA A 70 -21.211 -24.993 -0.799 1.00 70.32 C ATOM 1086 O ALA A 70 -22.244 -25.627 -1.014 1.00 74.02 O ATOM 1087 CB ALA A 70 -21.091 -23.446 1.165 1.00 22.42 C ATOM 0 H ALA A 70 -18.746 -24.162 1.058 1.00 11.34 H new ATOM 0 HA ALA A 70 -21.143 -25.580 1.248 1.00 52.53 H new ATOM 0 HB1 ALA A 70 -22.175 -23.339 1.115 1.00 22.42 H new ATOM 0 HB2 ALA A 70 -20.765 -23.355 2.201 1.00 22.42 H new ATOM 0 HB3 ALA A 70 -20.621 -22.665 0.567 1.00 22.42 H new ATOM 1093 N ALA A 71 -20.482 -24.453 -1.768 1.00 11.33 N ATOM 1094 CA ALA A 71 -20.864 -24.573 -3.168 1.00 43.35 C ATOM 1095 C ALA A 71 -20.712 -26.011 -3.660 1.00 31.13 C ATOM 1096 O ALA A 71 -21.530 -26.501 -4.440 1.00 72.12 O ATOM 1097 CB ALA A 71 -20.037 -23.629 -4.026 1.00 3.02 C ATOM 0 H ALA A 71 -19.622 -23.927 -1.609 1.00 11.33 H new ATOM 0 HA ALA A 71 -21.915 -24.297 -3.255 1.00 43.35 H new ATOM 0 HB1 ALA A 71 -20.335 -23.731 -5.070 1.00 3.02 H new ATOM 0 HB2 ALA A 71 -20.202 -22.602 -3.700 1.00 3.02 H new ATOM 0 HB3 ALA A 71 -18.980 -23.876 -3.924 1.00 3.02 H new ATOM 1103 N MET A 72 -19.671 -26.694 -3.190 1.00 5.24 N ATOM 1104 CA MET A 72 -19.430 -28.079 -3.589 1.00 74.24 C ATOM 1105 C MET A 72 -20.485 -29.005 -2.990 1.00 52.44 C ATOM 1106 O MET A 72 -20.841 -30.026 -3.580 1.00 62.54 O ATOM 1107 CB MET A 72 -18.044 -28.562 -3.145 1.00 4.01 C ATOM 1108 CG MET A 72 -16.874 -27.782 -3.724 1.00 3.33 C ATOM 1109 SD MET A 72 -15.319 -28.672 -3.527 1.00 51.15 S ATOM 1110 CE MET A 72 -14.207 -27.637 -4.467 1.00 73.24 C ATOM 0 H MET A 72 -18.985 -26.315 -2.537 1.00 5.24 H new ATOM 0 HA MET A 72 -19.484 -28.109 -4.677 1.00 74.24 H new ATOM 0 HB2 MET A 72 -17.990 -28.514 -2.057 1.00 4.01 H new ATOM 0 HB3 MET A 72 -17.935 -29.610 -3.423 1.00 4.01 H new ATOM 0 HG2 MET A 72 -17.052 -27.590 -4.782 1.00 3.33 H new ATOM 0 HG3 MET A 72 -16.803 -26.812 -3.232 1.00 3.33 H new ATOM 0 HE1 MET A 72 -13.186 -28.000 -4.350 1.00 73.24 H new ATOM 0 HE2 MET A 72 -14.485 -27.667 -5.521 1.00 73.24 H new ATOM 0 HE3 MET A 72 -14.271 -26.611 -4.104 1.00 73.24 H new ATOM 1120 N ASN A 73 -20.975 -28.644 -1.811 1.00 1.30 N ATOM 1121 CA ASN A 73 -21.951 -29.463 -1.094 1.00 11.51 C ATOM 1122 C ASN A 73 -23.359 -29.239 -1.632 1.00 13.33 C ATOM 1123 O ASN A 73 -24.277 -29.996 -1.329 1.00 22.11 O ATOM 1124 CB ASN A 73 -21.918 -29.141 0.404 1.00 71.14 C ATOM 1125 CG ASN A 73 -20.574 -29.439 1.043 1.00 43.11 C ATOM 1126 OD1 ASN A 73 -19.880 -30.383 0.661 1.00 62.10 O