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 -142:sc= 2.03 USER MOD Set 1.2: A 25 THR OG1 : rot 51:sc= 0.473 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -160:sc= 0.597 (180deg=-0.721) USER MOD Set 2.2: A 61 THR OG1 : rot -92:sc= 0.621 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -3.18! K(o=-3.2!,f=-0.18) USER MOD Single : A 36 GLN : amide:sc= -0.17! X(o=-0.17!,f=-0.13) 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= -0.744 USER MOD Single : A 46 MET CE :methyl 159:sc= -1.03 (180deg=-1.68) USER MOD Single : A 62 TYR OH : rot 28:sc= -0.0467 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 72 MET CE :methyl -157:sc= -2 (180deg=-2.63!) USER MOD Single : A 73 ASN : amide:sc= 0.893 K(o=0.89,f=-1.9) USER MOD Single : A 77 HIS : no HD1:sc= -0.633 K(o=-0.63,f=-3.6) USER MOD Single : A 78 LYS NZ :NH3+ 156:sc= -0.119 (180deg=-0.546) USER MOD Single : A 87 LYS NZ :NH3+ -144:sc= -2.06! (180deg=-4.78!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.189 -18.261 -4.021 1.00 54.40 N ATOM 149 CA GLU A 11 -6.372 -18.005 -4.821 1.00 43.44 C ATOM 150 C GLU A 11 -6.890 -19.294 -5.435 1.00 22.34 C ATOM 151 O GLU A 11 -8.084 -19.513 -5.465 1.00 1.44 O ATOM 152 CB GLU A 11 -6.111 -16.970 -5.918 1.00 62.21 C ATOM 153 CG GLU A 11 -7.285 -16.835 -6.878 1.00 63.15 C ATOM 154 CD GLU A 11 -7.180 -15.652 -7.809 1.00 11.35 C ATOM 155 OE1 GLU A 11 -8.232 -15.067 -8.132 1.00 1.03 O ATOM 156 OE2 GLU A 11 -6.056 -15.308 -8.228 1.00 44.13 O ATOM 0 HA GLU A 11 -7.129 -17.595 -4.152 1.00 43.44 H new ATOM 0 HB2 GLU A 11 -5.906 -16.002 -5.460 1.00 62.21 H new ATOM 0 HB3 GLU A 11 -5.219 -17.253 -6.477 1.00 62.21 H new ATOM 0 HG2 GLU A 11 -7.363 -17.746 -7.471 1.00 63.15 H new ATOM 0 HG3 GLU A 11 -8.206 -16.750 -6.301 1.00 63.15 H new ATOM 163 N GLN A 12 -5.988 -20.155 -5.898 1.00 73.43 N ATOM 164 CA GLN A 12 -6.387 -21.425 -6.504 1.00 53.24 C ATOM 165 C GLN A 12 -7.165 -22.273 -5.494 1.00 31.42 C ATOM 166 O GLN A 12 -8.059 -23.032 -5.854 1.00 1.05 O ATOM 167 CB GLN A 12 -5.155 -22.187 -7.007 1.00 13.22 C ATOM 168 CG GLN A 12 -4.346 -22.845 -5.903 1.00 62.34 C ATOM 169 CD GLN A 12 -3.022 -23.405 -6.381 1.00 33.23 C ATOM 170 OE1 GLN A 12 -2.017 -22.697 -6.431 1.00 3.32 O ATOM 171 NE2 GLN A 12 -2.998 -24.689 -6.698 1.00 54.11 N ATOM 0 H GLN A 12 -4.980 -19.999 -5.866 1.00 73.43 H new ATOM 0 HA GLN A 12 -7.035 -21.217 -7.355 1.00 53.24 H new ATOM 0 HB2 GLN A 12 -5.477 -22.952 -7.714 1.00 13.22 H new ATOM 0 HB3 GLN A 12 -4.512 -21.498 -7.554 1.00 13.22 H new ATOM 0 HG2 GLN A 12 -4.160 -22.116 -5.114 1.00 62.34 H new ATOM 0 HG3 GLN A 12 -4.934 -23.649 -5.461 1.00 62.34 H new ATOM 0 HE21 GLN A 12 -3.852 -25.244 -6.644 1.00 54.11 H new ATOM 0 HE22 GLN A 12 -2.125 -25.124 -6.996 1.00 54.11 H new ATOM 180 N LEU A 13 -6.824 -22.107 -4.224 1.00 32.14 N ATOM 181 CA LEU A 13 -7.498 -22.803 -3.139 1.00 74.52 C ATOM 182 C LEU A 13 -8.918 -22.281 -2.972 1.00 64.03 C ATOM 183 O LEU A 13 -9.858 -23.045 -2.741 1.00 61.30 O ATOM 184 CB LEU A 13 -6.716 -22.596 -1.843 1.00 42.24 C ATOM 185 CG LEU A 13 -7.495 -22.869 -0.561 1.00 44.24 C ATOM 186 CD1 LEU A 13 -7.801 -24.348 -0.425 1.00 61.32 C ATOM 187 CD2 LEU A 13 -6.726 -22.352 0.639 1.00 54.22 C ATOM 0 H LEU A 13 -6.074 -21.487 -3.918 1.00 32.14 H new ATOM 0 HA LEU A 13 -7.545 -23.866 -3.375 1.00 74.52 H new ATOM 0 HB2 LEU A 13 -5.839 -23.243 -1.860 1.00 42.24 H new ATOM 0 HB3 LEU A 13 -6.354 -21.568 -1.817 1.00 42.24 H new ATOM 0 HG LEU A 13 -8.446 -22.339 -0.608 1.00 44.24 H new ATOM 0 HD11 LEU A 13 -8.357 -24.521 0.496 1.00 61.32 H new ATOM 0 HD12 LEU A 13 -8.398 -24.676 -1.276 1.00 61.32 H new ATOM 0 HD13 LEU A 13 -6.868 -24.911 -0.397 1.00 61.32 H new ATOM 0 HD21 LEU A 13 -7.293 -22.553 1.548 1.00 54.22 H new ATOM 0 HD22 LEU A 13 -5.760 -22.853 0.695 1.00 54.22 H new ATOM 0 HD23 LEU A 13 -6.572 -21.278 0.537 1.00 54.22 H new ATOM 199 N ARG A 14 -9.053 -20.972 -3.084 1.00 3.54 N ATOM 200 CA ARG A 14 -10.333 -20.306 -2.890 1.00 31.30 C ATOM 201 C ARG A 14 -11.093 -20.181 -4.205 1.00 51.12 C ATOM 202 O ARG A 14 -12.234 -19.720 -4.236 1.00 54.32 O ATOM 203 CB ARG A 14 -10.117 -18.916 -2.295 1.00 51.40 C ATOM 204 CG ARG A 14 -9.507 -18.930 -0.905 1.00 62.14 C ATOM 205 CD ARG A 14 -9.281 -17.520 -0.388 1.00 61.44 C ATOM 206 NE ARG A 14 -8.203 -16.833 -1.099 1.00 72.10 N ATOM 207 CZ ARG A 14 -8.361 -15.701 -1.784 1.00 34.32 C ATOM 208 NH1 ARG A 14 -9.567 -15.163 -1.929 1.00 5.52 N ATOM 209 NH2 ARG A 14 -7.316 -15.110 -2.343 1.00 30.12 N ATOM 0 H ARG A 14 -8.284 -20.341 -3.311 1.00 3.54 H new ATOM 0 HA ARG A 14 -10.924 -20.912 -2.203 1.00 31.30 H new ATOM 0 HB2 ARG A 14 -9.470 -18.344 -2.959 1.00 51.40 H new ATOM 0 HB3 ARG A 14 -11.074 -18.395 -2.256 1.00 51.40 H new ATOM 0 HG2 ARG A 14 -10.164 -19.469 -0.222 1.00 62.14 H new ATOM 0 HG3 ARG A 14 -8.559 -19.468 -0.927 1.00 62.14 H new ATOM 0 HD2 ARG A 14 -10.203 -16.947 -0.489 1.00 61.44 H new ATOM 0 HD3 ARG A 14 -9.045 -17.559 0.675 1.00 61.44 H new ATOM 0 HE ARG A 14 -7.271 -17.247 -1.069 1.00 72.10 H new ATOM 0 HH11 ARG A 14 -10.381 -15.617 -1.514 1.00 5.52 H new ATOM 0 HH12 ARG A 14 -9.679 -14.296 -2.455 1.00 5.52 H new ATOM 0 HH21 ARG A 14 -6.387 -15.521 -2.250 1.00 30.12 H new ATOM 0 HH22 ARG A 14 -7.440 -14.244 -2.867 1.00 30.12 H new ATOM 223 N LYS A 15 -10.451 -20.584 -5.285 1.00 23.52 N ATOM 224 CA LYS A 15 -11.040 -20.473 -6.610 1.00 71.13 C ATOM 225 C LYS A 15 -11.684 -21.790 -7.000 1.00 4.15 C ATOM 226 O LYS A 15 -11.095 -22.859 -6.844 1.00 64.52 O ATOM 227 CB LYS A 15 -9.989 -20.065 -7.655 1.00 63.11 C ATOM 228 CG LYS A 15 -10.574 -19.763 -9.028 1.00 71.12 C ATOM 229 CD LYS A 15 -9.491 -19.505 -10.071 1.00 1.20 C ATOM 230 CE LYS A 15 -8.764 -18.185 -9.850 1.00 62.13 C ATOM 231 NZ LYS A 15 -9.664 -17.007 -9.990 1.00 3.14 N ATOM 0 H LYS A 15 -9.517 -20.993 -5.272 1.00 23.52 H new ATOM 0 HA LYS A 15 -11.802 -19.694 -6.580 1.00 71.13 H new ATOM 0 HB2 LYS A 15 -9.455 -19.185 -7.296 1.00 63.11 H new ATOM 0 HB3 LYS A 15 -9.255 -20.865 -7.751 1.00 63.11 H new ATOM 0 HG2 LYS A 15 -11.194 -20.600 -9.349 1.00 71.12 H new ATOM 0 HG3 LYS A 15 -11.226 -18.892 -8.960 1.00 71.12 H new ATOM 0 HD2 LYS A 15 -8.769 -20.321 -10.048 1.00 1.20 H new ATOM 0 HD3 LYS A 15 -9.941 -19.505 -11.064 1.00 1.20 H new ATOM 0 HE2 LYS A 15 -8.319 -18.182 -8.855 1.00 62.13 H new ATOM 0 HE3 LYS A 15 -7.946 -18.100 -10.566 1.00 62.13 H new ATOM 0 HZ1 LYS A 15 -9.095 -16.155 -10.169 1.00 3.14 H new ATOM 0 HZ2 LYS A 15 -10.317 -17.161 -10.785 1.00 3.14 H new ATOM 0 HZ3 LYS A 15 -10.210 -16.881 -9.114 1.00 3.14 H new ATOM 245 N LEU A 16 -12.903 -21.701 -7.480 1.00 34.35 N ATOM 246 CA LEU A 16 -13.650 -22.864 -7.899 1.00 22.24 C ATOM 247 C LEU A 16 -13.590 -23.002 -9.415 1.00 72.21 C ATOM 248 O LEU A 16 -13.848 -22.044 -10.148 1.00 14.44 O ATOM 249 CB LEU A 16 -15.098 -22.720 -7.435 1.00 64.31 C ATOM 250 CG LEU A 16 -15.801 -24.012 -7.033 1.00 62.45 C ATOM 251 CD1 LEU A 16 -14.957 -24.788 -6.039 1.00 43.42 C ATOM 252 CD2 LEU A 16 -17.162 -23.697 -6.434 1.00 72.03 C ATOM 0 H LEU A 16 -13.405 -20.820 -7.591 1.00 34.35 H new ATOM 0 HA LEU A 16 -13.216 -23.760 -7.455 1.00 22.24 H new ATOM 0 HB2 LEU A 16 -15.121 -22.038 -6.585 1.00 64.31 H new ATOM 0 HB3 LEU A 16 -15.671 -22.252 -8.235 1.00 64.31 H new ATOM 0 HG LEU A 16 -15.939 -24.627 -7.922 1.00 62.45 H new ATOM 0 HD11 LEU A 16 -15.473 -25.707 -5.763 1.00 43.42 H new ATOM 0 HD12 LEU A 16 -13.996 -25.034 -6.491 1.00 43.42 H new ATOM 0 HD13 LEU A 16 -14.794 -24.181 -5.148 1.00 43.42 H new ATOM 0 HD21 LEU A 16 -17.658 -24.625 -6.149 1.00 72.03 H new ATOM 0 HD22 LEU A 16 -17.035 -23.068 -5.553 1.00 72.03 H new ATOM 0 HD23 LEU A 16 -17.771 -23.171 -7.170 1.00 72.03 H new ATOM 264 N PHE A 17 -13.217 -24.186 -9.873 1.00 11.43 N ATOM 265 CA PHE A 17 -13.201 -24.499 -11.291 1.00 52.52 C ATOM 266 C PHE A 17 -14.578 -24.970 -11.712 1.00 73.22 C ATOM 267 O PHE A 17 -15.069 -25.984 -11.214 1.00 34.52 O ATOM 268 CB PHE A 17 -12.173 -25.593 -11.591 1.00 64.10 C ATOM 269 CG PHE A 17 -12.126 -26.002 -13.039 1.00 33.34 C ATOM 270 CD1 PHE A 17 -12.201 -27.337 -13.395 1.00 15.42 C ATOM 271 CD2 PHE A 17 -12.017 -25.053 -14.043 1.00 54.41 C ATOM 272 CE1 PHE A 17 -12.169 -27.719 -14.720 1.00 55.53 C ATOM 273 CE2 PHE A 17 -11.984 -25.430 -15.371 1.00 3.44 C ATOM 274 CZ PHE A 17 -12.059 -26.765 -15.710 1.00 33.35 C ATOM 0 H PHE A 17 -12.918 -24.955 -9.273 1.00 11.43 H new ATOM 0 HA PHE A 17 -12.926 -23.603 -11.847 1.00 52.52 H new ATOM 0 HB2 PHE A 17 -11.186 -25.243 -11.290 1.00 64.10 H new ATOM 0 HB3 PHE A 17 -12.400 -26.469 -10.983 1.00 64.10 H new ATOM 0 HD1 PHE A 17 -12.286 -28.090 -12.625 1.00 15.42 H new ATOM 0 HD2 PHE A 17 -11.957 -24.006 -13.784 1.00 54.41 H new ATOM 0 HE1 PHE A 17 -12.230 -28.765 -14.982 1.00 55.53 H new ATOM 0 HE2 PHE A 17 -11.900 -24.680 -16.144 1.00 3.44 H new ATOM 0 HZ PHE A 17 -12.032 -27.062 -16.748 1.00 33.35 H new ATOM 284 N ILE A 18 -15.204 -24.236 -12.610 1.00 12.44 N ATOM 285 CA ILE A 18 -16.545 -24.568 -13.044 1.00 31.51 C ATOM 286 C ILE A 18 -16.521 -25.115 -14.458 1.00 74.25 C ATOM 287 O ILE A 18 -16.517 -24.354 -15.421 1.00 3.34 O ATOM 288 CB ILE A 18 -17.485 -23.345 -13.009 1.00 51.44 C ATOM 289 CG1 ILE A 18 -17.246 -22.500 -11.751 1.00 31.11 C ATOM 290 CG2 ILE A 18 -18.934 -23.803 -13.080 1.00 22.02 C ATOM 291 CD1 ILE A 18 -17.360 -23.273 -10.455 1.00 14.42 C ATOM 0 H ILE A 18 -14.806 -23.407 -13.052 1.00 12.44 H new ATOM 0 HA ILE A 18 -16.923 -25.319 -12.351 1.00 31.51 H new ATOM 0 HB ILE A 18 -17.269 -22.719 -13.875 1.00 51.44 H new ATOM 0 HG12 ILE A 18 -16.253 -22.054 -11.809 1.00 31.11 H new ATOM 0 HG13 ILE A 18 -17.963 -21.679 -11.736 1.00 31.11 H new ATOM 0 HG21 ILE A 18 -19.592 -22.934 -13.055 1.00 22.02 H new ATOM 0 HG22 ILE A 18 -19.096 -24.354 -14.006 1.00 22.02 H new ATOM 0 HG23 ILE A 18 -19.153 -24.449 -12.230 1.00 22.02 H new ATOM 0 HD11 ILE A 18 -17.177 -22.603 -9.615 1.00 14.42 H new ATOM 0 HD12 ILE A 18 -18.361 -23.696 -10.371 1.00 14.42 H new ATOM 0 HD13 ILE A 18 -16.624 -24.077 -10.445 1.00 14.42 H new ATOM 303 N GLY A 19 -16.485 -26.428 -14.580 1.00 64.42 N ATOM 304 CA GLY A 19 -16.504 -27.044 -15.886 1.00 1.51 C ATOM 305 C GLY A 19 -17.845 -27.672 -16.166 1.00 44.33 C ATOM 306 O GLY A 19 -18.462 -28.249 -15.266 1.00 34.21 O ATOM 0 H GLY A 19 -16.443 -27.080 -13.797 1.00 64.42 H new ATOM 0 HA2 GLY A 19 -16.282 -26.297 -16.648 1.00 1.51 H new ATOM 0 HA3 GLY A 19 -15.723 -27.802 -15.946 1.00 1.51 H new ATOM 310 N GLY A 20 -18.316 -27.544 -17.394 1.00 4.42 N ATOM 311 CA GLY A 20 -19.567 -28.169 -17.766 1.00 61.32 C ATOM 312 C GLY A 20 -20.657 -27.166 -18.056 1.00 34.11 C ATOM 313 O GLY A 20 -21.782 -27.546 -18.366 1.00 32.50 O ATOM 0 H GLY A 20 -17.857 -27.020 -18.139 1.00 4.42 H new ATOM 0 HA2 GLY A 20 -19.409 -28.792 -18.646 1.00 61.32 H new ATOM 0 HA3 GLY A 20 -19.891 -28.829 -16.962 1.00 61.32 H new ATOM 317 N LEU A 21 -20.326 -25.888 -17.971 1.00 31.23 N ATOM 318 CA LEU A 21 -21.310 -24.839 -18.185 1.00 54.34 C ATOM 319 C LEU A 21 -21.502 -24.561 -19.672 1.00 70.31 C ATOM 320 O LEU A 21 -20.672 -24.947 -20.498 1.00 12.11 O ATOM 321 CB LEU A 21 -20.919 -23.574 -17.412 1.00 44.33 C ATOM 322 CG LEU A 21 -19.479 -23.082 -17.594 1.00 73.21 C ATOM 323 CD1 LEU A 21 -19.328 -22.262 -18.865 1.00 45.50 C ATOM 324 CD2 LEU A 21 -19.052 -22.267 -16.387 1.00 14.35 C ATOM 0 H LEU A 21 -19.387 -25.552 -17.756 1.00 31.23 H new ATOM 0 HA LEU A 21 -22.271 -25.180 -17.799 1.00 54.34 H new ATOM 0 HB2 LEU A 21 -21.594 -22.771 -17.707 1.00 44.33 H new ATOM 0 HB3 LEU A 21 -21.086 -23.757 -16.351 1.00 44.33 H new ATOM 0 HG LEU A 21 -18.833 -23.955 -17.684 1.00 73.21 H new ATOM 0 HD11 LEU A 21 -18.295 -21.929 -18.963 1.00 45.50 H new ATOM 0 HD12 LEU A 21 -19.595 -22.874 -19.727 1.00 45.50 H new ATOM 0 HD13 LEU A 21 -19.986 -21.394 -18.818 1.00 45.50 H new ATOM 0 HD21 LEU A 21 -18.027 -21.922 -16.525 1.00 14.35 H new ATOM 0 HD22 LEU A 21 -19.713 -21.407 -16.276 1.00 14.35 H new ATOM 0 HD23 LEU A 21 -19.109 -22.886 -15.492 1.00 14.35 H new ATOM 336 N SER A 22 -22.597 -23.894 -20.002 1.00 40.33 N ATOM 337 CA SER A 22 -22.989 -23.691 -21.387 1.00 74.11 C ATOM 338 C SER A 22 -22.167 -22.584 -22.039 1.00 63.21 C ATOM 339 O SER A 22 -21.343 -21.936 -21.391 1.00 50.44 O ATOM 340 CB SER A 22 -24.472 -23.334 -21.451 1.00 73.14 C ATOM 341 OG SER A 22 -24.727 -22.128 -20.748 1.00 12.15 O ATOM 0 H SER A 22 -23.235 -23.481 -19.322 1.00 40.33 H new ATOM 0 HA SER A 22 -22.805 -24.617 -21.933 1.00 74.11 H new ATOM 0 HB2 SER A 22 -24.781 -23.227 -22.491 1.00 73.14 H new ATOM 0 HB3 SER A 22 -25.065 -24.143 -21.024 1.00 73.14 H new ATOM 0 HG SER A 22 -25.584 -22.198 -20.278 1.00 12.15 H new ATOM 347 N PHE A 23 -22.414 -22.351 -23.319 1.00 74.33 N ATOM 348 CA PHE A 23 -21.743 -21.279 -24.037 1.00 4.11 C ATOM 349 C PHE A 23 -22.499 -19.971 -23.838 1.00 32.24 C ATOM 350 O PHE A 23 -22.143 -18.934 -24.399 1.00 61.33 O ATOM 351 CB PHE A 23 -21.633 -21.617 -25.526 1.00 11.12 C ATOM 352 CG PHE A 23 -20.982 -22.947 -25.782 1.00 4.42 C ATOM 353 CD1 PHE A 23 -21.667 -23.949 -26.447 1.00 31.43 C ATOM 354 CD2 PHE A 23 -19.692 -23.199 -25.346 1.00 64.13 C ATOM 355 CE1 PHE A 23 -21.077 -25.176 -26.674 1.00 63.33 C ATOM 356 CE2 PHE A 23 -19.096 -24.422 -25.571 1.00 54.43 C ATOM 357 CZ PHE A 23 -19.789 -25.413 -26.236 1.00 42.33 C ATOM 0 H PHE A 23 -23.073 -22.889 -23.881 1.00 74.33 H new ATOM 0 HA PHE A 23 -20.734 -21.166 -23.640 1.00 4.11 H new ATOM 0 HB2 PHE A 23 -22.630 -21.616 -25.967 1.00 11.12 H new ATOM 0 HB3 PHE A 23 -21.061 -20.837 -26.028 1.00 11.12 H new ATOM 0 HD1 PHE A 23 -22.674 -23.769 -26.792 1.00 31.43 H new ATOM 0 HD2 PHE A 23 -19.146 -22.428 -24.823 1.00 64.13 H new ATOM 0 HE1 PHE A 23 -21.622 -25.950 -27.194 1.00 63.33 H new ATOM 0 HE2 PHE A 23 -18.088 -24.604 -25.227 1.00 54.43 H new ATOM 0 HZ PHE A 23 -19.325 -26.372 -26.413 1.00 42.33 H new ATOM 367 N GLU A 24 -23.552 -20.039 -23.034 1.00 33.10 N ATOM 368 CA GLU A 24 -24.334 -18.864 -22.682 1.00 61.13 C ATOM 369 C GLU A 24 -23.993 -18.421 -21.267 1.00 65.14 C ATOM 370 O GLU A 24 -24.409 -17.354 -20.812 1.00 55.13 O ATOM 371 CB GLU A 24 -25.826 -19.171 -22.785 1.00 13.41 C ATOM 372 CG GLU A 24 -26.222 -19.801 -24.108 1.00 50.22 C ATOM 373 CD GLU A 24 -27.717 -19.983 -24.240 1.00 0.11 C ATOM 374 OE1 GLU A 24 -28.408 -19.018 -24.630 1.00 55.12 O ATOM 375 OE2 GLU A 24 -28.213 -21.096 -23.965 1.00 64.50 O ATOM 0 H GLU A 24 -23.886 -20.905 -22.610 1.00 33.10 H new ATOM 0 HA GLU A 24 -24.093 -18.060 -23.377 1.00 61.13 H new ATOM 0 HB2 GLU A 24 -26.108 -19.841 -21.973 1.00 13.41 H new ATOM 0 HB3 GLU A 24 -26.390 -18.248 -22.647 1.00 13.41 H new ATOM 0 HG2 GLU A 24 -25.862 -19.177 -24.926 1.00 50.22 H new ATOM 0 HG3 GLU A 24 -25.732 -20.769 -24.206 1.00 50.22 H new ATOM 382 N THR A 25 -23.239 -19.261 -20.574 1.00 11.12 N ATOM 383 CA THR A 25 -22.819 -18.968 -19.217 1.00 64.11 C ATOM 384 C THR A 25 -21.763 -17.862 -19.196 1.00 71.04 C ATOM 385 O THR A 25 -20.567 -18.119 -19.344 1.00 24.13 O ATOM 386 CB THR A 25 -22.259 -20.227 -18.530 1.00 53.22 C ATOM 387 OG1 THR A 25 -23.215 -21.295 -18.609 1.00 0.32 O ATOM 388 CG2 THR A 25 -21.932 -19.945 -17.072 1.00 70.43 C ATOM 0 H THR A 25 -22.905 -20.155 -20.934 1.00 11.12 H new ATOM 0 HA THR A 25 -23.698 -18.627 -18.670 1.00 64.11 H new ATOM 0 HB THR A 25 -21.343 -20.518 -19.044 1.00 53.22 H new ATOM 0 HG1 THR A 25 -23.515 -21.397 -19.536 1.00 0.32 H new ATOM 0 HG21 THR A 25 -21.538 -20.848 -16.606 1.00 70.43 H new ATOM 0 HG22 THR A 25 -21.187 -19.152 -17.013 1.00 70.43 H new ATOM 0 HG23 THR A 25 -22.837 -19.633 -16.550 1.00 70.43 H new ATOM 396 N THR A 26 -22.222 -16.630 -19.054 1.00 35.22 N ATOM 397 CA THR A 26 -21.334 -15.484 -18.945 1.00 24.31 C ATOM 398 C THR A 26 -20.885 -15.298 -17.500 1.00 64.34 C ATOM 399 O THR A 26 -21.507 -15.828 -16.581 1.00 71.23 O ATOM 400 CB THR A 26 -22.012 -14.202 -19.483 1.00 74.54 C ATOM 401 OG1 THR A 26 -21.205 -13.052 -19.209 1.00 24.01 O ATOM 402 CG2 THR A 26 -23.398 -14.017 -18.882 1.00 73.34 C ATOM 0 H THR A 26 -23.214 -16.396 -19.011 1.00 35.22 H new ATOM 0 HA THR A 26 -20.453 -15.674 -19.558 1.00 24.31 H new ATOM 0 HB THR A 26 -22.118 -14.313 -20.562 1.00 74.54 H new ATOM 0 HG1 THR A 26 -21.648 -12.251 -19.558 1.00 24.01 H new ATOM 0 HG21 THR A 26 -23.849 -13.108 -19.280 1.00 73.34 H new ATOM 0 HG22 THR A 26 -24.023 -14.873 -19.137 1.00 73.34 H new ATOM 0 HG23 THR A 26 -23.317 -13.938 -17.798 1.00 73.34 H new ATOM 410 N ASP A 27 -19.806 -14.545 -17.312 1.00 55.54 N ATOM 411 CA ASP A 27 -19.184 -14.383 -15.999 1.00 20.51 C ATOM 412 C ASP A 27 -20.160 -13.800 -14.997 1.00 54.42 C ATOM 413 O ASP A 27 -20.239 -14.248 -13.854 1.00 55.13 O ATOM 414 CB ASP A 27 -17.942 -13.496 -16.099 1.00 62.41 C ATOM 415 CG ASP A 27 -18.248 -12.053 -16.452 1.00 1.41 C ATOM 416 OD1 ASP A 27 -18.739 -11.802 -17.570 1.00 51.34 O ATOM 417 OD2 ASP A 27 -17.978 -11.161 -15.626 1.00 32.32 O ATOM 0 H ASP A 27 -19.339 -14.032 -18.060 1.00 55.54 H new ATOM 0 HA