USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 LYS NZ :NH3+ -167:sc= 2.15 (180deg=0.832) USER MOD Set 1.2: A 61 THR OG1 : rot 71:sc= 0.109 USER MOD Single : A 12 GLN : amide:sc= -1.15 X(o=-1.1,f=-0.77) USER MOD Single : A 22 SER OG : rot -157:sc= 1.38 USER MOD Single : A 25 THR OG1 : rot -140:sc= -0.691 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.208 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= -1.89 K(o=-1.9,f=-0.44) USER MOD Single : A 36 GLN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -101:sc= 0.0809 USER MOD Single : A 43 CYS SG : rot -127:sc= -2.07! USER MOD Single : A 46 MET CE :methyl 169:sc= -0.751 (180deg=-1.25) USER MOD Single : A 62 TYR OH : rot 32:sc= 0.498 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.074 USER MOD Single : A 72 MET CE :methyl -154:sc= -1.21 (180deg=-2.48!) USER MOD Single : A 73 ASN : amide:sc= 1.06 K(o=1.1,f=-0.12) USER MOD Single : A 77 HIS : no HD1:sc= -0.32 K(o=-0.32,f=-5.4!) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= -0.0668 (180deg=-0.425) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.130 -17.891 -4.026 1.00 13.14 N ATOM 149 CA GLU A 11 -6.223 -17.716 -4.966 1.00 54.43 C ATOM 150 C GLU A 11 -6.591 -19.065 -5.564 1.00 72.24 C ATOM 151 O GLU A 11 -7.754 -19.334 -5.850 1.00 33.50 O ATOM 152 CB GLU A 11 -5.808 -16.739 -6.069 1.00 23.43 C ATOM 153 CG GLU A 11 -6.934 -16.355 -7.012 1.00 15.44 C ATOM 154 CD GLU A 11 -6.475 -15.424 -8.112 1.00 55.21 C ATOM 155 OE1 GLU A 11 -5.852 -14.387 -7.803 1.00 52.32 O ATOM 156 OE2 GLU A 11 -6.747 -15.724 -9.290 1.00 3.05 O ATOM 0 HA GLU A 11 -7.090 -17.306 -4.448 1.00 54.43 H new ATOM 0 HB2 GLU A 11 -5.410 -15.835 -5.608 1.00 23.43 H new ATOM 0 HB3 GLU A 11 -4.999 -17.184 -6.648 1.00 23.43 H new ATOM 0 HG2 GLU A 11 -7.356 -17.257 -7.456 1.00 15.44 H new ATOM 0 HG3 GLU A 11 -7.732 -15.876 -6.444 1.00 15.44 H new ATOM 163 N GLN A 12 -5.578 -19.908 -5.718 1.00 33.44 N ATOM 164 CA GLN A 12 -5.739 -21.259 -6.235 1.00 2.43 C ATOM 165 C GLN A 12 -6.825 -22.035 -5.485 1.00 71.51 C ATOM 166 O GLN A 12 -7.803 -22.478 -6.083 1.00 73.45 O ATOM 167 CB GLN A 12 -4.401 -21.999 -6.137 1.00 50.31 C ATOM 168 CG GLN A 12 -4.503 -23.498 -6.347 1.00 55.23 C ATOM 169 CD GLN A 12 -3.159 -24.187 -6.253 1.00 34.23 C ATOM 170 OE1 GLN A 12 -2.255 -23.723 -5.559 1.00 51.43 O ATOM 171 NE2 GLN A 12 -3.028 -25.312 -6.931 1.00 43.31 N ATOM 0 H GLN A 12 -4.614 -19.670 -5.485 1.00 33.44 H new ATOM 0 HA GLN A 12 -6.054 -21.188 -7.276 1.00 2.43 H new ATOM 0 HB2 GLN A 12 -3.715 -21.586 -6.876 1.00 50.31 H new ATOM 0 HB3 GLN A 12 -3.965 -21.810 -5.156 1.00 50.31 H new ATOM 0 HG2 GLN A 12 -5.178 -23.921 -5.603 1.00 55.23 H new ATOM 0 HG3 GLN A 12 -4.942 -23.696 -7.325 1.00 55.23 H new ATOM 0 HE21 GLN A 12 -3.803 -25.661 -7.494 1.00 43.31 H new ATOM 0 HE22 GLN A 12 -2.151 -25.832 -6.892 1.00 43.31 H new ATOM 180 N LEU A 13 -6.671 -22.170 -4.172 1.00 0.52 N ATOM 181 CA LEU A 13 -7.555 -23.039 -3.403 1.00 2.52 C ATOM 182 C LEU A 13 -8.847 -22.321 -3.006 1.00 35.41 C ATOM 183 O LEU A 13 -9.750 -22.928 -2.431 1.00 63.05 O ATOM 184 CB LEU A 13 -6.826 -23.608 -2.171 1.00 14.25 C ATOM 185 CG LEU A 13 -7.220 -23.023 -0.808 1.00 5.34 C ATOM 186 CD1 LEU A 13 -6.737 -23.930 0.313 1.00 62.21 C ATOM 187 CD2 LEU A 13 -6.648 -21.627 -0.629 1.00 50.41 C ATOM 0 H LEU A 13 -5.953 -21.696 -3.624 1.00 0.52 H new ATOM 0 HA LEU A 13 -7.838 -23.875 -4.043 1.00 2.52 H new ATOM 0 HB2 LEU A 13 -6.996 -24.684 -2.142 1.00 14.25 H new ATOM 0 HB3 LEU A 13 -5.755 -23.458 -2.309 1.00 14.25 H new ATOM 0 HG LEU A 13 -8.307 -22.956 -0.770 1.00 5.34 H new ATOM 0 HD11 LEU A 13 -7.023 -23.504 1.275 1.00 62.21 H new ATOM 0 HD12 LEU A 13 -7.190 -24.916 0.204 1.00 62.21 H new ATOM 0 HD13 LEU A 13 -5.652 -24.022 0.265 1.00 62.21 H new ATOM 0 HD21 LEU A 13 -6.942 -21.235 0.345 1.00 50.41 H new ATOM 0 HD22 LEU A 13 -5.561 -21.669 -0.690 1.00 50.41 H new ATOM 0 HD23 LEU A 13 -7.031 -20.974 -1.413 1.00 50.41 H new ATOM 199 N ARG A 14 -8.938 -21.035 -3.309 1.00 2.44 N ATOM 200 CA ARG A 14 -10.162 -20.288 -3.041 1.00 42.12 C ATOM 201 C ARG A 14 -10.968 -20.105 -4.315 1.00 25.33 C ATOM 202 O ARG A 14 -12.120 -19.671 -4.278 1.00 40.12 O ATOM 203 CB ARG A 14 -9.864 -18.927 -2.418 1.00 12.25 C ATOM 204 CG ARG A 14 -9.306 -19.010 -1.012 1.00 1.43 C ATOM 205 CD ARG A 14 -9.331 -17.653 -0.333 1.00 62.21 C ATOM 206 NE ARG A 14 -8.448 -16.685 -0.984 1.00 74.10 N ATOM 207 CZ ARG A 14 -8.511 -15.369 -0.774 1.00 23.00 C ATOM 208 NH1 ARG A 14 -9.452 -14.864 0.015 1.00 12.24 N ATOM 209 NH2 ARG A 14 -7.634 -14.558 -1.355 1.00 25.12 N ATOM 0 H ARG A 14 -8.189 -20.490 -3.736 1.00 2.44 H new ATOM 0 HA ARG A 14 -10.747 -20.869 -2.328 1.00 42.12 H new ATOM 0 HB2 ARG A 14 -9.153 -18.395 -3.051 1.00 12.25 H new ATOM 0 HB3 ARG A 14 -10.780 -18.336 -2.402 1.00 12.25 H new ATOM 0 HG2 ARG A 14 -9.888 -19.723 -0.428 1.00 1.43 H new ATOM 0 HG3 ARG A 14 -8.283 -19.385 -1.045 1.00 1.43 H new ATOM 0 HD2 ARG A 14 -10.351 -17.268 -0.335 1.00 62.21 H new ATOM 0 HD3 ARG A 14 -9.035 -17.766 0.710 1.00 62.21 H new ATOM 0 HE ARG A 14 -7.745 -17.036 -1.635 1.00 74.10 H new ATOM 0 HH11 ARG A 14 -10.129 -15.483 0.462 1.00 12.24 H new ATOM 0 HH12 ARG A 14 -9.498 -13.858 0.174 1.00 12.24 H new ATOM 0 HH21 ARG A 14 -6.910 -14.941 -1.963 1.00 25.12 H new ATOM 0 HH22 ARG A 14 -7.684 -13.552 -1.193 1.00 25.12 H new ATOM 223 N LYS A 15 -10.356 -20.428 -5.440 1.00 1.02 N ATOM 224 CA LYS A 15 -11.030 -20.330 -6.719 1.00 25.23 C ATOM 225 C LYS A 15 -11.693 -21.653 -7.061 1.00 42.01 C ATOM 226 O LYS A 15 -11.111 -22.724 -6.884 1.00 44.31 O ATOM 227 CB LYS A 15 -10.055 -19.927 -7.825 1.00 61.54 C ATOM 228 CG LYS A 15 -10.743 -19.442 -9.093 1.00 3.33 C ATOM 229 CD LYS A 15 -9.754 -19.225 -10.228 1.00 21.04 C ATOM 230 CE LYS A 15 -8.657 -18.242 -9.859 1.00 35.12 C ATOM 231 NZ LYS A 15 -9.165 -16.858 -9.650 1.00 23.55 N ATOM 0 H LYS A 15 -9.393 -20.760 -5.492 1.00 1.02 H new ATOM 0 HA LYS A 15 -11.794 -19.556 -6.643 1.00 25.23 H new ATOM 0 HB2 LYS A 15 -9.400 -19.139 -7.452 1.00 61.54 H new ATOM 0 HB3 LYS A 15 -9.421 -20.780 -8.068 1.00 61.54 H new ATOM 0 HG2 LYS A 15 -11.494 -20.170 -9.400 1.00 3.33 H new ATOM 0 HG3 LYS A 15 -11.269 -18.510 -8.887 1.00 3.33 H new ATOM 0 HD2 LYS A 15 -9.305 -20.180 -10.503 1.00 21.04 H new ATOM 0 HD3 LYS A 15 -10.287 -18.858 -11.106 1.00 21.04 H new ATOM 0 HE2 LYS A 15 -8.162 -18.583 -8.950 1.00 35.12 H new ATOM 0 HE3 LYS A 15 -7.905 -18.232 -10.648 1.00 35.12 H new ATOM 0 HZ1 LYS A 15 -8.364 -16.195 -9.620 1.00 23.55 H new ATOM 0 HZ2 LYS A 15 -9.799 -16.599 -10.432 1.00 23.55 H new ATOM 0 HZ3 LYS A 15 -9.687 -16.812 -8.752 1.00 23.55 H new ATOM 245 N LEU A 16 -12.921 -21.565 -7.518 1.00 52.45 N ATOM 246 CA LEU A 16 -13.685 -22.727 -7.913 1.00 53.23 C ATOM 247 C LEU A 16 -13.664 -22.860 -9.430 1.00 71.44 C ATOM 248 O LEU A 16 -13.959 -21.904 -10.152 1.00 52.10 O ATOM 249 CB LEU A 16 -15.120 -22.572 -7.414 1.00 12.44 C ATOM 250 CG LEU A 16 -15.865 -23.872 -7.127 1.00 72.13 C ATOM 251 CD1 LEU A 16 -15.025 -24.787 -6.252 1.00 2.22 C ATOM 252 CD2 LEU A 16 -17.191 -23.569 -6.452 1.00 74.43 C ATOM 0 H LEU A 16 -13.420 -20.682 -7.627 1.00 52.45 H new ATOM 0 HA LEU A 16 -13.248 -23.626 -7.478 1.00 53.23 H new ATOM 0 HB2 LEU A 16 -15.106 -21.974 -6.503 1.00 12.44 H new ATOM 0 HB3 LEU A 16 -15.684 -22.008 -8.156 1.00 12.44 H new ATOM 0 HG LEU A 16 -16.056 -24.382 -8.071 1.00 72.13 H new ATOM 0 HD11 LEU A 16 -15.573 -25.709 -6.058 1.00 2.22 H new ATOM 0 HD12 LEU A 16 -14.090 -25.021 -6.762 1.00 2.22 H new ATOM 0 HD13 LEU A 16 -14.808 -24.289 -5.307 1.00 2.22 H new ATOM 0 HD21 LEU A 16 -17.718 -24.502 -6.250 1.00 74.43 H new ATOM 0 HD22 LEU A 16 -17.010 -23.044 -5.514 1.00 74.43 H new ATOM 0 HD23 LEU A 16 -17.798 -22.944 -7.107 1.00 74.43 H new ATOM 264 N PHE A 17 -13.291 -24.036 -9.903 1.00 20.33 N ATOM 265 CA PHE A 17 -13.275 -24.327 -11.324 1.00 31.13 C ATOM 266 C PHE A 17 -14.633 -24.858 -11.754 1.00 51.31 C ATOM 267 O PHE A 17 -15.068 -25.919 -11.301 1.00 12.32 O ATOM 268 CB PHE A 17 -12.177 -25.344 -11.648 1.00 4.41 C ATOM 269 CG PHE A 17 -12.136 -25.760 -13.093 1.00 31.15 C ATOM 270 CD1 PHE A 17 -12.028 -27.097 -13.436 1.00 61.00 C ATOM 271 CD2 PHE A 17 -12.202 -24.817 -14.106 1.00 23.03 C ATOM 272 CE1 PHE A 17 -11.989 -27.483 -14.760 1.00 55.42 C ATOM 273 CE2 PHE A 17 -12.163 -25.199 -15.431 