ATOM 1127 ND2 ASN A 73 -20.193 -28.628 2.017 1.00 44.54 N ATOM 0 H ASN A 73 -20.713 -27.785 -1.327 1.00 1.30 H new ATOM 0 HA ASN A 73 -21.683 -30.509 -1.247 1.00 11.51 H new ATOM 0 HB2 ASN A 73 -22.158 -28.088 0.549 1.00 71.14 H new ATOM 0 HB3 ASN A 73 -22.692 -29.717 0.911 1.00 71.14 H new ATOM 0 HD21 ASN A 73 -19.296 -28.773 2.480 1.00 44.54 H new ATOM 0 HD22 ASN A 73 -20.796 -27.857 2.304 1.00 44.54 H new ATOM 1134 N ALA A 74 -23.522 -28.203 -2.442 1.00 60.04 N ATOM 1135 CA ALA A 74 -24.835 -27.838 -2.959 1.00 24.34 C ATOM 1136 C ALA A 74 -25.111 -28.489 -4.311 1.00 4.12 C ATOM 1137 O ALA A 74 -26.082 -28.151 -4.989 1.00 62.43 O ATOM 1138 CB ALA A 74 -24.944 -26.328 -3.069 1.00 50.32 C ATOM 0 H ALA A 74 -22.762 -27.600 -2.756 1.00 60.04 H new ATOM 0 HA ALA A 74 -25.586 -28.206 -2.260 1.00 24.34 H new ATOM 0 HB1 ALA A 74 -25.928 -26.061 -3.456 1.00 50.32 H new ATOM 0 HB2 ALA A 74 -24.808 -25.881 -2.084 1.00 50.32 H new ATOM 0 HB3 ALA A 74 -24.175 -25.956 -3.746 1.00 50.32 H new ATOM 1144 N ARG A 75 -24.259 -29.427 -4.698 1.00 55.53 N ATOM 1145 CA ARG A 75 -24.414 -30.116 -5.971 1.00 40.14 C ATOM 1146 C ARG A 75 -25.545 -31.140 -5.900 1.00 14.20 C ATOM 1147 O ARG A 75 -25.903 -31.596 -4.814 1.00 53.44 O ATOM 1148 CB ARG A 75 -23.105 -30.794 -6.365 1.00 20.11 C ATOM 1149 CG ARG A 75 -21.983 -29.814 -6.650 1.00 44.32 C ATOM 1150 CD ARG A 75 -20.731 -30.526 -7.122 1.00 10.51 C ATOM 1151 NE ARG A 75 -20.128 -31.351 -6.079 1.00 52.24 N ATOM 1152 CZ ARG A 75 -19.000 -32.040 -6.242 1.00 35.31 C ATOM 1153 NH1 ARG A 75 -18.439 -32.128 -7.443 1.00 71.20 N ATOM 1154 NH2 ARG A 75 -18.460 -32.684 -5.214 1.00 50.44 N ATOM 0 H ARG A 75 -23.454 -29.728 -4.149 1.00 55.53 H new ATOM 0 HA ARG A 75 -24.671 -29.379 -6.732 1.00 40.14 H new ATOM 0 HB2 ARG A 75 -22.796 -31.466 -5.564 1.00 20.11 H new ATOM 0 HB3 ARG A 75 -23.274 -31.409 -7.249 1.00 20.11 H new ATOM 0 HG2 ARG A 75 -22.305 -29.101 -7.409 1.00 44.32 H new ATOM 0 HG3 ARG A 75 -21.760 -29.242 -5.749 1.00 44.32 H new ATOM 0 HD2 ARG A 75 -20.975 -31.152 -7.980 1.00 10.51 H new ATOM 0 HD3 ARG A 75 -20.004 -29.788 -7.462 1.00 10.51 H new ATOM 0 HE ARG A 75 -20.597 -31.403 -5.175 1.00 52.24 H new ATOM 0 HH11 ARG A 75 -18.872 -31.667 -8.243 1.00 71.20 H new ATOM 0 HH12 ARG A 75 -17.575 -32.656 -7.565 1.00 71.20 H new ATOM 0 HH21 ARG A 75 -18.909 -32.651 -4.299 1.00 50.44 H new ATOM 0 HH22 ARG A 75 -17.596 -33.212 -5.340 1.00 50.44 H new ATOM 