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 Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 15 LYS NZ :NH3+ 158:sc= -1.16! (180deg=-2.09!) USER MOD Single : A 22 SER OG : rot -169:sc= 1.26 USER MOD Single : A 25 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.244 USER MOD Single : A 29 SER OG : rot -160:sc= -0.464 USER MOD Single : A 32 SER OG : rot 86:sc= 0.515 USER MOD Single : A 33 HIS : no HD1:sc= -0.962! C(o=-0.96!,f=-3.8!) USER MOD Single : A 36 GLN : amide:sc= -1.15! K(o=-1.2!,f=-0.077) 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 36:sc= -0.626 USER MOD Single : A 46 MET CE :methyl 166:sc= -0.622 (180deg=-1.19) USER MOD Single : A 61 THR OG1 : rot 80:sc= -0.26 USER MOD Single : A 62 TYR OH : rot 16:sc= 1.12 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0754 USER MOD Single : A 72 MET CE :methyl -164:sc= -1.05 (180deg=-2.43) USER MOD Single : A 73 ASN : amide:sc= 0.898 K(o=0.9,f=-0.087) USER MOD Single : A 77 HIS : no HD1:sc= -0.657 K(o=-0.66,f=-3.2) USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= -0.0369 (180deg=-0.334) USER MOD Single : A 87 LYS NZ :NH3+ -129:sc= 1.32 (180deg=0.514) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.376 -18.090 -3.460 1.00 52.00 N ATOM 149 CA GLU A 11 -6.577 -17.985 -4.278 1.00 14.34 C ATOM 150 C GLU A 11 -6.765 -19.279 -5.061 1.00 71.22 C ATOM 151 O GLU A 11 -7.796 -19.518 -5.680 1.00 54.22 O ATOM 152 CB GLU A 11 -6.489 -16.752 -5.198 1.00 63.21 C ATOM 153 CG GLU A 11 -6.273 -17.044 -6.676 1.00 73.22 C ATOM 154 CD GLU A 11 -4.930 -17.677 -6.983 1.00 52.12 C ATOM 155 OE1 GLU A 11 -3.903 -17.196 -6.462 1.00 53.40 O ATOM 156 OE2 GLU A 11 -4.906 -18.658 -7.757 1.00 70.21 O ATOM 0 HA GLU A 11 -7.452 -17.845 -3.644 1.00 14.34 H new ATOM 0 HB2 GLU A 11 -7.408 -16.176 -5.091 1.00 63.21 H new ATOM 0 HB3 GLU A 11 -5.673 -16.119 -4.849 1.00 63.21 H new ATOM 0 HG2 GLU A 11 -7.065 -17.706 -7.026 1.00 73.22 H new ATOM 0 HG3 GLU A 11 -6.363 -16.114 -7.238 1.00 73.22 H new ATOM 163 N GLN A 12 -5.734 -20.105 -5.013 1.00 3.14 N ATOM 164 CA GLN A 12 -5.755 -21.437 -5.576 1.00 4.02 C ATOM 165 C GLN A 12 -6.857 -22.275 -4.935 1.00 51.50 C ATOM 166 O GLN A 12 -7.692 -22.846 -5.630 1.00 34.21 O ATOM 167 CB GLN A 12 -4.378 -22.067 -5.353 1.00 11.13 C ATOM 168 CG GLN A 12 -4.336 -23.578 -5.450 1.00 71.43 C ATOM 169 CD GLN A 12 -2.934 -24.105 -5.240 1.00 61.44 C ATOM 170 OE1 GLN A 12 -2.131 -23.489 -4.540 1.00 60.13 O ATOM 171 NE2 GLN A 12 -2.628 -25.248 -5.823 1.00 22.45 N ATOM 0 H GLN A 12 -4.846 -19.862 -4.574 1.00 3.14 H new ATOM 0 HA GLN A 12 -5.969 -21.392 -6.644 1.00 4.02 H new ATOM 0 HB2 GLN A 12 -3.684 -21.653 -6.084 1.00 11.13 H new ATOM 0 HB3 GLN A 12 -4.017 -21.772 -4.368 1.00 11.13 H new ATOM 0 HG2 GLN A 12 -5.004 -24.011 -4.706 1.00 71.43 H new ATOM 0 HG3 GLN A 12 -4.702 -23.892 -6.428 1.00 71.43 H new ATOM 0 HE21 GLN A 12 -3.321 -25.730 -6.396 1.00 22.45 H new ATOM 0 HE22 GLN A 12 -1.699 -25.650 -5.701 1.00 22.45 H new ATOM 180 N LEU A 13 -6.885 -22.306 -3.608 1.00 14.43 N ATOM 181 CA LEU A 13 -7.834 -23.151 -2.899 1.00 23.12 C ATOM 182 C LEU A 13 -9.173 -22.441 -2.714 1.00 45.05 C ATOM 183 O LEU A 13 -10.178 -23.070 -2.390 1.00 5.41 O ATOM 184 CB LEU A 13 -7.238 -23.612 -1.556 1.00 61.02 C ATOM 185 CG LEU A 13 -6.980 -22.537 -0.487 1.00 21.05 C ATOM 186 CD1 LEU A 13 -8.258 -22.164 0.255 1.00 50.41 C ATOM 187 CD2 LEU A 13 -5.932 -23.026 0.497 1.00 72.43 C ATOM 0 H LEU A 13 -6.267 -21.761 -3.007 1.00 14.43 H new ATOM 0 HA LEU A 13 -8.027 -24.039 -3.501 1.00 23.12 H new ATOM 0 HB2 LEU A 13 -7.909 -24.357 -1.128 1.00 61.02 H new ATOM 0 HB3 LEU A 13 -6.293 -24.115 -1.762 1.00 61.02 H new ATOM 0 HG LEU A 13 -6.616 -21.643 -0.993 1.00 21.05 H new ATOM 0 HD11 LEU A 13 -8.036 -21.402 1.002 1.00 50.41 H new ATOM 0 HD12 LEU A 13 -8.990 -21.775 -0.453 1.00 50.41 H new ATOM 0 HD13 LEU A 13 -8.664 -23.048 0.748 1.00 50.41 H new ATOM 0 HD21 LEU A 13 -5.755 -22.259 1.251 1.00 72.43 H new ATOM 0 HD22 LEU A 13 -6.285 -23.937 0.982 1.00 72.43 H new ATOM 0 HD23 LEU A 13 -5.003 -23.234 -0.034 1.00 72.43 H new ATOM 199 N ARG A 14 -9.181 -21.128 -2.928 1.00 44.11 N ATOM 200 CA ARG A 14 -10.410 -20.346 -2.814 1.00 25.43 C ATOM 201 C ARG A 14 -11.085 -20.206 -4.169 1.00 51.14 C ATOM 202 O ARG A 14 -12.172 -19.635 -4.281 1.00 11.33 O ATOM 203 CB ARG A 14 -10.131 -18.960 -2.233 1.00 3.53 C ATOM 204 CG ARG A 14 -9.585 -18.994 -0.820 1.00 73.21 C ATOM 205 CD ARG A 14 -9.725 -17.648 -0.139 1.00 4.50 C ATOM 206 NE ARG A 14 -8.908 -16.604 -0.763 1.00 50.02 N ATOM 207 CZ ARG A 14 -8.436 -15.542 -0.105 1.00 72.35 C ATOM 208 NH1 ARG A 14 -8.703 -15.392 1.186 1.00 65.11 N ATOM 209 NH2 ARG A 14 -7.716 -14.625 -0.743 1.00 45.11 N ATOM 0 H ARG A 14 -8.355 -20.585 -3.180 1.00 44.11 H new ATOM 0 HA ARG A 14 -11.077 -20.879 -2.136 1.00 25.43 H new ATOM 0 HB2 ARG A 14 -9.420 -18.442 -2.876 1.00 3.53 H new ATOM 0 HB3 ARG A 14 -11.053 -18.378 -2.244 1.00 3.53 H new ATOM 0 HG2 ARG A 14 -10.114 -19.752 -0.242 1.00 73.21 H new ATOM 0 HG3 ARG A 14 -8.535 -19.285 -0.841 1.00 73.21 H new ATOM 0 HD2 ARG A 14 -10.771 -17.344 -0.159 1.00 4.50 H new ATOM 0 HD3 ARG A 14 -9.442 -17.746 0.909 1.00 4.50 H new ATOM 0 HE ARG A 14 -8.688 -16.693 -1.755 1.00 50.02 H new ATOM 0 HH11 ARG A 14 -9.268 -16.087 1.674 1.00 65.11 H new ATOM 0 HH12 ARG A 14 -8.343 -14.582 1.690 1.00 65.11 H new ATOM 0 HH21 ARG A 14 -7.522 -14.731 -1.739 1.00 45.11 H new ATOM 0 HH22 ARG A 14 -7.357 -13.815 -0.237 1.00 45.11 H new ATOM 223 N LYS A 15 -10.429 -20.714 -5.194 1.00 53.51 N ATOM 224 CA LYS A 15 -10.966 -20.660 -6.541 1.00 33.52 C ATOM 225 C LYS A 15 -11.648 -21.973 -6.893 1.00 64.41 C ATOM 226 O LYS A 15 -11.096 -23.054 -6.687 1.00 54.01 O ATOM 227 CB LYS A 15 -9.858 -20.375 -7.553 1.00 1.14 C ATOM 228 CG LYS A 15 -10.364 -20.016 -8.941 1.00 24.31 C ATOM 229 CD LYS A 15 -9.266 -20.100 -10.001 1.00 1.12 C ATOM 230 CE LYS A 15 -8.095 -19.157 -9.733 1.00 0.24 C ATOM 231 NZ LYS A 15 -7.197 -19.658 -8.654 1.00 33.51 N ATOM 0 H LYS A 15 -9.520 -21.171 -5.120 1.00 53.51 H new ATOM 0 HA LYS A 15 -11.698 -19.853 -6.580 1.00 33.52 H new ATOM 0 HB2 LYS A 15 -9.241 -19.557 -7.180 1.00 1.14 H new ATOM 0 HB3 LYS A 15 -9.214 -21.252 -7.628 1.00 1.14 H new ATOM 0 HG2 LYS A 15 -11.179 -20.687 -9.212 1.00 24.31 H new ATOM 0 HG3 LYS A 15 -10.774 -19.006 -8.925 1.00 24.31 H new ATOM 0 HD2 LYS A 15 -8.895 -21.124 -10.050 1.00 1.12 H new ATOM 0 HD3 LYS A 15 -9.694 -19.869 -10.977 1.00 1.12 H new ATOM 0 HE2 LYS A 15 -7.520 -19.027 -10.650 1.00 0.24 H new ATOM 0 HE3 LYS A 15 -8.479 -18.175 -9.456 1.00 0.24 H new ATOM 0 HZ1 LYS A 15 -6.259 -19.220 -8.752 1.00 33.51 H new ATOM 0 HZ2 LYS A 15 -7.599 -19.413 -7.726 1.00 33.51 H new ATOM 0 HZ3 LYS A 15 -7.106 -20.691 -8.730 1.00 33.51 H new ATOM 245 N LEU A 16 -12.855 -21.865 -7.402 1.00 22.43 N ATOM 246 CA LEU A 16 -13.597 -23.009 -7.889 1.00 34.52 C ATOM 247 C LEU A 16 -13.470 -23.118 -9.406 1.00 10.34 C ATOM 248 O LEU A 16 -13.651 -22.134 -10.127 1.00 12.24 O ATOM 249 CB LEU A 16 -15.066 -22.871 -7.493 1.00 2.32 C ATOM 250 CG LEU A 16 -15.507 -23.690 -6.279 1.00 53.33 C ATOM 251 CD1 LEU A 16 -17.012 -23.612 -6.102 1.00 2.33 C ATOM 252 CD2 LEU A 16 -15.068 -25.135 -6.413 1.00 64.30 C ATOM 0 H LEU A 16 -13.352 -20.979 -7.491 1.00 22.43 H new ATOM 0 HA LEU A 16 -13.187 -23.915 -7.443 1.00 34.52 H new ATOM 0 HB2 LEU A 16 -15.272 -21.820 -7.293 1.00 2.32 H new ATOM 0 HB3 LEU A 16 -15.681 -23.159 -8.345 1.00 2.32 H new ATOM 0 HG LEU A 16 -15.029 -23.267 -5.395 1.00 53.33 H new ATOM 0 HD11 LEU A 16 -17.307 -24.201 -5.233 1.00 2.33 H new ATOM 0 HD12 LEU A 16 -17.308 -22.573 -5.954 1.00 2.33 H new ATOM 0 HD13 LEU A 16 -17.504 -24.006 -6.991 1.00 2.33 H new ATOM 0 HD21 LEU A 16 -15.393 -25.697 -5.537 1.00 64.30 H new ATOM 0 HD22 LEU A 16 -15.513 -25.569 -7.308 1.00 64.30 H new ATOM 0 HD23 LEU A 16 -13.982 -25.180 -6.490 1.00 64.30 H new ATOM 264 N PHE A 17 -13.139 -24.312 -9.872 1.00 54.12 N ATOM 265 CA PHE A 17 -13.039 -24.593 -11.296 1.00 32.13 C ATOM 266 C PHE A 17 -14.385 -25.072 -11.809 1.00 74.22 C ATOM 267 O PHE A 17 -14.826 -26.168 -11.465 1.00 70.23 O ATOM 268 CB PHE A 17 -11.976 -25.668 -11.542 1.00 64.44 C ATOM 269 CG PHE A 17 -11.742 -25.997 -12.992 1.00 35.11 C ATOM 270 CD1 PHE A 17 -11.634 -27.313 -13.401 1.00 64.45 C ATOM 271 CD2 PHE A 17 -11.618 -24.998 -13.938 1.00 23.52 C ATOM 272 CE1 PHE A 17 -11.401 -27.627 -14.723 1.00 43.33 C ATOM 273 CE2 PHE A 17 -11.389 -25.301 -15.264 1.00 5.22 C ATOM 274 CZ PHE A 17 -11.277 -26.617 -15.659 1.00 60.53 C ATOM 0 H PHE A 17 -12.932 -25.113 -9.275 1.00 54.12 H new ATOM 0 HA PHE A 17 -12.751 -23.685 -11.825 1.00 32.13 H new ATOM 0 HB2 PHE A 17 -11.035 -25.338 -11.101 1.00 64.44 H new ATOM 0 HB3 PHE A 17 -12.271 -26.578 -11.019 1.00 64.44 H new ATOM 0 HD1 PHE A 17 -11.734 -28.106 -12.675 1.00 64.45 H new ATOM 0 HD2 PHE A 17 -11.702 -23.965 -13.635 1.00 23.52 H new ATOM 0 HE1 PHE A 17 -11.316 -28.660 -15.027 1.00 43.33 H new ATOM 0 HE2 PHE A 17 -11.298 -24.508 -15.992 1.00 5.22 H new ATOM 0 HZ PHE A 17 -11.093 -26.858 -16.696 1.00 60.53 H new ATOM 284 N ILE A 18 -15.043 -24.250 -12.611 1.00 25.35 N ATOM 285 CA ILE A 18 -16.370 -24.583 -13.101 1.00 52.11 C ATOM 286 C ILE A 18 -16.308 -24.984 -14.556 1.00 43.24 C ATOM 287 O ILE A 18 -16.197 -24.139 -15.440 1.00 64.53 O ATOM 288 CB ILE A 18 -17.354 -23.407 -12.952 1.00 34.11 C ATOM 289 CG1 ILE A 18 -17.224 -22.776 -11.571 1.00 64.24 C ATOM 290 CG2 ILE A 18 -18.783 -23.875 -13.189 1.00 24.30 C ATOM 291 CD1 ILE A 18 -17.316 -23.768 -10.433 1.00 71.53 C ATOM 0 H ILE A 18 -14.682 -23.353 -12.935 1.00 25.35 H new ATOM 0 HA ILE A 18 -16.731 -25.414 -12.496 1.00 52.11 H new ATOM 0 HB ILE A 18 -17.108 -22.654 -13.701 1.00 34.11 H new ATOM 0 HG12 ILE A 18 -16.269 -22.254 -11.509 1.00 64.24 H new ATOM 0 HG13 ILE A 18 -18.005 -22.026 -11.450 1.00 64.24 H new ATOM 0 HG21 ILE A 18 -19.465 -23.032 -13.080 1.00 24.30 H new ATOM 0 HG22 ILE A 18 -18.870 -24.284 -14.196 1.00 24.30 H new ATOM 0 HG23 ILE A 18 -19.039 -24.645 -12.461 1.00 24.30 H new ATOM 0 HD11 ILE A 18 -17.215 -23.243 -9.483 1.00 71.53 H new ATOM 0 HD12 ILE A 18 -18.282 -24.273 -10.467 1.00 71.53 H new ATOM 0 HD13 ILE A 18 -16.518 -24.505 -10.527 1.00 71.53 H new ATOM 303 N GLY A 19 -16.371 -26.274 -14.803 1.00 14.24 N ATOM 304 CA GLY A 19 -16.298 -26.756 -16.159 1.00 43.03 C ATOM 305 C GLY A 19 -17.590 -27.390 -16.610 1.00 1.12 C ATOM 306 O GLY A 19 -18.329 -27.952 -15.798 1.00 32.22 O ATOM 0 H GLY A 19 -16.471 -26.998 -14.091 1.00 14.24 H new ATOM 0 HA2 GLY A 19 -16.050 -25.929 -16.824 1.00 43.03 H new ATOM 0 HA3 GLY A 19 -15.491 -27.484 -16.241 1.00 43.03 H new ATOM 310 N GLY A 20 -17.868 -27.287 -17.901 1.00 54.14 N ATOM 311 CA GLY A 20 -19.034 -27.932 -18.461 1.00 61.43 C ATOM 312 C GLY A 20 -20.292 -27.111 -18.287 1.00 41.23 C ATOM 313 O GLY A 20 -21.377 -27.663 -18.144 1.00 61.04 O ATOM 0 H GLY A 20 -17.304 -26.766 -18.572 1.00 54.14 H new ATOM 0 HA2 GLY A 20 -18.868 -28.116 -19.523 1.00 61.43 H new ATOM 0 HA3 GLY A 20 -19.170 -28.904 -17.987 1.00 61.43 H new ATOM 317 N LEU A 21 -20.151 -25.790 -18.315 1.00 55.24 N ATOM 318 CA LEU A 21 -21.288 -24.901 -18.125 1.00 11.44 C ATOM 319 C LEU A 21 -21.866 -24.436 -19.455 1.00 44.33 C ATOM 320 O LEU A 21 -21.264 -24.627 -20.512 1.00 54.15 O ATOM 321 CB LEU A 21 -20.912 -23.699 -17.241 1.00 72.34 C ATOM 322 CG LEU A 21 -19.590 -22.996 -17.569 1.00 24.43 C ATOM 323 CD1 LEU A 21 -19.747 -22.038 -18.738 1.00 61.33 C ATOM 324 CD2 LEU A 21 -19.077 -22.255 -16.346 1.00 51.24 C ATOM 0 H LEU A 21 -19.262 -25.314 -18.467 1.00 55.24 H new ATOM 0 HA LEU A 21 -22.062 -25.471 -17.611 1.00 11.44 H new ATOM 0 HB2 LEU A 21 -21.714 -22.964 -17.305 1.00 72.34 H new ATOM 0 HB3 LEU A 21 -20.871 -24.037 -16.205 1.00 72.34 H new ATOM 0 HG LEU A 21 -18.865 -23.757 -17.857 1.00 24.43 H new ATOM 0 HD11 LEU A 21 -18.791 -21.556 -18.944 1.00 61.33 H new ATOM 0 HD12 LEU A 21 -20.073 -22.590 -19.620 1.00 61.33 H new ATOM 0 HD13 LEU A 21 -20.489 -21.280 -18.490 1.00 61.33 H new ATOM 0 HD21 LEU A 21 -18.137 -21.759 -16.589 1.00 51.24 H new ATOM 0 HD22 LEU A 21 -19.811 -21.511 -16.037 1.00 51.24 H new ATOM 0 HD23 LEU A 21 -18.914 -22.963 -15.533 1.00 51.24 H new ATOM 336 N SER A 22 -23.040 -23.830 -19.381 1.00 50.33 N ATOM 337 CA SER A 22 -23.748 -23.348 -20.554 1.00 44.34 C ATOM 338 C SER A 22 -22.921 -22.302 -21.291 1.00 23.04 C ATOM 339 O SER A 22 -22.212 -21.507 -20.677 1.00 61.52 O ATOM 340 CB SER A 22 -25.098 -22.764 -20.122 1.00 60.01 C ATOM 341 OG SER A 22 -25.780 -22.135 -21.196 1.00 4.01 O ATOM 0 H SER A 22 -23.529 -23.658 -18.503 1.00 50.33 H new ATOM 0 HA SER A 22 -23.917 -24.179 -21.238 1.00 44.34 H new ATOM 0 HB2 SER A 22 -25.722 -23.559 -19.714 1.00 60.01 H new ATOM 0 HB3 SER A 22 -24.940 -22.041 -19.322 1.00 60.01 H new ATOM 0 HG SER A 22 -26.548 -21.636 -20.848 1.00 4.01 H new ATOM 347 N PHE A 23 -23.022 -22.296 -22.612 1.00 10.30 N ATOM 348 CA PHE A 23 -22.292 -21.334 -23.425 1.00 11.11 C ATOM 349 C PHE A 23 -22.916 -19.950 -23.296 1.00 75.32 C ATOM 350 O PHE A 23 -22.398 -18.969 -23.823 1.00 22.33 O ATOM 351 CB PHE A 23 -22.272 -21.778 -24.886 1.00 22.45 C ATOM 352 CG PHE A 23 -21.656 -23.134 -25.078 1.00 25.42 C ATOM 353 CD1 PHE A 23 -22.453 -24.248 -25.277 1.00 71.34 C ATOM 354 CD2 PHE A 23 -20.282 -23.294 -25.048 1.00 53.01 C ATOM 355 CE1 PHE A 23 -21.891 -25.497 -25.443 1.00 63.41 C ATOM 356 CE2 PHE A 23 -19.713 -24.540 -25.215 1.00 44.12 C ATOM 357 CZ PHE A 23 -20.518 -25.644 -25.412 1.00 2.13 C ATOM 0 H PHE A 23 -23.602 -22.946 -23.143 1.00 10.30 H new ATOM 0 HA PHE A 23 -21.264 -21.285 -23.066 1.00 11.11 H new ATOM 0 HB2 PHE A 23 -23.292 -21.790 -25.270 1.00 22.45 H new ATOM 0 HB3 PHE A 23 -21.718 -21.047 -25.475 1.00 22.45 H new ATOM 0 HD1 PHE A 23 -23.527 -24.138 -25.303 1.00 71.34 H new ATOM 0 HD2 PHE A 23 -19.648 -22.434 -24.892 1.00 53.01 H new ATOM 0 HE1 PHE A 23 -22.524 -26.359 -25.597 1.00 63.41 H new ATOM 0 HE2 PHE A 23 -18.639 -24.651 -25.192 1.00 44.12 H new ATOM 0 HZ PHE A 23 -20.075 -26.620 -25.542 1.00 2.13 H new ATOM 367 N GLU A 24 -24.035 -19.889 -22.587 1.00 31.03 N ATOM 368 CA GLU A 24 -24.696 -18.629 -22.303 1.00 15.01 C ATOM 369 C GLU A 24 -24.411 -18.219 -20.864 1.00 30.12 C ATOM 370 O GLU A 24 -24.938 -17.226 -20.361 1.00 45.30 O ATOM 371 CB GLU A 24 -26.194 -18.766 -22.554 1.00 73.30 C ATOM 372 CG GLU A 24 -26.493 -19.384 -23.908 1.00 30.22 C ATOM 373 CD GLU A 24 -27.971 -19.456 -24.221 1.00 25.40 C ATOM 374 OE1 GLU A 24 -28.572 -20.530 -24.029 1.00 43.02 O ATOM 375 OE2 GLU A 24 -28.531 -18.438 -24.682 1.00 75.15 O ATOM 0 H GLU A 24 -24.505 -20.706 -22.197 1.00 31.03 H new ATOM 0 HA GLU A 24 -24.313 -17.851 -22.963 1.00 15.01 H new ATOM 0 HB2 GLU A 24 -26.638 -19.380 -21.770 1.00 73.30 H new ATOM 0 HB3 GLU A 24 -26.662 -17.784 -22.493 1.00 73.30 H new ATOM 0 HG2 GLU A 24 -25.993 -18.803 -24.683 1.00 30.22 H new ATOM 0 HG3 GLU A 24 -26.072 -20.389 -23.941 1.00 30.22 H new ATOM 382 N THR A 25 -23.581 -19.017 -20.206 1.00 35.21 N ATOM 383 CA THR A 25 -23.073 -18.685 -18.890 1.00 22.31 C ATOM 384 C THR A 25 -21.843 -17.793 -19.012 1.00 64.31 C ATOM 385 O THR A 25 -20.746 -18.267 -19.321 1.00 21.25 O ATOM 386 CB THR A 25 -22.699 -19.954 -18.099 1.00 25.12 C ATOM 387 OG1 THR A 25 -23.848 -20.799 -17.959 1.00 22.51 O ATOM 388 CG2 THR A 25 -22.145 -19.603 -16.724 1.00 12.12 C ATOM 0 H THR A 25 -23.244 -19.908 -20.571 1.00 35.21 H new ATOM 0 HA THR A 25 -23.862 -18.158 -18.354 1.00 22.31 H new ATOM 0 HB THR A 25 -21.924 -20.483 -18.654 1.00 25.12 H new ATOM 0 HG1 THR A 25 -23.603 -21.604 -17.457 1.00 22.51 H new ATOM 0 HG21 THR A 25 -21.890 -20.518 -16.190 1.00 12.12 H new ATOM 0 HG22 THR A 25 -21.252 -18.989 -16.838 1.00 12.12 H new ATOM 0 HG23 THR A 25 -22.896 -19.050 -16.159 1.00 12.12 H new ATOM 396 N THR A 26 -22.033 -16.504 -18.807 1.00 11.33 N ATOM 397 CA THR A 26 -20.925 -15.575 -18.830 1.00 1.02 C ATOM 398 C THR A 26 -20.622 -15.101 -17.415 1.00 62.05 C ATOM 399 O THR A 26 -21.180 -15.625 -16.455 1.00 24.23 O ATOM 400 CB THR A 26 -21.196 -14.372 -19.768 1.00 15.41 C ATOM 401 OG1 THR A 26 -19.998 -13.596 -19.941 1.00 54.21 O ATOM 402 CG2 THR A 26 -22.304 -13.482 -19.227 1.00 23.50 C ATOM 0 H THR A 26 -22.942 -16.079 -18.623 1.00 11.33 H new ATOM 0 HA THR A 26 -20.055 -16.097 -19.228 1.00 1.02 H new ATOM 0 HB THR A 26 -21.516 -14.771 -20.731 1.00 15.41 H new ATOM 0 HG1 THR A 26 -20.181 -12.840 -20.537 1.00 54.21 H new ATOM 0 HG21 THR A 26 -22.467 -12.648 -19.910 1.00 23.50 H new ATOM 0 HG22 THR A 26 -23.223 -14.061 -19.134 1.00 23.50 H new ATOM 0 HG23 THR A 26 -22.017 -13.098 -18.248 1.00 23.50 H new ATOM 410 N ASP A 27 -19.732 -14.130 -17.307 1.00 22.43 N ATOM 411 CA ASP A 27 -19.277 -13.593 -16.024 1.00 4.04 C ATOM 412 C ASP A 27 -20.433 -13.340 -15.062 1.00 74.31 C ATOM 413 O ASP A 27 -20.475 -13.900 -13.963 1.00 23.15 O ATOM 414 CB ASP A 27 -18.522 -12.294 -16.273 1.00 71.20 C ATOM 415 CG ASP A 27 -18.082 -11.602 -15.003 1.00 0.11 C ATOM 416 OD1 ASP A 27 -16.899 -11.729 -14.635 1.00 21.23 O ATOM 417 OD2 ASP A 27 -18.914 -10.910 -14.381 1.00 22.01 O ATOM 0 H ASP A 27 -19.296 -13.683 -18.114 1.00 22.43 H new ATOM 0 HA ASP A 27 -18.626 -14.333 -15.559 1.00 4.04 H new ATOM 0 HB2 ASP A 27 -17.645 -12.504 -16.886 1.00 71.20 H new ATOM 0 HB3 ASP A 27 -19.157 -11.618 -16.845 1.00 71.20 H new ATOM 422 N GLU A 28 -21.371 -12.507 -15.486 1.00 53.33 N ATOM 423 CA GLU A 28 -22.513 -12.164 -14.655 1.00 35.42 C ATOM 424 C GLU A 28 -23.370 -13.391 -14.372 1.00 14.11 C ATOM 425 O GLU A 28 -23.829 -13.585 -13.248 1.00 30.34 O ATOM 426 CB GLU A 28 -23.354 -11.075 -15.320 1.00 25.52 C ATOM 427 CG GLU A 28 -23.853 -11.445 -16.707 1.00 24.31 C ATOM 428 CD GLU A 28 -24.833 -10.438 -17.258 1.00 3.12 C ATOM 429 OE1 GLU A 28 -24.393 -9.471 -17.915 1.00 31.23 O ATOM 430 OE2 GLU A 28 -26.052 -10.601 -17.024 1.00 12.32 O ATOM 0 H GLU A 28 -21.363 -12.056 -16.401 1.00 53.33 H new ATOM 0 HA GLU A 28 -22.135 -11.784 -13.706 1.00 35.42 H new ATOM 0 HB2 GLU A 28 -24.210 -10.851 -14.684 1.00 25.52 H new ATOM 0 HB3 GLU A 28 -22.761 -10.163 -15.389 1.00 25.52 H new ATOM 0 HG2 GLU A 28 -23.003 -11.528 -17.385 1.00 24.31 H new ATOM 0 HG3 GLU A 28 -24.328 -12.425 -16.669 1.00 24.31 H new ATOM 437 N SER A 29 -23.549 -14.235 -15.383 1.00 4.25 N ATOM 438 CA SER A 29 -24.393 -15.411 -15.248 1.00 53.33 C ATOM 439 C SER A 29 -23.781 -16.374 -14.244 1.00 55.42 C ATOM 440 O SER A 29 -24.486 -17.026 -13.475 1.00 64.41 O ATOM 441 CB SER A 29 -24.541 -16.105 -16.600 1.00 72.15 C ATOM 442 OG SER A 29 -24.555 -15.162 -17.659 1.00 23.31 O ATOM 0 H SER A 29 -23.121 -14.125 -16.302 1.00 4.25 H new ATOM 0 HA SER A 29 -25.377 -15.101 -14.895 1.00 53.33 H new ATOM 0 HB2 SER A 29 -23.719 -16.806 -16.744 1.00 72.15 H new ATOM 0 HB3 SER A 29 -25.463 -16.687 -16.615 1.00 72.15 H new ATOM 0 HG SER A 29 -24.958 -15.569 -18.454 1.00 23.31 H new ATOM 448 N LEU A 30 -22.456 -16.431 -14.238 1.00 54.35 N ATOM 449 CA LEU A 30 -21.741 -17.363 -13.390 1.00 73.54 C ATOM 450 C LEU A 30 -21.724 -16.865 -11.956 1.00 24.41 C ATOM 451 O LEU A 30 -22.046 -17.607 -11.028 1.00 51.32 O ATOM 452 CB LEU A 30 -20.305 -17.551 -13.887 1.00 15.22 C ATOM 453 CG LEU A 30 -19.512 -18.647 -13.171 1.00 54.12 C ATOM 454 CD1 LEU A 30 -20.060 -20.020 -13.528 1.00 74.53 C ATOM 455 CD2 LEU A 30 -18.035 -18.555 -13.514 1.00 42.11 C ATOM 0 H LEU A 30 -21.857 -15.839 -14.814 1.00 54.35 H new ATOM 0 HA LEU A 30 -22.256 -18.323 -13.429 1.00 73.54 H new ATOM 0 HB2 LEU A 30 -20.332 -17.780 -14.952 1.00 15.22 H new ATOM 0 HB3 LEU A 30 -19.772 -16.607 -13.777 1.00 15.22 H new ATOM 0 HG LEU A 30 -19.621 -18.501 -12.096 1.00 54.12 H new ATOM 0 HD11 LEU A 30 -19.484 -20.787 -13.010 1.00 74.53 H new ATOM 0 HD12 LEU A 30 -21.105 -20.084 -13.226 1.00 74.53 H new ATOM 0 HD13 LEU A 30 -19.984 -20.174 -14.604 1.00 74.53 H new ATOM 0 HD21 LEU A 30 -17.491 -19.343 -12.994 1.00 42.11 H new ATOM 0 HD22 LEU A 30 -17.903 -18.672 -14.590 1.00 42.11 H new ATOM 0 HD23 LEU A 30 -17.649 -17.583 -13.205 1.00 42.11 H new ATOM 467 N ARG A 31 -21.369 -15.599 -11.776 1.00 42.50 N ATOM 468 CA ARG A 31 -21.215 -15.056 -10.440 1.00 41.31 C ATOM 469 C ARG A 31 -22.550 -15.067 -9.698 1.00 1.40 C ATOM 470 O ARG A 31 -22.600 -15.420 -8.529 1.00 73.21 O ATOM 471 CB ARG A 31 -20.611 -13.640 -10.469 1.00 61.10 C ATOM 472 CG ARG A 31 -21.632 -12.517 -10.398 1.00 0.41 C ATOM 473 CD ARG A 31 -20.980 -11.154 -10.235 1.00 1.53 C ATOM 474 NE ARG A 31 -20.059 -10.812 -11.321 1.00 10.01 N ATOM 475 CZ ARG A 31 -19.092 -9.898 -11.202 1.00 44.24 C ATOM 476 NH1 ARG A 31 -18.910 -9.260 -10.051 1.00 72.11 N ATOM 477 NH2 ARG A 31 -18.302 -9.627 -12.229 1.00 4.41 N ATOM 0 H ARG A 31 -21.185 -14.939 -12.531 1.00 42.50 H new ATOM 0 HA ARG A 31 -20.516 -15.695 -9.900 1.00 41.31 H new ATOM 0 HB2 ARG A 31 -19.918 -13.537 -9.634 1.00 61.10 H new ATOM 0 HB3 ARG A 31 -20.028 -13.526 -11.383 1.00 61.10 H new ATOM 0 HG2 ARG A 31 -22.237 -12.522 -11.304 1.00 0.41 H new ATOM 0 HG3 ARG A 31 -22.308 -12.696 -9.562 1.00 0.41 H new ATOM 0 HD2 ARG A 31 -21.758 -10.393 -10.176 1.00 1.53 H new ATOM 0 HD3 ARG A 31 -20.439 -11.130 -9.289 1.00 1.53 H new ATOM 0 HE ARG A 31 -20.161 -11.296 -12.213 1.00 10.01 H new ATOM 0 HH11 ARG A 31 -19.510 -9.467 -9.253 1.00 72.11 H new ATOM 0 HH12 ARG A 31 -18.170 -8.563 -9.966 1.00 72.11 H new ATOM 0 HH21 ARG A 31 -18.431 -10.117 -13.115 1.00 4.41 H new ATOM 0 HH22 ARG A 31 -17.565 -8.929 -12.135 1.00 4.41 H new ATOM 491 N SER A 32 -23.634 -14.733 -10.388 1.00 52.20 N ATOM 492 CA SER A 32 -24.937 -14.635 -9.745 1.00 34.21 C ATOM 493 C SER A 32 -25.425 -15.993 -9.251 1.00 61.25 C ATOM 494 O SER A 32 -26.110 -16.080 -8.232 1.00 34.32 O ATOM 495 CB SER A 32 -25.950 -14.011 -10.702 1.00 2.22 C ATOM 496 OG SER A 32 -25.558 -12.694 -11.054 1.00 53.11 O ATOM 0 H SER A 32 -23.636 -14.527 -11.387 1.00 52.20 H new ATOM 0 HA SER A 32 -24.833 -13.991 -8.872 1.00 34.21 H new ATOM 0 HB2 SER A 32 -26.035 -14.623 -11.600 1.00 2.22 H new ATOM 0 HB3 SER A 32 -26.935 -13.991 -10.235 1.00 2.22 H new ATOM 0 HG SER A 32 -24.937 -12.729 -11.812 1.00 53.11 H new ATOM 502 N HIS A 33 -25.051 -17.055 -9.948 1.00 63.35 N ATOM 503 CA HIS A 33 -25.468 -18.391 -9.548 1.00 22.32 C ATOM 504 C HIS A 33 -24.474 -19.029 -8.585 1.00 4.13 C ATOM 505 O HIS A 33 -24.714 -20.122 -8.081 1.00 14.20 O ATOM 506 CB HIS A 33 -25.694 -19.287 -10.768 1.00 63.33 C ATOM 507 CG HIS A 33 -27.013 -19.036 -11.432 1.00 64.24 C ATOM 508 ND1 HIS A 33 -27.106 -18.703 -12.760 1.00 41.54 N ATOM 509 CD2 HIS A 33 -28.255 -19.073 -10.897 1.00 74.20 C ATOM 510 CE1 HIS A 33 -28.395 -18.541 -12.999 1.00 12.44 C ATOM 511 NE2 HIS A 33 -29.131 -18.755 -11.901 1.00 34.05 N ATOM 0 H HIS A 33 -24.467 -17.020 -10.783 1.00 63.35 H new ATOM 0 HA HIS A 33 -26.416 -18.288 -9.021 1.00 22.32 H new ATOM 0 HB2 HIS A 33 -24.892 -19.123 -11.488 1.00 63.33 H new ATOM 0 HB3 HIS A 33 -25.639 -20.332 -10.462 1.00 63.33 H new ATOM 0 HD2 HIS A 33 -28.508 -19.308 -9.874 1.00 74.20 H new ATOM 0 HE1 HIS A 33 -28.805 -18.270 -13.961 1.00 12.44 H new ATOM 0 HE2 HIS A 33 -30.146 -18.693 -11.827 1.00 34.05 H new ATOM 519 N PHE A 34 -23.365 -18.351 -8.321 1.00 41.21 N ATOM 520 CA PHE A 34 -22.395 -18.847 -7.352 1.00 13.34 C ATOM 521 C PHE A 34 -22.319 -17.952 -6.112 1.00 53.52 C ATOM 522 O PHE A 34 -21.912 -18.404 -5.044 1.00 4.52 O ATOM 523 CB PHE A 34 -21.015 -19.013 -7.995 1.00 44.15 C ATOM 524 CG PHE A 34 -20.860 -20.313 -8.741 1.00 24.41 C ATOM 525 CD1 PHE A 34 -20.263 -21.405 -8.131 1.00 12.01 C ATOM 526 CD2 PHE A 34 -21.316 -20.447 -10.042 1.00 34.42 C ATOM 527 CE1 PHE A 34 -20.122 -22.604 -8.805 1.00 32.51 C ATOM 528 CE2 PHE A 34 -21.178 -21.644 -10.722 1.00 11.01 C ATOM 529 CZ PHE A 34 -20.581 -22.726 -10.103 1.00 50.24 C ATOM 0 H PHE A 34 -23.115 -17.464 -8.759 1.00 41.21 H new ATOM 0 HA PHE A 34 -22.738 -19.828 -7.022 1.00 13.34 H new ATOM 0 HB2 PHE A 34 -20.839 -18.185 -8.681 1.00 44.15 H new ATOM 0 HB3 PHE A 34 -20.251 -18.953 -7.220 1.00 44.15 H new ATOM 0 HD1 PHE A 34 -19.903 -21.318 -7.116 1.00 12.01 H new ATOM 0 HD2 PHE A 34 -21.785 -19.607 -10.532 1.00 34.42 H new ATOM 0 HE1 PHE A 34 -19.653 -23.446 -8.317 1.00 32.51 H new ATOM 0 HE2 PHE A 34 -21.537 -21.733 -11.737 1.00 11.01 H new ATOM 0 HZ PHE A 34 -20.474 -23.662 -10.631 1.00 50.24 H new ATOM 539 N GLU A 35 -22.749 -16.696 -6.239 1.00 64.34 N ATOM 540 CA GLU A 35 -22.782 -15.772 -5.098 1.00 50.30 C ATOM 541 C GLU A 35 -23.919 -16.119 -4.138 1.00 62.24 C ATOM 542 O GLU A 35 -24.233 -15.355 -3.226 1.00 42.03 O ATOM 543 CB GLU A 35 -22.935 -14.315 -5.553 1.00 23.24 C ATOM 544 CG GLU A 35 -21.681 -13.729 -6.177 1.00 2.13 C ATOM 545 CD GLU A 35 -21.776 -12.233 -6.382 1.00 4.23 C ATOM 546 OE1 GLU A 35 -21.066 -11.487 -5.675 1.00 34.41 O ATOM 547 OE2 GLU A 35 -22.568 -11.791 -7.237 1.00 45.52 O ATOM 0 H GLU A 35 -23.079 -16.293 -7.116 1.00 64.34 H new ATOM 0 HA GLU A 35 -21.829 -15.881 -4.581 1.00 50.30 H new ATOM 0 HB2 GLU A 35 -23.750 -14.254 -6.274 1.00 23.24 H new ATOM 0 HB3 GLU A 35 -23.221 -13.705 -4.696 1.00 23.24 H new ATOM 0 HG2 GLU A 35 -20.825 -13.951 -5.540 1.00 2.13 H new ATOM 0 HG3 GLU A 35 -21.498 -14.212 -7.137 1.00 2.13 H new ATOM 554 N GLN A 36 -24.519 -17.277 -4.344 1.00 75.42 N ATOM 555 CA GLN A 36 -25.612 -17.734 -3.509 1.00 2.41 C ATOM 556 C GLN A 36 -25.094 -18.560 -2.340 1.00 64.31 C ATOM 557 O GLN A 36 -25.788 -18.750 -1.343 1.00 20.13 O ATOM 558 CB GLN A 36 -26.588 -18.551 -4.341 1.00 3.45 C ATOM 559 CG GLN A 36 -27.478 -17.699 -5.238 1.00 1.55 C ATOM 560 CD GLN A 