1.00 51.14 C ATOM 274 CZ PHE A 17 -12.055 -26.534 -15.758 1.00 30.24 C ATOM 0 H PHE A 17 -12.992 -24.813 -9.314 1.00 20.33 H new ATOM 0 HA PHE A 17 -13.063 -23.409 -11.872 1.00 31.13 H new ATOM 0 HB2 PHE A 17 -11.211 -24.920 -11.375 1.00 4.41 H new ATOM 0 HB3 PHE A 17 -12.322 -26.230 -11.029 1.00 4.41 H new ATOM 0 HD1 PHE A 17 -11.974 -27.845 -12.659 1.00 61.00 H new ATOM 0 HD2 PHE A 17 -12.285 -23.770 -13.855 1.00 23.03 H new ATOM 0 HE1 PHE A 17 -11.907 -28.529 -15.015 1.00 55.42 H new ATOM 0 HE2 PHE A 17 -12.217 -24.454 -16.211 1.00 51.14 H new ATOM 0 HZ PHE A 17 -12.022 -26.836 -16.794 1.00 30.24 H new ATOM 284 N ILE A 18 -15.302 -24.110 -12.612 1.00 72.24 N ATOM 285 CA ILE A 18 -16.634 -24.473 -13.061 1.00 4.15 C ATOM 286 C ILE A 18 -16.582 -24.956 -14.500 1.00 73.31 C ATOM 287 O ILE A 18 -16.619 -24.153 -15.428 1.00 14.32 O ATOM 288 CB ILE A 18 -17.607 -23.274 -12.979 1.00 31.44 C ATOM 289 CG1 ILE A 18 -17.365 -22.456 -11.704 1.00 3.31 C ATOM 290 CG2 ILE A 18 -19.049 -23.757 -13.034 1.00 23.40 C ATOM 291 CD1 ILE A 18 -17.501 -23.246 -10.422 1.00 73.05 C ATOM 0 H ILE A 18 -14.943 -23.244 -13.013 1.00 72.24 H new ATOM 0 HA ILE A 18 -16.995 -25.265 -12.406 1.00 4.15 H new ATOM 0 HB ILE A 18 -17.421 -22.627 -13.837 1.00 31.44 H new ATOM 0 HG12 ILE A 18 -16.365 -22.025 -11.747 1.00 3.31 H new ATOM 0 HG13 ILE A 18 -18.069 -21.624 -11.681 1.00 3.31 H new ATOM 0 HG21 ILE A 18 -19.722 -22.901 -12.975 1.00 23.40 H new ATOM 0 HG22 ILE A 18 -19.219 -24.289 -13.970 1.00 23.40 H new ATOM 0 HG23 ILE A 18 -19.240 -24.427 -12.196 1.00 23.40 H new ATOM 0 HD11 ILE A 18 -17.314 -22.592 -9.570 1.00 73.05 H new ATOM 0 HD12 ILE A 18 -18.509 -23.654 -10.352 1.00 73.05 H new ATOM 0 HD13 ILE A 18 -16.778 -24.062 -10.419 1.00 73.05 H new ATOM 303 N GLY A 19 -16.476 -26.259 -14.690 1.00 11.42 N ATOM 304 CA GLY A 19 -16.385 -26.797 -16.030 1.00 13.43 C ATOM 305 C GLY A 19 -17.643 -27.528 -16.432 1.00 25.13 C ATOM 306 O GLY A 19 -18.296 -28.158 -15.597 1.00 2.42 O ATOM 0 H GLY A 19 -16.451 -26.954 -13.943 1.00 11.42 H new ATOM 0 HA2 GLY A 19 -16.196 -25.987 -16.734 1.00 13.43 H new ATOM 0 HA3 GLY A 19 -15.535 -27.477 -16.091 1.00 13.43 H new ATOM 310 N GLY A 20 -17.992 -27.431 -17.707 1.00 1.42 N ATOM 311 CA GLY A 20 -19.172 -28.105 -18.205 1.00 52.51 C ATOM 312 C GLY A 20 -20.406 -27.238 -18.101 1.00 1.00 C ATOM 313 O GLY A 20 -21.485 -27.722 -17.764 1.00 34.42 O ATOM 0 H GLY A 20 -17.477 -26.896 -18.406 1.00 1.42 H new ATOM 0 HA2 GLY A 20 -19.015 -28.389 -19.246 1.00 52.51 H new ATOM 0 HA3 GLY A 20 -19.328 -29.026 -17.643 1.00 52.51 H new ATOM 317 N LEU A 21 -20.250 -25.955 -18.390 1.00 70.32 N ATOM 318 CA LEU A 21 -21.361 -25.020 -18.305 1.00 24.32 C ATOM 319 C LEU A 21 -21.809 -24.556 -19.687 1.00 71.11 C ATOM 320 O LEU A 21 -21.184 -24.874 -20.700 1.00 4.34 O ATOM 321 CB LEU A 21 -20.999 -23.822 -17.413 1.00 11.44 C ATOM 322 CG LEU A 21 -19.619 -23.191 -17.640 1.00 52.12 C ATOM 323 CD1 LEU A 21 -19.587 -22.377 -18.922 1.00 42.25 C ATOM 324 CD2 LEU A 21 -19.240 -22.321 -16.456 1.00 70.02 C ATOM 0 H LEU A 21 -19.367 -25.538 -18.685 1.00 70.32 H new ATOM 0 HA LEU A 21 -22.200 -25.544 -17.848 1.00 24.32 H new ATOM 0 HB2 LEU A 21 -21.755 -23.050 -17.556 1.00 11.44 H new ATOM 0 HB3 LEU A 21 -21.061 -24.140 -16.372 1.00 11.44 H new ATOM 0 HG LEU A 21 -18.892 -23.998 -17.737 1.00 52.12 H new ATOM 0 HD11 LEU A 21 -18.596 -21.944 -19.053 1.00 42.25 H new ATOM 0 HD12 LEU A 21 -19.815 -23.024 -19.769 1.00 42.25 H new ATOM 0 HD13 LEU A 21 -20.327 -21.579 -18.865 1.00 42.25 H new ATOM 0 HD21 LEU A 21 -18.259 -21.879 -16.629 1.00 70.02 H new ATOM 0 HD22 LEU A 21 -19.979 -21.529 -16.335 1.00 70.02 H new ATOM 0 HD23 LEU A 21 -19.210 -22.930 -15.552 1.00 70.02 H new ATOM 336 N SER A 22 -22.891 -23.797 -19.703 1.00 24.44 N ATOM 337 CA SER A 22 -23.493 -23.311 -20.932 1.00 65.23 C ATOM 338 C SER A 22 -22.577 -22.314 -21.639 1.00 10.42 C ATOM 339 O SER A 22 -21.789 -21.612 -21.004 1.00 63.44 O ATOM 340 CB SER A 22 -24.842 -22.668 -20.591 1.00 55.22 C ATOM 341 OG SER A 22 -25.375 -21.921 -21.671 1.00 60.04 O ATOM 0 H SER A 22 -23.379 -23.499 -18.859 1.00 24.44 H new ATOM 0 HA SER A 22 -23.645 -24.145 -21.617 1.00 65.23 H new ATOM 0 HB2 SER A 22 -25.550 -23.446 -20.307 1.00 55.22 H new ATOM 0 HB3 SER A 22 -24.722 -22.015 -19.726 1.00 55.22 H new ATOM 0 HG SER A 22 -26.004 -21.253 -21.328 1.00 60.04 H new ATOM 347 N PHE A 23 -22.696 -22.240 -22.958 1.00 72.01 N ATOM 348 CA PHE A 23 -21.889 -21.317 -23.744 1.00 74.02 C ATOM 349 C PHE A 23 -22.457 -19.911 -23.635 1.00 22.21 C ATOM 350 O PHE A 23 -21.943 -18.965 -24.234 1.00 70.31 O ATOM 351 CB PHE A 23 -21.841 -21.760 -25.207 1.00 51.43 C ATOM 352 CG PHE A 23 -21.345 -23.165 -25.384 1.00 53.54 C ATOM 353 CD1 PHE A 23 -22.221 -24.181 -25.725 1.00 53.21 C ATOM 354 CD2 PHE A 23 -20.008 -23.470 -25.199 1.00 62.42 C ATOM 355 CE1 PHE A 23 -21.769 -25.477 -25.881 1.00 61.22 C ATOM 356 CE2 PHE A 23 -19.551 -24.763 -25.355 1.00 30.31 C ATOM 357 CZ PHE A 23 -20.434 -25.768 -25.696 1.00 52.31 C ATOM 0 H PHE A 23 -23.343 -22.808 -23.505 1.00 72.01 H new ATOM 0 HA PHE A 23 -20.872 -21.319 -23.352 1.00 74.02 H new ATOM 0 HB2 PHE A 23 -22.839 -21.677 -25.638 1.00 51.43 H new ATOM 0 HB3 PHE A 23 -21.196 -21.081 -25.764 1.00 51.43 H new ATOM 0 HD1 PHE A 23 -23.268 -23.958 -25.870 1.00 53.21 H new ATOM 0 HD2 PHE A 23 -19.314 -22.687 -24.929 1.00 62.42 H new ATOM 0 HE1 PHE A 23 -22.461 -26.262 -26.148 1.00 61.22 H new ATOM 0 HE2 PHE A 23 -18.505 -24.988 -25.211 1.00 30.31 H new ATOM 0 HZ PHE A 23 -20.080 -26.781 -25.818 1.00 52.31 H new ATOM 367 N GLU A 24 -23.525 -19.788 -22.861 1.00 74.11 N ATOM 368 CA GLU A 24 -24.157 -18.507 -22.614 1.00 51.04 C ATOM 369 C GLU A 24 -23.842 -18.044 -21.199 1.00 72.25 C ATOM 370 O GLU A 24 -24.181 -16.928 -20.804 1.00 31.51 O ATOM 371 CB GLU A 24 -25.665 -18.637 -22.816 1.00 4.42 C ATOM 372 CG GLU A 24 -26.023 -19.282 -24.143 1.00 50.20 C ATOM 373 CD GLU A 24 -27.512 -19.454 -24.335 1.00 2.35 C ATOM 374 OE1 GLU A 24 -28.179 -18.490 -24.766 1.00 43.50 O ATOM 375 OE2 GLU A 24 -28.028 -20.559 -24.070 1.00 31.20 O ATOM 0 H GLU A 24 -23.974 -20.573 -22.389 1.00 74.11 H new ATOM 0 HA GLU A 24 -23.772 -17.765 -23.314 1.00 51.04 H new ATOM 0 HB2 GLU A 24 -26.087 -19.228 -22.003 1.00 4.42 H new ATOM 0 HB3 GLU A 24 -26.122 -17.649 -22.762 1.00 4.42 H new ATOM 0 HG2 GLU A 24 -25.626 -18.673 -24.955 1.00 50.20 H new ATOM 0 HG3 GLU A 24 -25.539 -20.256 -24.209 1.00 50.20 H new ATOM 382 N THR A 25 -23.185 -18.916 -20.442 1.00 64.52 N ATOM 383 CA THR A 25 -22.786 -18.609 -19.079 1.00 54.24 C ATOM 384 C THR A 25 -21.751 -17.487 -19.057 1.00 2.52 C ATOM 385 O THR A 25 -20.581 -17.686 -19.391 1.00 61.53 O ATOM 386 CB THR A 25 -22.224 -19.860 -18.374 1.00 34.13 C ATOM 387 OG1 THR A 25 -23.199 -20.912 -18.417 1.00 41.34 O ATOM 388 CG2 THR A 25 -21.868 -19.558 -16.926 1.00 11.02 C ATOM 0 H THR A 25 -22.917 -19.849 -20.756 1.00 64.52 H new ATOM 0 HA THR A 25 -23.673 -18.277 -18.540 1.00 54.24 H new ATOM 0 HB THR A 25 -21.317 -20.170 -18.894 1.00 34.13 H new ATOM 0 HG1 THR A 25 -23.203 -21.390 -17.561 1.00 41.34 H new ATOM 0 HG21 THR A 25 -21.474 -20.458 -16.453 1.00 11.02 H new ATOM 0 HG22 THR A 25 -21.114 -18.771 -16.893 1.00 11.02 H new ATOM 0 HG23 THR A 25 -22.760 -19.229 -16.393 1.00 11.02 H new ATOM 396 N THR A 26 -22.211 -16.299 -18.696 1.00 41.21 N ATOM 397 CA THR A 26 -21.359 -15.126 -18.612 1.00 23.23 C ATOM 398 C THR A 26 -20.910 -14.888 -17.175 1.00 60.31 C ATOM 399 O THR A 26 -21.512 -15.414 -16.238 1.00 70.30 O ATOM 400 CB THR A 26 -22.085 -13.878 -19.173 1.00 52.42 C ATOM 401 OG1 THR A 26 -21.358 -12.685 -18.861 1.00 51.14 O ATOM 402 CG2 THR A 26 -23.502 -13.772 -18.627 1.00 42.32 C ATOM 0 H THR A 26 -23.186 -16.122 -18.453 1.00 41.21 H new ATOM 0 HA THR A 26 -20.473 -15.305 -19.221 1.00 23.23 H new ATOM 0 HB THR A 26 -22.138 -13.990 -20.256 1.00 52.42 H new ATOM 0 HG1 THR A 26 -21.832 -11.908 -19.225 1.00 51.14 H new ATOM 0 HG21 THR A 26 -23.985 -12.886 -19.039 1.00 42.32 H new ATOM 0 HG22 THR A 26 -24.068 -14.659 -18.910 1.00 42.32 H new ATOM 0 HG23 THR A 26 -23.468 -13.694 -17.540 1.00 42.32 H new ATOM 410 N ASP A 27 -19.843 -14.108 -17.029 1.00 41.25 N ATOM 411 CA ASP A 27 -19.234 -13.808 -15.734 1.00 43.45 C ATOM 412 C ASP A 27 -20.284 -13.432 -14.697 1.00 64.25 C ATOM 413 O ASP A 27 -20.305 -13.972 -13.590 1.00 71.51 O ATOM 414 CB ASP A 27 -18.243 -12.649 -15.876 1.00 12.00 C ATOM 415 CG ASP A 27 -17.249 -12.842 -17.004 1.00 31.32 C ATOM 416 OD1 ASP A 27 -17.644 -12.692 -18.176 1.00 72.10 O ATOM 417 OD2 ASP A 27 -16.065 -13.125 -16.724 1.00 62.23 O ATOM 0 H ASP A 27 -19.370 -13.661 -17.814 1.00 41.25 H new ATOM 0 HA ASP A 27 -18.717 -14.707 -15.399 1.00 43.45 H new ATOM 0 HB2 ASP A 27 -18.797 -11.725 -16.044 1.00 12.00 H new ATOM 0 HB3 ASP A 27 -17.699 -12.529 -14.939 1.00 12.00 H new ATOM 422 N GLU A 28 -21.165 -12.513 -15.072 1.00 44.32 N ATOM 423 CA GLU A 28 -22.209 -12.040 -14.173 1.00 12.34 C ATOM 424 C GLU A 28 -23.182 -13.154 -13.810 1.00 42.24 C ATOM 425 O GLU A 28 -23.586 -13.286 -12.655 1.00 44.20 O ATOM 426 CB GLU A 28 -22.972 -10.879 -14.807 1.00 42.25 C ATOM 427 CG GLU A 28 -23.577 -11.209 -16.161 1.00 23.01 C ATOM 428 CD GLU A 28 -24.608 -10.197 -16.603 1.00 62.33 C ATOM 429 OE1 GLU A 28 -25.755 -10.599 -16.892 1.00 31.42 O ATOM 430 OE2 GLU A 28 -24.284 -8.995 -16.649 1.00 4.13 O ATOM 0 H GLU A 28 -21.177 -12.080 -15.995 1.00 44.32 H new ATOM 0 HA GLU A 28 -21.723 -11.699 -13.259 1.00 12.34 H new ATOM 0 HB2 GLU A 28 -23.768 -10.567 -14.130 1.00 42.25 H new ATOM 0 HB3 GLU A 28 -22.297 -10.030 -14.918 1.00 42.25 H new ATOM 0 HG2 GLU A 28 -22.783 -11.261 -16.906 1.00 23.01 H new ATOM 0 HG3 GLU A 28 -24.038 -12.196 -16.117 1.00 23.01 H new ATOM 437 N SER A 29 -23.538 -13.963 -14.795 1.00 3.11 N ATOM 438 CA SER A 29 -24.516 -15.017 -14.597 1.00 35.12 C ATOM 439 C SER A 29 -23.930 -16.107 -13.715 1.00 63.31 C ATOM 440 O SER A 29 -24.616 -16.679 -12.871 1.00 0.22 O ATOM 441 CB SER A 29 -24.945 -15.596 -15.946 1.00 44.51 C ATOM 442 OG SER A 29 -26.060 -16.457 -15.812 1.00 2.10 O ATOM 0 H SER A 29 -23.162 -13.908 -15.742 1.00 3.11 H new ATOM 0 HA SER A 29 -25.394 -14.600 -14.103 1.00 35.12 H new ATOM 0 HB2 SER A 29 -25.192 -14.784 -16.629 1.00 44.51 H new ATOM 0 HB3 SER A 29 -24.113 -16.143 -16.389 1.00 44.51 H new ATOM 0 HG SER A 29 -26.309 -16.809 -16.692 1.00 2.10 H new ATOM 448 N LEU A 30 -22.640 -16.353 -13.887 1.00 31.04 N ATOM 449 CA LEU A 30 -21.968 -17.409 -13.153 1.00 32.54 C ATOM 450 C LEU A 30 -21.877 -17.026 -11.682 1.00 31.35 C ATOM 451 O LEU A 30 -22.275 -17.793 -10.808 1.00 3.51 O ATOM 452 CB LEU A 30 -20.574 -17.671 -13.745 1.00 24.30 C ATOM 453 CG LEU A 30 -20.014 -19.085 -13.520 1.00 22.24 C ATOM 454 CD1 LEU A 30 -18.771 -19.307 -14.358 1.00 50.23 C ATOM 455 CD2 LEU A 30 -19.692 -19.323 -12.059 1.00 42.05 C ATOM 0 H LEU A 30 -22.040 -15.835 -14.529 1.00 31.04 H new ATOM 0 HA LEU A 30 -22.542 -18.331 -13.239 1.00 32.54 H new ATOM 0 HB2 LEU A 30 -20.612 -17.481 -14.818 1.00 24.30 H new ATOM 0 HB3 LEU A 30 -19.876 -16.951 -13.318 1.00 24.30 H new ATOM 0 HG LEU A 30 -20.783 -19.794 -13.825 1.00 22.24 H new ATOM 0 HD11 LEU A 30 -18.390 -20.313 -14.184 1.00 50.23 H new ATOM 0 HD12 LEU A 30 -19.018 -19.189 -15.413 1.00 50.23 H new ATOM 0 HD13 LEU A 30 -18.010 -18.578 -14.080 1.00 50.23 H new ATOM 0 HD21 LEU A 30 -19.298 -20.331 -11.933 1.00 42.05 H new ATOM 0 HD22 LEU A 30 -18.948 -18.599 -11.728 1.00 42.05 H new ATOM 0 HD23 LEU A 30 -20.598 -19.210 -11.464 1.00 42.05 H new ATOM 467 N ARG A 31 -21.394 -15.818 -11.413 1.00 1.41 N ATOM 468 CA ARG A 31 -21.273 -15.357 -10.038 1.00 15.40 C ATOM 469 C ARG A 31 -22.650 -15.273 -9.387 1.00 44.31 C ATOM 470 O ARG A 31 -22.792 -15.543 -8.206 1.00 1.20 O ATOM 471 CB ARG A 31 -20.581 -13.992 -9.952 1.00 64.51 C ATOM 472 CG ARG A 31 -21.507 -12.816 -10.211 1.00 20.21 C ATOM 473 CD ARG A 31 -20.814 -11.491 -9.975 1.00 14.11 C ATOM 474 NE ARG A 31 -20.607 -11.239 -8.554 1.00 52.23 N ATOM 475 CZ ARG A 31 -19.480 -10.756 -8.037 1.00 50.14 C ATOM 476 NH1 ARG A 31 -18.452 -10.475 -8.828 1.00 51.01 N ATOM 477 NH2 ARG A 31 -19.390 -10.550 -6.729 1.00 52.30 N ATOM 0 H ARG A 31 -21.084 -15.150 -12.119 1.00 1.41 H new ATOM 0 HA ARG A 31 -20.657 -16.082 -9.506 1.00 15.40 H new ATOM 0 HB2 ARG A 31 -20.138 -13.882 -8.962 1.00 64.51 H new ATOM 0 HB3 ARG A 31 -19.763 -13.964 -10.672 1.00 64.51 H new ATOM 0 HG2 ARG A 31 -21.870 -12.858 -11.238 1.00 20.21 H new ATOM 0 HG3 ARG A 31 -22.379 -12.891 -9.562 1.00 20.21 H new ATOM 0 HD2 ARG A 31 -19.853 -11.486 -10.490 1.00 14.11 H new ATOM 0 HD3 ARG A 31 -21.410 -10.686 -10.405 1.00 14.11 H new ATOM 0 HE ARG A 31 -21.375 -11.446 -7.915 1.00 52.23 H new ATOM 0 HH11 ARG A 31 -18.525 -10.629 -9.834 1.00 51.01 H new ATOM 0 HH12 ARG A 31 -17.589 -10.105 -8.430 1.00 51.01 H new ATOM 0 HH21 ARG A 31 -20.183 -10.762 -6.124 1.00 52.30 H new ATOM 0 HH22 ARG A 31 -18.528 -10.180 -6.329 1.00 52.30 H new ATOM 491 N SER A 32 -23.666 -14.923 -10.172 1.00 35.23 N ATOM 492 CA SER A 32 -25.013 -14.762 -9.646 1.00 52.44 C ATOM 493 C SER A 32 -25.524 -16.083 -9.078 1.00 14.44 C ATOM 494 O SER A 32 -26.182 -16.115 -8.037 1.00 42.11 O ATOM 495 CB SER A 32 -25.957 -14.252 -10.741 1.00 24.33 C ATOM 496 OG SER A 32 -27.233 -13.930 -10.216 1.00 31.11 O ATOM 0 H SER A 32 -23.579 -14.746 -11.173 1.00 35.23 H new ATOM 0 HA SER A 32 -24.985 -14.027 -8.842 1.00 52.44 H new ATOM 0 HB2 SER A 32 -25.524 -13.371 -11.215 1.00 24.33 H new ATOM 0 HB3 SER A 32 -26.062 -15.012 -11.516 1.00 24.33 H new ATOM 0 HG SER A 32 -27.812 -13.606 -10.938 1.00 31.11 H new ATOM 502 N HIS A 33 -25.188 -17.173 -9.748 1.00 52.32 N ATOM 503 CA HIS A 33 -25.621 -18.489 -9.315 1.00 40.34 C ATOM 504 C HIS A 33 -24.697 -19.054 -8.238 1.00 62.45 C ATOM 505 O HIS A 33 -25.021 -20.051 -7.608 1.00 70.11 O ATOM 506 CB HIS A 33 -25.696 -19.451 -10.504 1.00 23.53 C ATOM 507 CG HIS A 33 -26.888 -19.230 -11.392 1.00 52.21 C ATOM 508 ND1 HIS A 33 -28.090 -19.850 -11.147 1.00 61.50 N ATOM 509 CD2 HIS A 33 -27.007 -18.470 -12.510 1.00 23.10 C ATOM 510 CE1 HIS A 33 -28.906 -19.460 -12.110 1.00 61.31 C ATOM 511 NE2 HIS A 33 -28.294 -18.625 -12.958 1.00 22.23 N ATOM 0 H HIS A 33 -24.617 -17.171 -10.593 1.00 52.32 H new ATOM 0 HA HIS A 33 -26.617 -18.382 -8.884 1.00 40.34 H new ATOM 0 HB2 HIS A 33 -24.788 -19.349 -11.099 1.00 23.53 H new ATOM 0 HB3 HIS A 33 -25.719 -20.474 -10.130 1.00 23.53 H new ATOM 0 HD2 HIS A 33 -26.237 -17.861 -12.960 1.00 23.10 H new ATOM 0 HE1 HIS A 33 -29.935 -19.775 -12.201 1.00 61.31 H new ATOM 0 HE2 HIS A 33 -28.707 -18.187 -13.782 1.00 22.23 H new ATOM 519 N PHE A 34 -23.550 -18.418 -8.016 1.00 55.24 N ATOM 520 CA PHE A 34 -22.605 -18.905 -7.017 1.00 23.02 C ATOM 521 C PHE A 34 -22.521 -17.986 -5.797 1.00 22.12 C ATOM 522 O PHE A 34 -22.016 -18.391 -4.751 1.00 11.25 O ATOM 523 CB PHE A 34 -21.221 -19.099 -7.639 1.00 62.20 C ATOM 524 CG PHE A 34 -21.077 -20.395 -8.393 1.00 5.23 C ATOM 525 CD1 PHE A 34 -20.394 -21.460 -7.830 1.00 71.33 C ATOM 526 CD2 PHE A 34 -21.624 -20.549 -9.655 1.00 54.34 C ATOM 527 CE1 PHE A 34 -20.259 -22.654 -8.512 1.00 0.41 C ATOM 528 CE2 PHE A 34 -21.492 -21.740 -10.344 1.00 14.14 C ATOM 529 CZ PHE A 34 -20.809 -22.795 -9.772 1.00 32.23 C ATOM 0 H PHE A 34 -23.255 -17.574 -8.508 1.00 55.24 H new ATOM 0 HA PHE A 34 -22.977 -19.868 -6.667 1.00 23.02 H new ATOM 0 HB2 PHE A 34 -21.016 -18.269 -8.316 1.00 62.20 H new ATOM 0 HB3 PHE A 34 -20.469 -19.061 -6.851 1.00 62.20 H new ATOM 0 HD1 PHE A 34 -19.962 -21.356 -6.846 1.00 71.33 H new ATOM 0 HD2 PHE A 34 -22.161 -19.728 -10.107 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -19.724 -23.477 -8.061 1.00 0.41 H new ATOM 0 HE2 PHE A 34 -21.923 -21.845 -11.329 1.00 14.14 H new ATOM 0 HZ PHE A 34 -20.705 -23.727 -10.307 1.00 32.23 H new ATOM 539 N GLU A 35 -23.041 -16.762 -5.917 1.00 64.51 N ATOM 540 CA GLU A 35 -23.043 -15.802 -4.805 1.00 23.03 C ATOM 541 C GLU A 35 -24.111 -16.156 -3.772 1.00 23.51 C ATOM 542 O GLU A 35 -24.466 -15.347 -2.915 1.00 15.34 O ATOM 543 CB GLU A 35 -23.275 -14.371 -5.302 1.00 5.34 C ATOM 544 CG GLU A 35 -22.027 -13.683 -5.821 1.00 64.11 C ATOM 545 CD GLU A 35 -22.225 -12.206 -6.078 1.00 35.32 C ATOM 546 OE1 GLU A 35 -21.685 -11.389 -5.304 1.00 11.32 O ATOM 547 OE2 GLU A 35 -22.897 -11.851 -7.068 1.00 22.24 O ATOM 0 H GLU A 35 -23.467 -16.410 -6.774 1.00 64.51 H new ATOM 0 HA GLU A 35 -22.060 -15.858 -4.336 1.00 23.03 H new ATOM 0 HB2 GLU A 35 -24.022 -14.391 -6.095 1.00 5.34 H new ATOM 0 HB3 GLU A 35 -23.691 -13.778 -4.487 1.00 5.34 H new ATOM 0 HG2 GLU A 35 -21.220 -13.815 -5.100 1.00 64.11 H new ATOM 0 HG3 GLU A 35 -21.711 -14.167 -6.745 1.00 64.11 