1168 N PRO A 76 -26.126 -31.530 -7.054 1.00 71.24 N ATOM 1169 CA PRO A 76 -25.710 -31.057 -8.384 1.00 15.03 C ATOM 1170 C PRO A 76 -25.946 -29.563 -8.583 1.00 25.53 C ATOM 1171 O PRO A 76 -27.034 -29.048 -8.322 1.00 21.20 O ATOM 1172 CB PRO A 76 -26.580 -31.865 -9.357 1.00 53.11 C ATOM 1173 CG PRO A 76 -27.136 -32.988 -8.552 1.00 3.40 C ATOM 1174 CD PRO A 76 -27.244 -32.474 -7.147 1.00 3.23 C ATOM 0 HA PRO A 76 -24.639 -31.197 -8.533 1.00 15.03 H new ATOM 0 HB2 PRO A 76 -27.376 -31.250 -9.775 1.00 53.11 H new ATOM 0 HB3 PRO A 76 -25.991 -32.237 -10.195 1.00 53.11 H new ATOM 0 HG2 PRO A 76 -28.111 -33.295 -8.931 1.00 3.40 H new ATOM 0 HG3 PRO A 76 -26.486 -33.862 -8.599 1.00 3.40 H new ATOM 0 HD2 PRO A 76 -28.201 -31.984 -6.969 1.00 3.23 H new ATOM 0 HD3 PRO A 76 -27.156 -33.277 -6.416 1.00 3.23 H new ATOM 1182 N HIS A 77 -24.915 -28.878 -9.043 1.00 64.32 N ATOM 1183 CA HIS A 77 -24.979 -27.443 -9.253 1.00 23.30 C ATOM 1184 C HIS A 77 -25.670 -27.134 -10.582 1.00 11.35 C ATOM 1185 O HIS A 77 -25.572 -27.909 -11.536 1.00 34.51 O ATOM 1186 CB HIS A 77 -23.567 -26.856 -9.243 1.00 63.04 C ATOM 1187 CG HIS A 77 -23.526 -25.406 -8.892 1.00 15.22 C ATOM 1188 ND1 HIS A 77 -24.052 -24.454 -9.725 1.00 3.00 N ATOM 1189 CD2 HIS A 77 -23.025 -24.805 -7.789 1.00 12.04 C ATOM 1190 CE1 HIS A 77 -23.867 -23.298 -9.119 1.00 63.44 C ATOM 1191 NE2 HIS A 77 -23.249 -23.460 -7.940 1.00 41.44 N ATOM 0 H HIS A 77 -24.016 -29.297 -9.280 1.00 64.32 H new ATOM 0 HA HIS A 77 -25.558 -26.991 -8.447 1.00 23.30 H new ATOM 0 HB2 HIS A 77 -22.957 -27.411 -8.531 1.00 63.04 H new ATOM 0 HB3 HIS A 77 -23.117 -26.996 -10.226 1.00 63.04 H new ATOM 0 HD2 HIS A 77 -22.543 -25.289 -6.953 1.00 12.04 H new ATOM 0 HE1 HIS A 77 -24.174 -22.343 -9.520 1.00 63.44 H new ATOM 0 HE2 HIS A 77 -22.994 -22.724 -7.281 1.00 41.44 H new ATOM 1199 N LYS A 78 -26.374 -26.014 -10.636 1.00 71.44 N ATOM 1200 CA LYS A 78 -27.106 -25.622 -11.832 1.00 30.20 C ATOM 1201 C LYS A 78 -26.816 -24.161 -12.184 1.00 43.51 C ATOM 1202 O LYS A 78 -27.192 -23.248 -11.447 1.00 43.03 O ATOM 1203 CB LYS A 78 -28.609 -25.830 -11.612 1.00 2.24 C ATOM 1204 CG LYS A 78 -29.477 -25.408 -12.787 1.00 44.22 C ATOM 1205 CD LYS A 78 -29.344 -26.346 -13.979 1.00 62.31 C ATOM 1206 CE LYS A 78 -30.005 -27.689 -13.721 1.00 43.23 C ATOM 1207 NZ LYS A 78 -30.181 -28.476 -14.973 1.00 62.32 N ATOM 0 H LYS A 78 -26.454 -25.356 -9.861 1.00 71.44 H new ATOM 0 HA LYS A 78 -26.780 -26.245 -12.665 1.00 30.20 H new ATOM 0 HB2 LYS A 78 -28.791 -26.884 -11.401 1.00 2.24 H new ATOM 0 HB3 LYS A 78 -28.916 -25.270 -10.729 1.00 2.24 H new ATOM 0 HG2 LYS A 78 -30.519 -25.374 -12.470 1.00 44.22 H new ATOM 0 HG3 LYS A 78 -29.204 -24.398 -13.092 1.00 44.22 H new ATOM 0 HD2 LYS A 78 -29.794 -25.883 -14.857 1.00 62.31 H new ATOM 0 HD3 LYS A 78 -28.289 -26.498 -14.205 1.00 62.31 H new ATOM 0 HE2 LYS A 78 -29.401 -28.260 -13.016 1.00 43.23 H new ATOM 0 HE3 LYS A 78 -30.977 -27.531 -13.253 1.00 43.23 H new ATOM 0 HZ1 LYS A 78 -30.443 -29.454 -14.734 1.00 62.32 H new ATOM 0 HZ2 LYS A 78 -30.932 -28.047 -15.550 1.00 62.32 H new ATOM 0 HZ3 LYS A 78 -29.290 -28.478 -15.510 1.00 62.32 H new ATOM 1221 N VAL A 79 -26.135 -23.951 -13.304 1.00 35.41 N ATOM 1222 CA VAL A 79 -25.817 -22.607 -13.778 1.00 41.43 C ATOM 1223 C VAL A 79 -26.325 -22.416 -15.205 1.00 74.43 C ATOM 1224 O VAL A 79 -25.930 -23.152 -16.109 1.00 61.33 O ATOM 1225 CB VAL A 79 -24.294 -22.331 -13.739 1.00 13.14 C ATOM 1226 CG1 VAL A 79 -23.970 -20.944 -14.284 1.00 35.10 C ATOM 1227 CG2 VAL A 79 -23.752 -22.485 -12.332 1.00 72.11 C ATOM 0 H VAL A 79 -25.790 -24.699 -13.905 1.00 35.41 H new ATOM 0 HA VAL A 79 -26.312 -21.902 -13.110 1.00 41.43 H new ATOM 0 HB VAL A 79 -23.809 -23.069 -14.379 1.00 13.14 H new ATOM 0 HG11 VAL A 79 -22.893 -20.780 -14.244 1.00 35.10 H new ATOM 0 HG12 VAL A 79 -24.310 -20.870 -15.317 1.00 35.10 H new ATOM 0 HG13 VAL A 79 -24.475 -20.189 -13.681 1.00 35.10 H new ATOM 0 HG21 VAL A 79 -22.680 -22.286 -12.331 1.00 72.11 H new ATOM 0 HG22 VAL A 79 -24.253 -21.779 -11.670 1.00 72.11 H new ATOM 0 HG23 VAL A 79 -23.933 -23.501 -11.982 1.00 72.11 H new ATOM 1237 N ASP A 80 -27.224 -21.448 -15.386 1.00 23.43 N ATOM 1238 CA ASP A 80 -27.800 -21.123 -16.700 1.00 1.21 C ATOM 1239 C ASP A 80 -28.612 -22.303 -17.242 1.00 4.11 C ATOM 1240 O ASP A 80 -28.821 -22.441 -18.446 1.00 23.33 O ATOM 1241 CB ASP A 80 -26.699 -20.725 -17.698 1.00 41.22 C ATOM 1242 CG ASP A 80 -27.250 -20.076 -18.954 1.00 13.31 C ATOM 1243 OD1 ASP A 80 -27.794 -18.951 -18.855 1.00 34.24 O ATOM 1244 OD2 ASP A 80 -27.121 -20.669 -20.047 1.00 3.50 O ATOM 0 H ASP A 80 -27.577 -20.864 -14.628 1.00 23.43 H new ATOM 0 HA ASP A 80 -28.470 -20.273 -16.573 1.00 1.21 H new ATOM 0 HB2 ASP A 80 -26.007 -20.037 -17.213 1.00 41.22 H new ATOM 0 HB3 ASP A 80 -26.127 -21.611 -17.973 1.00 41.22 H new ATOM 1249 N GLY A 81 -29.099 -23.141 -16.339 