36 -28.188 -18.497 -6.317 1.00 2.22 C ATOM 561 OE1 GLN A 36 -29.302 -18.166 -6.723 1.00 43.33 O ATOM 562 NE2 GLN A 36 -27.538 -19.538 -6.812 1.00 31.13 N ATOM 0 H GLN A 36 -24.264 -17.923 -5.091 1.00 75.42 H new ATOM 0 HA GLN A 36 -26.128 -16.863 -3.104 1.00 2.41 H new ATOM 0 HB2 GLN A 36 -26.028 -19.254 -4.959 1.00 3.45 H new ATOM 0 HB3 GLN A 36 -27.216 -19.142 -3.675 1.00 3.45 H new ATOM 0 HG2 GLN A 36 -28.222 -17.192 -4.623 1.00 1.55 H new ATOM 0 HG3 GLN A 36 -26.872 -16.925 -5.709 1.00 1.55 H new ATOM 0 HE21 GLN A 36 -26.616 -19.782 -6.451 1.00 31.13 H new ATOM 0 HE22 GLN A 36 -27.959 -20.096 -7.555 1.00 31.13 H new ATOM 571 N TRP A 37 -23.868 -19.047 -2.463 1.00 71.15 N ATOM 572 CA TRP A 37 -23.249 -19.823 -1.398 1.00 31.00 C ATOM 573 C TRP A 37 -21.997 -19.124 -0.908 1.00 72.32 C ATOM 574 O TRP A 37 -21.167 -19.713 -0.216 1.00 13.44 O ATOM 575 CB TRP A 37 -22.927 -21.242 -1.874 1.00 72.42 C ATOM 576 CG TRP A 37 -24.156 -22.020 -2.226 1.00 1.32 C ATOM 577 CD1 TRP A 37 -24.889 -22.808 -1.391 1.00 31.52 C ATOM 578 CD2 TRP A 37 -24.806 -22.076 -3.500 1.00 42.43 C ATOM 579 NE1 TRP A 37 -25.955 -23.344 -2.063 1.00 35.40 N ATOM 580 CE2 TRP A 37 -25.926 -22.916 -3.360 1.00 72.04 C ATOM 581 CE3 TRP A 37 -24.549 -21.499 -4.742 1.00 53.34 C ATOM 582 CZ2 TRP A 37 -26.787 -23.191 -4.416 1.00 43.35 C ATOM 583 CZ3 TRP A 37 -25.406 -21.775 -5.788 1.00 22.42 C ATOM 584 CH2 TRP A 37 -26.512 -22.614 -5.621 1.00 40.43 C ATOM 0 H TRP A 37 -23.283 -18.919 -3.288 1.00 71.15 H new ATOM 0 HA TRP A 37 -23.953 -19.901 -0.570 1.00 31.00 H new ATOM 0 HB2 TRP A 37 -22.272 -21.190 -2.744 1.00 72.42 H new ATOM 0 HB3 TRP A 37 -22.379 -21.768 -1.093 1.00 72.42 H new ATOM 0 HD1 TRP A 37 -24.662 -22.984 -0.350 1.00 31.52 H new ATOM 0 HE1 TRP A 37 -26.658 -23.963 -1.660 1.00 35.40 H new ATOM 0 HE3 TRP A 37 -23.698 -20.850 -4.883 1.00 53.34 H new ATOM 0 HZ2 TRP A 37 -27.642 -23.838 -4.287 1.00 43.35 H new ATOM 0 HZ3 TRP A 37 -25.218 -21.334 -6.756 1.00 22.42 H new ATOM 0 HH2 TRP A 37 -27.161 -22.809 -6.462 1.00 40.43 H new ATOM 595 N GLY A 38 -21.874 -17.856 -1.268 1.00 1.24 N ATOM 596 CA GLY A 38 -20.744 -17.074 -0.805 1.00 13.44 C ATOM 597 C GLY A 38 -20.513 -15.812 -1.609 1.00 23.32 C ATOM 598 O GLY A 38 -21.337 -15.433 -2.440 1.00 43.01 O ATOM 0 H GLY A 38 -22.530 -17.356 -1.868 1.00 1.24 H new ATOM 0 HA2 GLY A 38 -20.901 -16.806 0.240 1.00 13.44 H new ATOM 0 HA3 GLY A 38 -19.846 -17.690 -0.844 1.00 13.44 H new ATOM 602 N THR A 39 -19.387 -15.168 -1.355 1.00 42.32 N ATOM 603 CA THR A 39 -19.023 -13.927 -2.020 1.00 13.42 C ATOM 604 C THR A 39 -17.889 -14.166 -3.012 1.00 35.55 C ATOM 605 O THR A 39 -16.840 -14.673 -2.634 1.00 54.14 O ATOM 606 CB THR A 39 -18.567 -12.886 -0.978 1.00 13.24 C ATOM 607 OG1 THR A 39 -19.656 -12.538 -0.113 1.00 31.14 O ATOM 608 CG2 THR A 39 -18.007 -11.641 -1.647 1.00 54.54 C ATOM 0 H THR A 39 -18.696 -15.492 -0.679 1.00 42.32 H new ATOM 0 HA THR A 39 -19.897 -13.556 -2.555 1.00 13.42 H new ATOM 0 HB THR A 39 -17.771 -13.334 -0.384 1.00 13.24 H new ATOM 0 HG1 THR A 39 -19.353 -11.878 0.545 1.00 31.14 H new ATOM 0 HG21 THR A 39 -17.695 -10.927 -0.884 1.00 54.54 H new ATOM 0 HG22 THR A 39 -17.149 -11.913 -2.262 1.00 54.54 H new ATOM 0 HG23 THR A 39 -18.775 -11.189 -2.275 1.00 54.54 H new ATOM 616 N LEU A 40 -18.084 -13.814 -4.279 1.00 41.40 N ATOM 617 CA LEU A 40 -17.023 -13.993 -5.256 1.00 73.24 C ATOM 618 C LEU A 40 -16.188 -12.735 -5.366 1.00 72.02 C ATOM 619 O LEU A 40 -16.644 -11.715 -5.888 1.00 54.35 O ATOM 620 CB LEU A 40 -17.580 -14.357 -6.631 1.00 72.14 C ATOM 621 CG LEU A 40 -18.704 -15.387 -6.629 1.00 41.54 C ATOM 622 CD1 LEU A 40 -18.977 -15.889 -8.029 1.00 61.41 C ATOM 623 CD2 LEU A 40 -18.401 -16.529 -5.675 1.00 52.21 C ATOM 0 H LEU A 40 -18.947 -13.412 -4.645 1.00 41.40 H new ATOM 0 HA LEU A 40 -16.398 -14.817 -4.910 1.00 73.24 H new ATOM 0 HB2 LEU A 40 -17.944 -13.448 -7.109 1.00 72.14 H new ATOM 0 HB3 LEU A 40 -16.764 -14.736 -7.246 1.00 72.14 H new ATOM 0 HG LEU A 40 -19.610 -14.898 -6.271 1.00 41.54 H new ATOM 0 HD11 LEU A 40 -19.783 -16.623 -8.002 1.00 61.41 H new ATOM 0 HD12 LEU A 40 -19.269 -15.053 -8.665 1.00 61.41 H new ATOM 0 HD13 LEU A 40 -18.077 -16.354 -8.431 1.00 61.41 H new ATOM 0 HD21 LEU A 40 -19.221 -17.247 -5.695 1.00 52.21 H new ATOM 0 HD22 LEU A 40 -17.478 -17.023 -5.980 1.00 52.21 H new ATOM 0 HD23 LEU A 40 -18.287 -16.138 -4.664 1.00 52.21 H new ATOM 635 N THR A 41 -14.967 -12.807 -4.867 1.00 31.14 N ATOM 636 CA THR A 41 -14.045 -11.698 -4.968 1.00 75.43 C ATOM 637 C THR A 41 -13.451 -11.659 -6.369 1.00 25.24 C ATOM 638 O THR A 41 -13.139 -10.592 -6.902 1.00 5.21 O ATOM 639 CB THR A 41 -12.919 -11.811 -3.924 1.00 70.03 C ATOM 640 OG1 THR A 41 -12.141 -12.988 -4.169 1.00 21.25 O ATOM 641 CG2 THR A 41 -13.495 -11.871 -2.518 1.00 53.22 C ATOM 0 H THR A 41 -14.593 -13.626 -4.387 1.00 31.14 H new ATOM 0 HA THR A 41 -14.592 -10.776 -4.773 1.00 75.43 H new ATOM 0 HB THR A 41 -12.284 -10.929 -4.009 1.00 70.03 H new ATOM 0 HG1 THR A 41 -11.426 -13.052 -3.502 1.00 21.25 H new ATOM 0 HG21 THR A 41 -12.683 -11.951 -1.795 1.00 53.22 H new ATOM 0 HG22 THR A 41 -14.069 -10.965 -2.321 1.00 53.22 H new ATOM 0 HG23 THR A 41 -14.147 -12.740 -2.429 1.00 53.22 H new ATOM 649 N ASP A 42 -13.330 -12.838 -6.972 1.00 71.40 N ATOM 650 CA ASP A 42 -12.815 -12.962 -8.329 1.00 1.51 C ATOM 651 C ASP A 42 -13.589 -14.007 -9.115 1.00 3.11 C ATOM 652 O ASP A 42 -13.281 -15.198 -9.068 1.00 33.01 O ATOM 653 CB ASP A 42 -11.326 -13.316 -8.336 1.00 61.20 C ATOM 654 CG ASP A 42 -10.441 -12.103 -8.146 1.00 64.22 C ATOM 655 OD1 ASP A 42 -10.581 -11.137 -8.925 1.00 54.22 O ATOM 656 OD2 ASP A 42 -9.592 -12.113 -7.228 1.00 63.41 O ATOM 0 H ASP A 42 -13.584 -13.725 -6.538 1.00 71.40 H new ATOM 0 HA ASP A 42 -12.943 -11.990 -8.806 1.00 1.51 H new ATOM 0 HB2 ASP A 42 -11.124 -14.037 -7.544 1.00 61.20 H new ATOM 0 HB3 ASP A 42 -11.075 -13.800 -9.280 1.00 61.20 H new ATOM 661 N CYS A 43 -14.609 -13.556 -9.814 1.00 14.03 N ATOM 662 CA CYS A 43 -15.389 -14.416 -10.687 1.00 13.44 C ATOM 663 C CYS A 43 -15.104 -14.048 -12.136 1.00 63.41 C ATOM 664 O CYS A 43 -15.010 -12.867 -12.463 1.00 53.13 O ATOM 665 CB CYS A 43 -16.870 -14.251 -10.373 1.00 30.22 C ATOM 666 SG CYS A 43 -17.363 -12.530 -10.127 1.00 65.23 S ATOM 0 H CYS A 43 -14.923 -12.586 -9.795 1.00 14.03 H new ATOM 0 HA CYS A 43 -15.114 -15.459 -10.527 1.00 13.44 H new ATOM 0 HB2 CYS A 43 -17.456 -14.676 -11.188 1.00 30.22 H new ATOM 0 HB3 CYS A 43 -17.110 -14.822 -9.476 1.00 30.22 H new ATOM 0 HG CYS A 43 -16.682 -11.765 -10.927 1.00 65.23 H new ATOM 672 N VAL A 44 -14.946 -15.044 -12.993 1.00 43.43 N ATOM 673 CA VAL A 44 -14.578 -14.788 -14.377 1.00 14.45 C ATOM 674 C VAL A 44 -14.821 -16.026 -15.238 1.00 51.30 C ATOM 675 O VAL A 44 -14.689 -17.153 -14.767 1.00 22.41 O ATOM 676 CB VAL A 44 -13.091 -14.359 -14.472 1.00 23.15 C ATOM 677 CG1 VAL A 44 -12.168 -15.490 -14.039 1.00 75.54 C ATOM 678 CG2 VAL A 44 -12.740 -13.880 -15.873 1.00 35.54 C ATOM 0 H VAL A 44 -15.065 -16.029 -12.758 1.00 43.43 H new ATOM 0 HA VAL A 44 -15.203 -13.977 -14.750 1.00 14.45 H new ATOM 0 HB VAL A 44 -12.946 -13.522 -13.789 1.00 23.15 H new ATOM 0 HG11 VAL A 44 -11.131 -15.163 -14.115 1.00 75.54 H new ATOM 0 HG12 VAL A 44 -12.387 -15.764 -13.007 1.00 75.54 H new ATOM 0 HG13 VAL A 44 -12.324 -16.354 -14.685 1.00 75.54 H new ATOM 0 HG21 VAL A 44 -11.691 -13.587 -15.905 1.00 35.54 H new ATOM 0 HG22 VAL A 44 -12.914 -14.685 -16.587 1.00 35.54 H new ATOM 0 HG23 VAL A 44 -13.364 -13.024 -16.132 1.00 35.54 H new ATOM 688 N VAL A 45 -15.196 -15.814 -16.485 1.00 22.20 N ATOM 689 CA VAL A 45 -15.405 -16.915 -17.413 1.00 32.20 C ATOM 690 C VAL A 45 -14.423 -16.819 -18.569 1.00 63.43 C ATOM 691 O VAL A 45 -13.906 -15.742 -18.864 1.00 63.21 O ATOM 692 CB VAL A 45 -16.846 -16.941 -17.959 1.00 34.20 C ATOM 693 CG1 VAL A 45 -17.830 -17.124 -16.822 1.00 74.43 C ATOM 694 CG2 VAL A 45 -17.158 -15.677 -18.742 1.00 34.52 C ATOM 0 H VAL A 45 -15.363 -14.889 -16.882 1.00 22.20 H new ATOM 0 HA VAL A 45 -15.238 -17.841 -16.863 1.00 32.20 H new ATOM 0 HB VAL A 45 -16.939 -17.785 -18.642 1.00 34.20 H new ATOM 0 HG11 VAL A 45 -18.845 -17.141 -17.219 1.00 74.43 H new ATOM 0 HG12 VAL A 45 -17.624 -18.064 -16.311 1.00 74.43 H new ATOM 0 HG13 VAL A 45 -17.730 -16.298 -16.117 1.00 74.43 H new ATOM 0 HG21 VAL A 45 -18.181 -15.723 -19.115 1.00 34.52 H new ATOM 0 HG22 VAL A 45 -17.048 -14.809 -18.091 1.00 34.52 H new ATOM 0 HG23 VAL A 45 -16.469 -15.590 -19.582 1.00 34.52 H