H new ATOM 554 N GLN A 36 -24.610 -17.375 -3.856 1.00 31.42 N ATOM 555 CA GLN A 36 -25.632 -17.849 -2.942 1.00 42.42 C ATOM 556 C GLN A 36 -25.004 -18.577 -1.768 1.00 51.15 C ATOM 557 O GLN A 36 -25.472 -18.477 -0.637 1.00 2.54 O ATOM 558 CB GLN A 36 -26.595 -18.771 -3.673 1.00 43.32 C ATOM 559 CG GLN A 36 -27.487 -18.042 -4.659 1.00 30.53 C ATOM 560 CD GLN A 36 -28.303 -18.986 -5.508 1.00 61.03 C ATOM 561 OE1 GLN A 36 -29.418 -19.363 -5.144 1.00 34.21 O ATOM 562 NE2 GLN A 36 -27.743 -19.388 -6.636 1.00 41.02 N ATOM 0 H GLN A 36 -24.321 -18.060 -4.554 1.00 31.42 H new ATOM 0 HA GLN A 36 -26.181 -16.989 -2.560 1.00 42.42 H new ATOM 0 HB2 GLN A 36 -26.025 -19.534 -4.204 1.00 43.32 H new ATOM 0 HB3 GLN A 36 -27.218 -19.288 -2.943 1.00 43.32 H new ATOM 0 HG2 GLN A 36 -28.157 -17.377 -4.115 1.00 30.53 H new ATOM 0 HG3 GLN A 36 -26.872 -17.416 -5.306 1.00 30.53 H new ATOM 0 HE21 GLN A 36 -26.817 -19.048 -6.895 1.00 41.02 H new ATOM 0 HE22 GLN A 36 -28.237 -20.038 -7.247 1.00 41.02 H new ATOM 571 N TRP A 37 -23.928 -19.296 -2.041 1.00 31.32 N ATOM 572 CA TRP A 37 -23.249 -20.065 -1.014 1.00 53.45 C ATOM 573 C TRP A 37 -22.006 -19.327 -0.540 1.00 1.33 C ATOM 574 O TRP A 37 -21.175 -19.880 0.181 1.00 1.45 O ATOM 575 CB TRP A 37 -22.890 -21.459 -1.544 1.00 21.20 C ATOM 576 CG TRP A 37 -24.096 -22.273 -1.918 1.00 33.35 C ATOM 577 CD1 TRP A 37 -24.752 -23.172 -1.130 1.00 32.14 C ATOM 578 CD2 TRP A 37 -24.796 -22.258 -3.168 1.00 12.01 C ATOM 579 NE1 TRP A 37 -25.817 -23.709 -1.806 1.00 34.23 N ATOM 580 CE2 TRP A 37 -25.866 -23.167 -3.060 1.00 11.15 C ATOM 581 CE3 TRP A 37 -24.625 -21.565 -4.366 1.00 32.20 C ATOM 582 CZ2 TRP A 37 -26.757 -23.399 -4.103 1.00 35.04 C ATOM 583 CZ3 TRP A 37 -25.510 -21.798 -5.398 1.00 3.41 C ATOM 584 CH2 TRP A 37 -26.565 -22.706 -5.262 1.00 32.43 C ATOM 0 H TRP A 37 -23.506 -19.363 -2.967 1.00 31.32 H new ATOM 0 HA TRP A 37 -23.919 -20.187 -0.163 1.00 53.45 H new ATOM 0 HB2 TRP A 37 -22.244 -21.355 -2.416 1.00 21.20 H new ATOM 0 HB3 TRP A 37 -22.318 -21.994 -0.786 1.00 21.20 H new ATOM 0 HD1 TRP A 37 -24.473 -23.425 -0.118 1.00 32.14 H new ATOM 0 HE1 TRP A 37 -26.467 -24.401 -1.434 1.00 34.23 H new ATOM 0 HE3 TRP A 37 -23.816 -20.860 -4.483 1.00 32.20 H new ATOM 0 HZ2 TRP A 37 -27.570 -24.102 -3.999 1.00 35.04 H new ATOM 0 HZ3 TRP A 37 -25.386 -21.268 -6.331 1.00 3.41 H new ATOM 0 HH2 TRP A 37 -27.240 -22.861 -6.090 1.00 32.43 H new ATOM 595 N GLY A 38 -21.892 -18.066 -0.946 1.00 13.45 N ATOM 596 CA GLY A 38 -20.773 -17.250 -0.528 1.00 61.15 C ATOM 597 C GLY A 38 -20.602 -16.018 -1.389 1.00 64.31 C ATOM 598 O GLY A 38 -21.490 -15.664 -2.163 1.00 14.21 O ATOM 0 H GLY A 38 -22.558 -17.596 -1.559 1.00 13.45 H new ATOM 0 HA2 GLY A 38 -20.915 -16.948 0.509 1.00 61.15 H new ATOM 0 HA3 GLY A 38 -19.860 -17.844 -0.564 1.00 61.15 H new ATOM 602 N THR A 39 -19.456 -15.375 -1.260 1.00 12.50 N ATOM 603 CA THR A 39 -19.157 -14.164 -2.005 1.00 32.52 C ATOM 604 C THR A 39 -18.000 -14.393 -2.969 1.00 22.31 C ATOM 605 O THR A 39 -16.916 -14.789 -2.553 1.00 41.02 O ATOM 606 CB THR A 39 -18.800 -13.017 -1.035 1.00 62.54 C ATOM 607 OG1 THR A 39 -19.974 -12.575 -0.342 1.00 43.10 O ATOM 608 CG2 THR A 39 -18.150 -11.847 -1.758 1.00 1.22 C ATOM 0 H THR A 39 -18.707 -15.676 -0.637 1.00 12.50 H new ATOM 0 HA THR A 39 -20.043 -13.892 -2.579 1.00 32.52 H new ATOM 0 HB THR A 39 -18.078 -13.405 -0.317 1.00 62.54 H new ATOM 0 HG1 THR A 39 -19.737 -11.849 0.272 1.00 43.10 H new ATOM 0 HG21 THR A 39 -17.914 -11.061 -1.040 1.00 1.22 H new ATOM 0 HG22 THR A 39 -17.233 -12.183 -2.243 1.00 1.22 H new ATOM 0 HG23 THR A 39 -18.836 -11.457 -2.510 1.00 1.22 H new ATOM 616 N LEU A 40 -18.219 -14.148 -4.257 1.00 11.01 N ATOM 617 CA LEU A 40 -17.130 -14.257 -5.212 1.00 31.54 C ATOM 618 C LEU A 40 -16.356 -12.952 -5.260 1.00 52.11 C ATOM 619 O LEU A 40 -16.896 -11.907 -5.625 1.00 43.23 O ATOM 620 CB LEU A 40 -17.608 -14.626 -6.625 1.00 14.51 C ATOM 621 CG LEU A 40 -18.363 -15.951 -6.768 1.00 34.23 C ATOM 622 CD1 LEU A 40 -17.830 -17.004 -5.825 1.00 52.42 C ATOM 623 CD2 LEU A 40 -19.840 -15.766 -6.559 1.00 53.01 C ATOM 0 H LEU A 40 -19.119 -13.879 -4.654 1.00 11.01 H new ATOM 0 HA LEU A 40 -16.487 -15.068 -4.869 1.00 31.54 H new ATOM 0 HB2 LEU A 40 -18.253 -13.825 -6.987 1.00 14.51 H new ATOM 0 HB3 LEU A 40 -16.739 -14.656 -7.282 1.00 14.51 H new ATOM 0 HG LEU A 40 -18.200 -16.298 -7.788 1.00 34.23 H new ATOM 0 HD11 LEU A 40 -18.392 -17.929 -5.957 1.00 52.42 H new ATOM 0 HD12 LEU A 40 -16.777 -17.185 -6.040 1.00 52.42 H new ATOM 0 HD13 LEU A 40 -17.936 -16.659 -4.797 1.00 52.42 H new ATOM 0 HD21 LEU A 40 -20.346 -16.725 -6.667 1.00 53.01 H new ATOM 0 HD22 LEU A 40 -20.019 -15.372 -5.559 1.00 53.01 H new ATOM 0 HD23 LEU A 40 -20.227 -15.066 -7.299 1.00 53.01 H new ATOM 635 N THR A 41 -15.102 -13.020 -4.862 1.00 41.12 N ATOM 636 CA THR A 41 -14.213 -11.879 -4.910 1.00 73.30 C ATOM 637 C THR A 41 -13.615 -11.750 -6.307 1.00 64.04 C ATOM 638 O THR A 41 -13.187 -10.671 -6.724 1.00 1.30 O ATOM 639 CB THR A 41 -13.087 -12.029 -3.868 1.00 32.24 C ATOM 640 OG1 THR A 41 -12.428 -13.292 -4.037 1.00 2.23 O ATOM 641 CG2 THR A 41 -13.644 -11.936 -2.456 1.00 14.12 C ATOM 0 H THR A 41 -14.671 -13.869 -4.496 1.00 41.12 H new ATOM 0 HA THR A 41 -14.784 -10.980 -4.678 1.00 73.30 H new ATOM 0 HB THR A 41 -12.373 -11.220 -4.019 1.00 32.24 H new ATOM 0 HG1 THR A 41 -12.755 -13.924 -3.363 1.00 2.23 H new ATOM 0 HG21 THR A 41 -12.832 -12.044 -1.737 1.00 14.12 H new ATOM 0 HG22 THR A 41 -14.125 -10.967 -2.317 1.00 14.12 H new ATOM 0 HG23 THR A 41 -14.375 -12.729 -2.300 1.00 14.12 H new ATOM 649 N ASP A 42 -13.599 -12.868 -7.023 1.00 44.34 N ATOM 650 CA ASP A 42 -13.074 -12.915 -8.377 1.00 21.50 C ATOM 651 C ASP A 42 -13.829 -13.931 -9.217 1.00 41.23 C ATOM 652 O ASP A 42 -13.583 -15.129 -9.119 1.00 43.15 O ATOM 653 CB ASP A 42 -11.594 -13.283 -8.348 1.00 41.43 C ATOM 654 CG ASP A 42 -11.011 -13.472 -9.734 1.00 71.20 C ATOM 655 OD1 ASP A 42 -10.688 -14.629 -10.090 1.00 52.34 O ATOM 656 OD2 ASP A 42 -10.884 -12.472 -10.470 1.00 14.14 O ATOM 0 H ASP A 42 -13.949 -13.763 -6.681 1.00 44.34 H new ATOM 0 HA ASP A 42 -13.200 -11.929 -8.824 1.00 21.50 H new ATOM 0 HB2 ASP A 42 -11.040 -12.501 -7.829 1.00 41.43 H new ATOM 0 HB3 ASP A 42 -11.463 -14.201 -7.775 1.00 41.43 H new ATOM 661 N CYS A 43 -14.763 -13.464 -10.020 1.00 74.21 N ATOM 662 CA CYS A 43 -15.478 -14.344 -10.924 1.00 51.52 C ATOM 663 C CYS A 43 -15.133 -13.993 -12.361 1.00 42.33 C ATOM 664 O CYS A 43 -14.980 -12.817 -12.700 1.00 43.51 O ATOM 665 CB CYS A 43 -16.990 -14.261 -10.693 1.00 63.42 C ATOM 666 SG CYS A 43 -17.988 -15.075 -11.965 1.00 1.12 S ATOM 0 H CYS A 43 -15.045 -12.485 -10.066 1.00 74.21 H new ATOM 0 HA CYS A 43 -15.171 -15.371 -10.726 1.00 51.52 H new ATOM 0 HB2 CYS A 43 -17.222 -14.707 -9.726 1.00 63.42 H new ATOM 0 HB3 CYS A 43 -17.280 -13.212 -10.638 1.00 63.42 H new ATOM 0 HG CYS A 43 -18.870 -14.238 -12.426 1.00 1.12 H new ATOM 672 N VAL A 44 -14.988 -15.009 -13.196 1.00 64.41 N ATOM 673 CA VAL A 44 -14.609 -14.797 -14.583 1.00 42.53 C ATOM 674 C VAL A 44 -14.931 -16.022 -15.432 1.00 12.22 C ATOM 675 O VAL A 44 -14.778 -17.156 -14.982 1.00 54.12 O ATOM 676 CB VAL A 44 -13.103 -14.453 -14.701 1.00 45.32 C ATOM 677 CG1 VAL A 44 -12.236 -15.590 -14.174 1.00 3.12 C ATOM 678 CG2 VAL A 44 -12.732 -14.108 -16.135 1.00 2.11 C ATOM 0 H VAL A 44 -15.127 -15.986 -12.938 1.00 64.41 H new ATOM 0 HA VAL A 44 -15.189 -13.953 -14.956 1.00 42.53 H new ATOM 0 HB VAL A 44 -12.914 -13.575 -14.084 1.00 45.32 H new ATOM 0 HG11 VAL A 44 -11.184 -15.320 -14.270 1.00 3.12 H new ATOM 0 HG12 VAL A 44 -12.470 -15.770 -13.125 1.00 3.12 H new ATOM 0 HG13 VAL A 44 -12.432 -16.494 -14.750 1.00 3.12 H new ATOM 0 HG21 VAL A 44 -11.670 -13.871 -16.189 1.00 2.11 H new ATOM 0 HG22 VAL A 44 -12.947 -14.959 -16.781 1.00 2.11 H new ATOM 0 HG23 VAL A 44 -13.313 -13.247 -16.464 1.00 2.11 H new ATOM 688 N VAL A 45 -15.412 -15.792 -16.644 1.00 73.51 N ATOM 689 CA VAL A 45 -15.656 -16.876 -17.580 1.00 12.21 C ATOM 690 C VAL A 45 -14.771 -16.727 -18.801 1.00 60.31 C ATOM 691 O VAL A 45 -14.495 -15.614 -19.258 1.00 1.05 O ATOM 692 CB VAL A 45 -17.137 -16.958 -18.020 1.00 12.31 C ATOM 693 CG1 VAL A 45 -18.042 -17.045 -16.809 1.00 10.10 C ATOM 694 CG2 VAL A 45 -17.525 -15.780 -18.901 1.00 52.44 C ATOM 0 H VAL A 45 -15.641 -14.864 -17.001 1.00 73.51 H new ATOM 0 HA VAL A 45 -15.416 -17.802 -17.058 1.00 12.21 H new ATOM 0 HB VAL A 45 -17.260 -17.864 -18.614 1.00 12.31 H new ATOM 0 HG11 VAL A 45 -19.081 -17.102 -17.134 1.00 10.10 H new ATOM 0 HG12 VAL A 45 -17.793 -17.936 -16.232 1.00 10.10 H new ATOM 0 HG13 VAL A 45 -17.905 -16.160 -16.188 1.00 10.10 H new ATOM 0 HG21 VAL A 45 -18.572 -15.872 -19.191 1.00 52.44 H new ATOM 0 HG22 VAL A 45 -17.381 -14.851 -18.350 1.00 52.44 H new ATOM 0 HG23 VAL A 45 -16.901 -15.773 -19.794 1.00 52.44 H new ATOM 704 N MET A 46 -14.314 -17.849 -19.317 1.00 12.15 N ATOM 705 CA MET A 46 -13.432 -17.844 -20.462 1.00 60.24 C ATOM 706 C MET A 46 -14.223 -17.918 -21.746 1.00 34.41 C ATOM 707 O MET A 46 -15.189 -18.676 -21.853 1.00 53.51 O ATOM 708 CB MET A 46 -12.449 -19.006 -20.394 1.00 74.22 C ATOM 709 CG MET A 46 -11.315 -18.786 -19.415 1.00 23.24 C ATOM 710 SD MET A 46 -11.857 -18.634 -17.710 1.00 4.43 S ATOM 711 CE MET A 46 -10.274 -18.351 -16.936 1.00 70.33 C ATOM 0 H MET A 46 -14.540 -18.777 -18.960 1.00 12.15 H new ATOM 0 HA MET A 46 -12.871 -16.909 -20.446 1.00 60.24 H new ATOM 0 HB2 MET A 46 -12.988 -19.911 -20.114 1.00 74.22 H new ATOM 0 HB3 MET A 46 -12.033 -19.177 -21.387 1.00 74.22 H new ATOM 0 HG2 MET A 46 -10.613 -19.617 -19.492 1.00 23.24 H new ATOM 0 HG3 MET A 46 -10.773 -17.884 -19.697 1.00 23.24 H new ATOM 0 HE1 MET A 46 -10.425 -18.039 -15.903 1.00 70.33 H new ATOM 0 HE2 MET A 46 -9.690 -19.271 -16.956 1.00 70.33 H new ATOM 0 HE3 MET A 46 -9.739 -17.570 -17.476 1.00 70.33 H new ATOM 856 N ARG A 55 -16.340 -20.571 -23.403 1.00 31.41 N ATOM 857 CA ARG A 55 -15.659 -21.796 -23.800 1.00 1.13 C ATOM 858 C ARG A 55 -16.433 -23.029 -23.366 1.00 62.22 C ATOM 859 O ARG A 55 -16.538 -24.000 -24.112 1.00 32.33 O ATOM 860 CB ARG A 55 -14.254 -21.844 -23.202 1.00 54.42 C ATOM 861 CG ARG A 55 -13.330 -20.751 -23.714 1.00 14.12 C ATOM 862 CD ARG A 55 -11.922 -21.267 -23.971 1.00 62.05 C ATOM 863 NE ARG A 55 -11.846 -22.048 -25.206 1.00 34.31 N ATOM 864 CZ ARG A 55 -10.755 -22.135 -25.972 1.00 63.15 C ATOM 865 NH1 ARG A 55 -9.614 -21.575 -25.579 1.00 24.13 N ATOM 866 NH2 ARG A 55 -10.805 -22.799 -27.123 1.00 32.45 N ATOM 0 HA ARG A 55 -15.593 -21.794 -24.888 1.00 1.13 H new ATOM 0 HB2 ARG A 55 -14.328 -21.765 -22.117 1.00 54.42 H new ATOM 0 HB3 ARG A 55 -13.809 -22.815 -23.421 1.00 54.42 H new ATOM 0 HG2 ARG A 55 -13.737 -20.335 -24.635 1.00 14.12 H new ATOM 0 HG3 ARG A 55 -13.291 -19.939 -22.987 1.00 14.12 H new ATOM 0 HD2 ARG A 55 -11.232 -20.425 -24.030 1.00 62.05 H new ATOM 0 HD3 ARG A 55 -11.602 -21.883 -23.131 1.00 62.05 H new ATOM 0 HE ARG A 55 -12.679 -22.558 -25.501 1.00 34.31 H new ATOM 0 HH11 ARG A 55 -9.570 -21.077 -24.690 1.00 24.13 H new ATOM 0 HH12 ARG A 55 -8.783 -21.644 -26.167 1.00 24.13 H new ATOM 0 HH21 ARG A 55 -11.675 -23.241 -27.420 1.00 32.45 H new ATOM 0 HH22 ARG A 55 -9.973 -22.867 -27.709 1.00 32.45 H new ATOM 880 N GLY A 56 -16.993 -22.966 -22.172 1.00 50.21 N ATOM 881 CA GLY A 56 -17.621 -24.127 -21.576 1.00 65.10 C ATOM 882 C GLY A 56 -17.173 -24.315 -20.142 1.00 22.34 C ATOM 883 O GLY A 56 -17.500 -25.317 -19.504 1.00 42.24 O ATOM 0 H GLY A 56 -17.025 -22.124 -21.598 1.00 50.21 H new ATOM 0 HA2 GLY A 56 -18.705 -24.015 -21.610 1.00 65.10 H new ATOM 0 HA3 GLY A 56 -17.374 -25.016 -22.157 1.00 65.10 H new ATOM 887 N PHE A 57 -16.429 -23.334 -19.636 1.00 30.23 N ATOM 888 CA PHE A 57 -15.976 -23.335 -18.250 1.00 31.43 C ATOM 889 C PHE A 57 -15.702 -21.914 -17.768 1.00 31.44 C ATOM 890 O PHE A 57 -15.558 -20.986 -18.573 1.00 32.21 O ATOM 891 CB PHE A 57 -14.723 -24.210 -18.065 1.00 14.14 C ATOM 892 CG PHE A 57 -13.593 -23.887 -19.002 1.00 52.31 C ATOM 893 CD1 PHE A 57 -12.756 -22.807 -18.770 1.00 25.22 C ATOM 894 CD2 PHE A 57 -13.376 -24.670 -20.118 1.00 23.44 C ATOM 895 CE1 PHE A 57 -11.723 -22.515 -19.642 1.00 2.13 C ATOM 896 CE2 PHE A 57 -12.345 -24.386 -20.993 1.00 23.10 C ATOM 897 CZ PHE A 57 -11.519 -23.305 -20.757 1.00 64.32 C ATOM 0 H PHE A 57 -16.126 -22.521 -20.173 1.00 30.23 H new ATOM 0 HA PHE A 57 -16.777 -23.762 -17.647 1.00 31.43 H new ATOM 0 HB2 PHE A 57 -14.369 -24.104 -17.039 1.00 14.14 H new ATOM 0 HB3 PHE A 57 -15.002 -25.255 -18.199 1.00 14.14 H new ATOM 0 HD1 PHE A 57 -12.912 -22.187 -17.899 1.00 25.22 H new ATOM 0 HD2 PHE A 57 -14.020 -25.515 -20.310 1.00 23.44 H new ATOM 0 HE1 PHE A 57 -11.077 -21.671 -19.452 1.00 2.13 H new ATOM 0 HE2 PHE A 57 -12.185 -25.009 -21.861 1.00 23.10 H new ATOM 0 HZ PHE A 57 -10.716 -23.078 -21.442 1.00 64.32 H new ATOM 907 N GLY A 58 -15.645 -21.758 -16.457 1.00 21.34 N ATOM 908 CA GLY A 58 -15.354 -20.477 -15.853 1.00 75.10 C ATOM 909 C GLY A 58 -14.804 -20.649 -14.454 1.00 3.02 C ATOM 910 O GLY A 58 -14.654 -21.778 -13.981 1.00 41.22 O ATOM 0 H GLY A 58 -15.799 -22.512 -15.788 1.00 21.34 H new ATOM 0 HA2 GLY A 58 -14.633 -19.937 -16.467 1.00 75.10 H new ATOM 0 HA3 GLY A 58 -16.260 -19.873 -15.819 1.00 75.10 H new ATOM 914 N PHE A 59 -14.504 -19.547 -13.787 1.00 13.21 N ATOM 915 CA PHE A 59 -13.936 -19.600 -12.450 1.00 23.31 C ATOM 916 C PHE A 59 -14.624 -18.614 -11.517 1.00 75.41 C ATOM 917 O PHE A 59 -15.141 -17.582 -11.949 1.00 33.14 O ATOM 918 CB PHE A 59 -12.439 -19.295 -12.486 1.00 11.25 C ATOM 919 CG PHE A 59 -11.612 -20.343 -13.173 1.00 53.15 C ATOM 920 CD1 PHE A 59 -11.066 -21.391 -12.455 1.00 10.42 C ATOM 921 CD2 PHE A 59 -11.373 -20.272 -14.532 1.00 22.14 C ATOM 922 CE1 PHE A 59 -10.293 -22.347 -13.082 1.00 45.23 C ATOM 923 CE2 PHE A 59 -10.604 -21.225 -15.167 1.00 33.44 C ATOM 924 CZ PHE A 59 -10.062 -22.265 -14.441 1.00 60.42 C ATOM 0 H PHE A 59 -14.644 -18.604 -14.150 1.00 13.21 H new ATOM 0 HA PHE A 59 -14.092 -20.611 -12.072 1.00 23.31 H new ATOM 0 HB2 PHE A 59 -12.286 -18.340 -12.990 1.00 11.25 H new ATOM 0 HB3 PHE A 59 -12.079 -19.177 -11.464 1.00 11.25 H new ATOM 0 HD1 PHE A 59 -11.246 -21.462 -11.393 1.00 10.42 H new ATOM 0 HD2 PHE A 59 -11.794 -19.459 -15.105 1.00 22.14 H new ATOM 0 HE1 PHE A 59 -9.869 -23.159 -12.510 1.00 45.23 H new ATOM 0 HE2 PHE A 59 -10.427 -21.157 -16.230 1.00 33.44 H new ATOM 0 HZ PHE A 59 -9.459 -23.013 -14.934 1.00 60.42 H new ATOM 934 N VAL A 60 -14.607 -18.941 -10.235 1.00 2.53 N ATOM 935 CA VAL A 60 -15.196 -18.096 -9.202 1.00 41.54 C ATOM 936 C VAL A 60 -14.424 -18.236 -7.901 1.00 74.35 C ATOM 937 O VAL A 60 -14.419 -19.292 -7.276 1.00 21.24 O ATOM 938 CB VAL A 60 -16.688 -18.407 -8.944 1.00 73.53 C ATOM 939 CG1 VAL A 60 -17.580 -17.522 -9.788 1.00 31.41 C ATOM 940 CG2 VAL A 60 -17.004 -19.855 -9.222 1.00 21.12 C ATOM 0 H VAL A 60 -14.185 -19.799 -9.879 1.00 2.53 H new ATOM 0 HA VAL A 60 -15.133 -17.072 -9.572 1.00 41.54 H new ATOM 0 HB VAL A 60 -16.881 -18.205 -7.890 1.00 73.53 H new ATOM 0 HG11 VAL A 60 -18.624 -17.761 -9.587 1.00 31.41 H new ATOM 0 HG12 VAL A 60 -17.393 -16.477 -9.542 1.00 31.41 H new ATOM 0 HG13 VAL A 60 -17.366 -17.690 -10.843 1.00 31.41 H new ATOM 0 HG21 VAL A 60 -18.061 -20.040 -9.031 1.00 21.12 H new ATOM 0 HG22 VAL A 60 -16.778 -20.083 -10.264 1.00 21.12 H new ATOM 0 HG23 VAL A 60 -16.401 -20.490 -8.573 1.00 21.12 H new ATOM 950 N THR A 61 -13.753 -17.171 -7.519 1.00 40.01 N ATOM 951 CA THR A 61 -12.975 -17.150 -6.300 1.00 33.25 C ATOM 952 C THR A 61 -13.829 -16.605 -5.168 1.00 64.23 C ATOM 953 O THR A 61 -14.276 -15.465 -5.228 1.00 33.40 O ATOM 954 CB THR A 61 -11.721 -16.269 -6.466 1.00 63.23 C ATOM 955 OG1 THR A 61 -11.118 -16.513 -7.747 1.00 53.11 O ATOM 956 CG2 THR A 61 -10.707 -16.544 -5.365 1.00 54.12 C ATOM 0 H THR A 61 -13.732 -16.297 -8.044 1.00 40.01 H new ATOM 0 HA THR A 61 -12.657 -18.167 -6.072 1.00 33.25 H new ATOM 0 HB THR A 61 -12.029 -15.226 -6.398 1.00 63.23 H new ATOM 0 HG1 THR A 61 -11.685 -16.137 -8.452 1.00 53.11 H new ATOM 0 HG21 THR A 61 -9.833 -15.908 -5.508 1.00 54.12 H new ATOM 0 HG22 THR A 61 -11.156 -16.331 -4.395 1.00 54.12 H new ATOM 0 HG23 THR A 61 -10.404 -17.590 -5.402 1.00 54.12 H new ATOM 964 N TYR A 62 -14.077 -17.420 -4.161 1.00 75.24 N ATOM 965 CA TYR A 62 -14.890 -16.995 -3.034 1.00 31.21 C ATOM 966 C TYR A 62 -14.074 -16.133 -2.074 1.00 1.40 C ATOM 967 O TYR A 62 -12.882 -15.902 -2.294 1.00 22.54 O ATOM 968 CB TYR A 62 -15.469 -18.207 -2.301 1.00 73.52 C ATOM 969 CG TYR A 62 -16.687 -18.806 -2.973 1.00 72.44 C ATOM 970 CD1 TYR A 62 -17.963 -18.414 -2.592 1.00 1.43 C ATOM 971 CD2 TYR A 62 -16.567 -19.760 -3.977 