ASP A 27 -18.886 -15.371 -15.649 1.00 20.51 H new ATOM 0 HB2 ASP A 27 -17.410 -13.523 -15.148 1.00 62.41 H new ATOM 0 HB3 ASP A 27 -17.271 -13.910 -16.851 1.00 62.41 H new ATOM 422 N GLU A 28 -20.904 -12.807 -15.441 1.00 4.53 N ATOM 423 CA GLU A 28 -21.913 -12.170 -14.611 1.00 72.42 C ATOM 424 C GLU A 28 -22.988 -13.163 -14.182 1.00 61.32 C ATOM 425 O GLU A 28 -23.398 -13.181 -13.023 1.00 5.45 O ATOM 426 CB GLU A 28 -22.539 -10.990 -15.351 1.00 55.41 C ATOM 427 CG GLU A 28 -23.012 -11.330 -16.755 1.00 41.43 C ATOM 428 CD GLU A 28 -23.795 -10.209 -17.397 1.00 62.15 C ATOM 429 OE1 GLU A 28 -23.193 -9.164 -17.722 1.00 42.44 O ATOM 430 OE2 GLU A 28 -25.016 -10.372 -17.589 1.00 33.14 O ATOM 0 H GLU A 28 -20.829 -12.419 -16.381 1.00 4.53 H new ATOM 0 HA GLU A 28 -21.423 -11.801 -13.710 1.00 72.42 H new ATOM 0 HB2 GLU A 28 -23.384 -10.617 -14.773 1.00 55.41 H new ATOM 0 HB3 GLU A 28 -21.811 -10.181 -15.409 1.00 55.41 H new ATOM 0 HG2 GLU A 28 -22.149 -11.566 -17.377 1.00 41.43 H new ATOM 0 HG3 GLU A 28 -23.633 -12.225 -16.717 1.00 41.43 H new ATOM 437 N SER A 29 -23.418 -14.010 -15.108 1.00 54.13 N ATOM 438 CA SER A 29 -24.417 -15.014 -14.792 1.00 1.55 C ATOM 439 C SER A 29 -23.800 -16.067 -13.882 1.00 51.33 C ATOM 440 O SER A 29 -24.411 -16.514 -12.914 1.00 2.31 O ATOM 441 CB SER A 29 -24.953 -15.656 -16.077 1.00 63.43 C ATOM 442 OG SER A 29 -25.997 -16.575 -15.806 1.00 42.33 O ATOM 0 H SER A 29 -23.092 -14.020 -16.075 1.00 54.13 H new ATOM 0 HA SER A 29 -25.254 -14.543 -14.277 1.00 1.55 H new ATOM 0 HB2 SER A 29 -25.318 -14.878 -16.748 1.00 63.43 H new ATOM 0 HB3 SER A 29 -24.142 -16.169 -16.594 1.00 63.43 H new ATOM 0 HG SER A 29 -26.316 -16.964 -16.647 1.00 42.33 H new ATOM 448 N LEU A 30 -22.551 -16.402 -14.170 1.00 52.54 N ATOM 449 CA LEU A 30 -21.841 -17.438 -13.439 1.00 34.52 C ATOM 450 C LEU A 30 -21.679 -17.015 -11.985 1.00 74.32 C ATOM 451 O LEU A 30 -21.920 -17.801 -11.068 1.00 22.00 O ATOM 452 CB LEU A 30 -20.477 -17.701 -14.103 1.00 34.24 C ATOM 453 CG LEU A 30 -19.770 -19.017 -13.735 1.00 13.02 C ATOM 454 CD1 LEU A 30 -19.145 -18.944 -12.355 1.00 54.32 C ATOM 455 CD2 LEU A 30 -20.739 -20.185 -13.811 1.00 71.41 C ATOM 0 H LEU A 30 -22.005 -15.966 -14.913 1.00 52.54 H new ATOM 0 HA LEU A 30 -22.411 -18.367 -13.462 1.00 34.52 H new ATOM 0 HB2 LEU A 30 -20.615 -17.680 -15.184 1.00 34.24 H new ATOM 0 HB3 LEU A 30 -19.811 -16.875 -13.851 1.00 34.24 H new ATOM 0 HG LEU A 30 -18.971 -19.174 -14.459 1.00 13.02 H new ATOM 0 HD11 LEU A 30 -18.654 -19.890 -12.127 1.00 54.32 H new ATOM 0 HD12 LEU A 30 -18.410 -18.139 -12.330 1.00 54.32 H new ATOM 0 HD13 LEU A 30 -19.921 -18.750 -11.614 1.00 54.32 H new ATOM 0 HD21 LEU A 30 -20.220 -21.106 -13.547 1.00 71.41 H new ATOM 0 HD22 LEU A 30 -21.562 -20.021 -13.116 1.00 71.41 H new ATOM 0 HD23 LEU A 30 -21.131 -20.267 -14.825 1.00 71.41 H new ATOM 467 N ARG A 31 -21.307 -15.758 -11.772 1.00 4.44 N ATOM 468 CA ARG A 31 -21.130 -15.255 -10.423 1.00 2.20 C ATOM 469 C ARG A 31 -22.473 -15.198 -9.704 1.00 11.30 C ATOM 470 O ARG A 31 -22.561 -15.549 -8.541 1.00 23.34 O ATOM 471 CB ARG A 31 -20.444 -13.877 -10.416 1.00 70.43 C ATOM 472 CG ARG A 31 -21.397 -12.695 -10.447 1.00 4.42 C ATOM 473 CD ARG A 31 -20.649 -11.373 -10.459 1.00 4.10 C ATOM 474 NE ARG A 31 -21.523 -10.241 -10.771 1.00 22.30 N ATOM 475 CZ ARG A 31 -22.083 -9.446 -9.857 1.00 0.00 C ATOM 476 NH1 ARG A 31 -21.948 -9.706 -8.563 1.00 13.13 N ATOM 477 NH2 ARG A 31 -22.798 -8.402 -10.250 1.00 62.00 N ATOM 0 H ARG A 31 -21.125 -15.078 -12.510 1.00 4.44 H new ATOM 0 HA ARG A 31 -20.475 -15.944 -9.890 1.00 2.20 H new ATOM 0 HB2 ARG A 31 -19.821 -13.801 -9.525 1.00 70.43 H new ATOM 0 HB3 ARG A 31 -19.779 -13.813 -11.277 1.00 70.43 H new ATOM 0 HG2 ARG A 31 -22.032 -12.762 -11.330 1.00 4.42 H new ATOM 0 HG3 ARG A 31 -22.054 -12.734 -9.578 1.00 4.42 H new ATOM 0 HD2 ARG A 31 -20.184 -11.213 -9.486 1.00 4.10 H new ATOM 0 HD3 ARG A 31 -19.844 -11.420 -11.193 1.00 4.10 H new ATOM 0 HE ARG A 31 -21.717 -10.047 -11.753 1.00 22.30 H new ATOM 0 HH11 ARG A 31 -21.413 -10.519 -8.259 1.00 13.13 H new ATOM 0 HH12 ARG A 31 -22.380 -9.093 -7.872 1.00 13.13 H new ATOM 0 HH21 ARG A 31 -22.917 -8.211 -11.245 1.00 62.00 H new ATOM 0 HH22 ARG A 31 -23.229 -7.790 -9.558 1.00 62.00 H new ATOM 491 N SER A 32 -23.524 -14.805 -10.414 1.00 72.01 N ATOM 492 CA SER A 32 -24.842 -14.666 -9.810 1.00 60.30 C ATOM 493 C SER A 32 -25.329 -16.003 -9.247 1.00 62.23 C ATOM 494 O SER A 32 -25.989 -16.049 -8.208 1.00 52.04 O ATOM 495 CB SER A 32 -25.835 -14.116 -10.842 1.00 34.13 C ATOM 496 OG SER A 32 -27.118 -13.890 -10.277 1.00 15.34 O ATOM 0 H SER A 32 -23.488 -14.577 -11.408 1.00 72.01 H new ATOM 0 HA SER A 32 -24.772 -13.962 -8.981 1.00 60.30 H new ATOM 0 HB2 SER A 32 -25.451 -13.183 -11.254 1.00 34.13 H new ATOM 0 HB3 SER A 32 -25.922 -14.818 -11.671 1.00 34.13 H new ATOM 0 HG SER A 32 -27.721 -13.539 -10.965 1.00 15.34 H new ATOM 502 N HIS A 33 -24.983 -17.091 -9.919 1.00 40.20 N ATOM 503 CA HIS A 33 -25.379 -18.416 -9.465 1.00 14.30 C ATOM 504 C HIS A 33 -24.455 -18.930 -8.362 1.00 63.24 C ATOM 505 O HIS A 33 -24.871 -19.705 -7.509 1.00 3.52 O ATOM 506 CB HIS A 33 -25.410 -19.403 -10.636 1.00 65.45 C ATOM 507 CG HIS A 33 -26.556 -19.176 -11.576 1.00 64.32 C ATOM 508 ND1 HIS A 33 -27.683 -19.957 -11.530 1.00 32.45 N ATOM 509 CD2 HIS A 33 -26.700 -18.253 -12.555 1.00 62.43 C ATOM 510 CE1 HIS A 33 -28.480 -19.493 -12.474 1.00 44.03 C ATOM 511 NE2 HIS A 33 -27.930 -18.462 -13.123 1.00 51.15 N ATOM 0 H HIS A 33 -24.431 -17.083 -10.777 1.00 40.20 H new ATOM 0 HA HIS A 33 -26.383 -18.333 -9.049 1.00 14.30 H new ATOM 0 HB2 HIS A 33 -24.475 -19.327 -11.190 1.00 65.45 H new ATOM 0 HB3 HIS A 33 -25.467 -20.419 -10.244 1.00 65.45 H new ATOM 0 HD2 HIS A 33 -25.983 -17.496 -12.835 1.00 62.43 H new ATOM 0 HE1 HIS A 33 -29.457 -19.897 -12.695 1.00 44.03 H new ATOM 0 HE2 HIS A 33 -28.345 -17.934 -13.891 1.00 51.15 H new ATOM 519 N PHE A 34 -23.207 -18.490 -8.360 1.00 1.01 N ATOM 520 CA PHE A 34 -22.248 -18.981 -7.377 1.00 65.30 C ATOM 521 C PHE A 34 -22.134 -18.062 -6.162 1.00 14.10 C ATOM 522 O PHE A 34 -21.627 -18.474 -5.120 1.00 55.12 O ATOM 523 CB PHE A 34 -20.881 -19.209 -8.022 1.00 3.43 C ATOM 524 CG PHE A 34 -20.804 -20.515 -8.759 1.00 11.15 C ATOM 525 CD1 PHE A 34 -20.277 -21.636 -8.144 1.00 61.23 C ATOM 526 CD2 PHE A 34 -21.273 -20.626 -10.057 1.00 41.45 C ATOM 527 CE1 PHE A 34 -20.218 -22.844 -8.808 1.00 73.22 C ATOM 528 CE2 PHE A 34 -21.214 -21.831 -10.728 1.00 5.00 C ATOM 529 CZ PHE A 34 -20.686 -22.942 -10.102 1.00 3.43 C ATOM 0 H PHE A 34 -22.836 -17.804 -9.017 1.00 1.01 H new ATOM 0 HA PHE A 34 -22.625 -19.937 -7.013 1.00 65.30 H new ATOM 0 HB2 PHE A 34 -20.668 -18.393 -8.712 1.00 3.43 H new ATOM 0 HB3 PHE A 34 -20.110 -19.184 -7.251 1.00 3.43 H new ATOM 0 HD1 PHE A 34 -19.907 -21.565 -7.132 1.00 61.23 H new ATOM 0 HD2 PHE A 34 -21.690 -19.760 -10.550 1.00 41.45 H new ATOM 0 HE1 PHE A 34 -19.806 -23.712 -8.315 1.00 73.22 H new ATOM 0 HE2 PHE A 34 -21.580 -21.904 -11.741 1.00 5.00 H new ATOM 0 HZ PHE A 34 -20.639 -23.886 -10.624 1.00 3.43 H new ATOM 539 N GLU A 35 -22.627 -16.834 -6.282 1.00 61.04 N ATOM 540 CA GLU A 35 -22.641 -15.899 -5.158 1.00 53.12 C ATOM 541 C GLU A 35 -23.813 -16.192 -4.229 1.00 74.02 C ATOM 542 O GLU A 35 -24.120 -15.418 -3.318 1.00 33.43 O ATOM 543 CB GLU A 35 -22.700 -14.448 -5.637 1.00 75.14 C ATOM 544 CG GLU A 35 -21.411 -13.974 -6.285 1.00 71.02 C ATOM 545 CD GLU A 35 -21.473 -12.531 -6.730 1.00 13.01 C ATOM 546 OE1 GLU A 35 -20.533 -11.770 -6.429 1.00 42.23 O ATOM 547 OE2 GLU A 35 -22.466 -12.150 -7.378 1.00 54.01 O ATOM 0 H GLU A 35 -23.022 -16.461 -7.145 1.00 61.04 H new ATOM 0 HA GLU A 35 -21.710 -16.036 -4.607 1.00 53.12 H new ATOM 0 HB2 GLU A 35 -23.517 -14.342 -6.350 1.00 75.14 H new ATOM 0 HB3 GLU A 35 -22.931 -13.802 -4.790 1.00 75.14 H new ATOM 0 HG2 GLU A 35 -20.589 -14.096 -5.580 1.00 71.02 H new ATOM 0 HG3 GLU A 35 -21.189 -14.605 -7.146 1.00 71.02 H new ATOM 554 N GLN A 36 -24.456 -17.322 -4.460 1.00 71.22 N ATOM 555 CA GLN A 36 -25.575 -17.753 -3.640 1.00 25.41 C ATOM 556 C GLN A 36 -25.088 -18.453 -2.372 1.00 54.41 C ATOM 557 O GLN A 36 -25.671 -18.289 -1.300 1.00 42.00 O ATOM 558 CB GLN A 36 -26.493 -18.668 -4.448 1.00 71.14 C ATOM 559 CG GLN A 36 -27.538 -17.912 -5.259 1.00 43.51 C ATOM 560 CD GLN A 36 -28.243 -18.777 -6.292 1.00 34.23 C ATOM 561 OE1 GLN A 36 -29.429 -18.593 -6.566 1.00 10.15 O ATOM 562 NE2 GLN A 36 -27.513 -19.691 -6.907 1.00 71.11 N ATOM 0 H GLN A 36 -24.220 -17.964 -5.217 1.00 71.22 H new ATOM 0 HA GLN A 36 -26.140 -16.872 -3.335 1.00 25.41 H new ATOM 0 HB2 GLN A 36 -25.888 -19.273 -5.123 1.00 71.14 H new ATOM 0 HB3 GLN A 36 -26.998 -19.355 -3.769 1.00 71.14 H new ATOM 0 HG2 GLN A 36 -28.280 -17.492 -4.580 1.00 43.51 H new ATOM 0 HG3 GLN A 36 -27.058 -17.074 -5.764 1.00 43.51 H new ATOM 0 HE21 GLN A 36 -26.533 -19.816 -6.654 1.00 71.11 H new ATOM 0 HE22 GLN A 36 -27.930 -20.272 -7.635 1.00 71.11 H new ATOM 571 N TRP A 37 -24.000 -19.206 -2.487 1.00 22.23 N ATOM 572 CA TRP A 37 -23.458 -19.933 -1.342 1.00 12.23 C ATOM 573 C TRP A 37 -22.191 -19.269 -0.826 1.00 73.30 C ATOM 574 O TRP A 37 -21.570 -19.751 0.121 1.00 24.35 O ATOM 575 CB TRP A 37 -23.170 -21.393 -1.705 1.00 52.42 C ATOM 576 CG TRP A 37 -24.397 -22.149 -2.108 1.00 42.34 C ATOM 577 CD1 TRP A 37 -25.200 -22.906 -1.303 1.00 31.52 C ATOM 578 CD2 TRP A 37 -24.962 -22.221 -3.418 1.00 13.53 C ATOM 579 NE1 TRP A 37 -26.238 -23.430 -2.032 1.00 62.14 N ATOM 580 CE2 TRP A 37 -26.115 -23.026 -3.335 1.00 22.03 C ATOM 581 CE3 TRP A 37 -24.608 -21.676 -4.652 1.00 43.03 C ATOM 582 CZ2 TRP A 37 -26.912 -23.300 -4.442 1.00 41.13 C ATOM 583 CZ3 TRP A 37 -25.400 -21.952 -5.748 1.00 73.34 C ATOM 584 CH2 TRP A 37 -26.540 -22.754 -5.638 1.00 1.10 C ATOM 0 H TRP A 37 -23.478 -19.330 -3.355 1.00 22.23 H new ATOM 0 HA TRP A 37 -24.210 -19.911 -0.553 1.00 12.23 H new ATOM 0 HB2 TRP A 37 -22.447 -21.423 -2.521 1.00 52.42 H new ATOM 0 HB3 TRP A 37 -22.708 -21.889 -0.852 1.00 52.42 H new ATOM 0 HD1 TRP A 37 -25.041 -23.068 -0.247 1.00 31.52 H new ATOM 0 HE1 TRP A 37 -26.981 -24.024 -1.663 1.00 62.14 H new ATOM 0 HE3 TRP A 37 -23.732 -21.051 -4.748 1.00 43.03 H new ATOM 0 HZ2 TRP A 37 -27.792 -23.921 -4.359 1.00 41.13 H new ATOM 0 HZ3 TRP A 37 -25.134 -21.540 -6.710 1.00 73.34 H new ATOM 0 HH2 TRP A 37 -27.139 -22.946 -6.516 1.00 1.10 H new ATOM 595 N GLY A 38 -21.811 -18.161 -1.444 1.00 12.32 N ATOM 596 CA GLY A 38 -20.622 -17.459 -1.007 1.00 41.13 C ATOM 597 C GLY A 38 -20.341 -16.204 -1.807 1.00 52.32 C ATOM 598 O GLY A 38 -21.020 -15.919 -2.787 1.00 53.23 O ATOM 0 H GLY A 38 -22.299 -17.738 -2.233 1.00 12.32 H new ATOM 0 HA2 GLY A 38 -20.730 -17.195 0.045 1.00 41.13 H new ATOM 0 HA3 GLY A 38 -19.765 -18.129 -1.081 1.00 41.13 H new ATOM 602 N THR A 39 -19.339 -15.460 -1.376 1.00 31.22 N ATOM 603 CA THR A 39 -18.929 -14.234 -2.045 1.00 31.45 C ATOM 604 C THR A 39 -17.807 -14.512 -3.044 1.00 71.23 C ATOM 605 O THR A 39 -16.798 -15.108 -2.680 1.00 11.14 O ATOM 606 CB THR A 39 -18.426 -13.209 -1.009 1.00 30.33 C ATOM 607 OG1 THR A 39 -19.442 -12.960 -0.028 1.00 21.25 O ATOM 608 CG2 THR A 39 -18.016 -11.905 -1.673 1.00 52.30 C ATOM 0 H THR A 39 -18.784 -15.687 -0.551 1.00 31.22 H new ATOM 0 HA THR A 39 -19.794 -13.835 -2.575 1.00 31.45 H new ATOM 0 HB THR A 39 -17.547 -13.630 -0.521 1.00 30.33 H new ATOM 0 HG1 THR A 39 -19.112 -12.309 0.626 1.00 21.25 H new ATOM 0 HG21 THR A 39 -17.666 -11.205 -0.914 1.00 52.30 H new ATOM 0 HG22 THR A 39 -17.215 -12.096 -2.387 1.00 52.30 H new ATOM 0 HG23 THR A 39 -18.872 -11.477 -2.195 1.00 52.30 H new ATOM 616 N LEU A 40 -17.980 -14.097 -4.297 1.00 32.31 N ATOM 617 CA LEU A 40 -16.919 -14.240 -5.289 1.00 64.20 C ATOM 618 C LEU A 40 -16.152 -12.933 -5.433 1.00 12.12 C ATOM 619 O LEU A 40 -16.685 -11.940 -5.929 1.00 23.40 O ATOM 620 CB LEU A 40 -17.494 -14.656 -6.642 1.00 1.40 C ATOM 621 CG LEU A 40 -18.455 -15.831 -6.578 1.00 73.03 C ATOM 622 CD1 LEU A 40 -19.143 -16.042 -7.905 1.00 43.30 C ATOM 623 CD2 LEU A 40 -17.728 -17.082 -6.136 1.00 21.41 C ATOM 0 H LEU A 40 -18.835 -13.664 -4.646 1.00 32.31 H new ATOM 0 HA LEU A 40 -16.237 -15.019 -4.947 1.00 64.20 H new ATOM 0 HB2 LEU A 40 -18.010 -13.803 -7.082 1.00 1.40 H new ATOM 0 HB3 LEU A 40 -16.672 -14.910 -7.311 1.00 1.40 H new ATOM 0 HG LEU A 40 -19.225 -15.605 -5.841 1.00 73.03 H new ATOM 0 HD11 LEU A 40 -19.825 -16.889 -7.831 1.00 43.30 H new ATOM 0 HD12 LEU A 40 -19.705 -15.146 -8.170 1.00 43.30 H new ATOM 0 HD13 LEU A 40 -18.397 -16.243 -8.674 1.00 43.30 H new ATOM 0 HD21 LEU A 40 -18.430 -17.915 -6.095 1.00 21.41 H new ATOM 0 HD22 LEU A 40 -16.934 -17.311 -6.846 1.00 21.41 H new ATOM 0 HD23 LEU A 40 -17.296 -16.922 -5.148 1.00 21.41 H new ATOM 635 N THR A 41 -14.908 -12.940 -4.985 1.00 53.44 N ATOM 636 CA THR A 41 -14.055 -11.770 -5.072 1.00 15.42 C ATOM 637 C THR A 41 -13.419 -11.691 -6.454 1.00 43.21 C ATOM 638 O THR A 41 -12.997 -10.624 -6.908 1.00 65.51 O ATOM 639 CB THR A 41 -12.959 -11.817 -3.991 1.00 31.41 C ATOM 640 OG1 THR A 41 -12.171 -13.005 -4.142 1.00 52.25 O ATOM 641 CG2 THR A 41 -13.578 -11.797 -2.602 1.00 51.10 C ATOM 0 H THR A 41 -14.465 -13.751 -4.554 1.00 53.44 H new ATOM 0 HA THR A 41 -14.666 -10.883 -4.908 1.00 15.42 H new ATOM 0 HB THR A 41 -12.323 -10.940 -4.110 1.00 31.41 H new ATOM 0 HG1 THR A 41 -11.476 -13.026 -3.452 1.00 52.25 H new ATOM 0 HG21 THR A 41 -12.788 -11.831 -1.851 1.00 51.10 H new ATOM 0 HG22 THR A 41 -14.160 -10.884 -2.476 1.00 51.10 H new ATOM 0 HG23 THR A 41 -14.230 -12.662 -2.482 1.00 51.10 H new ATOM 649 N ASP A 42 -13.361 -12.836 -7.119 1.00 43.41 N ATOM 650 CA ASP A 42 -12.840 -12.912 -8.473 1.00 3.14 C ATOM 651 C ASP A 42 -13.658 -13.885 -9.298 1.00 15.32 C ATOM 652 O ASP A 42 -13.530 -15.097 -9.153 1.00 3.12 O ATOM 653 CB ASP A 42 -11.378 -13.354 -8.473 1.00 23.41 C ATOM 654 CG ASP A 42 -10.796 -13.420 -9.870 1.00 51.24 C ATOM 655 OD1 ASP A 42 -10.632 -14.536 -10.404 1.00 53.13 O ATOM 656 OD2 ASP A 42 -10.499 -12.347 -10.439 1.00 5.54 O ATOM 0 H ASP A 42 -13.671 -13.730 -6.738 1.00 43.41 H new ATOM 0 HA ASP A 42 -12.907 -11.916 -8.912 1.00 3.14 H new ATOM 0 HB2 ASP A 42 -10.791 -12.661 -7.870 1.00 23.41 H new ATOM 0 HB3 ASP A 42 -11.297 -14.334 -8.002 1.00 23.41 H new ATOM 661 N CYS A 43 -14.520 -13.358 -10.137 1.00 24.23 N ATOM 662 CA CYS A 43 -15.295 -14.194 -11.026 1.00 64.50 C ATOM 663 C CYS A 43 -14.871 -13.955 -12.467 1.00 52.23 C ATOM 664 O CYS A 43 -14.789 -12.809 -12.919 1.00 64.50 O ATOM 665 CB CYS A 43 -16.793 -13.938 -10.843 1.00 20.42 C ATOM 666 SG CYS A 43 -17.279 -12.199 -10.955 1.00 65.24 S ATOM 0 H CYS A 43 -14.702 -12.358 -10.223 1.00 24.23 H new ATOM 0 HA CYS A 43 -15.105 -15.239 -10.780 1.00 64.50 H new ATOM 0 HB2 CYS A 43 -17.340 -14.504 -11.597 1.00 20.42 H new ATOM 0 HB3 CYS A 43 -17.098 -14.325 -9.871 1.00 20.42 H new ATOM 0 HG CYS A 43 -16.495 -11.582 -11.789 1.00 65.24 H new ATOM 672 N VAL A 44 -14.572 -15.033 -13.173 1.00 3.24 N ATOM 673 CA VAL A 44 -14.108 -14.934 -14.543 1.00 63.34 C ATOM 674 C VAL A 44 -14.504 -16.170 -15.344 1.00 21.15 C ATOM 675 O VAL A 44 -14.312 -17.302 -14.907 1.00 24.02 O ATOM 676 CB VAL A 44 -12.573 -14.731 -14.606 1.00 72.15 C ATOM 677 CG1 VAL A 44 -11.840 -15.820 -13.834 1.00 51.30 C ATOM 678 CG2 VAL A 44 -12.094 -14.681 -16.049 1.00 41.14 C ATOM 0 H VAL A 44 -14.643 -15.987 -12.818 1.00 3.24 H new ATOM 0 HA VAL A 44 -14.588 -14.061 -14.986 1.00 63.34 H new ATOM 0 HB VAL A 44 -12.345 -13.775 -14.135 1.00 72.15 H new ATOM 0 HG11 VAL A 44 -10.765 -15.650 -13.897 1.00 51.30 H new ATOM 0 HG12 VAL A 44 -12.150 -15.797 -12.789 1.00 51.30 H new ATOM 0 HG13 VAL A 44 -12.079 -16.793 -14.262 1.00 51.30 H new ATOM 0 HG21 VAL A 44 -11.014 -14.538 -16.069 1.00 41.14 H new ATOM 0 HG22 VAL A 44 -12.345 -15.617 -16.548 1.00 41.14 H new ATOM 0 HG23 VAL A 44 -12.579 -13.853 -16.565 1.00 41.14 H new ATOM 688 N VAL A 45 -15.076 -15.944 -16.511 1.00 41.31 N ATOM 689 CA VAL A 45 -15.431 -17.025 -17.408 1.00 2.45 C ATOM 690 C VAL A 45 -14.619 -16.919 -18.686 1.00 41.11 C ATOM 691 O VAL A 45 -14.456 -15.829 -19.239 1.00 33.00 O ATOM 692 CB VAL A 45 -16.939 -17.031 -17.737 1.00 51.41 C ATOM 693 CG1 VAL A 45 -17.247 -18.010 -18.860 1.00 11.12 C ATOM 694 CG2 VAL A 45 -17.742 -17.383 -16.498 1.00 73.44 C ATOM 0 H VAL A 45 -15.306 -15.014 -16.861 1.00 41.31 H new ATOM 0 HA VAL A 45 -15.203 -17.964 -16.904 1.00 2.45 H new ATOM 0 HB VAL A 45 -17.220 -16.032 -18.071 1.00 51.41 H new ATOM 0 HG11 VAL A 45 -18.316 -17.995 -19.073 1.00 11.12 H new ATOM 0 HG12 VAL A 45 -16.695 -17.723 -19.755 1.00 11.12 H new ATOM 0 HG13 VAL A 45 -16.951 -19.015 -18.558 1.00 11.12 H new ATOM 0 HG21 VAL A 45 -18.805 -17.384 -16.741 1.00 73.44 H new ATOM 0 HG22 VAL A 45 -17.450 -18.371 -16.144 1.00 73.44 H new ATOM 0 HG23 VAL A 45 -17.549 -16.646 -15.718 1.00 73.44 H new ATOM 704 N MET A 46 -14.099 -18.048 -19.137 1.00 64.44 N ATOM 705 CA MET A 46 -13.266 -18.079 -20.324 1.00 44.32 C ATOM 706 C MET A 46 -14.126 -18.008 -21.567 1.00 52.25 C ATOM 707 O MET A 46 -15.157 -18.677 -21.654 1.00 23.21 O ATOM 708 CB MET A 46 -12.416 -19.347 -20.355 1.00 61.50 C ATOM 709 CG MET A 46 -11.541 -19.512 -19.129 1.00 51.10 C ATOM 710 SD MET A 46 -10.524 -18.062 -18.820 1.00 74.22 S ATOM 711 CE MET A 46 -9.713 -18.559 -17.310 1.00 0.35 C ATOM 0 H MET A 46 -14.240 -18.957 -18.697 1.00 64.44 H new ATOM 0 HA MET A 46 -12.602 -17.215 -20.297 1.00 44.32 H new ATOM 0 HB2 MET A 46 -13.071 -20.213 -20.444 1.00 61.50 H new ATOM 0 HB3 MET A 46 -11.785 -19.332 -21.244 1.00 61.50 H new ATOM 0 HG2 MET A 46 -12.169 -19.705 -18.260 1.00 51.10 H new ATOM 0 HG3 MET A 46 -10.899 -20.383 -19.258 1.00 51.10 H new ATOM 0 HE1 MET A 46 -8.802 -17.976 -17.177 1.00 0.35 H new ATOM 0 HE2 MET A 46 -10.380 -18.387 -16.465 1.00 0.35 H new ATOM 0 HE3 MET A 46 -9.461 -19.618 -17.364 1.00 0.35 H new ATOM 856 N ARG A 55 -16.196 -20.776 -23.032 1.00 3.14 N ATOM 857 CA ARG A 55 -15.374 -21.926 -23.398 1.00 2.14 C ATOM 858 C ARG A 55 -15.862 -23.207 -22.731 1.00 31.01 C ATOM 859 O ARG A 55 -15.202 -24.240 -22.804 1.00 23.24 O ATOM 860 CB ARG A 55 -13.919 -21.665 -23.006 1.00 14.12 C ATOM 861 CG ARG A 55 -13.213 -20.655 -23.900 1.00 52.52 C ATOM 862 CD ARG A 55 -12.971 -21.197 -25.302 1.00 61.42 C ATOM 863 NE ARG A 55 -11.938 -22.233 -25.315 1.00 14.24 N ATOM 864 CZ ARG A 55 -11.369 -22.715 -26.421 1.00 2.02 C ATOM 865 NH1 ARG A 55 -11.726 -22.262 -27.619 1.00 62.43 N ATOM 866 NH2 ARG A 55 -10.437 -23.655 -26.327 1.00 1.20 N ATOM 0 HA ARG A 55 -15.452 -22.061 -24.477 1.00 2.14 H new ATOM 0 HB2 ARG A 55 -13.888 -21.309 -21.976 1.00 14.12 H new ATOM 0 HB3 ARG A 55 -13.371 -22.607 -23.034 1.00 14.12 H new ATOM 0 HG2 ARG A 55 -13.812 -19.746 -23.962 1.00 52.52 H new ATOM 0 HG3 ARG A 55 -12.260 -20.378 -23.450 1.00 52.52 H new ATOM 0 HD2 ARG A 55 -13.900 -21.606 -25.699 1.00 61.42 H new ATOM 0 HD3 ARG A 55 -12.675 -20.381 -25.961 1.00 61.42 H new ATOM 0 HE ARG A 55 -11.633 -22.612 -24.419 1.00 14.24 H new ATOM 0 HH11 ARG A 55 -12.441 -21.539 -27.699 1.00 62.43 H new ATOM 0 HH12 ARG A 55 -11.285 -22.637 -28.458 1.00 62.43 H new ATOM 0 HH21 ARG A 55 -10.158 -24.007 -25.411 1.00 1.20 H new ATOM 0 HH22 ARG A 55 -10.000 -24.026 -27.171 1.00 1.20 H new ATOM 880 N GLY A 56 -17.012 -23.138 -22.078 1.00 53.43 N ATOM 881 CA GLY A 56 -17.565 -24.313 -21.432 1.00 33.32 C ATOM 882 C GLY A 56 -17.071 -24.482 -20.010 1.00 22.40 C ATOM 883 O GLY A 56 -17.362 -25.489 -19.357 1.00 22.22 O ATOM 0 H GLY A 56 -17.573 -22.291 -21.983 1.00 53.43 H new ATOM 0 HA2 GLY A 56 -18.653 -24.244 -21.429 1.00 33.32 H new ATOM 0 HA3 GLY A 56 -17.304 -25.199 -22.011 1.00 33.32 H new ATOM 887 N PHE A 57 -16.323 -23.493 -19.528 1.00 31.01 N ATOM 888 CA PHE A 57 -15.840 -23.496 -18.151 1.00 15.00 C ATOM 889 C PHE A 57 -15.484 -22.087 -17.685 1.00 55.43 C ATOM 890 O PHE A 57 -15.299 -21.175 -18.499 1.00 52.31 O ATOM 891 CB PHE A 57 -14.638 -24.443 -17.974 1.00 52.12 C ATOM 892 CG PHE A 57 -13.529 -24.248 -18.967 1.00 44.03 C ATOM 893 CD1 PHE A 57 -12.689 -23.149 -18.896 1.00 32.41 C ATOM 894 CD2 PHE A 57 -13.328 -25.176 -19.970 1.00 21.31 C ATOM 895 CE1 PHE A 57 -11.673 -22.976 -19.816 1.00 72.11 C ATOM 896 CE2 PHE A 57 -12.313 -25.011 -20.893 1.00 71.25 C ATOM 897 CZ PHE A 57 -11.487 -23.907 -20.819 1.00 12.42 C ATOM 0 H PHE A 57 -16.038 -22.678 -20.072 1.00 31.01 H new ATOM 0 HA PHE A 57 -16.654 -23.866 -17.527 1.00 15.00 H new ATOM 0 HB2 PHE A 57 -14.235 -24.311 -16.970 1.00 52.12 H new ATOM 0 HB3 PHE A 57 -14.991 -25.472 -18.043 1.00 52.12 H new ATOM 0 HD1 PHE A 57 -12.830 -22.419 -18.113 1.00 32.41 H new ATOM 0 HD2 PHE A 57 -13.972 -26.041 -20.034 1.00 21.31 H new ATOM 0 HE1 PHE A 57 -11.025 -22.114 -19.751 1.00 72.11 H new ATOM 0 HE2 PHE A 57 -12.166 -25.745 -21.672 1.00 71.25 H new ATOM 0 HZ PHE A 57 -10.698 -23.772 -21.544 1.00 12.42 H new ATOM 907 N GLY A 58 -15.409 -21.922 -16.373 1.00 0.44 N ATOM 908 CA GLY A 58 -15.073 -20.641 -15.786 1.00 0.03 C ATOM 909 C GLY A 58 -14.500 -20.803 -14.393 1.00 72.03 C ATOM 910 O GLY A 58 -14.355 -21.926 -13.909 1.00 22.34 O ATOM 0 H GLY A 58 -15.578 -22.665 -15.695 1.00 0.44 H new ATOM 0 HA2 GLY A 58 -14.351 -20.127 -16.420 1.00 0.03 H new ATOM 0 HA3 GLY A 58 -15.964 -20.014 -15.744 1.00 0.03 H new ATOM 914 N PHE A 59 -14.174 -19.692 -13.747 1.00 33.33 N ATOM 915 CA PHE A 59 -13.587 -19.722 -12.415 1.00 72.21 C ATOM 916 C PHE A 59 -14.253 -18.705 -11.497 1.00 70.33 C ATOM 917 O PHE A 59 -14.696 -17.643 -11.940 1.00 65.13 O ATOM 918 CB PHE A 59 -12.088 -19.433 -12.476 1.00 11.34 C ATOM 919 CG PHE A 59 -11.290 -20.459 -13.224 1.00 4.53 C ATOM 920 CD1 PHE A 59 -10.820 -21.590 -12.579 1.00 53.32 C ATOM 921 CD2 PHE A 59 -10.999 -20.289 -14.567 1.00 75.44 C ATOM 922 CE1 PHE A 59 -10.075 -22.529 -13.259 1.00 24.34 C ATOM 923 CE2 PHE A 59 -10.256 -21.228 -15.253 1.00 33.35 C ATOM 924 CZ PHE A 59 -9.793 -22.349 -14.599 1.00 11.33 C ATOM 0 H PHE A 59 -14.307 -18.755 -14.126 1.00 33.33 H new ATOM 0 HA PHE A 59 -13.748 -20.723 -12.013 1.00 72.21 H new ATOM 0 HB2 PHE A 59 -11.936 -18.460 -12.944 1.00 11.34 H new ATOM 0 HB3 PHE A 59 -11.702 -19.361 -11.459 1.00 11.34 H new ATOM 0 HD1 PHE A 59 -11.039 -21.738 -11.532 1.00 53.32 H new ATOM 0 HD2 PHE A 59 -11.358 -19.411 -15.084 1.00 75.44 H new ATOM 0 HE1 PHE A 59 -9.712 -23.406 -12.744 1.00 24.34 H new ATOM 0 HE2 PHE A 59 -10.038 -21.084 -16.301 1.00 33.35 H new ATOM 0 HZ PHE A 59 -9.211 -23.085 -15.133 1.00 11.33 H new ATOM 934 N VAL A 60 -14.301 -19.040 -10.219 1.00 55.45 N ATOM 935 CA VAL A 60 -14.901 -18.186 -9.201 1.00 0.43 C ATOM 936 C VAL A 60 -14.134 -18.274 -7.891 1.00 1.10 C ATOM 937 O VAL A 60 -14.122 -19.309 -7.232 1.00 73.10 O ATOM 938 CB VAL A 60 -16.380 -18.532 -8.973 1.00 4.51 C ATOM 939 CG1 VAL A 60 -17.234 -17.758 -9.950 1.00 2.21 C ATOM 940 CG2 VAL A 60 -16.629 -20.023 -9.109 1.00 71.41 C ATOM 0 H VAL A 60 -13.924 -19.915 -9.854 1.00 55.45 H new ATOM 0 HA VAL A 60 -14.846 -17.161 -9.569 1.00 0.43 H new ATOM 0 HB VAL A 60 -16.649 -18.250 -7.955 1.00 4.51 H new ATOM 0 HG11 VAL A 60 -18.284 -18.003 -9.789 1.00 2.21 H new ATOM 0 HG12 VAL A 60 -17.083 -16.689 -9.798 1.00 2.21 H new ATOM 0 HG13 VAL A 60 -16.952 -18.023 -10.969 1.00 2.21 H new ATOM 0 HG21 VAL A 60 -17.686 -20.232 -8.941 1.00 71.41 H new ATOM 0 HG22 VAL A 60 -16.349 -20.349 -10.111 1.00 71.41 H new ATOM 0 HG23 VAL A 60 -16.032 -20.560 -8.373 1.00 71.41 H new ATOM 950 N THR A 61 -13.475 -17.185 -7.538 1.00 11.42 N ATOM 951 CA THR A 61 -12.708 -17.120 -6.309 1.00 53.50 C ATOM 952 C THR A 61 -13.592 -16.607 -5.193 1.00 44.23 C ATOM 953 O THR A 61 -14.065 -15.474 -5.243 1.00 61.53 O ATOM 954 CB THR A 61 -11.486 -16.186 -6.439 1.00 12.43 C ATOM 955 OG1 THR A 61 -10.707 -16.535 -7.591 1.00 74.50 O ATOM 956 CG2 THR A 61 -10.611 -16.262 -5.196 1.00 0.33 C ATOM 0 H THR A 61 -13.457 -16.328 -8.091 1.00 11.42 H new ATOM 0 HA THR A 61 -12.349 -18.126 -6.092 1.00 53.50 H new ATOM 0 HB THR A 61 -11.856 -15.167 -6.550 1.00 12.43 H new ATOM 0 HG1 THR A 61 -10.008 -17.172 -7.333 1.00 74.50 H new ATOM 0 HG21 THR A 61 -9.756 -15.595 -5.311 1.00 0.33 H new ATOM 0 HG22 THR A 61 -11.191 -15.961 -4.324 1.00 0.33 H new ATOM 0 HG23 THR A 61 -10.258 -17.284 -5.062 1.00 0.33 H new ATOM 964 N TYR A 62 -13.835 -17.441 -4.206 1.00 32.24 N ATOM 965 CA TYR A 62 -14.655 -17.048 -3.082 1.00 72.14 C ATOM 966 C TYR A 62 -13.839 -16.253 -2.071 1.00 64.24 C ATOM 967 O TYR A 62 -12.606 -16.265 -2.098 1.00 22.15 O ATOM 968 CB TYR A 62 -15.278 -18.268 -2.413 1.00 72.32 C ATOM 969 CG TYR A 62 -16.428 -18.885 -3.185 1.00 22.54 C ATOM 970 CD1 TYR A 62 -17.739 -18.536 -2.892 1.00 75.13 C ATOM 971 CD2 TYR A 62 -16.207 -19.822 -4.186 1.00 52.41 C ATOM 972 CE1 TYR A 62 -18.801 -19.105 -3.574 1.00 30.34 C ATOM 973 CE2 TYR A 62 -17.264 -20.390 -4.875 1.00 34.55 C ATOM 974 CZ TYR A 62 -18.557 -20.028 -4.562 1.00 41.33 C ATOM 975 OH TYR A 62 -19.613 -20.587 -5.241 1.00 24.05 O ATOM 0 H TYR A 62 -13.477 -18.395 -4.159 1.00 32.24 H new ATOM 0 HA TYR A 62 -15.457 -16.412 -3.458 1.00 72.14 H new ATOM 0 HB2 TYR A 62 -14.505 -19.023 -2.270 1.00 72.32 H new ATOM 0 HB3 TYR A 62 -15.632 -17.983 -1.422 1.00 72.32 H new ATOM 0 HD1 TYR A 62 -17.934 -17.808 -2.119 1.00 75.13 H new ATOM 0 HD2 TYR A 62 -15.196 -20.111 -4.430 1.00 52.41 H new ATOM 0 HE1 TYR A 62 -19.815 -18.825 -3.331 1.00 30.34 H new ATOM 0 HE2 TYR A 62 -17.077 -21.114 -5.655 1.00 34.55 H new ATOM 0 HH TYR A 62 -20.366 -19.960 -5.249 1.00 24.05 H new ATOM 985 N ALA A 63 -14.541 -15.567 -1.177 1.00 74.32 N ATOM 986 CA ALA A 63 -13.901 -14.729 -0.170 1.00 55.31 C ATOM 987 C ALA A 63 -13.084 -15.575 0.798 1.00 3.43 C ATOM 988 O ALA A 63 -12.123 -15.102 1.407 1.00 70.23 O ATOM 989 CB ALA A 63 -14.948 -13.919 0.580 1.00 63.41 C ATOM 0 H ALA A 63 -15.560 -15.575 -1.129 1.00 74.32 H new ATOM 0 HA ALA A 63 -13.221 -14.041 -0.674 1.00 55.31 H new ATOM 0 HB1 ALA A 63 -14.459 -13.297 1.329 1.00 63.41 H new ATOM 0 HB2 ALA A 63 -15.488 -13.284 -0.122 1.00 63.41 H new ATOM 0 HB3 ALA A 63 -15.648 -14.595 1.071 1.00 63.41 H new ATOM 995 N THR A 64 -13.473 -16.833 0.920 1.00 13.30 N ATOM 996 CA THR A 64 -12.798 -17.773 1.793 1.00 45.45 C ATOM 997 C THR A 64 -13.128 -19.201 1.370 1.00 4.14 C ATOM 998 O THR A 64 -14.084 -19.430 0.625 1.00 42.24 O ATOM 999 CB THR A 64 -13.191 -17.550 3.275 1.00 24.12 C ATOM 1000 OG1 THR A 64 -12.660 -18.593 4.100 1.00 62.23 O ATOM 1001 CG2 THR A 64 -14.699 -17.495 3.444 1.00 74.44 C ATOM 0 H THR A 64 -14.266 -17.230 0.416 1.00 13.30 H new ATOM 0 HA THR A 64 -11.724 -17.608 1.705 1.00 45.45 H new ATOM 0 HB THR A 64 -12.769 -16.593 3.583 1.00 24.12 H new ATOM 0 HG1 THR A 64 -12.917 -18.435 5.033 1.00 62.23 H new ATOM 0 HG21 THR A 64 -14.942 -17.338 4.495 1.00 74.44 H new ATOM 0 HG22 THR A 64 -15.102 -16.674 2.852 1.00 74.44 H new ATOM 0 HG23 THR A 64 -15.137 -18.434 3.107 1.00 74.44 H new ATOM 1009 N VAL A 65 -12.330 -20.147 1.841 1.00 42.14 N ATOM 1010 CA VAL A 65 -12.525 -21.558 1.540 1.00 53.34 C ATOM 1011 C VAL A 65 -13.878 -22.056 2.062 1.00 23.11 C ATOM 1012 O VAL A 65 -14.478 -22.969 1.493 1.00 40.30 O ATOM 1013 CB VAL A 65 -11.379 -22.402 2.145 1.00 60.10 C ATOM 1014 CG1 VAL A 65 -11.269 -22.175 3.646 1.00 24.21 C ATOM 1015 CG2 VAL A 65 -11.573 -23.876 1.838 1.00 53.31 C ATOM 0 H VAL A 65 -11.528 -19.959 2.443 1.00 42.14 H new ATOM 0 HA VAL A 65 -12.516 -21.672 0.456 1.00 53.34 H new ATOM 0 HB VAL A 65 -10.445 -22.078 1.685 1.00 60.10 H new ATOM 0 HG11 VAL A 65 -10.456 -22.780 4.047 1.00 24.21 H new ATOM 0 HG12 VAL A 65 -11.068 -21.122 3.841 1.00 24.21 H new ATOM 0 HG13 VAL A 65 -12.205 -22.461 4.127 1.00 24.21 H new ATOM 0 HG21 VAL A 65 -10.755 -24.449 2.274 1.00 53.31 H new ATOM 0 HG22 VAL A 65 -12.519 -24.214 2.261 1.00 53.31 H new ATOM 0 HG23 VAL A 65 -11.585 -24.024 0.758 1.00 53.31 H new ATOM 1025 N GLU A 66 -14.361 -21.426 3.128 1.00 74.44 N ATOM 1026 CA GLU A 66 -15.635 -21.795 3.738 1.00 11.45 C ATOM 1027 C GLU A 66 -16.789 -21.607 2.757 1.00 45.00 C ATOM 1028 O GLU A 66 -17.753 -22.374 2.756 1.00 21.04 O ATOM 1029 CB GLU A 66 -15.870 -20.960 4.994 1.00 24.03 C ATOM 1030 CG GLU A 66 -14.803 -21.162 6.057 1.00 3.41 C ATOM 1031 CD GLU A 66 -14.790 -22.574 6.602 1.00 72.13 C ATOM 1032 OE1 GLU A 66 -15.433 -22.815 7.645 1.00 5.30 O ATOM 1033 OE2 GLU A 66 -14.144 -23.452 5.993 1.00 11.30 O ATOM 0 H GLU A 66 -13.885 -20.651 3.591 1.00 74.44 H new ATOM 0 HA GLU A 66 -15.592 -22.850 4.010 1.00 11.45 H new ATOM 0 HB2 GLU A 66 -15.905 -19.906 4.720 1.00 24.03 H new ATOM 0 HB3 GLU A 66 -16.844 -21.213 5.413 1.00 24.03 H new ATOM 0 HG2 GLU A 66 -13.825 -20.930 5.635 1.00 3.41 H new ATOM 0 HG3 GLU A 66 -14.972 -20.462 6.875 1.00 3.41 H new ATOM 1040 N GLU A 67 -16.671 -20.590 1.915 1.00 42.15 N ATOM 1041 CA GLU A 67 -17.669 -20.315 0.890 1.00 22.42 C ATOM 1042 C GLU A 67 -17.635 -21.410 -0.173 1.00 33.33 C ATOM 1043 O GLU A 67 -18.670 -21.846 -0.679 1.00 32.21 O ATOM 1044 CB GLU A 67 -17.372 -18.973 0.232 1.00 30.51 C ATOM 1045 CG GLU A 67 -17.154 -17.825 1.200 1.00 11.14 C ATOM 1046 CD GLU A 67 -18.440 -17.268 1.758 1.00 51.15 C ATOM 1047 OE1 GLU A 67 -18.901 -16.228 1.250 1.00 32.10 O ATOM 1048 OE2 GLU A 67 -18.989 -17.854 2.709 1.00 32.11 O ATOM 0 H GLU A 67 -15.888 -19.937 1.922 1.00 42.15 H new ATOM 0 HA GLU A 67 -18.655 -20.287 1.354 1.00 22.42 H new ATOM 0 HB2 GLU A 67 -16.484 -19.078 -0.391 1.00 30.51 H new ATOM 0 HB3 GLU A 67 -18.199 -18.719 -0.431 1.00 30.51 H new ATOM 0 HG2 GLU A 67 -16.526 -18.166 2.023 1.00 11.14 H new ATOM 0 HG3 GLU A 67 -16.610 -17.028 0.693 1.00 11.14 H new ATOM 1055 N VAL A 68 -16.421 -21.847 -0.496 1.00 12.14 N ATOM 1056 CA VAL A 68 -16.200 -22.884 -1.497 1.00 21.23 C ATOM 1057 C VAL A 68 -16.882 -24.189 -1.099 1.00 12.10 C ATOM 1058 O VAL A 68 -17.540 -24.830 -1.921 1.00 22.04 O ATOM 1059 CB VAL A 68 -14.686 -23.127 -1.710 1.00 61.24 C ATOM 1060 CG1 VAL A 68 -14.430 -24.424 -2.466 1.00 42.25 C ATOM 1061 CG2 VAL A 68 -14.063 -21.957 -2.454 1.00 61.35 C ATOM 0 H VAL A 68 -15.564 -21.492 -0.071 1.00 12.14 H new ATOM 0 HA VAL A 68 -16.638 -22.536 -2.432 1.00 21.23 H new ATOM 0 HB VAL A 68 -14.223 -23.214 -0.727 1.00 61.24 H new ATOM 0 HG11 VAL A 68 -13.357 -24.563 -2.598 1.00 42.25 H new ATOM 0 HG12 VAL A 68 -14.837 -25.262 -1.900 1.00 42.25 H new ATOM 0 HG13 VAL A 68 -14.912 -24.377 -3.442 1.00 42.25 H new ATOM 0 HG21 VAL A 68 -12.998 -22.142 -2.597 1.00 61.35 H new ATOM 0 HG22 VAL A 68 -14.545 -21.845 -3.425 1.00 61.35 H new ATOM 0 HG23 VAL A 68 -14.198 -21.044 -1.875 1.00 61.35 H new ATOM 1071 N ASP A 69 -16.734 -24.567 0.166 1.00 52.34 N ATOM 1072 CA ASP A 69 -17.345 -25.792 0.671 1.00 52.32 C ATOM 1073 C ASP A 69 -18.856 -25.748 0.484 1.00 65.52 C ATOM 1074 O ASP A 69 -19.446 -26.702 -0.017 1.00 31.03 O ATOM 1075 CB ASP A 69 -17.003 -26.006 2.146 1.00 31.24 C ATOM 1076 CG ASP A 69 -17.381 -27.395 2.620 1.00 43.15 C ATOM 1077 OD1 ASP A 69 -16.713 -28.368 2.209 1.00 72.25 O ATOM 1078 OD2 ASP A 69 -18.341 -27.528 3.407 1.00 41.53 O ATOM 0 H ASP A 69 -16.198 -24.045 0.859 1.00 52.34 H new ATOM 0 HA ASP A 69 -16.943 -26.630 0.101 1.00 52.32 H new ATOM 0 HB2 ASP A 69 -15.935 -25.849 2.297 1.00 31.24 H new ATOM 0 HB3 ASP A 69 -17.523 -25.263 2.750 1.00 31.24 H new ATOM 1083 N ALA A 70 -19.467 -24.621 0.841 1.00 31.24 N ATOM 1084 CA ALA A 70 -20.911 -24.456 0.711 1.00 44.14 C ATOM 1085 C ALA A 70 -21.357 -24.647 -0.735 1.00 60.33 C ATOM 1086 O ALA A 70 -22.384 -25.276 -0.999 1.00 74.12 O ATOM 1087 CB ALA A 70 -21.337 -23.086 1.218 1.00 54.41 C ATOM 0 H ALA A 70 -18.983 -23.808 1.223 1.00 31.24 H new ATOM 0 HA ALA A 70 -21.393 -25.221 1.319 1.00 44.14 H new ATOM 0 HB1 ALA A 70 -22.417 -22.979 1.114 1.00 54.41 H new ATOM 0 HB2 ALA A 70 -21.062 -22.985 2.268 1.00 54.41 H new ATOM 0 HB3 ALA A 70 -20.838 -22.311 0.636 1.00 54.41 H new ATOM 1093 N ALA A 71 -20.574 -24.115 -1.664 1.00 13.02 N ATOM 1094 CA ALA A 71 -20.869 -24.254 -3.084 1.00 3.21 C ATOM 1095 C ALA A 71 -20.745 -25.707 -3.529 1.00 55.12 C ATOM 1096 O ALA A 71 -21.570 -26.203 -4.296 1.00 33.03 O ATOM 1097 CB ALA A 71 -19.943 -23.372 -3.903 1.00 25.23 C ATOM 0 H ALA A 71 -19.728 -23.582 -1.459 1.00 13.02 H new ATOM 0 HA ALA A 71 -21.898 -23.935 -3.249 1.00 3.21 H new ATOM 0 HB1 ALA A 71 -20.175 -23.486 -4.962 1.00 25.23 H new ATOM 0 HB2 ALA A 71 -20.080 -22.331 -3.611 1.00 25.23 H new ATOM 0 HB3 ALA A 71 -18.909 -23.666 -3.724 1.00 25.23 H new ATOM 1103 N MET A 72 -19.722 -26.392 -3.029 1.00 42.44 N ATOM 1104 CA MET A 72 -19.501 -27.794 -3.375 1.00 13.34 C ATOM 1105 C MET A 72 -20.616 -28.670 -2.812 1.00 72.44 C ATOM 1106 O MET A 72 -21.040 -29.635 -3.446 1.00 64.33 O ATOM 1107 CB MET A 72 -18.155 -28.295 -2.843 1.00 33.20 C ATOM 1108 CG MET A 72 -16.936 -27.616 -3.448 1.00 33.25 C ATOM 1109 SD MET A 72 -15.404 -28.455 -2.999 1.00 63.15 S ATOM 1110 CE MET A 72 -14.235 -27.610 -4.053 1.00 72.20 C ATOM 0 H MET A 72 -19.034 -26.002 -2.385 1.00 42.44 H new ATOM 0 HA MET A 72 -19.497 -27.861 -4.463 1.00 13.34 H new ATOM 0 HB2 MET A 72 -18.133 -28.154 -1.762 1.00 33.20 H new ATOM 0 HB3 MET A 72 -18.084 -29.367 -3.026 1.00 33.20 H new ATOM 0 HG2 MET A 72 -17.034 -27.596 -4.533 1.00 33.25 H new ATOM 0 HG3 MET A 72 -16.894 -26.580 -3.112 1.00 33.25 H new ATOM 0 HE1 MET A 72 -13.362 -28.244 -4.209 1.00 72.20 H new ATOM 0 HE2 MET A 72 -14.702 -27.393 -5.013 1.00 72.20 H new ATOM 0 HE3 MET A 72 -13.927 -26.678 -3.580 1.00 72.20 H new ATOM 1120 N ASN A 73 -21.084 -28.325 -1.616 1.00 75.20 N ATOM 1121 CA ASN A 73 -22.145 -29.079 -0.947 1.00 33.20 C ATOM 1122 C ASN A 73 -23.471 -28.907 -1.670 1.00 1.22 C ATOM 1123 O ASN A 73 -24.401 -29.693 -1.489 1.00 61.24 O ATOM 1124 CB ASN A 73 -22.292 -28.620 0.507 1.00 54.25 C ATOM 1125 CG ASN A 73 -21.033 -28.846 1.315 1.00 31.31 C ATOM 1126 OD1 ASN A 73 -20.324 -29.832 1.117 1.00 53.02 O ATOM 1127 ND2 ASN A 73 -20.733 -27.921 2.215 1.00 30.21 N ATOM 0 H ASN A 73 -20.744 -27.523 -1.086 1.00 75.20 H new ATOM 0 HA ASN