1.00 51.15 N ATOM 1250 CA GLY A 81 -29.832 -24.324 -16.749 1.00 3.14 C ATOM 1251 C GLY A 81 -28.905 -25.462 -17.133 1.00 72.13 C ATOM 1252 O GLY A 81 -29.344 -26.498 -17.626 1.00 62.20 O ATOM 0 H GLY A 81 -29.001 -23.025 -15.330 1.00 51.15 H new ATOM 0 HA2 GLY A 81 -30.484 -24.646 -15.937 1.00 3.14 H new ATOM 0 HA3 GLY A 81 -30.474 -24.078 -17.595 1.00 3.14 H new ATOM 1256 N ARG A 82 -27.620 -25.266 -16.890 1.00 74.41 N ATOM 1257 CA ARG A 82 -26.606 -26.260 -17.201 1.00 24.41 C ATOM 1258 C ARG A 82 -25.982 -26.797 -15.914 1.00 51.24 C ATOM 1259 O ARG A 82 -25.524 -26.025 -15.069 1.00 72.00 O ATOM 1260 CB ARG A 82 -25.532 -25.632 -18.102 1.00 62.42 C ATOM 1261 CG ARG A 82 -24.267 -26.461 -18.244 1.00 42.10 C ATOM 1262 CD ARG A 82 -24.491 -27.742 -19.032 1.00 62.23 C ATOM 1263 NE ARG A 82 -23.337 -28.632 -18.936 1.00 63.23 N ATOM 1264 CZ ARG A 82 -22.900 -29.419 -19.917 1.00 31.04 C ATOM 1265 NH1 ARG A 82 -23.500 -29.424 -21.104 1.00 72.42 N ATOM 1266 NH2 ARG A 82 -21.855 -30.205 -19.708 1.00 42.41 N ATOM 0 H ARG A 82 -27.250 -24.413 -16.471 1.00 74.41 H new ATOM 0 HA ARG A 82 -27.067 -27.094 -17.730 1.00 24.41 H new ATOM 0 HB2 ARG A 82 -25.957 -25.468 -19.092 1.00 62.42 H new ATOM 0 HB3 ARG A 82 -25.267 -24.653 -17.702 1.00 62.42 H new ATOM 0 HG2 ARG A 82 -23.500 -25.865 -18.738 1.00 42.10 H new ATOM 0 HG3 ARG A 82 -23.888 -26.710 -17.253 1.00 42.10 H new ATOM 0 HD2 ARG A 82 -25.378 -28.252 -18.657 1.00 62.23 H new ATOM 0 HD3 ARG A 82 -24.680 -27.500 -20.078 1.00 62.23 H new ATOM 0 HE ARG A 82 -22.828 -28.652 -18.052 1.00 63.23 H new ATOM 0 HH11 ARG A 82 -24.305 -28.820 -21.271 1.00 72.42 H new ATOM 0 HH12 ARG A 82 -23.155 -30.032 -21.847 1.00 72.42 H new ATOM 0 HH21 ARG A 82 -21.390 -30.205 -18.800 1.00 42.41 H new ATOM 0 HH22 ARG A 82 -21.515 -30.811 -20.455 1.00 42.41 H new ATOM 1280 N VAL A 83 -25.998 -28.116 -15.753 1.00 51.45 N ATOM 1281 CA VAL A 83 -25.346 -28.751 -14.613 1.00 61.34 C ATOM 1282 C VAL A 83 -23.835 -28.672 -14.773 1.00 71.13 C ATOM 1283 O VAL A 83 -23.266 -29.257 -15.701 1.00 41.41 O ATOM 1284 CB VAL A 83 -25.761 -30.231 -14.452 1.00 71.23 C ATOM 1285 CG1 VAL A 83 -25.080 -30.857 -13.241 1.00 14.34 C ATOM 1286 CG2 VAL A 83 -27.271 -30.362 -14.339 1.00 4.20 C ATOM 0 H VAL A 83 -26.454 -28.764 -16.395 1.00 51.45 H new ATOM 0 HA VAL A 83 -25.663 -28.214 -13.719 1.00 61.34 H new ATOM 0 HB VAL A 83 -25.437 -30.768 -15.344 1.00 71.23 H new ATOM 0 HG11 VAL A 83 -25.388 -31.899 -13.149 1.00 14.34 H new ATOM 0 HG12 VAL A 83 -23.998 -30.808 -13.366 1.00 14.34 H new ATOM 0 HG13 VAL A 83 -25.366 -30.313 -12.341 1.00 14.34 H new ATOM 0 HG21 VAL A 83 -27.538 -31.413 -14.227 1.00 4.20 H new ATOM 0 HG22 VAL A 83 -27.621 -29.804 -13.470 1.00 4.20 H new ATOM 0 HG23 VAL A 83 -27.739 -29.963 -15.239 1.00 4.20 H new ATOM 1296 N VAL A 84 -23.196 -27.934 -13.880 1.00 61.33 N ATOM 1297 CA VAL A 84 -21.757 -27.737 -13.937 1.00 54.44 C ATOM 1298 C VAL A 84 -21.055 -28.589 -12.888 1.00 44.23 C ATOM 1299 O VAL A 84 -21.704 -29.212 -12.044 1.00 1.24 O ATOM 1300 CB VAL A 84 -21.380 -26.255 -13.716 1.00 22.55 C ATOM 1301 CG1 VAL A 84 -22.082 -25.366 -14.730 1.00 70.32 C ATOM 1302 CG2 VAL A 84 -21.711 -25.810 -12.297 1.00 24.31 C ATOM 0 H VAL A 84 -23.655 -27.459 -13.103 1.00 61.33 H new ATOM 0 HA VAL A 84 -21.431 -28.039 -14.932 1.00 54.44 H new ATOM 0 HB VAL A 84 -20.304 -26.159 -13.858 1.00 22.55 H new ATOM 0 HG11 VAL A 84 -21.803 -24.327 -14.557 1.00 70.32 H new ATOM 0 HG12 VAL A 84 -21.786 -25.659 -15.737 1.00 70.32 H new ATOM 0 HG13 VAL A 84 -23.161 -25.475 -14.624 1.00 70.32 H new ATOM 0 HG21 VAL A 84 -21.435 -24.763 -12.170 1.00 24.31 H new ATOM 0 HG22 VAL A 84 -22.780 -25.928 -12.119 1.00 24.31 H new ATOM 0 HG23 VAL A 84 -21.155 -26.420 -11.585 1.00 24.31 H new ATOM 1312 N GLU A 85 -19.735 -28.612 -12.947 1.00 12.51 N ATOM 1313 CA GLU A 85 -18.940 -29.312 -11.952 1.00 74.13 C ATOM 1314 C GLU A 85 -17.903 -28.365 -11.366 1.00 51.24 C ATOM 1315 O GLU A 85 -16.926 -28.009 -12.027 1.00 54.15 O ATOM 1316 CB GLU A 85 -18.259 -30.546 -12.550 1.00 71.40 C ATOM 1317 CG GLU A 85 -17.443 -31.336 -11.535 1.00 73.02 C ATOM 1318 CD GLU A 85 -16.807 -32.575 -12.124 1.00 63.21 C ATOM 1319 OE1 GLU A 85 -15.747 -32.456 -12.765 1.00 44.13 O ATOM 1320 OE2 GLU A 85 -17.356 -33.682 -11.934 1.00 52.42 O ATOM 0 H GLU A 85 -19.189 -28.152 -13.676 1.00 12.51 H new ATOM 0 HA GLU A 85 -19.605 -29.654 -11.159 1.00 74.13 H new ATOM 0 HB2 GLU A 85 -19.018 -31.198 -12.982 1.00 71.40 H new ATOM 0 HB3 GLU A 85 -17.607 -30.233 -13.365 1.00 71.40 H new ATOM 0 HG2 GLU A 85 -16.663 -30.694 -11.125 1.00 73.02 H new ATOM 0 HG3 GLU A 85 -18.087 -31.625 -10.705 1.00 73.02 H new ATOM 1327 N PRO A 86 -18.127 -27.917 -10.126 1.00 44.14 N ATOM 1328 CA PRO A 86 -17.231 -27.011 -9.434 1.00 1.41 C ATOM 1329 C PRO A 86 -16.139 -27.750 -8.659 1.00 4.41 C ATOM 1330 O PRO A 86 -16.411 -28.432 -7.665 