1.00 30.10 C ATOM 972 CE1 TYR A 62 -19.085 -18.954 -3.186 1.00 44.13 C ATOM 973 CE2 TYR A 62 -17.689 -20.304 -4.580 1.00 34.52 C ATOM 974 CZ TYR A 62 -18.944 -19.897 -4.177 1.00 61.43 C ATOM 975 OH TYR A 62 -20.065 -20.428 -4.770 1.00 21.54 O ATOM 0 H TYR A 62 -13.730 -18.377 -4.098 1.00 75.24 H new ATOM 0 HA TYR A 62 -15.716 -16.395 -3.417 1.00 31.21 H new ATOM 0 HB2 TYR A 62 -14.698 -18.973 -2.220 1.00 73.52 H new ATOM 0 HB3 TYR A 62 -15.734 -17.913 -1.286 1.00 73.52 H new ATOM 0 HD1 TYR A 62 -18.080 -17.672 -1.816 1.00 1.43 H new ATOM 0 HD2 TYR A 62 -15.585 -20.082 -4.291 1.00 30.10 H new ATOM 0 HE1 TYR A 62 -20.069 -18.638 -2.874 1.00 44.13 H new ATOM 0 HE2 TYR A 62 -17.582 -21.042 -5.361 1.00 34.52 H new ATOM 0 HH TYR A 62 -20.777 -19.754 -4.786 1.00 21.54 H new ATOM 985 N ALA A 63 -14.717 -15.651 -1.019 1.00 25.33 N ATOM 986 CA ALA A 63 -14.039 -14.829 -0.033 1.00 50.31 C ATOM 987 C ALA A 63 -13.210 -15.712 0.887 1.00 35.21 C ATOM 988 O ALA A 63 -12.102 -15.354 1.290 1.00 45.33 O ATOM 989 CB ALA A 63 -15.049 -14.010 0.761 1.00 53.24 C ATOM 0 H ALA A 63 -15.705 -15.816 -0.827 1.00 25.33 H new ATOM 0 HA ALA A 63 -13.372 -14.134 -0.543 1.00 50.31 H new ATOM 0 HB1 ALA A 63 -14.525 -13.399 1.496 1.00 53.24 H new ATOM 0 HB2 ALA A 63 -15.606 -13.364 0.083 1.00 53.24 H new ATOM 0 HB3 ALA A 63 -15.739 -14.681 1.273 1.00 53.24 H new ATOM 995 N THR A 64 -13.748 -16.882 1.186 1.00 14.22 N ATOM 996 CA THR A 64 -13.057 -17.856 2.007 1.00 43.13 C ATOM 997 C THR A 64 -13.367 -19.266 1.519 1.00 61.34 C ATOM 998 O THR A 64 -14.382 -19.493 0.853 1.00 14.24 O ATOM 999 CB THR A 64 -13.431 -17.708 3.501 1.00 30.43 C ATOM 1000 OG1 THR A 64 -12.871 -18.782 4.267 1.00 22.13 O ATOM 1001 CG2 THR A 64 -14.939 -17.676 3.695 1.00 33.01 C ATOM 0 H THR A 64 -14.670 -17.180 0.868 1.00 14.22 H new ATOM 0 HA THR A 64 -11.986 -17.673 1.915 1.00 43.13 H new ATOM 0 HB THR A 64 -13.018 -16.761 3.850 1.00 30.43 H new ATOM 0 HG1 THR A 64 -13.115 -18.673 5.210 1.00 22.13 H new ATOM 0 HG21 THR A 64 -15.167 -17.571 4.756 1.00 33.01 H new ATOM 0 HG22 THR A 64 -15.358 -16.831 3.148 1.00 33.01 H new ATOM 0 HG23 THR A 64 -15.374 -18.603 3.320 1.00 33.01 H new ATOM 1009 N VAL A 65 -12.485 -20.205 1.840 1.00 45.45 N ATOM 1010 CA VAL A 65 -12.644 -21.597 1.434 1.00 10.12 C ATOM 1011 C VAL A 65 -13.927 -22.212 1.998 1.00 53.52 C ATOM 1012 O VAL A 65 -14.455 -23.175 1.439 1.00 33.42 O ATOM 1013 CB VAL A 65 -11.435 -22.454 1.866 1.00 64.24 C ATOM 1014 CG1 VAL A 65 -10.176 -21.994 1.148 1.00 70.42 C ATOM 1015 CG2 VAL A 65 -11.239 -22.405 3.375 1.00 5.55 C ATOM 0 H VAL A 65 -11.643 -20.025 2.387 1.00 45.45 H new ATOM 0 HA VAL A 65 -12.707 -21.594 0.346 1.00 10.12 H new ATOM 0 HB VAL A 65 -11.637 -23.488 1.588 1.00 64.24 H new ATOM 0 HG11 VAL A 65 -9.332 -22.608 1.463 1.00 70.42 H new ATOM 0 HG12 VAL A 65 -10.314 -22.093 0.071 1.00 70.42 H new ATOM 0 HG13 VAL A 65 -9.977 -20.951 1.394 1.00 70.42 H new ATOM 0 HG21 VAL A 65 -10.381 -23.018 3.650 1.00 5.55 H new ATOM 0 HG22 VAL A 65 -11.064 -21.375 3.686 1.00 5.55 H new ATOM 0 HG23 VAL A 65 -12.131 -22.787 3.870 1.00 5.55 H new ATOM 1025 N GLU A 66 -14.428 -21.646 3.093 1.00 24.30 N ATOM 1026 CA GLU A 66 -15.657 -22.131 3.711 1.00 74.23 C ATOM 1027 C GLU A 66 -16.838 -21.999 2.761 1.00 2.11 C ATOM 1028 O GLU A 66 -17.746 -22.831 2.759 1.00 42.00 O ATOM 1029 CB GLU A 66 -15.931 -21.370 5.005 1.00 33.53 C ATOM 1030 CG GLU A 66 -14.862 -21.590 6.059 1.00 54.13 C ATOM 1031 CD GLU A 66 -14.711 -23.051 6.421 1.00 1.44 C ATOM 1032 OE1 GLU A 66 -15.478 -23.543 7.273 1.00 40.50 O ATOM 1033 OE2 GLU A 66 -13.833 -23.721 5.846 1.00 21.03 O ATOM 0 H GLU A 66 -14.001 -20.852 3.570 1.00 24.30 H new ATOM 0 HA GLU A 66 -15.527 -23.188 3.942 1.00 74.23 H new ATOM 0 HB2 GLU A 66 -16.003 -20.305 4.785 1.00 33.53 H new ATOM 0 HB3 GLU A 66 -16.897 -21.679 5.405 1.00 33.53 H new ATOM 0 HG2 GLU A 66 -13.909 -21.207 5.693 1.00 54.13 H new ATOM 0 HG3 GLU A 66 -15.113 -21.020 6.953 1.00 54.13 H new ATOM 1040 N GLU A 67 -16.809 -20.962 1.942 1.00 31.24 N ATOM 1041 CA GLU A 67 -17.868 -20.723 0.981 1.00 2.21 C ATOM 1042 C GLU A 67 -17.725 -21.678 -0.196 1.00 25.23 C ATOM 1043 O GLU A 67 -18.714 -22.168 -0.744 1.00 62.24 O ATOM 1044 CB GLU A 67 -17.819 -19.281 0.501 1.00 70.20 C ATOM 1045 CG GLU A 67 -17.653 -18.277 1.624 1.00 11.23 C ATOM 1046 CD GLU A 67 -17.809 -16.848 1.151 1.00 21.42 C ATOM 1047 OE1 GLU A 67 -17.104 -16.453 0.202 1.00 53.43 O ATOM 1048 OE2 GLU A 67 -18.635 -16.114 1.728 1.00 42.43 O ATOM 0 H GLU A 67 -16.060 -20.270 1.925 1.00 31.24 H new ATOM 0 HA GLU A 67 -18.831 -20.899 1.460 1.00 2.21 H new ATOM 0 HB2 GLU A 67 -16.994 -19.168 -0.202 1.00 70.20 H new ATOM 0 HB3 GLU A 67 -18.736 -19.056 -0.044 1.00 70.20 H new ATOM 0 HG2 GLU A 67 -18.389 -18.481 2.402 1.00 11.23 H new ATOM 0 HG3 GLU A 67 -16.669 -18.401 2.076 1.00 11.23 H new ATOM 1055 N VAL A 68 -16.478 -21.944 -0.569 1.00 14.33 N ATOM 1056 CA VAL A 68 -16.173 -22.909 -1.617 1.00 32.33 C ATOM 1057 C VAL A 68 -16.767 -24.271 -1.280 1.00 3.24 C ATOM 1058 O VAL A 68 -17.429 -24.894 -2.111 1.00 1.15 O ATOM 1059 CB VAL A 68 -14.646 -23.049 -1.824 1.00 4.12 C ATOM 1060 CG1 VAL A 68 -14.309 -24.299 -2.623 1.00 1.13 C ATOM 1061 CG2 VAL A 68 -14.092 -21.821 -2.520 1.00 2.13 C ATOM 0 H VAL A 68 -15.657 -21.501 -0.157 1.00 14.33 H new ATOM 0 HA VAL A 68 -16.617 -22.540 -2.541 1.00 32.33 H new ATOM 0 HB VAL A 68 -14.184 -23.140 -0.841 1.00 4.12 H new ATOM 0 HG11 VAL A 68 -13.229 -24.369 -2.751 1.00 1.13 H new ATOM 0 HG12 VAL A 68 -14.669 -25.179 -2.090 1.00 1.13 H new ATOM 0 HG13 VAL A 68 -14.788 -24.246 -3.601 1.00 1.13 H new ATOM 0 HG21 VAL A 68 -13.017 -21.935 -2.658 1.00 2.13 H new ATOM 0 HG22 VAL A 68 -14.573 -21.706 -3.492 1.00 2.13 H new ATOM 0 HG23 VAL A 68 -14.288 -20.938 -1.911 1.00 2.13 H new ATOM 1071 N ASP A 69 -16.541 -24.716 -0.052 1.00 2.40 N ATOM 1072 CA ASP A 69 -17.045 -26.007 0.400 1.00 0.12 C ATOM 1073 C ASP A 69 -18.566 -26.058 0.316 1.00 30.43 C ATOM 1074 O ASP A 69 -19.134 -27.061 -0.112 1.00 23.42 O ATOM 1075 CB ASP A 69 -16.584 -26.294 1.829 1.00 41.22 C ATOM 1076 CG ASP A 69 -17.149 -27.594 2.371 1.00 34.53 C ATOM 1077 OD1 ASP A 69 -16.751 -28.671 1.882 1.00 53.24 O ATOM 1078 OD2 ASP A 69 -17.983 -27.540 3.302 1.00 54.41 O ATOM 0 H ASP A 69 -16.011 -24.201 0.651 1.00 2.40 H new ATOM 0 HA ASP A 69 -16.640 -26.775 -0.259 1.00 0.12 H new ATOM 0 HB2 ASP A 69 -15.495 -26.336 1.855 1.00 41.22 H new ATOM 0 HB3 ASP A 69 -16.887 -25.472 2.477 1.00 41.22 H new ATOM 1083 N ALA A 70 -19.223 -24.969 0.695 1.00 3.13 N ATOM 1084 CA ALA A 70 -20.680 -24.907 0.655 1.00 62.04 C ATOM 1085 C ALA A 70 -21.187 -25.036 -0.777 1.00 40.32 C ATOM 1086 O ALA A 70 -22.161 -25.743 -1.041 1.00 32.43 O ATOM 1087 CB ALA A 70 -21.177 -23.614 1.282 1.00 24.51 C ATOM 0 H ALA A 70 -18.772 -24.119 1.033 1.00 3.13 H new ATOM 0 HA ALA A 70 -21.073 -25.744 1.233 1.00 62.04 H new ATOM 0 HB1 ALA A 70 -22.266 -23.586 1.243 1.00 24.51 H new ATOM 0 HB2 ALA A 70 -20.850 -23.564 2.320 1.00 24.51 H new ATOM 0 HB3 ALA A 70 -20.772 -22.764 0.733 1.00 24.51 H new ATOM 1093 N ALA A 71 -20.509 -24.362 -1.698 1.00 1.21 N ATOM 1094 CA ALA A 71 -20.844 -24.449 -3.114 1.00 52.32 C ATOM 1095 C ALA A 71 -20.637 -25.867 -3.628 1.00 3.51 C ATOM 1096 O ALA A 71 -21.386 -26.349 -4.478 1.00 60.24 O ATOM 1097 CB ALA A 71 -20.003 -23.474 -3.914 1.00 32.11 C ATOM 0 H ALA A 71 -19.722 -23.748 -1.489 1.00 1.21 H new ATOM 0 HA ALA A 71 -21.895 -24.188 -3.235 1.00 52.32 H new ATOM 0 HB1 ALA A 71 -20.264 -23.550 -4.970 1.00 32.11 H new ATOM 0 HB2 ALA A 71 -20.192 -22.459 -3.565 1.00 32.11 H new ATOM 0 HB3 ALA A 71 -18.947 -23.711 -3.783 1.00 32.11 H new ATOM 1103 N MET A 72 -19.619 -26.534 -3.100 1.00 54.24 N ATOM 1104 CA MET A 72 -19.338 -27.910 -3.475 1.00 11.45 C ATOM 1105 C MET A 72 -20.445 -28.832 -2.987 1.00 2.04 C ATOM 1106 O MET A 72 -20.929 -29.671 -3.738 1.00 74.21 O ATOM 1107 CB MET A 72 -17.997 -28.378 -2.913 1.00 52.45 C ATOM 1108 CG MET A 72 -16.793 -27.639 -3.470 1.00 63.14 C ATOM 1109 SD MET A 72 -15.243 -28.433 -3.010 1.00 55.20 S ATOM 1110 CE MET A 72 -14.107 -27.580 -4.095 1.00 11.34 C ATOM 0 H MET A 72 -18.976 -26.143 -2.412 1.00 54.24 H new ATOM 0 HA MET A 72 -19.288 -27.949 -4.563 1.00 11.45 H new ATOM 0 HB2 MET A 72 -18.010 -28.262 -1.829 1.00 52.45 H new ATOM 0 HB3 MET A 72 -17.882 -29.442 -3.118 