new ATOM 704 N MET A 46 -14.154 -17.940 -19.216 1.00 32.21 N ATOM 705 CA MET A 46 -13.247 -17.949 -20.350 1.00 42.44 C ATOM 706 C MET A 46 -14.047 -17.988 -21.638 1.00 14.34 C ATOM 707 O MET A 46 -15.012 -18.740 -21.751 1.00 33.33 O ATOM 708 CB MET A 46 -12.295 -19.147 -20.286 1.00 73.03 C ATOM 709 CG MET A 46 -11.494 -19.231 -19.000 1.00 4.51 C ATOM 710 SD MET A 46 -10.467 -17.779 -18.724 1.00 22.53 S ATOM 711 CE MET A 46 -9.715 -18.217 -17.161 1.00 54.41 C ATOM 0 H MET A 46 -14.548 -18.850 -18.977 1.00 32.21 H new ATOM 0 HA MET A 46 -12.646 -17.040 -20.320 1.00 42.44 H new ATOM 0 HB2 MET A 46 -12.873 -20.064 -20.403 1.00 73.03 H new ATOM 0 HB3 MET A 46 -11.606 -19.096 -21.129 1.00 73.03 H new ATOM 0 HG2 MET A 46 -12.177 -19.353 -18.159 1.00 4.51 H new ATOM 0 HG3 MET A 46 -10.861 -20.118 -19.028 1.00 4.51 H new ATOM 0 HE1 MET A 46 -8.872 -17.555 -16.965 1.00 54.41 H new ATOM 0 HE2 MET A 46 -10.450 -18.115 -16.362 1.00 54.41 H new ATOM 0 HE3 MET A 46 -9.365 -19.248 -17.202 1.00 54.41 H new ATOM 856 N ARG A 55 -16.496 -20.362 -23.345 1.00 12.04 N ATOM 857 CA ARG A 55 -15.851 -21.593 -23.773 1.00 74.25 C ATOM 858 C ARG A 55 -16.376 -22.798 -23.000 1.00 1.22 C ATOM 859 O ARG A 55 -15.758 -23.858 -22.997 1.00 62.41 O ATOM 860 CB ARG A 55 -14.332 -21.491 -23.616 1.00 61.42 C ATOM 861 CG ARG A 55 -13.598 -21.406 -24.946 1.00 1.21 C ATOM 862 CD ARG A 55 -12.096 -21.590 -24.785 1.00 21.43 C ATOM 863 NE ARG A 55 -11.439 -20.427 -24.192 1.00 54.11 N ATOM 864 CZ ARG A 55 -10.263 -20.479 -23.563 1.00 64.42 C ATOM 865 NH1 ARG A 55 -9.650 -21.646 -23.393 1.00 54.25 N ATOM 866 NH2 ARG A 55 -9.703 -19.363 -23.110 1.00 13.13 N ATOM 0 HA ARG A 55 -16.090 -21.736 -24.827 1.00 74.25 H new ATOM 0 HB2 ARG A 55 -14.093 -20.611 -23.019 1.00 61.42 H new ATOM 0 HB3 ARG A 55 -13.971 -22.358 -23.064 1.00 61.42 H new ATOM 0 HG2 ARG A 55 -13.985 -22.168 -25.622 1.00 1.21 H new ATOM 0 HG3 ARG A 55 -13.797 -20.439 -25.408 1.00 1.21 H new ATOM 0 HD2 ARG A 55 -11.907 -22.464 -24.162 1.00 21.43 H new ATOM 0 HD3 ARG A 55 -11.654 -21.792 -25.760 1.00 21.43 H new ATOM 0 HE ARG A 55 -11.906 -19.523 -24.263 1.00 54.11 H new ATOM 0 HH11 ARG A 55 -10.078 -22.503 -23.743 1.00 54.25 H new ATOM 0 HH12 ARG A 55 -8.751 -21.685 -22.912 1.00 54.25 H new ATOM 0 HH21 ARG A 55 -10.172 -18.467 -23.243 1.00 13.13 H new ATOM 0 HH22 ARG A 55 -8.804 -19.402 -22.629 1.00 13.13 H new ATOM 880 N GLY A 56 -17.517 -22.633 -22.348 1.00 43.04 N ATOM 881 CA GLY A 56 -18.144 -23.750 -21.673 1.00 12.11 C ATOM 882 C GLY A 56 -17.530 -24.043 -20.320 1.00 41.42 C ATOM 883 O GLY A 56 -17.712 -25.136 -19.776 1.00 3.31 O ATOM 0 H GLY A 56 -18.019 -21.748 -22.274 1.00 43.04 H new ATOM 0 HA2 GLY A 56 -19.206 -23.541 -21.546 1.00 12.11 H new ATOM 0 HA3 GLY A 56 -18.066 -24.637 -22.301 1.00 12.11 H new ATOM 887 N PHE A 57 -16.814 -23.070 -19.768 1.00 33.35 N ATOM 888 CA PHE A 57 -16.211 -23.218 -18.449 1.00 33.02 C ATOM 889 C PHE A 57 -15.727 -21.863 -17.928 1.00 62.22 C ATOM 890 O PHE A 57 -15.502 -20.929 -18.705 1.00 12.33 O ATOM 891 CB PHE A 57 -15.061 -24.239 -18.479 1.00 11.00 C ATOM 892 CG PHE A 57 -13.775 -23.721 -19.058 1.00 22.21 C ATOM 893 CD1 PHE A 57 -12.642 -23.645 -18.270 1.00 22.12 C ATOM 894 CD2 PHE A 57 -13.703 -23.299 -20.375 1.00 55.03 C ATOM 895 CE1 PHE A 57 -11.458 -23.155 -18.782 1.00 42.55 C ATOM 896 CE2 PHE A 57 -12.520 -22.812 -20.895 1.00 62.42 C ATOM 897 CZ PHE A 57 -11.397 -22.739 -20.098 1.00 35.01 C ATOM 0 H PHE A 57 -16.637 -22.170 -20.214 1.00 33.35 H new ATOM 0 HA PHE A 57 -16.972 -23.596 -17.766 1.00 33.02 H new ATOM 0 HB2 PHE A 57 -14.873 -24.583 -17.462 1.00 11.00 H new ATOM 0 HB3 PHE A 57 -15.379 -25.107 -19.056 1.00 11.00 H new ATOM 0 HD1 PHE A 57 -12.684 -23.973 -17.242 1.00 22.12 H new ATOM 0 HD2 PHE A 57 -14.581 -23.351 -21.002 1.00 55.03 H new ATOM 0 HE1 PHE A 57 -10.581 -23.097 -18.155 1.00 42.55 H new ATOM 0 HE2 PHE A 57 -12.474 -22.489 -21.924 1.00 62.42 H new ATOM 0 HZ PHE A 57 -10.471 -22.357 -20.502 1.00 35.01 H new ATOM 907 N GLY A 58 -15.584 -21.759 -16.613 1.00 21.42 N ATOM 908 CA GLY A 58 -15.174 -20.515 -15.993 1.00 63.11 C ATOM 909 C GLY A 58 -14.648 -20.728 -14.588 1.00 14.40 C ATOM 910 O GLY A 58 -14.484 -21.865 -14.147 1.00 11.31 O ATOM 0 H GLY A 58 -15.747 -22.524 -15.959 1.00 21.42 H new ATOM 0 HA2 GLY A 58 -14.402 -20.044 -16.602 1.00 63.11 H new ATOM 0 HA3 GLY A 58 -16.020 -19.828 -15.963 1.00 63.11 H new ATOM 914 N PHE A 59 -14.390 -19.638 -13.883 1.00 12.24 N ATOM 915 CA PHE A 59 -13.829 -19.708 -12.543 1.00 35.12 C ATOM 916 C PHE A 59 -14.579 -18.804 -11.575 1.00 44.32 C ATOM 917 O PHE A 59 -15.133 -17.770 -11.955 1.00 42.13 O ATOM 918 CB PHE A 59 -12.350 -19.325 -12.555 1.00 75.20 C ATOM 919 CG PHE A 59 -11.477 -20.312 -13.271 1.00 13.24 C ATOM 920 CD1 PHE A 59 -10.978 -21.416 -12.604 1.00 53.53 C ATOM 921 CD2 PHE A 59 -11.149 -20.133 -14.605 1.00 5.24 C ATOM 922 CE1 PHE A 59 -10.168 -22.324 -13.252 1.00 11.20 C ATOM 923 CE2 PHE A 59 -10.341 -21.041 -15.261 1.00 72.52 C ATOM 924 CZ PHE A 59 -9.848 -22.137 -14.583 1.00 31.22 C ATOM 0 H PHE A 59 -14.561 -18.690 -14.218 1.00 12.24 H new ATOM 0 HA PHE A 59 -13.932 -20.739 -12.204 1.00 35.12 H new ATOM 0 HB2 PHE A 59 -12.241 -18.348 -13.026 1.00 75.20 H new ATOM 0 HB3 PHE A 59 -12.002 -19.224 -11.527 1.00 75.20 H new ATOM 0 HD1 PHE A 59 -11.226 -21.568 -11.564 1.00 53.53 H new ATOM 0 HD2 PHE A 59 -11.529 -19.274 -15.138 1.00 5.24 H new ATOM 0 HE1 PHE A 59 -9.784 -23.181 -12.719 1.00 11.20 H new ATOM 0 HE2 PHE A 59 -10.096 -20.893 -16.302 1.00 72.52 H new ATOM 0 HZ PHE A 59 -9.213 -22.847 -15.092 1.00 31.22 H new ATOM 934 N VAL A 60 -14.571 -19.206 -10.321 1.00 52.33 N ATOM 935 CA VAL A 60 -15.265 -18.493 -9.262 1.00 70.35 C ATOM 936 C VAL A 60 -14.455 -18.551 -7.970 1.00 11.43 C ATOM 937 O VAL A 60 -14.325 -19.601 -7.343 1.00 53.43 O ATOM 938 CB VAL A 60 -16.692 -19.053 -9.058 1.00 22.53 C ATOM 939 CG1 VAL A 60 -16.735 -20.544 -9.282 1.00 25.40 C ATOM 940 CG2 VAL A 60 -17.207 -18.730 -7.679 1.00 34.14 C ATOM 0 H VAL A 60 -14.080 -20.042 -10.003 1.00 52.33 H new ATOM 0 HA VAL A 60 -15.365 -17.448 -9.555 1.00 70.35 H new ATOM 0 HB VAL A 60 -17.335 -18.574 -9.796 1.00 22.53 H new ATOM 0 HG11 VAL A 60 -17.752 -20.905 -9.131 1.00 25.40 H new ATOM 0 HG12 VAL A 60 -16.418 -20.768 -10.300 1.00 25.40 H new ATOM 0 HG13 VAL A 60 -16.066 -21.037 -8.577 1.00 25.40 H new ATOM 0 HG21 VAL A 60 -18.212 -19.135 -7.562 1.00 34.14 H new ATOM 0 HG22 VAL A 60 -16.548 -19.172 -6.932 1.00 34.14 H new ATOM 0 HG23 VAL A 60 -17.234 -17.649 -7.545 1.00 34.14 H new ATOM 950 N THR A 61 -13.870 -17.423 -7.610 1.00 13.41 N ATOM 951 CA THR A 61 -13.072 -17.329 -6.402 1.00 74.12 C ATOM 952 C THR A 61 -13.884 -16.684 -5.289 1.00 14.44 C ATOM 953 O THR A 61 -14.255 -15.511 -5.379 1.00 10.25 O ATOM 954 CB THR A 61 -11.792 -16.503 -6.645 1.00 44.23 C ATOM 955 OG1 THR A 61 -11.153 -16.940 -7.852 1.00 3.43 O ATOM 956 CG2 THR A 61 -10.822 -16.640 -5.479 1.00 64.34 C ATOM 0 H THR A 61 -13.934 -16.554 -8.141 1.00 13.41 H new ATOM 0 HA THR A 61 -12.785 -18.339 -6.110 1.00 74.12 H new ATOM 0 HB THR A 61 -12.077 -15.455 -6.737 1.00 44.23 H new ATOM 0 HG1 THR A 61 -11.607 -16.543 -8.625 1.00 3.43 H new ATOM 0 HG21 THR A 61 -9.929 -16.047 -5.677 1.00 64.34 H new ATOM 0 HG22 THR A 61 -11.298 -16.284 -4.566 1.00 64.34 H new ATOM 0 HG23 THR A 61 -10.543 -17.687 -5.358 1.00 64.34 H new ATOM 964 N TYR A 62 -14.174 -17.459 -4.258 1.00 61.31 N ATOM 965 CA TYR A 62 -14.943 -16.972 -3.123 1.00 23.11 C ATOM 966 C TYR A 62 -14.058 -16.177 -2.173 1.00 54.34 C ATOM 967 O TYR A 62 -12.839 -16.116 -2.349 1.00 20.14 O ATOM 968 CB TYR A 62 -15.584 -18.139 -2.377 1.00 52.24 C ATOM 969 CG TYR A 62 -16.782 -18.738 -3.078 1.00 23.13 C ATOM 970 CD1 TYR A 62 -18.068 -18.338 -2.743 1.00 44.33 C ATOM 971 CD2 TYR A 62 -16.633 -19.708 -4.058 1.00 33.12 C ATOM 972 CE1 TYR A 62 -19.171 -18.890 -3.363 1.00 31.24 C ATOM 973 CE2 TYR A 62 -17.732 -20.258 -4.685 1.00 70.44 C ATOM 974 CZ TYR A 62 -18.997 -19.848 -4.332 1.00 2.54 C ATOM 975 OH TYR A 62 -20.095 -20.396 -4.951 1.00 40.40 O ATOM 0 H TYR A 62 -13.887 -18.435 -4.183 1.00 61.31 H new ATOM 0 HA TYR A 62 -15.727 -16.316 -3.501 1.00 23.11 H new ATOM 0 HB2 TYR A 62 -14.835 -18.918 -2.231 1.00 52.24 H new ATOM 0 HB3 TYR A 62 -15.888 -17.800 -1.387 1.00 52.24 H new ATOM 0 HD1 TYR A 62 -18.208 -17.582 -1.984 1.00 44.33 H new ATOM 0 HD2 TYR A 62 -15.642 -20.038 -4.334 1.00 33.12 H new ATOM 0 HE1 TYR A 62 -20.165 -18.570 -3.088 1.00 31.24 H new ATOM 