A 73 -21.869 -30.133 -0.966 1.00 33.20 H new ATOM 0 HB2 ASN A 73 -22.547 -27.560 0.526 1.00 54.25 H new ATOM 0 HB3 ASN A 73 -23.120 -29.156 0.972 1.00 54.25 H new ATOM 0 HD21 ASN A 73 -19.886 -28.011 2.776 1.00 30.21 H new ATOM 0 HD22 ASN A 73 -21.349 -27.119 2.347 1.00 30.21 H new ATOM 1134 N ALA A 74 -23.539 -27.888 -2.508 1.00 14.42 N ATOM 1135 CA ALA A 74 -24.759 -27.556 -3.218 1.00 71.30 C ATOM 1136 C ALA A 74 -24.868 -28.332 -4.529 1.00 41.34 C ATOM 1137 O ALA A 74 -25.564 -27.909 -5.454 1.00 21.54 O ATOM 1138 CB ALA A 74 -24.799 -26.061 -3.475 1.00 5.23 C ATOM 0 H ALA A 74 -22.754 -27.271 -2.714 1.00 14.42 H new ATOM 0 HA ALA A 74 -25.611 -27.841 -2.601 1.00 71.30 H new ATOM 0 HB1 ALA A 74 -25.715 -25.808 -4.009 1.00 5.23 H new ATOM 0 HB2 ALA A 74 -24.774 -25.528 -2.525 1.00 5.23 H new ATOM 0 HB3 ALA A 74 -23.937 -25.772 -4.076 1.00 5.23 H new ATOM 1144 N ARG A 75 -24.190 -29.473 -4.601 1.00 71.12 N ATOM 1145 CA ARG A 75 -24.233 -30.312 -5.792 1.00 51.32 C ATOM 1146 C ARG A 75 -25.594 -31.004 -5.903 1.00 43.33 C ATOM 1147 O ARG A 75 -26.219 -31.317 -4.886 1.00 2.25 O ATOM 1148 CB ARG A 75 -23.099 -31.356 -5.774 1.00 51.25 C ATOM 1149 CG ARG A 75 -23.411 -32.642 -5.006 1.00 50.41 C ATOM 1150 CD ARG A 75 -23.507 -32.424 -3.501 1.00 12.14 C ATOM 1151 NE ARG A 75 -22.215 -32.110 -2.898 1.00 5.13 N ATOM 1152 CZ ARG A 75 -21.904 -32.360 -1.624 1.00 31.21 C ATOM 1153 NH1 ARG A 75 -22.784 -32.930 -0.811 1.00 1.50 N ATOM 1154 NH2 ARG A 75 -20.706 -32.041 -1.159 1.00 43.31 N ATOM 0 H ARG A 75 -23.605 -29.837 -3.849 1.00 71.12 H new ATOM 0 HA ARG A 75 -24.090 -29.674 -6.664 1.00 51.32 H new ATOM 0 HB2 ARG A 75 -22.851 -31.617 -6.803 1.00 51.25 H new ATOM 0 HB3 ARG A 75 -22.211 -30.898 -5.338 1.00 51.25 H new ATOM 0 HG2 ARG A 75 -24.351 -33.057 -5.369 1.00 50.41 H new ATOM 0 HG3 ARG A 75 -22.636 -33.380 -5.213 1.00 50.41 H new ATOM 0 HD2 ARG A 75 -24.206 -31.612 -3.299 1.00 12.14 H new ATOM 0 HD3 ARG A 75 -23.915 -33.320 -3.033 1.00 12.14 H new ATOM 0 HE ARG A 75 -21.506 -31.673 -3.487 1.00 5.13 H new ATOM 0 HH11 ARG A 75 -23.710 -33.182 -1.157 1.00 1.50 H new ATOM 0 HH12 ARG A 75 -22.535 -33.116 0.160 1.00 1.50 H new ATOM 0 HH21 ARG A 75 -20.020 -31.604 -1.774 1.00 43.31 H new ATOM 0 HH22 ARG A 75 -20.469 -32.232 -0.185 1.00 43.31 H new ATOM 1168 N PRO A 76 -26.088 -31.228 -7.130 1.00 0.02 N ATOM 1169 CA PRO A 76 -25.432 -30.795 -8.357 1.00 1.45 C ATOM 1170 C PRO A 76 -25.721 -29.331 -8.655 1.00 62.15 C ATOM 1171 O PRO A 76 -26.875 -28.891 -8.620 1.00 3.11 O ATOM 1172 CB PRO A 76 -26.044 -31.693 -9.445 1.00 42.05 C ATOM 1173 CG PRO A 76 -27.024 -32.586 -8.744 1.00 11.31 C ATOM 1174 CD PRO A 76 -27.329 -31.938 -7.426 1.00 50.22 C ATOM 0 HA PRO A 76 -24.347 -30.880 -8.293 1.00 1.45 H new ATOM 0 HB2 PRO A 76 -26.539 -31.096 -10.210 1.00 42.05 H new ATOM 0 HB3 PRO A 76 -25.273 -32.278 -9.947 1.00 42.05 H new ATOM 0 HG2 PRO A 76 -27.931 -32.705 -9.336 1.00 11.31 H new ATOM 0 HG3 PRO A 76 -26.605 -33.582 -8.598 1.00 11.31 H new ATOM 0 HD2 PRO A 76 -28.179 -31.259 -7.494 1.00 50.22 H new ATOM 0 HD3 PRO A 76 -27.569 -32.673 -6.658 1.00 50.22 H new ATOM 1182 N HIS A 77 -24.673 -28.578 -8.929 1.00 13.44 N ATOM 1183 CA HIS A 77 -24.806 -27.155 -9.189 1.00 42.20 C ATOM 1184 C HIS A 77 -25.545 -26.922 -10.505 1.00 63.02 C ATOM 1185 O HIS A 77 -25.475 -27.744 -11.422 1.00 0.52 O ATOM 1186 CB HIS A 77 -23.438 -26.478 -9.223 1.00 2.53 C ATOM 1187 CG HIS A 77 -23.481 -25.055 -8.768 1.00 4.30 C ATOM 1188 ND1 HIS A 77 -24.073 -24.075 -9.529 1.00 34.54 N ATOM 1189 CD2 HIS A 77 -23.021 -24.508 -7.619 1.00 74.13 C ATOM 1190 CE1 HIS A 77 -23.964 -22.961 -8.831 1.00 23.32 C ATOM 1191 NE2 HIS A 77 -23.332 -23.174 -7.667 1.00 74.45 N ATOM 0 H HIS A 77 -23.716 -28.928 -8.978 1.00 13.44 H new ATOM 0 HA HIS A 77 -25.385 -26.714 -8.378 1.00 42.20 H new ATOM 0 HB2 HIS A 77 -22.747 -27.035 -8.591 1.00 2.53 H new ATOM 0 HB3 HIS A 77 -23.044 -26.518 -10.238 1.00 2.53 H new ATOM 0 HD2 HIS A 77 -22.508 -25.022 -6.820 1.00 74.13 H new ATOM 0 HE1 HIS A 77 -24.336 -22.000 -9.155 1.00 23.32 H new ATOM 0 HE2 HIS A 77 -23.123 -22.476 -6.953 1.00 74.45 H new ATOM 1199 N LYS A 78 -26.236 -25.797 -10.594 1.00 20.34 N ATOM 1200 CA LYS A 78 -27.081 -25.506 -11.738 1.00 73.41 C ATOM 1201 C LYS A 78 -26.980 -24.030 -12.111 1.00 2.10 C ATOM 1202 O LYS A 78 -27.559 -23.166 -11.449 1.00 63.04 O ATOM 1203 CB LYS A 78 -28.538 -25.870 -11.429 1.00 45.31 C ATOM 1204 CG LYS A 78 -29.493 -25.619 -12.586 1.00 14.55 C ATOM 1205 CD LYS A 78 -29.315 -26.639 -13.696 1.00 61.25 C ATOM 1206 CE LYS A 78 -30.048 -27.935 -13.393 1.00 53.44 C ATOM 1207 NZ LYS A 78 -31.521 -27.739 -13.323 1.00 1.21 N ATOM 0 H LYS A 78 -26.227 -25.067 -9.882 1.00 20.34 H new ATOM 0 HA LYS A 78 -26.739 -26.106 -12.582 1.00 73.41 H new ATOM 0 HB2 LYS A 78 -28.588 -26.923 -11.151 1.00 45.31 H new ATOM 0 HB3 LYS A 78 -28.871 -25.295 -10.565 1.00 45.31 H new ATOM 0 HG2 LYS A 78 -30.520 -25.652 -12.223 1.00 14.55 H new ATOM 0 HG3 LYS A 78 -29.328 -24.617 -12.983 1.00 14.55 H new ATOM 0 HD2 LYS A 78 -29.683 -26.224 -14.634 1.00 61.25 H new ATOM 0 HD3 LYS A 78 -28.254 -26.845 -13.834 1.00 61.25 H new ATOM 0 HE2 LYS A 78 -29.816 -28.671 -14.163 1.00 53.44 H new ATOM 0 HE3 LYS A 78 -29.691 -28.341 -12.446 1.00 53.44 H new ATOM 0 HZ1 LYS A 78 -32.001 -28.640 -13.522 1.00 1.21 H new ATOM 0 HZ2 LYS A 78 -31.783 -27.410 -12.372 1.00 1.21 H new ATOM 0 HZ3 LYS A 78 -31.811 -27.030 -14.027 1.00 1.21 H new ATOM 1221 N VAL A 79 -26.242 -23.750 -13.171 1.00 24.22 N ATOM 1222 CA VAL A 79 -26.079 -22.390 -13.662 1.00 44.10 C ATOM 1223 C VAL A 79 -26.443 -22.325 -15.143 1.00 13.33 C ATOM 1224 O VAL A 79 -25.992 -23.157 -15.930 1.00 13.13 O ATOM 1225 CB VAL A 79 -24.639 -21.867 -13.421 1.00 75.43 C ATOM 1226 CG1 VAL A 79 -23.611 -22.935 -13.739 1.00 72.10 C ATOM 1227 CG2 VAL A 79 -24.369 -20.604 -14.228 1.00 70.03 C ATOM 0 H VAL A 79 -25.741 -24.453 -13.714 1.00 24.22 H new ATOM 0 HA VAL A 79 -26.755 -21.742 -13.104 1.00 44.10 H new ATOM 0 HB VAL A 79 -24.553 -21.616 -12.364 1.00 75.43 H new ATOM 0 HG11 VAL A 79 -22.610 -22.541 -13.561 1.00 72.10 H new ATOM 0 HG12 VAL A 79 -23.778 -23.803 -13.101 1.00 72.10 H new ATOM 0 HG13 VAL A 79 -23.704 -23.230 -14.784 1.00 72.10 H new ATOM 0 HG21 VAL A 79 -23.352 -20.261 -14.038 1.00 70.03 H new ATOM 0 HG22 VAL A 79 -24.487 -20.819 -15.290 1.00 70.03 H new ATOM 0 HG23 VAL A 79 -25.074 -19.827 -13.934 1.00 70.03 H new ATOM 1237 N ASP A 80 -27.289 -21.356 -15.501 1.00 55.34 N ATOM 1238 CA ASP A 80 -27.829 -21.233 -16.864 1.00 73.30 C ATOM 1239 C ASP A 80 -28.640 -22.483 -17.217 1.00 20.33 C ATOM 1240 O ASP A 80 -28.764 -22.866 -18.379 1.00 1.20 O ATOM 1241 CB ASP A 80 -26.704 -21.007 -17.894 1.00 20.52 C ATOM 1242 CG ASP A 80 -27.232 -20.622 -19.268 1.00 10.03 C ATOM 1243 OD1 ASP A 80 -27.691 -19.472 -19.429 1.00 1.25 O ATOM 1244 OD2 ASP A 80 -27.185 -21.463 -20.196 1.00 32.15 O ATOM 0 H ASP A 80 -27.620 -20.635 -14.860 1.00 55.34 H new ATOM 0 HA ASP A 80 -28.484 -20.362 -16.896 1.00 73.30 H new ATOM 0 HB2 ASP A 80 -26.039 -20.223 -17.533 1.00 20.52 H new ATOM 0 HB3 ASP A 80 -26.108 -21.916 -17.980 1.00 20.52 H new ATOM 1249 N GLY A 81 -29.205 -23.118 -16.196 1.00 35.00 N ATOM 1250 CA GLY A 81 -29.941 -24.351 -16.407 1.00 42.11 C ATOM 1251 C GLY A 81 -29.027 -25.495 -16.802 1.00 73.14 C ATOM 1252 O GLY A 81 -29.475 -26.517 -17.324 1.00 3.14 O ATOM 0 H GLY A 81 -29.167 -22.802 -15.227 1.00 35.00 H new ATOM 0 HA2 GLY A 81 -30.478 -24.614 -15.496 1.00 42.11 H new ATOM 0 HA3 GLY A 81 -30.689 -24.199 -17.185 1.00 42.11 H new ATOM 1256 N ARG A 82 -27.743 -25.319 -16.541 1.00 43.43 N ATOM 1257 CA ARG A 82 -26.740 -26.306 -16.890 1.00 5.41 C ATOM 1258 C ARG A 82 -26.107 -26.883 -15.629 1.00 0.32 C ATOM 1259 O ARG A 82 -25.794 -26.144 -14.694 1.00 24.24 O ATOM 1260 CB ARG A 82 -25.676 -25.652 -17.775 1.00 61.51 C ATOM 1261 CG ARG A 82 -24.571 -26.588 -18.224 1.00 42.41 C ATOM 1262 CD ARG A 82 -25.126 -27.816 -18.924 1.00 50.24 C ATOM 1263 NE ARG A 82 -25.996 -27.466 -20.042 1.00 54.41 N ATOM 1264 CZ ARG A 82 -26.489 -28.353 -20.902 1.00 4.24 C ATOM 1265 NH1 ARG A 82 -26.214 -29.644 -20.757 1.00 24.21 N ATOM 1266 NH2 ARG A 82 -27.266 -27.947 -21.895 1.00 51.21 N ATOM 0 H ARG A 82 -27.369 -24.489 -16.082 1.00 43.43 H new ATOM 0 HA ARG A 82 -27.209 -27.123 -17.439 1.00 5.41 H new ATOM 0 HB2 ARG A 82 -26.162 -25.234 -18.657 1.00 61.51 H new ATOM 0 HB3 ARG A 82 -25.231 -24.819 -17.231 1.00 61.51 H new ATOM 0 HG2 ARG A 