1.00 52.45 H new ATOM 0 HG2 MET A 72 -16.868 -27.591 -4.556 1.00 63.14 H new ATOM 0 HG3 MET A 72 -16.797 -26.612 -3.105 1.00 63.14 H new ATOM 0 HE1 MET A 72 -13.243 -28.215 -4.289 1.00 11.34 H new ATOM 0 HE2 MET A 72 -14.606 -27.349 -5.036 1.00 11.34 H new ATOM 0 HE3 MET A 72 -13.778 -26.654 -3.622 1.00 11.34 H new ATOM 1120 N ASN A 73 -20.857 -28.659 -1.733 1.00 22.41 N ATOM 1121 CA ASN A 73 -21.952 -29.453 -1.164 1.00 32.34 C ATOM 1122 C ASN A 73 -23.232 -29.255 -1.964 1.00 34.51 C ATOM 1123 O ASN A 73 -24.123 -30.106 -1.957 1.00 13.23 O ATOM 1124 CB ASN A 73 -22.221 -29.070 0.296 1.00 32.25 C ATOM 1125 CG ASN A 73 -21.209 -29.639 1.270 1.00 33.20 C ATOM 1126 OD1 ASN A 73 -21.363 -30.761 1.760 1.00 35.12 O ATOM 1127 ND2 ASN A 73 -20.182 -28.866 1.581 1.00 30.42 N ATOM 0 H ASN A 73 -20.452 -27.978 -1.090 1.00 22.41 H new ATOM 0 HA ASN A 73 -21.646 -30.498 -1.208 1.00 32.34 H new ATOM 0 HB2 ASN A 73 -22.225 -27.983 0.383 1.00 32.25 H new ATOM 0 HB3 ASN A 73 -23.216 -29.416 0.576 1.00 32.25 H new ATOM 0 HD21 ASN A 73 -19.482 -29.192 2.248 1.00 30.42 H new ATOM 0 HD22 ASN A 73 -20.090 -27.944 1.154 1.00 30.42 H new ATOM 1134 N ALA A 74 -23.309 -28.131 -2.658 1.00 42.11 N ATOM 1135 CA ALA A 74 -24.500 -27.764 -3.403 1.00 10.24 C ATOM 1136 C ALA A 74 -24.574 -28.477 -4.757 1.00 75.55 C ATOM 1137 O ALA A 74 -25.517 -28.264 -5.523 1.00 14.15 O ATOM 1138 CB ALA A 74 -24.546 -26.256 -3.585 1.00 52.40 C ATOM 0 H ALA A 74 -22.551 -27.451 -2.720 1.00 42.11 H new ATOM 0 HA ALA A 74 -25.369 -28.085 -2.828 1.00 10.24 H new ATOM 0 HB1 ALA A 74 -25.441 -25.984 -4.145 1.00 52.40 H new ATOM 0 HB2 ALA A 74 -24.568 -25.772 -2.609 1.00 52.40 H new ATOM 0 HB3 ALA A 74 -23.662 -25.928 -4.133 1.00 52.40 H new ATOM 1144 N ARG A 75 -23.586 -29.321 -5.055 1.00 53.35 N ATOM 1145 CA ARG A 75 -23.598 -30.091 -6.294 1.00 3.42 C ATOM 1146 C ARG A 75 -24.639 -31.207 -6.212 1.00 71.03 C ATOM 1147 O ARG A 75 -24.890 -31.749 -5.133 1.00 2.34 O ATOM 1148 CB ARG A 75 -22.213 -30.675 -6.611 1.00 63.03 C ATOM 1149 CG ARG A 75 -21.735 -31.731 -5.627 1.00 53.44 C ATOM 1150 CD ARG A 75 -20.347 -32.233 -5.986 1.00 55.24 C ATOM 1151 NE ARG A 75 -19.798 -33.111 -4.955 1.00 1.31 N ATOM 1152 CZ ARG A 75 -18.973 -34.130 -5.199 1.00 32.51 C ATOM 1153 NH1 ARG A 75 -18.609 -34.416 -6.444 1.00 32.42 N ATOM 1154 NH2 ARG A 75 -18.513 -34.866 -4.193 1.00 24.14 N ATOM 0 H ARG A 75 -22.775 -29.487 -4.460 1.00 53.35 H new ATOM 0 HA ARG A 75 -23.864 -29.413 -7.105 1.00 3.42 H new ATOM 0 HB2 ARG A 75 -22.236 -31.111 -7.610 1.00 63.03 H new ATOM 0 HB3 ARG A 75 -21.487 -29.863 -6.634 1.00 63.03 H new ATOM 0 HG2 ARG A 75 -21.724 -31.314 -4.620 1.00 53.44 H new ATOM 0 HG3 ARG A 75 -22.435 -32.566 -5.618 1.00 53.44 H new ATOM 0 HD2 ARG A 75 -20.390 -32.770 -6.934 1.00 55.24 H new ATOM 0 HD3 ARG A 75 -19.680 -31.383 -6.131 1.00 55.24 H new ATOM 0 HE ARG A 75 -20.063 -32.933 -3.986 1.00 1.31 H new ATOM 0 HH11 ARG A 75 -18.961 -33.855 -7.220 1.00 32.42 H new ATOM 0 HH12 ARG A 75 -17.978 -35.197 -6.624 1.00 32.42 H new ATOM 0 HH21 ARG A 75 -18.791 -34.651 -3.235 1.00 24.14 H new ATOM 0 HH22 ARG A 75 -17.882 -35.646 -4.378 1.00 24.14 H new ATOM 1168 N PRO A 76 -25.266 -31.563 -7.343 1.00 41.23 N ATOM 1169 CA PRO A 76 -24.980 -30.956 -8.651 1.00 64.50 C ATOM 1170 C PRO A 76 -25.385 -29.486 -8.717 1.00 32.54 C ATOM 1171 O PRO A 76 -26.521 -29.122 -8.405 1.00 53.33 O ATOM 1172 CB PRO A 76 -25.818 -31.791 -9.624 1.00 13.42 C ATOM 1173 CG PRO A 76 -26.912 -32.357 -8.791 1.00 42.42 C ATOM 1174 CD PRO A 76 -26.314 -32.594 -7.434 1.00 73.13 C ATOM 0 HA PRO A 76 -23.913 -30.961 -8.875 1.00 64.50 H new ATOM 0 HB2 PRO A 76 -26.214 -31.177 -10.433 1.00 13.42 H new ATOM 0 HB3 PRO A 76 -25.222 -32.579 -10.084 1.00 13.42 H new ATOM 0 HG2 PRO A 76 -27.755 -31.668 -8.732 1.00 42.42 H new ATOM 0 HG3 PRO A 76 -27.289 -33.286 -9.220 1.00 42.42 H new ATOM 0 HD2 PRO A 76 -27.056 -32.485 -6.643 1.00 73.13 H new ATOM 0 HD3 PRO A 76 -25.899 -33.598 -7.346 1.00 73.13 H new ATOM 1182 N HIS A 77 -24.443 -28.645 -9.117 1.00 54.05 N ATOM 1183 CA HIS A 77 -24.678 -27.214 -9.165 1.00 11.33 C ATOM 1184 C HIS A 77 -25.437 -26.858 -10.441 1.00 1.13 C ATOM 1185 O HIS A 77 -25.469 -27.644 -11.388 1.00 34.15 O ATOM 1186 CB HIS A 77 -23.350 -26.455 -9.101 1.00 1.41 C ATOM 1187 CG HIS A 77 -23.481 -25.067 -8.555 1.00 5.40 C ATOM 1188 ND1 HIS A 77 -24.096 -24.071 -9.270 1.00 63.05 N ATOM 1189 CD2 HIS A 77 -23.085 -24.574 -7.358 1.00 71.54 C ATOM 1190 CE1 HIS A 77 -24.067 -23.000 -8.504 1.00 34.12 C ATOM 1191 NE2 HIS A 77 -23.463 -23.254 -7.333 1.00 53.24 N ATOM 0 H HIS A 77 -23.510 -28.931 -9.413 1.00 54.05 H new ATOM 0 HA HIS A 77 -25.280 -26.923 -8.304 1.00 11.33 H new ATOM 0 HB2 HIS A 77 -22.650 -27.016 -8.482 1.00 1.41 H new ATOM 0 HB3 HIS A 77 -22.921 -26.404 -10.102 1.00 1.41 H new ATOM 0 HD2 HIS A 77 -22.572 -25.113 -6.576 1.00 71.54 H new ATOM 0 HE1 HIS A 77 -24.477 -22.040 -8.783 1.00 34.12 H new ATOM 0 HE2 HIS A 77 -23.313 -22.593 -6.570 1.00 53.24 H new ATOM 1199 N LYS A 78 -26.024 -25.677 -10.465 1.00 13.10 N ATOM 1200 CA LYS A 78 -26.857 -25.254 -11.573 1.00 5.32 C ATOM 1201 C LYS A 78 -26.636 -23.776 -11.862 1.00 3.43 C ATOM 1202 O LYS A 78 -26.982 -22.922 -11.049 1.00 72.44 O ATOM 1203 CB LYS A 78 -28.331 -25.501 -11.246 1.00 3.53 C ATOM 1204 CG LYS A 78 -29.288 -25.050 -12.340 1.00 15.13 C ATOM 1205 CD LYS A 78 -29.301 -26.009 -13.515 1.00 74.30 C ATOM 1206 CE LYS A 78 -29.879 -27.359 -13.123 1.00 53.44 C ATOM 1207 NZ LYS A 78 -31.260 -27.238 -12.579 1.00 41.24 N ATOM 0 H LYS A 78 -25.937 -24.986 -9.720 1.00 13.10 H new ATOM 0 HA LYS A 78 -26.585 -25.833 -12.455 1.00 5.32 H new ATOM 0 HB2 LYS A 78 -28.479 -26.565 -11.063 1.00 3.53 H new ATOM 0 HB3 LYS A 78 -28.580 -24.981 -10.321 1.00 3.53 H new ATOM 0 HG2 LYS A 78 -30.294 -24.966 -11.929 1.00 15.13 H new ATOM 0 HG3 LYS A 78 -29.001 -24.057 -12.686 1.00 15.13 H new ATOM 0 HD2 LYS A 78 -29.888 -25.582 -14.328 1.00 74.30 H new ATOM 0 HD3 LYS A 78 -28.286 -26.141 -13.890 1.00 74.30 H new ATOM 0 HE2 LYS A 78 -29.888 -28.016 -13.993 1.00 53.44 H new ATOM 0 HE3 LYS A 78 -29.235 -27.826 -12.378 1.00 53.44 H new ATOM 0 HZ1 LYS A 78 -31.716 -28.173 -12.578 1.00 41.24 H new ATOM 0 HZ2 LYS A 78 -31.219 -26.872 -11.606 1.00 41.24 H new ATOM 0 HZ3 LYS A 78 -31.811 -26.585 -13.172 1.00 41.24 H new ATOM 1221 N VAL A 79 -26.051 -23.484 -13.010 1.00 21.31 N ATOM 1222 CA VAL A 79 -25.846 -22.107 -13.430 1.00 4.24 C ATOM 1223 C VAL A 79 -26.188 -21.950 -14.910 1.00 64.54 C ATOM 1224 O VAL A 79 -25.751 -22.742 -15.746 1.00 73.34 O ATOM 1225 CB VAL A 79 -24.399 -21.625 -13.129 1.00 74.21 C ATOM 1226 CG1 VAL A 79 -23.381 -22.692 -13.477 1.00 5.02 C ATOM 1227 CG2 VAL A 79 -24.080 -20.324 -13.855 1.00 2.23 C ATOM 0 H VAL A 79 -25.709 -24.182 -13.670 1.00 21.31 H new ATOM 0 HA VAL A 79 -26.518 -21.473 -12.852 1.00 4.24 H new ATOM 0 HB VAL A 79 -24.340 -21.434 -12.057 1.00 74.21 H new ATOM 0 HG11 VAL A 79 -22.379 -22.325 -13.255 1.00 5.02 H new ATOM 0 HG12 VAL A 79 -23.578 -23.588 -12.889 1.00 5.02 H new ATOM 0 HG13 VAL A 79 -23.453 -22.932 -14.538 1.00 5.02 H new ATOM 0 HG21 VAL A 79 -23.061 -20.017 -13.621 1.00 2.23 H new ATOM 0 HG22 VAL A 79 -24.176 -20.474 -14.930 1.00 2.23 H new ATOM 0 HG23 VAL A 79 -24.775 -19.548 -13.534 1.00 2.23 H new ATOM 1237 N ASP A 80 -27.027 -20.953 -15.205 1.00 63.35 N ATOM 1238 CA ASP A 80 -27.523 -20.689 -16.566 1.00 35.33 C ATOM 1239 C ASP A 80 -28.389 -21.857 -17.055 1.00 40.43 C ATOM 1240 O ASP A 80 -28.642 -22.014 -18.248 1.00 61.20 O ATOM 1241 CB ASP A 80 -26.362 -20.425 -17.543 1.00 2.43 C ATOM 1242 CG ASP A 80 -26.814 -19.748 -18.827 1.00 4.02 C ATOM 1243 OD1 ASP A 80 -27.229 -18.570 -18.767 1.00 15.11 O ATOM 1244 OD2 ASP A 80 -26.744 -20.381 -19.901 1.00 52.13 O ATOM 0 H ASP A 80 -27.385 -20.302 -14.506 1.00 63.35 H new ATOM 0 HA ASP A 80 -28.138 -19.790 -16.532 1.00 35.33 H new ATOM 0 HB2 ASP A 80 -25.615 -19.801 -17.052 1.00 2.43 H new ATOM 0 HB3 ASP A 80 -25.877 -21.370 -17.787 1.00 2.43 H new ATOM 1249 N GLY A 81 -28.875 -22.656 -16.110 1.00 45.25 N ATOM 1250 CA GLY A 81 -29.687 -23.813 -16.447 1.00 1.11 C ATOM 1251 C GLY A 81 -28.855 -24.997 -16.891 1.00 12.14 C ATOM 1252 O GLY A 81 -29.367 -25.929 -17.514 1.00 52.21 O ATOM 0 H GLY A 81 -28.720 -22.522 -15.111 1.00 45.25 H new ATOM 0 HA2 GLY A 81 -30.285 -24.098 -15.581 1.00 1.11 