0 HE2 TYR A 62 -17.600 -21.008 -5.451 1.00 70.44 H new ATOM 0 HH TYR A 62 -20.880 -19.834 -4.782 1.00 40.40 H new ATOM 985 N ALA A 63 -14.674 -15.582 -1.161 1.00 63.13 N ATOM 986 CA ALA A 63 -13.951 -14.759 -0.209 1.00 34.44 C ATOM 987 C ALA A 63 -13.150 -15.634 0.739 1.00 75.44 C ATOM 988 O ALA A 63 -12.048 -15.276 1.156 1.00 10.01 O ATOM 989 CB ALA A 63 -14.913 -13.867 0.562 1.00 75.01 C ATOM 0 H ALA A 63 -15.675 -15.656 -0.980 1.00 63.13 H new ATOM 0 HA ALA A 63 -13.258 -14.119 -0.755 1.00 34.44 H new ATOM 0 HB1 ALA A 63 -14.354 -13.257 1.271 1.00 75.01 H new ATOM 0 HB2 ALA A 63 -15.445 -13.219 -0.134 1.00 75.01 H new ATOM 0 HB3 ALA A 63 -15.630 -14.486 1.102 1.00 75.01 H new ATOM 995 N THR A 64 -13.704 -16.799 1.052 1.00 1.45 N ATOM 996 CA THR A 64 -13.052 -17.741 1.940 1.00 0.15 C ATOM 997 C THR A 64 -13.395 -19.175 1.534 1.00 60.31 C ATOM 998 O THR A 64 -14.395 -19.419 0.854 1.00 61.40 O ATOM 999 CB THR A 64 -13.432 -17.479 3.419 1.00 21.13 C ATOM 1000 OG1 THR A 64 -12.898 -18.500 4.275 1.00 22.11 O ATOM 1001 CG2 THR A 64 -14.940 -17.394 3.596 1.00 1.03 C ATOM 0 H THR A 64 -14.609 -17.111 0.699 1.00 1.45 H new ATOM 0 HA THR A 64 -11.975 -17.602 1.850 1.00 0.15 H new ATOM 0 HB THR A 64 -12.997 -16.520 3.700 1.00 21.13 H new ATOM 0 HG1 THR A 64 -13.149 -18.313 5.204 1.00 22.11 H new ATOM 0 HG21 THR A 64 -15.173 -17.210 4.645 1.00 1.03 H new ATOM 0 HG22 THR A 64 -15.332 -16.579 2.988 1.00 1.03 H new ATOM 0 HG23 THR A 64 -15.397 -18.333 3.282 1.00 1.03 H new ATOM 1009 N VAL A 65 -12.549 -20.107 1.949 1.00 34.44 N ATOM 1010 CA VAL A 65 -12.656 -21.512 1.563 1.00 42.25 C ATOM 1011 C VAL A 65 -14.012 -22.129 1.933 1.00 31.23 C ATOM 1012 O VAL A 65 -14.521 -22.993 1.213 1.00 52.33 O ATOM 1013 CB VAL A 65 -11.513 -22.330 2.204 1.00 51.35 C ATOM 1014 CG1 VAL A 65 -11.534 -22.194 3.721 1.00 2.41 C ATOM 1015 CG2 VAL A 65 -11.582 -23.793 1.790 1.00 64.41 C ATOM 0 H VAL A 65 -11.762 -19.911 2.568 1.00 34.44 H new ATOM 0 HA VAL A 65 -12.573 -21.548 0.477 1.00 42.25 H new ATOM 0 HB VAL A 65 -10.569 -21.925 1.839 1.00 51.35 H new ATOM 0 HG11 VAL A 65 -10.720 -22.779 4.150 1.00 2.41 H new ATOM 0 HG12 VAL A 65 -11.411 -21.146 3.994 1.00 2.41 H new ATOM 0 HG13 VAL A 65 -12.486 -22.560 4.106 1.00 2.41 H new ATOM 0 HG21 VAL A 65 -10.765 -24.342 2.257 1.00 64.41 H new ATOM 0 HG22 VAL A 65 -12.534 -24.217 2.110 1.00 64.41 H new ATOM 0 HG23 VAL A 65 -11.497 -23.869 0.706 1.00 64.41 H new ATOM 1025 N GLU A 66 -14.611 -21.673 3.034 1.00 34.11 N ATOM 1026 CA GLU A 66 -15.873 -22.247 3.503 1.00 33.12 C ATOM 1027 C GLU A 66 -16.989 -22.027 2.489 1.00 25.04 C ATOM 1028 O GLU A 66 -17.923 -22.825 2.396 1.00 13.32 O ATOM 1029 CB GLU A 66 -16.278 -21.659 4.856 1.00 25.23 C ATOM 1030 CG GLU A 66 -16.579 -20.173 4.818 1.00 43.31 C ATOM 1031 CD GLU A 66 -17.094 -19.654 6.141 1.00 42.23 C ATOM 1032 OE1 GLU A 66 -18.320 -19.449 6.267 1.00 25.33 O ATOM 1033 OE2 GLU A 66 -16.280 -19.457 7.062 1.00 70.41 O ATOM 0 H GLU A 66 -14.247 -20.916 3.613 1.00 34.11 H new ATOM 0 HA GLU A 66 -15.716 -23.319 3.621 1.00 33.12 H new ATOM 0 HB2 GLU A 66 -17.158 -22.188 5.222 1.00 25.23 H new ATOM 0 HB3 GLU A 66 -15.477 -21.839 5.573 1.00 25.23 H new ATOM 0 HG2 GLU A 66 -15.675 -19.629 4.545 1.00 43.31 H new ATOM 0 HG3 GLU A 66 -17.317 -19.975 4.041 1.00 43.31 H new ATOM 1040 N GLU A 67 -16.879 -20.954 1.721 1.00 11.31 N ATOM 1041 CA GLU A 67 -17.881 -20.628 0.726 1.00 71.40 C ATOM 1042 C GLU A 67 -17.753 -21.568 -0.466 1.00 35.40 C ATOM 1043 O GLU A 67 -18.750 -22.032 -1.018 1.00 53.30 O ATOM 1044 CB GLU A 67 -17.736 -19.179 0.284 1.00 72.11 C ATOM 1045 CG GLU A 67 -17.608 -18.201 1.434 1.00 73.24 C ATOM 1046 CD GLU A 67 -17.775 -16.766 0.985 1.00 34.40 C ATOM 1047 OE1 GLU A 67 -16.953 -16.295 0.181 1.00 10.13 O ATOM 1048 OE2 GLU A 67 -18.733 -16.105 1.433 1.00 13.43 O ATOM 0 H GLU A 67 -16.103 -20.294 1.770 1.00 11.31 H new ATOM 0 HA GLU A 67 -18.871 -20.753 1.165 1.00 71.40 H new ATOM 0 HB2 GLU A 67 -16.858 -19.090 -0.356 1.00 72.11 H new ATOM 0 HB3 GLU A 67 -18.601 -18.904 -0.320 1.00 72.11 H new ATOM 0 HG2 GLU A 67 -18.357 -18.433 2.191 1.00 73.24 H new ATOM 0 HG3 GLU A 67 -16.632 -18.322 1.904 1.00 73.24 H new ATOM 1055 N VAL A 68 -16.510 -21.855 -0.847 1.00 64.40 N ATOM 1056 CA VAL A 68 -16.235 -22.856 -1.872 1.00 72.14 C ATOM 1057 C VAL A 68 -16.822 -24.195 -1.453 1.00 40.00 C ATOM 1058 O VAL A 68 -17.479 -24.878 -2.240 1.00 60.32 O ATOM 1059 CB VAL A 68 -14.715 -23.012 -2.115 1.00 51.50 C ATOM 1060 CG1 VAL A 68 -14.400 -24.298 -2.872 1.00 42.51 C ATOM 1061 CG2 VAL A 68 -14.186 -21.817 -2.882 1.00 42.04 C ATOM 0 H VAL A 68 -15.678 -21.408 -0.461 1.00 64.40 H new ATOM 0 HA VAL A 68 -16.697 -22.522 -2.801 1.00 72.14 H new ATOM 0 HB VAL A 68 -14.224 -23.065 -1.143 1.00 51.50 H new ATOM 0 HG11 VAL A 68 -13.324 -24.375 -3.026 1.00 42.51 H new ATOM 0 HG12 VAL A 68 -14.747 -25.155 -2.294 1.00 42.51 H new ATOM 0 HG13 VAL A 68 -14.904 -24.284 -3.838 1.00 42.51 H new ATOM 0 HG21 VAL A 68 -13.115 -21.936 -3.048 1.00 42.04 H new ATOM 0 HG22 VAL A 68 -14.697 -21.746 -3.842 1.00 42.04 H new ATOM 0 HG23 VAL A 68 -14.365 -20.908 -2.308 1.00 42.04 H new ATOM 1071 N ASP A 69 -16.596 -24.544 -0.195 1.00 11.53 N ATOM 1072 CA ASP A 69 -17.112 -25.783 0.364 1.00 41.14 C ATOM 1073 C ASP A 69 -18.638 -25.815 0.300 1.00 40.44 C ATOM 1074 O ASP A 69 -19.230 -26.836 -0.040 1.00 51.34 O ATOM 1075 CB ASP A 69 -16.642 -25.948 1.810 1.00 63.11 C ATOM 1076 CG ASP A 69 -17.205 -27.192 2.462 1.00 33.32 C ATOM 1077 OD1 ASP A 69 -16.665 -28.294 2.221 1.00 50.14 O ATOM 1078 OD2 ASP A 69 -18.190 -27.071 3.216 1.00 70.33 O ATOM 0 H ASP A 69 -16.055 -23.981 0.461 1.00 11.53 H new ATOM 0 HA ASP A 69 -16.726 -26.611 -0.230 1.00 41.14 H new ATOM 0 HB2 ASP A 69 -15.553 -25.991 1.832 1.00 63.11 H new ATOM 0 HB3 ASP A 69 -16.939 -25.073 2.388 1.00 63.11 H new ATOM 1083 N ALA A 70 -19.268 -24.685 0.597 1.00 33.22 N ATOM 1084 CA ALA A 70 -20.724 -24.597 0.590 1.00 51.53 C ATOM 1085 C ALA A 70 -21.276 -24.841 -0.809 1.00 31.02 C ATOM 1086 O ALA A 70 -22.308 -25.491 -0.976 1.00 41.14 O ATOM 1087 CB ALA A 70 -21.177 -23.245 1.113 1.00 43.45 C ATOM 0 H ALA A 70 -18.794 -23.817 0.846 1.00 33.22 H new ATOM 0 HA ALA A 70 -21.115 -25.372 1.249 1.00 51.53 H new ATOM 0 HB1 ALA A 70 -22.266 -23.196 1.101 1.00 43.45 H new ATOM 0 HB2 ALA A 70 -20.819 -23.111 2.134 1.00 43.45 H new ATOM 0 HB3 ALA A 70 -20.772 -22.456 0.480 1.00 43.45 H new ATOM 1093 N ALA A 71 -20.572 -24.328 -1.813 1.00 31.33 N ATOM 1094 CA ALA A 71 -20.963 -24.532 -3.200 1.00 24.54 C ATOM 1095 C ALA A 71 -20.768 -25.989 -3.598 1.00 55.40 C ATOM 1096 O ALA A 71 -21.538 -26.538 -4.385 1.00 12.42 O ATOM 1097 CB ALA A 71 -20.168 -23.617 -4.117 1.00 11.35 C ATOM 0 H ALA A 71 -19.728 -23.768 -1.690 1.00 31.33 H new ATOM 0 HA ALA A 71 -22.020 -24.285 -3.301 1.00 24.54 H new ATOM 0 HB1 ALA A 71 -20.473 -23.783 -5.150 1.00 11.35 H new ATOM 0 HB2 ALA A 71 -20.355 -22.578 -3.846 1.00 11.35 H new ATOM 0 HB3 ALA A 71 -19.105 -23.833 -4.014 1.00 11.35 H new ATOM 1103 N MET A 72 -19.746 -26.619 -3.033 1.00 63.42 N ATOM 1104 CA MET A 72 -19.487 -28.028 -3.293 1.00 61.53 C ATOM 1105 C MET A 72 -20.566 -28.897 -2.656 1.00 31.12 C ATOM 1106 O MET A 72 -20.935 -29.937 -3.193 1.00 42.10 O ATOM 1107 CB MET A 72 -18.114 -28.445 -2.771 1.00 4.11 C ATOM 1108 CG MET A 72 -16.948 -27.742 -3.445 1.00 71.44 C ATOM 1109 SD MET A 72 -15.398 -28.622 -3.195 1.00 31.05 S ATOM 1110 CE MET A 72 -14.391 -27.893 -4.478 1.00 61.24 C ATOM 0 H MET A 72 -19.085 -26.178 -2.394 1.00 63.42 H new ATOM 0 HA MET A 72 -19.503 -28.172 -4.373 1.00 61.53 H new ATOM 0 HB2 MET A 72 -18.071 -28.249 -1.700 1.00 4.11 H new ATOM 0 HB3 MET A 72 -18.000 -29.521 -2.903 1.00 4.11 H new ATOM 0 HG2 MET A 72 -17.146 -27.653 -4.513 1.00 71.44 H new ATOM 0 HG3 MET A 72 -16.858 -26.729 -3.052 1.00 71.44 H new ATOM 0 HE1 MET A 72 -13.511 -28.513 -4.646 1.00 61.24 H new ATOM 0 HE2 MET A 72 -14.969 -27.826 -5.400 1.00 61.24 H new ATOM 0 HE3 MET A 72 -14.078 -26.895 -4.172 1.00 61.24 H new ATOM 1120 N ASN A 73 -21.073 -28.462 -1.511 1.00 10.34 N ATOM 1121 CA ASN A 73 -22.184 -29.154 -0.859 1.00 52.03 C ATOM 1122 C ASN A 73 -23.470 -28.959 -1.653 1.00 24.54 C ATOM 1123 O ASN A 73 -24.431 -29.712 -1.500 1.00 11.32 O ATOM 1124 CB ASN A 73 -22.391 -28.649 0.575 1.00 51.21 C ATOM 1125 CG ASN A 73 -21.386 -29.210 1.565 1.00 41.40 C ATOM 1126 OD1 ASN A 73 -21.582 -30.295 2.116 1.00 12.14 O ATOM 1127 ND2 ASN A 73 -20.321 -28.471 1.821 1.00 72.40 N ATOM 0 H ASN A 73 -20.737 -27.637 -1.014 1.00 10.34 H new ATOM 0 HA ASN A 73 -21.934 -30.214 -0.822 1.00 52.03 H new ATOM 0 HB2 ASN A 73 -22.327 -27.561 0.581 1.00 51.21 H new ATOM 0 HB3 ASN A 73 -23.397 -28.911 0.903 1.00 51.21 H new ATOM 0 HD21 ASN A 73 -19.626 -28.793 2.495 1.00 72.40 H new ATOM 0 HD22 ASN A 73 -20.193 -27.578 1.345 1.00 72.40 H new ATOM 1134 N ALA A 74 -23.471 -27.953 -2.513 1.00 43.25 N ATOM 1135 CA ALA A 74 -24.653 -27.603 -3.284 1.00 61.42 C ATOM 1136 C ALA A 74 -24.661 -28.287 -4.649 1.00 71.14 C ATOM 1137 O ALA A 74 -25.542 -28.034 -5.471 1.00 13.14 O ATOM 1138 CB ALA A 74 -24.730 -26.095 -3.450 1.00 11.32 C ATOM 0 H ALA A 74 -22.661 -27.361 -2.695 1.00 43.25 H new ATOM 0 HA ALA A 74 -25.528 -27.954 -2.737 1.00 61.42 H new ATOM 0 HB1 ALA A 74 -25.617 -25.837 -4.028 1.00 11.32 H new ATOM 0 HB2 ALA A 74 -24.787 -25.623 -2.469 1.00 11.32 H new ATOM 0 HB3 ALA A 74 -23.841 -25.741 -3.972 1.00 11.32 H new ATOM 1144 N ARG A 75 -23.683 -29.154 -4.896 1.00 34.01 N ATOM 1145 CA ARG A 75 -23.628 -29.882 -6.155 1.00 32.35 C ATOM 1146 C ARG A 75 -24.581 -31.077 -6.108 1.00 15.41 C ATOM 1147 O ARG A 75 -24.910 -31.565 -5.026 1.00 22.23 O ATOM 1148 CB ARG A 75 -22.196 -30.339 -6.473 1.00 4.33 C ATOM 1149 CG ARG A 75 -21.699 -31.493 -5.620 1.00 0.22 C ATOM 1150 CD ARG A 75 -20.260 -31.859 -5.959 1.00 64.33 C ATOM 1151 NE ARG A 75 -20.108 -32.297 -7.348 1.00 34.21 N ATOM 1152 CZ ARG A 75 -19.137 -33.111 -7.765 1.00 45.23 C ATOM 1153 NH1 ARG A 75 -18.231 -33.569 -6.904 1.00 45.24 N ATOM 1154 NH2 ARG A 75 -19.072 -33.465 -9.046 1.00 71.14 N ATOM 0 H ARG A 75 -22.926 -29.367 -4.247 1.00 34.01 H new ATOM 0 HA ARG A 75 -23.942 -29.211 -6.954 1.00 32.35 H new ATOM 0 HB2 ARG A 75 -22.146 -30.631 -7.522 1.00 4.33 H new ATOM 0 HB3 ARG A 75 -21.521 -29.493 -6.345 1.00 4.33 H new ATOM 0 HG2 ARG A 75 -21.768 -31.224 -4.566 1.00 0.22 H new ATOM 0 HG3 ARG A 75 -22.341 -32.361 -5.770 1.00 0.22 H new ATOM 0 HD2 ARG A 75 -19.617 -30.997 -5.780 1.00 64.33 H new ATOM 0 HD3 ARG A 75 -19.923 -32.652 -5.292 1.00 64.33 H new ATOM 0 HE ARG A 75 -20.783 -31.961 -8.035 1.00 34.21 H new ATOM 0 HH11 ARG A 75 -18.278 -33.298 -5.922 1.00 45.24 H new ATOM 0 HH12 ARG A 75 -17.490 -34.191 -7.226 1.00 45.24 H new ATOM 0 HH21 ARG A 75 -19.764 -33.114 -9.708 1.00 71.14 H new ATOM 0 HH22 ARG A 75 -18.330 -34.087 -9.366 1.00 71.14 H new ATOM 1168 N PRO A 76 -25.053 -31.561 -7.270 1.00 31.21 N ATOM 1169 CA PRO A 76 -24.694 -31.009 -8.583 1.00 73.01 C ATOM 1170 C PRO A 76 -25.137 -29.560 -8.741 1.00 53.11 C ATOM 1171 O PRO A 76 -26.294 -29.216 -8.489 1.00 52.53 O ATOM 1172 CB PRO A 76 -25.432 -31.913 -9.577 1.00 33.02 C ATOM 1173 CG PRO A 76 -26.520 -32.551 -8.785 1.00 32.30 C ATOM 1174 CD PRO A 76 -25.981 -32.698 -7.393 1.00 13.40 C ATOM 0 HA PRO A 76 -23.615 -30.994 -8.734 1.00 73.01 H new ATOM 0 HB2 PRO A 76 -25.836 -31.337 -10.409 1.00 33.02 H new ATOM 0 HB3 PRO A 76 -24.763 -32.661 -10.002 1.00 33.02 H new ATOM 0 HG2 PRO A 76 -27.421 -31.937 -8.793 1.00 32.30 H new ATOM 0 HG3 PRO A 76 -26.791 -33.520 -9.203 1.00 32.30 H new ATOM 0 HD2 PRO A 76 -26.774 -32.653 -6.647 1.00 13.40 H new ATOM 0 HD3 PRO A 76 -25.470 -33.651 -7.258 1.00 13.40 H new ATOM 1182 N HIS A 77 -24.200 -28.714 -9.135 1.00 50.11 N ATOM 1183 CA HIS A 77 -24.449 -27.286 -9.224 1.00 40.22 C ATOM 1184 C HIS A 77 -25.231 -26.969 -10.494 1.00 60.15 C ATOM 1185 O HIS A 77 -25.183 -27.723 -11.466 1.00 21.53 O ATOM 1186 CB HIS A 77 -23.124 -26.522 -9.210 1.00 72.41 C ATOM 1187 CG HIS A 77 -23.241 -25.125 -8.688 1.00 21.43 C ATOM 1188 ND1 HIS A 77 -23.861 -24.137 -9.410 1.00 31.54 N ATOM 1189 CD2 HIS A 77 -22.808 -24.610 -7.514 1.00 41.32 C ATOM 1190 CE1 HIS A 77 -23.794 -23.050 -8.668 1.00 42.51 C ATOM 1191 NE2 HIS A 77 -23.164 -23.286 -7.508 1.00 54.12 N ATOM 0 H HIS A 77 -23.255 -28.994 -9.399 1.00 50.11 H new ATOM 0 HA HIS A 77 -25.041 -26.975 -8.364 1.00 40.22 H new ATOM 0 HB2 HIS A 77 -22.406 -27.069 -8.600 1.00 72.41 H new ATOM 0 HB3 HIS A 77 -22.723 -26.490 -10.223 1.00 72.41 H new ATOM 0 HD2 HIS A 77 -22.283 -25.140 -6.733 1.00 41.32 H new ATOM 0 HE1 HIS A 77 -24.196 -22.090 -8.958 1.00 42.51 H new ATOM 0 HE2 HIS A 77 -22.984 -22.611 -6.765 1.00 54.12 H new ATOM 1199 N LYS A 78 -25.929 -25.848 -10.483 1.00 71.41 N ATOM 1200 CA LYS A 78 -26.783 -25.463 -11.591 1.00 42.14 C ATOM 1201 C LYS A 78 -26.663 -23.967 -11.843 1.00 52.51 C ATOM 1202 O LYS A 78 -27.077 -23.154 -11.017 1.00 50.25 O ATOM 1203 CB LYS A 78 -28.242 -25.828 -11.291 1.00 5.23 C ATOM 1204 CG LYS A 78 -29.225 -25.351 -12.352 1.00 24.14 C ATOM 1205 CD LYS A 78 -29.006 -26.047 -13.685 1.00 13.33 C ATOM 1206 CE LYS A 78 -29.451 -27.501 -13.645 1.00 34.45 C ATOM 1207 NZ LYS A 78 -30.912 -27.631 -13.405 1.00 3.41 N ATOM 0 H LYS A 78 -25.920 -25.182 -9.710 1.00 71.41 H new ATOM 0 HA LYS A 78 -26.464 -26.002 -12.483 1.00 42.14 H new ATOM 0 HB2 LYS A 78 -28.323 -26.911 -11.194 1.00 5.23 H new ATOM 0 HB3 LYS A 78 -28.524 -25.400 -10.329 1.00 5.23 H new ATOM 0 HG2 LYS A 78 -30.244 -25.534 -12.011 1.00 24.14 H new ATOM 0 HG3 LYS A 78 -29.122 -24.274 -12.484 1.00 24.14 H new ATOM 0 HD2 LYS A 78 -29.556 -25.520 -14.464 1.00 13.33 H new ATOM 0 HD3 LYS A 78 -27.950 -25.998 -13.951 1.00 13.33 H new ATOM 0 HE2 LYS A 78 -29.194 -27.985 -14.588 1.00 34.45 H new ATOM 0 HE3 LYS A 78 -28.907 -28.025 -12.859 1.00 34.45 H new ATOM 0 HZ1 LYS A 78 -31.223 -28.588 -13.666 1.00 3.41 H new ATOM 0 HZ2 LYS A 78 -31.115 -27.464 -12.399 1.00 3.41 H new ATOM 0 HZ3 LYS A 78 -31.422 -26.932 -13.982 1.00 3.41 H new ATOM 1221 N VAL A 79 -26.088 -23.609 -12.977 1.00 41.24 N ATOM 1222 CA VAL A 79 -25.924 -22.208 -13.333 1.00 41.03 C ATOM 1223 C VAL A 79 -26.422 -21.960 -14.748 1.00 62.14 C ATOM 1224 O VAL A 79 -26.094 -22.712 -15.671 1.00 42.24 O ATOM 1225 CB VAL A 79 -24.456 -21.743 -13.153 1.00 1.42 C ATOM 1226 CG1 VAL A 79 -23.488 -22.823 -13.598 1.00 3.43 C ATOM 1227 CG2 VAL A 79 -24.188 -20.441 -13.895 1.00 74.31 C ATOM 0 H VAL A 79 -25.727 -24.267 -13.668 1.00 41.24 H new ATOM 0 HA VAL A 79 -26.530 -21.610 -12.652 1.00 41.03 H new ATOM 0 HB VAL A 79 -24.299 -21.557 -12.090 1.00 1.42 H new ATOM 0 HG11 VAL A 79 -22.465 -22.473 -13.462 1.00 3.43 H new ATOM 0 HG12 VAL A 79 -23.646 -23.722 -13.002 1.00 3.43 H new ATOM 0 HG13 VAL A 79 -23.656 -23.051 -14.650 1.00 3.43 H new ATOM 0 HG21 VAL A 79 -23.150 -20.145 -13.747 1.00 74.31 H new ATOM 0 HG22 VAL A 79 -24.376 -20.583 -14.959 1.00 74.31 H new ATOM 0 HG23 VAL A 79 -24.846 -19.661 -13.511 1.00 74.31 H new ATOM 1237 N ASP A 80 -27.251 -20.918 -14.883 1.00 3.32 N ATOM 1238 CA ASP A 80 -27.951 -20.585 -16.132 1.00 31.45 C ATOM 1239 C ASP A 80 -29.018 -21.628 -16.454 1.00 25.43 C ATOM 1240 O ASP A 80 -30.202 -21.315 -16.578 1.00 54.52 O ATOM 1241 CB ASP A 80 -26.976 -20.453 -17.306 1.00 1.54 C ATOM 1242 CG ASP A 80 -27.686 -20.171 -18.617 1.00 14.41 C ATOM 1243 OD1 ASP A 80 -28.287 -19.085 -18.750 1.00 33.00 O ATOM 1244 OD2 ASP A 80 -27.640 -21.032 -19.521 1.00 64.11 O ATOM 0 H ASP A 80 -27.458 -20.274 -14.120 1.00 3.32 H new ATOM 0 HA ASP A 80 -28.436 -19.620 -15.982 1.00 31.45 H new ATOM 0 HB2 ASP A 80 -26.268 -19.650 -17.099 1.00 1.54 H new ATOM 0 HB3 ASP A 80 -26.397 -21.372 -17.399 1.00 1.54 H new ATOM 1249 N GLY A 81 -28.579 -22.862 -16.570 1.00 10.32 N ATOM 1250 CA GLY A 81 -29.462 -23.967 -16.878 1.00 74.53 C ATOM 1251 C GLY A 81 -28.666 -25.211 -17.188 1.00 74.14 C ATOM 1252 O GLY A 81 -29.098 -26.072 -17.952 1.00 35.24 O ATOM 0 H GLY A 81 -27.601 -23.128 -16.454 1.00 10.32 H new ATOM 0 HA2 GLY A 81 -30.127 -24.155 -16.035 1.00 74.53 H new ATOM 0 HA3 GLY A 81 -30.092 -23.710 -17.730 1.00 74.53 H new ATOM 1256 N ARG A 82 -27.495 -25.300 -16.576 1.00 12.14 N ATOM 1257 CA ARG A 82 -26.555 -26.365 -16.856 1.00 34.50 C ATOM 1258 C ARG A 82 -25.968 -26.903 -15.561 1.00 70.14 C ATOM 1259 O ARG A 82 -25.579 -26.129 -14.683 1.00 11.23 O ATOM 1260 CB ARG A 82 -25.440 -25.836 -17.765 1.00 75.01 C ATOM 1261 CG ARG A 82 -24.316 -26.825 -18.029 1.00 54.41 C ATOM 1262 CD ARG A 82 -24.831 -28.100 -18.666 1.00 2.43 C ATOM 1263 NE ARG A 82 -23.752 -29.027 -19.000 1.00 15.34 N ATOM 1264 CZ ARG A 82 -23.855 -30.355 -18.920 1.00 51.13 C ATOM 1265 NH1 ARG A 82 -24.961 -30.914 -18.446 1.00 32.53 N ATOM 1266 NH2 ARG A 82 -22.848 -31.130 -19.302 1.00 11.15 N ATOM 0 H ARG A 82 -27.173 -24.635 -15.873 1.00 12.14 H new ATOM 0 HA ARG A 82 -27.075 -27.179 -17.362 1.00 34.50 H new ATOM 0 HB2 ARG A 82 -25.877 -25.539 -18.719 1.00 75.01 H new ATOM 0 HB3 ARG A 82 -25.018 -24.938 -17.315 