1.00 35.03 O ATOM 1331 CB PRO A 86 -18.168 -26.253 -8.483 1.00 34.00 C ATOM 1332 CG PRO A 86 -19.466 -27.009 -8.460 1.00 53.10 C ATOM 1333 CD PRO A 86 -19.285 -28.246 -9.299 1.00 20.44 C ATOM 0 HA PRO A 86 -16.687 -26.362 -10.120 1.00 1.41 H new ATOM 0 HB2 PRO A 86 -17.738 -26.192 -7.483 1.00 34.00 H new ATOM 0 HB3 PRO A 86 -18.322 -25.230 -8.826 1.00 34.00 H new ATOM 0 HG2 PRO A 86 -19.736 -27.275 -7.438 1.00 53.10 H new ATOM 0 HG3 PRO A 86 -20.275 -26.394 -8.854 1.00 53.10 H new ATOM 0 HD2 PRO A 86 -19.104 -29.128 -8.684 1.00 20.44 H new ATOM 0 HD3 PRO A 86 -20.167 -28.455 -9.905 1.00 20.44 H new ATOM 1341 N LYS A 87 -14.906 -27.620 -9.128 1.00 40.55 N ATOM 1342 CA LYS A 87 -13.765 -28.269 -8.491 1.00 31.11 C ATOM 1343 C LYS A 87 -12.735 -27.229 -8.066 1.00 41.42 C ATOM 1344 O LYS A 87 -12.739 -26.113 -8.568 1.00 24.32 O ATOM 1345 CB LYS A 87 -13.122 -29.275 -9.449 1.00 10.10 C ATOM 1346 CG LYS A 87 -14.064 -30.382 -9.900 1.00 60.53 C ATOM 1347 CD LYS A 87 -13.374 -31.358 -10.838 1.00 2.23 C ATOM 1348 CE LYS A 87 -12.931 -30.682 -12.127 1.00 11.53 C ATOM 1349 NZ LYS A 87 -12.236 -31.629 -13.039 1.00 55.14 N ATOM 0 H LYS A 87 -14.668 -27.068 -9.952 1.00 40.55 H new ATOM 0 HA LYS A 87 -14.119 -28.799 -7.607 1.00 31.11 H new ATOM 0 HB2 LYS A 87 -12.755 -28.743 -10.327 1.00 10.10 H new ATOM 0 HB3 LYS A 87 -12.256 -29.723 -8.962 1.00 10.10 H new ATOM 0 HG2 LYS A 87 -14.439 -30.918 -9.028 1.00 60.53 H new ATOM 0 HG3 LYS A 87 -14.927 -29.944 -10.401 1.00 60.53 H new ATOM 0 HD2 LYS A 87 -12.508 -31.792 -10.339 1.00 2.23 H new ATOM 0 HD3 LYS A 87 -14.052 -32.179 -11.072 1.00 2.23 H new ATOM 0 HE2 LYS A 87 -13.800 -30.262 -12.634 1.00 11.53 H new ATOM 0 HE3 LYS A 87 -12.266 -29.851 -11.891 1.00 11.53 H new ATOM 0 HZ1 LYS A 87 -11.950 -31.130 -13.905 1.00 55.14 H new ATOM 0 HZ2 LYS A 87 -11.393 -32.011 -12.565 1.00 55.14 H new ATOM 0 HZ3 LYS A 87 -12.878 -32.409 -13.285 1.00 55.14 H new ATOM 1363 N ARG A 88 -11.875 -27.588 -7.128 1.00 62.43 N ATOM 1364 CA ARG A 88 -10.808 -26.699 -6.682 1.00 32.11 C ATOM 1365 C ARG A 88 -9.883 -26.362 -7.850 1.00 42.02 C ATOM 1366 O ARG A 88 -9.455 -27.253 -8.588 1.00 54.55 O ATOM 1367 CB ARG A 88 -10.004 -27.357 -5.558 1.00 65.20 C ATOM 1368 CG ARG A 88 -9.775 -26.454 -4.359 1.00 31.41 C ATOM 1369 CD ARG A 88 -11.081 -26.160 -3.642 1.00 51.21 C ATOM 1370 NE ARG A 88 -10.887 -25.370 -2.428 1.00 42.12 N ATOM 1371 CZ ARG A 88 -11.221 -25.786 -1.208 1.00 