82 -23.897 -26.059 -18.897 1.00 42.41 H new ATOM 0 HG3 ARG A 82 -23.982 -26.896 -17.360 1.00 42.41 H new ATOM 0 HD2 ARG A 82 -24.301 -28.430 -19.286 1.00 50.24 H new ATOM 0 HD3 ARG A 82 -25.683 -28.420 -18.208 1.00 50.24 H new ATOM 0 HE ARG A 82 -26.240 -26.484 -20.172 1.00 54.41 H new ATOM 0 HH11 ARG A 82 -25.624 -29.956 -19.986 1.00 24.21 H new ATOM 0 HH12 ARG A 82 -26.593 -30.323 -21.417 1.00 24.21 H new ATOM 0 HH21 ARG A 82 -27.485 -26.956 -21.999 1.00 51.21 H new ATOM 0 HH22 ARG A 82 -27.645 -28.625 -22.556 1.00 51.21 H new ATOM 1280 N VAL A 83 -25.941 -28.199 -15.600 1.00 52.14 N ATOM 1281 CA VAL A 83 -25.307 -28.858 -14.469 1.00 52.45 C ATOM 1282 C VAL A 83 -23.794 -28.822 -14.629 1.00 72.10 C ATOM 1283 O VAL A 83 -23.253 -29.316 -15.621 1.00 71.21 O ATOM 1284 CB VAL A 83 -25.775 -30.322 -14.323 1.00 75.22 C ATOM 1285 CG1 VAL A 83 -25.123 -30.982 -13.117 1.00 65.31 C ATOM 1286 CG2 VAL A 83 -27.289 -30.392 -14.220 1.00 25.33 C ATOM 0 H VAL A 83 -26.236 -28.829 -16.346 1.00 52.14 H new ATOM 0 HA VAL A 83 -25.599 -28.319 -13.568 1.00 52.45 H new ATOM 0 HB VAL A 83 -25.466 -30.867 -15.215 1.00 75.22 H new ATOM 0 HG11 VAL A 83 -25.468 -32.013 -13.035 1.00 65.31 H new ATOM 0 HG12 VAL A 83 -24.040 -30.971 -13.237 1.00 65.31 H new ATOM 0 HG13 VAL A 83 -25.393 -30.436 -12.213 1.00 65.31 H new ATOM 0 HG21 VAL A 83 -27.599 -31.432 -14.118 1.00 25.33 H new ATOM 0 HG22 VAL A 83 -27.621 -29.827 -13.349 1.00 25.33 H new ATOM 0 HG23 VAL A 83 -27.735 -29.967 -15.119 1.00 25.33 H new ATOM 1296 N VAL A 84 -23.117 -28.227 -13.661 1.00 2.32 N ATOM 1297 CA VAL A 84 -21.671 -28.076 -13.724 1.00 54.25 C ATOM 1298 C VAL A 84 -20.995 -28.822 -12.585 1.00 74.41 C ATOM 1299 O VAL A 84 -21.656 -29.300 -11.659 1.00 10.11 O ATOM 1300 CB VAL A 84 -21.251 -26.593 -13.663 1.00 41.35 C ATOM 1301 CG1 VAL A 84 -21.871 -25.815 -14.810 1.00 72.34 C ATOM 1302 CG2 VAL A 84 -21.631 -25.971 -12.324 1.00 31.01 C ATOM 0 H VAL A 84 -23.546 -27.840 -12.820 1.00 2.32 H new ATOM 0 HA VAL A 84 -21.354 -28.497 -14.678 1.00 54.25 H new ATOM 0 HB VAL A 84 -20.166 -26.545 -13.760 1.00 41.35 H new ATOM 0 HG11 VAL A 84 -21.563 -24.771 -14.750 1.00 72.34 H new ATOM 0 HG12 VAL A 84 -21.538 -26.237 -15.758 1.00 72.34 H new ATOM 0 HG13 VAL A 84 -22.957 -25.877 -14.747 1.00 72.34 H new ATOM 0 HG21 VAL A 84 -21.323 -24.925 -12.308 1.00 31.01 H new ATOM 0 HG22 VAL A 84 -22.711 -26.034 -12.187 1.00 31.01 H new ATOM 0 HG23 VAL A 84 -21.131 -26.509 -11.518 1.00 31.01 H new ATOM 1312 N GLU A 85 -19.679 -28.919 -12.658 1.00 52.24 N ATOM 1313 CA GLU A 85 -18.898 -29.497 -11.580 1.00 12.21 C ATOM 1314 C GLU A 85 -17.935 -28.461 -11.030 1.00 44.51 C ATOM 1315 O GLU A 85 -16.966 -28.091 -11.693 1.00 42.22 O ATOM 1316 CB GLU A 85 -18.123 -30.728 -12.044 1.00 63.33 C ATOM 1317 CG GLU A 85 -18.999 -31.916 -12.393 1.00 2.23 C ATOM 1318 CD GLU A 85 -18.198 -33.190 -12.530 1.00 75.25 C ATOM 1319 OE1 GLU A 85 -18.081 -33.929 -11.531 1.00 61.01 O ATOM 1320 OE2 GLU A 85 -17.665 -33.454 -13.627 1.00 41.41 O ATOM 0 H GLU A 85 -19.128 -28.603 -13.456 1.00 52.24 H new ATOM 0 HA GLU A 85 -19.589 -29.811 -10.797 1.00 12.21 H new ATOM 0 HB2 GLU A 85 -17.527 -30.461 -12.917 1.00 63.33 H new ATOM 0 HB3 GLU A 85 -17.426 -31.022 -11.259 1.00 63.33 H new ATOM 0 HG2 GLU A 85 -19.758 -32.046 -11.621 1.00 2.23 H new ATOM 0 HG3 GLU A 85 -19.525 -31.717 -13.327 1.00 2.23 H new ATOM 1327 N PRO A 86 -18.212 -27.960 -9.824 1.00 64.03 N ATOM 1328 CA PRO A 86 -17.378 -26.975 -9.167 1.00 20.12 C ATOM 1329 C PRO A 86 -16.293 -27.628 -8.314 1.00 72.43 C ATOM 1330 O PRO A 86 -16.568 -28.180 -7.245 1.00 11.43 O ATOM 1331 CB PRO A 86 -18.375 -26.203 -8.300 1.00 34.41 C ATOM 1332 CG PRO A 86 -19.591 -27.075 -8.163 1.00 70.24 C ATOM 1333 CD PRO A 86 -19.368 -28.312 -8.997 1.00 20.22 C ATOM 0 HA PRO A 86 -16.837 -26.343 -9.871 1.00 20.12 H new ATOM 0 HB2 PRO A 86 -17.947 -25.979 -7.323 1.00 34.41 H new ATOM 0 HB3 PRO A 86 -18.632 -25.249 -8.761 1.00 34.41 H new ATOM 0 HG2 PRO A 86 -19.754 -27.342 -7.119 1.00 70.24 H new ATOM 0 HG3 PRO A 86 -20.482 -26.544 -8.498 1.00 70.24 H new ATOM 0 HD2 PRO A 86 -19.167 -29.185 -8.376 1.00 20.22 H new ATOM 0 HD3 PRO A 86 -20.241 -28.549 -9.606 1.00 20.22 H new ATOM 1341 N LYS A 87 -15.061 -27.578 -8.798 1.00 73.31 N ATOM 1342 CA LYS A 87 -13.955 -28.241 -8.126 1.00 21.32 C ATOM 1343 C LYS A 87 -12.896 -27.234 -7.702 1.00 53.24 C ATOM 1344 O LYS A 87 -12.928 -26.085 -8.119 1.00 61.34 O ATOM 1345 CB LYS A 87 -13.341 -29.295 -9.048 1.00 44.11 C ATOM 1346 CG LYS A 87 -12.546 -28.729 -10.200 1.00 35.30 C ATOM 1347 CD LYS A 87 -11.820 -29.824 -10.963 1.00 41.13 C ATOM 1348 CE LYS A 87 -12.770 -30.705 -11.765 1.00 43.03 C ATOM 1349 NZ LYS A 87 -13.616 -31.588 -10.916 1.00 14.12 N ATOM 0 H LYS A 87 -14.803 -27.085 -9.653 1.00 73.31 H new ATOM 0 HA LYS A 87 -14.339 -28.729 -7.230 1.00 21.32 H new ATOM 0 HB2 LYS A 87 -12.692 -29.943 -8.458 1.00 44.11 H new ATOM 0 HB3 LYS A 87 -14.139 -29.921 -9.446 1.00 44.11 H new ATOM 0 HG2 LYS A 87 -13.213 -28.193 -10.876 1.00 35.30 H new ATOM 0 HG3 LYS A 87 -11.823 -28.005 -9.824 1.00 35.30 H new ATOM 0 HD2 LYS A 87 -11.093 -29.372 -11.637 1.00 41.13 H new ATOM 0 HD3 LYS A 87 -11.262 -30.443 -10.261 1.00 41.13 H new ATOM 0 HE2 LYS A 87 -13.415 -30.071 -12.373 1.00 43.03 H new ATOM 0 HE3 LYS A 87 -12.190 -31.321 -12.452 1.00 43.03 H new ATOM 0 HZ1 LYS A 87 -13.754 -32.501 -11.394 1.00 14.12 H new ATOM 0 HZ2 LYS A 87 -13.146 -31.744 -10.001 1.00 14.12 H new ATOM 0 HZ3 LYS A 87 -14.540 -31.137 -10.758 1.00 14.12 H new ATOM 1363 N ARG A 88 -11.968 -27.669 -6.865 1.00 54.24 N ATOM 1364 CA ARG A 88 -10.864 -26.820 -6.432 1.00 23.24 C ATOM 1365 C ARG A 88 -9.982 -26.463 -7.624 1.00 22.24 C ATOM 1366 O ARG A 88 -9.750 -27.299 -8.502 1.00 12.43 O ATOM 1367 CB ARG A 88 -10.028 -27.548 -5.381 1.00 2.34 C ATOM 1368 CG ARG A 88 -9.752 -26.733 -4.131 1.00 44.33 C ATOM 1369 CD ARG A 88 -11.001 -26.581 -3.282 1.00 2.23 C ATOM 1370 NE ARG A 88 -10.686 -26.095 -1.942 1.00 50.55 N ATOM 1371 CZ ARG A 88 -10.748 -26.854 -0.847 1.00 73.54 C ATOM 1372 NH1 ARG A 88 -11.121 -28.127 -0.931 1.00 75.21 N ATOM 1373 NH2 ARG A 88 -10.426 -26.348 0.334 1.00 2.31 N ATOM 0 H ARG A 88 -11.955 -28.609 -6.469 1.00 54.24 H new ATOM 0 HA ARG A 88 -11.272 -25.907 -6.000 1.00 23.24 H new ATOM 0 HB2 ARG A 88 -10.542 -28.466 -5.096 1.00 2.34 H new ATOM 0 HB3 ARG A 88 -9.078 -27.840 -5.828 1.00 2.34 H new ATOM 0 HG2 ARG A 88 -8.969 -27.215 -3.546 1.00 44.33 H new ATOM 0 HG3 ARG A 88 -9.379 -25.748 -4.412 1.00 44.33 H new ATOM 0 HD2 ARG A 88 -11.689 -25.889 -3.768 1.00 2.23 H new ATOM 0 HD3 ARG A 88 -11.512 -27.541 -3.210 1.00 2.23 H new ATOM 0 HE ARG A 88 -10.403 -25.121 -1.837 1.00 50.55 H new ATOM 0 HH11 ARG A 88 -11.362 -28.529 -1.837 1.00 75.21 H new ATOM 0 HH12 ARG A 88 -11.166 -28.702 -0.090 1.00 75.21 H new ATOM 0 HH21 ARG A 88 -10.129 -25.375 0.408 1.00 2.31 H new ATOM 0 HH22 ARG A 88 -10.475 -26.931 1.169 1.00 2.31 H new ATOM 1387 N ALA A 89 -9.493 -25.235 -7.661 1.00 24.01 N ATOM 1388 CA ALA A 89 -8.667 -24.787 -8.767 1.00 64.34 C ATOM 1389 C ALA A 89 -7.193 -25.096 -8.531 1.00 0.54 C ATOM 1390 O ALA A 89 -6.702 -25.035 -7.405 1.00 34.20 O ATOM 1391 CB ALA A 89 -8.863 -23.299 -9.013 1.00 70.30 C ATOM 0 H ALA A 89 -9.654 -24.533 -6.939 1.00 24.01 H new ATOM 0 HA ALA A 89 -8.983 -25.336 -9.654 1.00 64.34 H new ATOM 0 HB1 ALA A 89 -8.235 -22.982 -9.846 1.00 70.30 H new ATOM 0 HB2 ALA A 89 -9.909 -23.104 -9.252 1.00 70.30 H new ATOM 0 HB3 ALA A 89 -8.586 -22.743 -8.118 1.00 70.30 H new ATOM 1397 N VAL A 90 -6.504 -25.450 -9.603 1.00 73.54 N ATOM 1398 CA VAL A 90 -5.067 -25.662 -9.571 1.00 32.02 C ATOM 1399 C VAL A 90 -4.364 -24.383 -10.028 1.00 35.30 C ATOM 1400 O VAL A 90 -5.009 -23.490 -10.572 1.00 3.40 O ATOM 1401 CB VAL A 90 -4.667 -26.856 -10.481 1.00 15.10 C ATOM 1402 CG1 VAL A 90 -4.985 -26.564 -11.940 1.00 2.51 C ATOM 1403 CG2 VAL A 90 -3.201 -27.227 -10.312 1.00 12.41 C ATOM 0 H VAL A 90 -6.925 -25.598 -10.520 1.00 73.54 H new ATOM 0 HA VAL A 90 -4.762 -25.902 -8.553 1.00 32.02 H new ATOM 0 HB VAL A 90 -5.262 -27.714 -10.167 1.00 15.10 H new ATOM 0 HG11 VAL A 90 -4.694 -27.417 -12.553 1.00 2.51 H new ATOM 0 HG12 VAL A 90 -6.055 -26.385 -12.051 1.00 2.51 H new ATOM 0 HG13 VAL A 90 -4.434 -25.681 -12.263 1.00 2.51 H new ATOM 0 HG21 VAL A 90 -2.960 -28.066 -10.965 1.00 12.41 H new ATOM 0 HG22 VAL A 90 -2.577 -26.373 -10.574 1.00 12.41 H new ATOM 0 HG23 VAL A 90 -3.014 -27.509 -9.276 1.00 12.41 H new