1.00 75.01 H new ATOM 0 HG2 ARG A 82 -23.573 -26.366 -18.682 1.00 54.41 H new ATOM 0 HG3 ARG A 82 -23.813 -27.064 -17.092 1.00 54.41 H new ATOM 0 HD2 ARG A 82 -25.529 -28.588 -17.985 1.00 2.43 H new ATOM 0 HD3 ARG A 82 -25.388 -27.853 -19.570 1.00 2.43 H new ATOM 0 HE ARG A 82 -22.864 -28.634 -19.314 1.00 15.34 H new ATOM 0 HH11 ARG A 82 -25.738 -30.328 -18.141 1.00 32.53 H new ATOM 0 HH12 ARG A 82 -25.034 -31.930 -18.387 1.00 32.53 H new ATOM 0 HH21 ARG A 82 -21.989 -30.711 -19.659 1.00 11.15 H new ATOM 0 HH22 ARG A 82 -22.933 -32.144 -19.238 1.00 11.15 H new ATOM 1280 N VAL A 83 -25.935 -28.221 -15.435 1.00 63.42 N ATOM 1281 CA VAL A 83 -25.299 -28.864 -14.299 1.00 21.31 C ATOM 1282 C VAL A 83 -23.787 -28.838 -14.477 1.00 52.42 C ATOM 1283 O VAL A 83 -23.264 -29.332 -15.476 1.00 53.54 O ATOM 1284 CB VAL A 83 -25.774 -30.321 -14.132 1.00 34.21 C ATOM 1285 CG1 VAL A 83 -25.092 -30.978 -12.942 1.00 41.25 C ATOM 1286 CG2 VAL A 83 -27.285 -30.373 -13.979 1.00 71.12 C ATOM 0 H VAL A 83 -26.344 -28.867 -16.110 1.00 63.42 H new ATOM 0 HA VAL A 83 -25.579 -28.313 -13.401 1.00 21.31 H new ATOM 0 HB VAL A 83 -25.499 -30.876 -15.029 1.00 34.21 H new ATOM 0 HG11 VAL A 83 -25.442 -32.005 -12.843 1.00 41.25 H new ATOM 0 HG12 VAL A 83 -24.013 -30.976 -13.094 1.00 41.25 H new ATOM 0 HG13 VAL A 83 -25.331 -30.424 -12.034 1.00 41.25 H new ATOM 0 HG21 VAL A 83 -27.603 -31.409 -13.862 1.00 71.12 H new ATOM 0 HG22 VAL A 83 -27.582 -29.801 -13.100 1.00 71.12 H new ATOM 0 HG23 VAL A 83 -27.755 -29.947 -14.865 1.00 71.12 H new ATOM 1296 N VAL A 84 -23.093 -28.249 -13.520 1.00 32.51 N ATOM 1297 CA VAL A 84 -21.654 -28.073 -13.632 1.00 4.53 C ATOM 1298 C VAL A 84 -20.912 -28.793 -12.516 1.00 21.04 C ATOM 1299 O VAL A 84 -21.512 -29.226 -11.527 1.00 13.35 O ATOM 1300 CB VAL A 84 -21.268 -26.580 -13.616 1.00 75.13 C ATOM 1301 CG1 VAL A 84 -21.923 -25.853 -14.775 1.00 43.54 C ATOM 1302 CG2 VAL A 84 -21.653 -25.932 -12.294 1.00 1.02 C ATOM 0 H VAL A 84 -23.500 -27.885 -12.658 1.00 32.51 H new ATOM 0 HA VAL A 84 -21.361 -28.508 -14.588 1.00 4.53 H new ATOM 0 HB VAL A 84 -20.186 -26.507 -13.725 1.00 75.13 H new ATOM 0 HG11 VAL A 84 -21.641 -24.800 -14.750 1.00 43.54 H new ATOM 0 HG12 VAL A 84 -21.593 -26.295 -15.715 1.00 43.54 H new ATOM 0 HG13 VAL A 84 -23.006 -25.940 -14.694 1.00 43.54 H new ATOM 0 HG21 VAL A 84 -21.370 -24.879 -12.309 1.00 1.02 H new ATOM 0 HG22 VAL A 84 -22.730 -26.016 -12.148 1.00 1.02 H new ATOM 0 HG23 VAL A 84 -21.135 -26.436 -11.478 1.00 1.02 H new ATOM 1312 N GLU A 85 -19.606 -28.900 -12.681 1.00 25.32 N ATOM 1313 CA GLU A 85 -18.750 -29.541 -11.701 1.00 22.01 C ATOM 1314 C GLU A 85 -17.755 -28.530 -11.159 1.00 30.51 C ATOM 1315 O GLU A 85 -16.833 -28.119 -11.865 1.00 50.24 O ATOM 1316 CB GLU A 85 -18.003 -30.724 -12.319 1.00 1.04 C ATOM 1317 CG GLU A 85 -16.938 -31.317 -11.407 1.00 22.41 C ATOM 1318 CD GLU A 85 -16.016 -32.279 -12.128 1.00 14.42 C ATOM 1319 OE1 GLU A 85 -15.203 -31.821 -12.964 1.00 74.04 O ATOM 1320 OE2 GLU A 85 -16.079 -33.493 -11.845 1.00 54.13 O ATOM 0 H GLU A 85 -19.110 -28.545 -13.498 1.00 25.32 H new ATOM 0 HA GLU A 85 -19.372 -29.917 -10.889 1.00 22.01 H new ATOM 0 HB2 GLU A 85 -18.722 -31.502 -12.578 1.00 1.04 H new ATOM 0 HB3 GLU A 85 -17.534 -30.401 -13.249 1.00 1.04 H new ATOM 0 HG2 GLU A 85 -16.347 -30.510 -10.974 1.00 22.41 H new ATOM 0 HG3 GLU A 85 -17.423 -31.836 -10.580 1.00 22.41 H new ATOM 1327 N PRO A 86 -17.953 -28.090 -9.916 1.00 53.35 N ATOM 1328 CA PRO A 86 -17.067 -27.154 -9.258 1.00 70.33 C ATOM 1329 C PRO A 86 -15.986 -27.859 -8.445 1.00 5.54 C ATOM 1330 O PRO A 86 -16.261 -28.421 -7.382 1.00 1.42 O ATOM 1331 CB PRO A 86 -18.020 -26.372 -8.349 1.00 71.42 C ATOM 1332 CG PRO A 86 -19.255 -27.218 -8.194 1.00 14.24 C ATOM 1333 CD PRO A 86 -19.071 -28.452 -9.044 1.00 70.13 C ATOM 0 HA PRO A 86 -16.517 -26.528 -9.961 1.00 70.33 H new ATOM 0 HB2 PRO A 86 -17.559 -26.177 -7.380 1.00 71.42 H new ATOM 0 HB3 PRO A 86 -18.265 -25.404 -8.786 1.00 71.42 H new ATOM 0 HG2 PRO A 86 -19.404 -27.491 -7.149 1.00 14.24 H new ATOM 0 HG3 PRO A 86 -20.140 -26.665 -8.508 1.00 14.24 H new ATOM 0 HD2 PRO A 86 -18.842 -29.329 -8.438 1.00 70.13 H new ATOM 0 HD3 PRO A 86 -19.969 -28.685 -9.616 1.00 70.13 H new ATOM 1341 N LYS A 87 -14.762 -27.843 -8.952 1.00 64.41 N ATOM 1342 CA LYS A 87 -13.654 -28.499 -8.271 1.00 73.03 C ATOM 1343 C LYS A 87 -12.639 -27.474 -7.775 1.00 4.10 C ATOM 1344 O LYS A 87 -12.584 -26.356 -8.282 1.00 71.21 O ATOM 1345 CB LYS A 87 -12.969 -29.516 -9.193 1.00 32.15 C ATOM 1346 CG LYS A 87 -12.231 -28.907 -10.375 1.00 73.54 C ATOM 1347 CD LYS A 87 -11.398 -29.949 -11.103 1.00 2.41 C ATOM 1348 CE LYS A 87 -12.267 -30.989 -11.787 1.00 30.13 C ATOM 1349 NZ LYS A 87 -12.852 -30.493 -13.054 1.00 1.45 N ATOM 0 H LYS A 87 -14.511 -27.385 -9.828 1.00 64.41 H new ATOM 0 HA LYS A 87 -14.061 -29.031 -7.411 1.00 73.03 H new ATOM 0 HB2 LYS A 87 -12.263 -30.102 -8.604 1.00 32.15 H new ATOM 0 HB3 LYS A 87 -13.722 -30.209 -9.570 1.00 32.15 H new ATOM 0 HG2 LYS A 87 -12.949 -28.465 -11.066 1.00 73.54 H new ATOM 0 HG3 LYS A 87 -11.585 -28.101 -10.027 1.00 73.54 H new ATOM 0 HD2 LYS A 87 -10.768 -29.457 -11.844 1.00 2.41 H new ATOM 0 HD3 LYS A 87 -10.732 -30.441 -10.395 1.00 2.41 H new ATOM 0 HE2 LYS A 87 -11.672 -31.879 -11.989 1.00 30.13 H new ATOM 0 HE3 LYS A 87 -13.069 -31.288 -11.113 1.00 30.13 H new ATOM 0 HZ1 LYS A 87 -13.878 -30.662 -13.052 1.00 1.45 H new ATOM 0 HZ2 LYS A 87 -12.670 -29.473 -13.145 1.00 1.45 H new ATOM 0 HZ3 LYS A 87 -12.420 -30.995 -13.856 1.00 1.45 H new ATOM 1363 N ARG A 88 -11.863 -27.855 -6.768 1.00 23.02 N ATOM 1364 CA ARG A 88 -10.787 -27.012 -6.255 1.00 44.51 C ATOM 1365 C ARG A 88 -9.811 -26.691 -7.379 1.00 70.32 C ATOM 1366 O ARG A 88 -9.314 -27.595 -8.058 1.00 44.14 O ATOM 1367 CB ARG A 88 -10.045 -27.726 -5.121 1.00 22.34 C ATOM 1368 CG ARG A 88 -10.013 -26.969 -3.799 1.00 70.03 C ATOM 1369 CD ARG A 88 -11.366 -26.988 -3.108 1.00 73.45 C ATOM 1370 NE ARG A 88 -11.263 -26.708 -1.675 1.00 13.03 N ATOM 1371 CZ ARG A 88 -12.145 -27.139 -0.768 1.00 10.30 C ATOM 1372 NH1 ARG A 88 -13.190 -27.861 -1.147 1.00 51.12 N ATOM 1373 NH2 ARG A 88 -11.974 -26.864 0.517 1.00 42.34 N ATOM 0 H ARG A 88 -11.959 -28.749 -6.286 1.00 23.02 H new ATOM 0 HA ARG A 88 -11.218 -26.089 -5.868 1.00 44.51 H new ATOM 0 HB2 ARG A 88 -10.512 -28.697 -4.956 1.00 22.34 H new ATOM 0 HB3 ARG A 88 -9.020 -27.915 -5.440 1.00 22.34 H new ATOM 0 HG2 ARG A 88 -9.263 -27.413 -3.144 1.00 70.03 H new ATOM 0 HG3 ARG A 88 -9.710 -25.937 -3.978 1.00 70.03 H new ATOM 0 HD2 ARG A 88 -12.020 -26.250 -3.574 1.00 73.45 H new ATOM 0 HD3 ARG A 88 -11.832 -27.963 -3.253 1.00 73.45 H new ATOM 0 HE ARG A 88 -10.472 -26.152 -1.350 1.00 13.03 H new ATOM 0 HH11 ARG A 88 -13.322 -28.089 -2.132 1.00 51.12 H new ATOM 0 HH12 ARG A 88 -13.862 -28.189 -0.453 1.00 51.12 H new ATOM 0 HH21 ARG A 88 -11.166 -26.320 0.819 1.00 42.34 H new ATOM 0 HH22 ARG A 88 -12.651 -27.196 1.204 1.00 42.34 H new ATOM 1387 N ALA A 89 -9.549 -25.413 -7.581 1.00 33.44 N ATOM 1388 CA ALA A 89 -8.707 -24.979 -8.680 1.00 1.32 C ATOM 1389 C ALA A 89 -7.230 -25.173 -8.372 1.00 30.21 C ATOM 1390 O ALA A 89 -6.799 -25.081 -7.222 1.00 5.31 O ATOM 1391 CB ALA A 89 -8.987 -23.527 -9.013 1.00 21.44 C ATOM 0 H ALA A 89 -9.908 -24.657 -6.998 1.00 33.44 H new ATOM 0 HA ALA A 89 -8.947 -25.599 -9.544 1.00 1.32 H new ATOM 0 HB1 ALA A 89 -8.349 -23.214 -9.839 1.00 21.44 H new ATOM 0 HB2 ALA A 89 -10.033 -23.414 -9.299 1.00 21.44 H new ATOM 0 HB3 ALA A 89 -8.781 -22.907 -8.140 1.00 21.44 H new ATOM 1397 N VAL A 90 -6.465 -25.449 -9.415 1.00 32.33 N ATOM 1398 CA VAL A 90 -5.021 -25.565 -9.304 1.00 54.45 C ATOM 1399 C VAL A 90 -4.381 -24.226 -9.637 1.00 14.32 C ATOM 1400 O VAL A 90 -4.782 -23.578 -10.593 1.00 3.25 O ATOM 1401 CB VAL A 90 -4.470 -26.650 -10.258 1.00 41.14 C ATOM 1402 CG1 VAL A 90 -2.964 -26.806 -10.097 1.00 23.30 C ATOM 1403 CG2 VAL A 90 -5.172 -27.979 -10.024 1.00 5.11 C ATOM 0 H VAL A 90 -6.825 -25.598 -10.358 1.00 32.33 H new ATOM 0 HA VAL A 90 -4.778 -25.855 -8.282 1.00 54.45 H new ATOM 0 HB VAL A 90 -4.670 -26.330 -11.281 1.00 41.14 H new ATOM 0 HG11 VAL A 90 -2.603 -27.575 -10.780 1.00 23.30 H new ATOM 0 HG12 VAL A 90 -2.474 -25.860 -10.325 1.00 23.30 H new ATOM 0 HG13 VAL A 90 -2.736 -27.095 -9.071 1.00 23.30 H new ATOM 0 HG21 VAL A 90 -4.769 -28.728 -10.706 1.00 5.11 H new ATOM 0 HG22 VAL A 90 -5.010 -28.300 -8.995 1.00 5.11 H new ATOM 0 HG23 VAL A 90 -6.241 -27.863 -10.204 1.00 5.11 H new