73.45 C ATOM 1372 NH1 ARG A 88 -11.708 -27.007 -1.024 1.00 35.21 N ATOM 1373 NH2 ARG A 88 -11.054 -24.984 -0.166 1.00 51.13 N ATOM 0 H ARG A 88 -11.893 -28.492 -6.657 1.00 62.43 H new ATOM 0 HA ARG A 88 -11.256 -25.780 -6.305 1.00 32.11 H new ATOM 0 HB2 ARG A 88 -10.525 -28.256 -5.230 1.00 65.20 H new ATOM 0 HB3 ARG A 88 -9.038 -27.674 -5.952 1.00 65.20 H new ATOM 0 HG2 ARG A 88 -9.077 -26.929 -3.670 1.00 31.41 H new ATOM 0 HG3 ARG A 88 -9.317 -25.520 -4.685 1.00 31.41 H new ATOM 0 HD2 ARG A 88 -11.750 -25.625 -4.317 1.00 51.21 H new ATOM 0 HD3 ARG A 88 -11.571 -27.100 -3.386 1.00 51.21 H new ATOM 0 HE ARG A 88 -10.470 -24.444 -2.521 1.00 42.12 H new ATOM 0 HH11 ARG A 88 -11.828 -27.633 -1.820 1.00 35.21 H new ATOM 0 HH12 ARG A 88 -11.962 -27.319 -0.087 1.00 35.21 H new ATOM 0 HH21 ARG A 88 -10.670 -24.049 -0.299 1.00 51.13 H new ATOM 0 HH22 ARG A 88 -11.310 -25.302 0.769 1.00 51.13 H new ATOM 1387 N ALA A 89 -9.586 -25.081 -8.019 1.00 63.35 N ATOM 1388 CA ALA A 89 -8.764 -24.637 -9.134 1.00 15.51 C ATOM 1389 C ALA A 89 -7.289 -24.948 -8.906 1.00 52.31 C ATOM 1390 O ALA A 89 -6.777 -24.847 -7.789 1.00 13.50 O ATOM 1391 CB ALA A 89 -8.957 -23.150 -9.379 1.00 25.32 C ATOM 0 H ALA A 89 -9.901 -24.334 -7.400 1.00 63.35 H new ATOM 0 HA ALA A 89 -9.087 -25.187 -10.018 1.00 15.51 H new ATOM 0 HB1 ALA A 89 -8.334 -22.835 -10.217 1.00 25.32 H new ATOM 0 HB2 ALA A 89 -10.004 -22.952 -9.610 1.00 25.32 H new ATOM 0 HB3 ALA A 89 -8.672 -22.594 -8.486 1.00 25.32 H new ATOM 1397 N VAL A 90 -6.619 -25.338 -9.978 1.00 21.33 N ATOM 1398 CA VAL A 90 -5.191 -25.605 -9.948 1.00 74.45 C ATOM 1399 C VAL A 90 -4.439 -24.422 -10.539 1.00 64.53 C ATOM 1400 O VAL A 90 -4.616 -24.108 -11.710 1.00 61.42 O ATOM 1401 CB VAL A 90 -4.844 -26.887 -10.739 1.00 24.22 C ATOM 1402 CG1 VAL A 90 -3.351 -27.172 -10.695 1.00 63.05 C ATOM 1403 CG2 VAL A 90 -5.630 -28.074 -10.205 1.00 62.23 C ATOM 0 H VAL A 90 -7.049 -25.478 -10.892 1.00 21.33 H new ATOM 0 HA VAL A 90 -4.893 -25.754 -8.910 1.00 74.45 H new ATOM 0 HB VAL A 90 -5.125 -26.725 -11.780 1.00 24.22 H new ATOM 0 HG11 VAL A 90 -3.137 -28.079 -11.260 1.00 63.05 H new ATOM 0 HG12 VAL A 90 -2.808 -26.335 -11.134 1.00 63.05 H new ATOM 0 HG13 VAL A 90 -3.037 -27.306 -9.660 1.00 63.05 H new ATOM 0 HG21 VAL A 90 -5.372 -28.967 -10.774 1.00 62.23 H new ATOM 0 HG22 VAL A 90 -5.385 -28.230 -9.155 1.00 62.23 H new ATOM 0 HG23 VAL A 90 -6.698 -27.877 -10.303 1.00 62.23 H new