H new ATOM 0 HA3 GLY A 81 -30.384 -23.545 -17.241 1.00 1.11 H new ATOM 1256 N ARG A 82 -27.568 -24.959 -16.577 1.00 34.24 N ATOM 1257 CA ARG A 82 -26.672 -26.053 -16.898 1.00 51.23 C ATOM 1258 C ARG A 82 -26.044 -26.602 -15.622 1.00 13.35 C ATOM 1259 O ARG A 82 -25.427 -25.860 -14.855 1.00 44.20 O ATOM 1260 CB ARG A 82 -25.590 -25.577 -17.878 1.00 2.33 C ATOM 1261 CG ARG A 82 -24.601 -26.657 -18.299 1.00 20.45 C ATOM 1262 CD ARG A 82 -25.311 -27.914 -18.779 1.00 54.10 C ATOM 1263 NE ARG A 82 -24.478 -28.734 -19.663 1.00 31.23 N ATOM 1264 CZ ARG A 82 -23.718 -29.755 -19.258 1.00 20.54 C ATOM 1265 NH1 ARG A 82 -23.568 -30.016 -17.967 1.00 64.12 N ATOM 1266 NH2 ARG A 82 -23.086 -30.507 -20.149 1.00 71.31 N ATOM 0 H ARG A 82 -27.122 -24.177 -16.098 1.00 34.24 H new ATOM 0 HA ARG A 82 -27.238 -26.853 -17.375 1.00 51.23 H new ATOM 0 HB2 ARG A 82 -26.075 -25.178 -18.769 1.00 2.33 H new ATOM 0 HB3 ARG A 82 -25.039 -24.756 -17.420 1.00 2.33 H new ATOM 0 HG2 ARG A 82 -23.961 -26.274 -19.094 1.00 20.45 H new ATOM 0 HG3 ARG A 82 -23.952 -26.904 -17.459 1.00 20.45 H new ATOM 0 HD2 ARG A 82 -25.611 -28.508 -17.916 1.00 54.10 H new ATOM 0 HD3 ARG A 82 -26.223 -27.632 -19.305 1.00 54.10 H new ATOM 0 HE ARG A 82 -24.479 -28.509 -20.658 1.00 31.23 H new ATOM 0 HH11 ARG A 82 -24.035 -29.435 -17.271 1.00 64.12 H new ATOM 0 HH12 ARG A 82 -22.985 -30.798 -17.669 1.00 64.12 H new ATOM 0 HH21 ARG A 82 -23.180 -30.306 -21.145 1.00 71.31 H new ATOM 0 HH22 ARG A 82 -22.506 -31.286 -19.839 1.00 71.31 H new ATOM 1280 N VAL A 83 -26.252 -27.890 -15.382 1.00 31.02 N ATOM 1281 CA VAL A 83 -25.616 -28.575 -14.265 1.00 12.54 C ATOM 1282 C VAL A 83 -24.108 -28.596 -14.460 1.00 0.41 C ATOM 1283 O VAL A 83 -23.618 -29.116 -15.457 1.00 15.54 O ATOM 1284 CB VAL A 83 -26.130 -30.025 -14.118 1.00 43.33 C ATOM 1285 CG1 VAL A 83 -25.407 -30.746 -12.992 1.00 5.14 C ATOM 1286 CG2 VAL A 83 -27.632 -30.040 -13.882 1.00 72.42 C ATOM 0 H VAL A 83 -26.859 -28.483 -15.948 1.00 31.02 H new ATOM 0 HA VAL A 83 -25.869 -28.028 -13.357 1.00 12.54 H new ATOM 0 HB VAL A 83 -25.921 -30.553 -15.049 1.00 43.33 H new ATOM 0 HG11 VAL A 83 -25.787 -31.764 -12.909 1.00 5.14 H new ATOM 0 HG12 VAL A 83 -24.338 -30.774 -13.205 1.00 5.14 H new ATOM 0 HG13 VAL A 83 -25.577 -30.218 -12.054 1.00 5.14 H new ATOM 0 HG21 VAL A 83 -27.974 -31.070 -13.781 1.00 72.42 H new ATOM 0 HG22 VAL A 83 -27.862 -29.490 -12.970 1.00 72.42 H new ATOM 0 HG23 VAL A 83 -28.138 -29.571 -14.726 1.00 72.42 H new ATOM 1296 N VAL A 84 -23.379 -28.025 -13.518 1.00 44.15 N ATOM 1297 CA VAL A 84 -21.933 -27.934 -13.634 1.00 4.44 C ATOM 1298 C VAL A 84 -21.238 -28.737 -12.548 1.00 64.34 C ATOM 1299 O VAL A 84 -21.884 -29.294 -11.656 1.00 61.03 O ATOM 1300 CB VAL A 84 -21.449 -26.472 -13.562 1.00 43.11 C ATOM 1301 CG1 VAL A 84 -22.017 -25.670 -14.719 1.00 71.22 C ATOM 1302 CG2 VAL A 84 -21.825 -25.838 -12.230 1.00 64.02 C ATOM 0 H VAL A 84 -23.763 -27.618 -12.665 1.00 44.15 H new ATOM 0 HA VAL A 84 -21.674 -28.348 -14.609 1.00 4.44 H new ATOM 0 HB VAL A 84 -20.362 -26.468 -13.639 1.00 43.11 H new ATOM 0 HG11 VAL A 84 -21.666 -24.640 -14.654 1.00 71.22 H new ATOM 0 HG12 VAL A 84 -21.687 -26.107 -15.661 1.00 71.22 H new ATOM 0 HG13 VAL A 84 -23.106 -25.686 -14.673 1.00 71.22 H new ATOM 0 HG21 VAL A 84 -21.472 -24.807 -12.205 1.00 64.02 H new ATOM 0 HG22 VAL A 84 -22.909 -25.853 -12.113 1.00 64.02 H new ATOM 0 HG23 VAL A 84 -21.364 -26.399 -11.417 1.00 64.02 H new ATOM 1312 N GLU A 85 -19.921 -28.798 -12.636 1.00 11.05 N ATOM 1313 CA GLU A 85 -19.114 -29.455 -11.626 1.00 43.23 C ATOM 1314 C GLU A 85 -18.069 -28.485 -11.102 1.00 5.31 C ATOM 1315 O GLU A 85 -17.101 -28.165 -11.791 1.00 45.34 O ATOM 1316 CB GLU A 85 -18.447 -30.711 -12.192 1.00 64.31 C ATOM 1317 CG GLU A 85 -17.543 -31.416 -11.195 1.00 10.54 C ATOM 1318 CD GLU A 85 -17.128 -32.796 -11.655 1.00 73.10 C ATOM 1319 OE1 GLU A 85 -16.087 -32.923 -12.332 1.00 22.12 O ATOM 1320 OE2 GLU A 85 -17.842 -33.763 -11.330 1.00 1.51 O ATOM 0 H GLU A 85 -19.385 -28.396 -13.405 1.00 11.05 H new ATOM 0 HA GLU A 85 -19.760 -29.764 -10.804 1.00 43.23 H new ATOM 0 HB2 GLU A 85 -19.219 -31.405 -12.525 1.00 64.31 H new ATOM 0 HB3 GLU A 85 -17.863 -30.438 -13.071 1.00 64.31 H new ATOM 0 HG2 GLU A 85 -16.652 -30.811 -11.028 1.00 10.54 H new ATOM 0 HG3 GLU A 85 -18.058 -31.497 -10.238 1.00 10.54 H new ATOM 1327 N PRO A 86 -18.275 -27.978 -9.881 1.00 32.50 N ATOM 1328 CA PRO A 86 -17.383 -27.021 -9.263 1.00 62.42 C ATOM 1329 C PRO A 86 -16.282 -27.697 -8.452 1.00 64.33 C ATOM 1330 O PRO A 86 -16.532 -28.260 -7.382 1.00 3.10 O ATOM 1331 CB PRO A 86 -18.321 -26.213 -8.362 1.00 13.54 C ATOM 1332 CG PRO A 86 -19.531 -27.072 -8.130 1.00 2.21 C ATOM 1333 CD PRO A 86 -19.403 -28.297 -9.002 1.00 3.02 C ATOM 0 HA PRO A 86 -16.848 -26.413 -9.993 1.00 62.42 H new ATOM 0 HB2 PRO A 86 -17.835 -25.964 -7.419 1.00 13.54 H new ATOM 0 HB3 PRO A 86 -18.598 -25.271 -8.835 1.00 13.54 H new ATOM 0 HG2 PRO A 86 -19.602 -27.356 -7.080 1.00 2.21 H new ATOM 0 HG3 PRO A 86 -20.441 -26.523 -8.373 1.00 2.21 H new ATOM 0 HD2 PRO A 86 -19.210 -29.192 -8.410 1.00 3.02 H new ATOM 0 HD3 PRO A 86 -20.315 -28.482 -9.570 1.00 3.02 H new ATOM 1341 N LYS A 87 -15.067 -27.654 -8.975 1.00 13.20 N ATOM 1342 CA LYS A 87 -13.930 -28.290 -8.323 1.00 62.34 C ATOM 1343 C LYS A 87 -12.902 -27.251 -7.895 1.00 30.42 C ATOM 1344 O LYS A 87 -12.922 -26.121 -8.368 1.00 63.21 O ATOM 1345 CB LYS A 87 -13.275 -29.307 -9.261 1.00 32.41 C ATOM 1346 CG LYS A 87 -14.220 -30.401 -9.735 1.00 55.32 C ATOM 1347 CD LYS A 87 -13.502 -31.421 -10.605 1.00 31.33 C ATOM 1348 CE LYS A 87 -12.858 -30.769 -11.819 1.00 62.44 C ATOM 1349 NZ LYS A 87 -12.139 -31.757 -12.662 1.00 21.54 N ATOM 0 H LYS A 87 -14.841 -27.184 -9.852 1.00 13.20 H new ATOM 0 HA LYS A 87 -14.297 -28.807 -7.436 1.00 62.34 H new ATOM 0 HB2 LYS A 87 -12.876 -28.783 -10.129 1.00 32.41 H new ATOM 0 HB3 LYS A 87 -12.429 -29.767 -8.750 1.00 32.41 H new ATOM 0 HG2 LYS A 87 -14.659 -30.902 -8.873 1.00 55.32 H new ATOM 0 HG3 LYS A 87 -15.041 -29.956 -10.297 1.00 55.32 H new ATOM 0 HD2 LYS A 87 -12.738 -31.929 -10.016 1.00 31.33 H new ATOM 0 HD3 LYS A 87 -14.210 -32.182 -10.933 1.00 31.33 H new ATOM 0 HE2 LYS A 87 -13.625 -30.274 -12.414 1.00 62.44 H new ATOM 0 HE3 LYS A 87 -12.162 -29.997 -11.490 1.00 62.44 H new ATOM 0 HZ1 LYS A 87 -11.714 -31.273 -13.479 1.00 21.54 H new ATOM 0 HZ2 LYS A 87 -11.390 -32.212 -12.102 1.00 21.54 H new ATOM 0 HZ3 LYS A 87 -12.808 -32.479 -12.997 1.00 21.54 H new ATOM 1363 N ARG A 88 -12.021 -27.638 -6.987 1.00 64.34 N ATOM 1364 CA ARG A 88 -10.939 -26.770 -6.537 1.00 72.30 C ATOM 1365 C ARG A 88 -10.015 -26.437 -7.702 1.00 31.24 C ATOM 1366 O ARG A 88 -9.585 -27.330 -8.435 1.00 45.24 O ATOM 1367 CB ARG A 88 -10.138 -27.460 -5.432 1.00 22.11 C ATOM 1368 CG ARG A 88 -9.772 -26.548 -4.278 1.00 4.14 C ATOM 1369 CD ARG A 88 -11.010 -26.136 -3.501 1.00 24.22 C ATOM 1370 NE ARG A 88 -10.687 -25.403 -2.283 1.00 12.22 N ATOM 1371 CZ ARG A 88 -10.900 -25.870 -1.055 1.00 52.05 C ATOM 1372 NH1 ARG A 88 -11.363 -27.101 -0.876 1.00 74.22 N ATOM 1373 NH2 ARG A 88 -10.631 -25.110 -0.005 1.00 75.35 N ATOM 0 H ARG A 88 -12.033 -28.556 -6.542 1.00 64.34 H new ATOM 0 HA ARG A 88 -11.371 -25.849 -6.147 1.00 72.30 H new ATOM 0 HB2 ARG A 88 -10.716 -28.301 -5.049 1.00 22.11 H new ATOM 0 HB3 ARG A 88 -9.224 -27.871 -5.862 1.00 22.11 H new ATOM 0 HG2 ARG A 88 -9.073 -27.057 -3.614 1.00 4.14 H new ATOM 0 HG3 ARG A 88 -9.263 -25.661 -4.657 1.00 4.14 H new ATOM 0 HD2 ARG A 88 -11.644 -25.517 -4.136 1.00 24.22 H new ATOM 0 HD3 ARG A 88 -11.586 -27.025 -3.244 1.00 24.22 H new ATOM 0 HE ARG A 88 -10.273 -24.476 -2.378 1.00 12.22 H new ATOM 0 HH11 ARG A 88 -11.558 -27.695 -1.682 1.00 74.22 H new ATOM 0 HH12 ARG A 88 -11.524 -27.453 0.068 1.00 74.22 H new ATOM 0 HH21 ARG A 88 -10.261 -24.169 -0.138 1.00 75.35 H new ATOM 0 HH22 ARG A 88 -10.793 -25.466 0.937 1.00 75.35 H new ATOM 1387 N ALA A 89 -9.717 -25.159 -7.873 1.00 65.12 N ATOM 1388 CA ALA A 89 -8.872 -24.720 -8.968 1.00 44.11 C ATOM 1389 C ALA A 89 -7.414 -25.091 -8.726 1.00 71.11 C ATOM 1390 O ALA A 89 -6.914 -25.008 -7.605 1.00 53.02 O ATOM 1391 CB ALA A 89 -9.009 -23.223 -9.178 1.00 24.24 C ATOM 0 H ALA A 89 -10.048 -24.409 -7.267 1.00 65.12 H new ATOM 0 HA ALA A 89 -9.203 -25.233 -9.871 1.00 44.11 H new ATOM 0 HB1 ALA A 89 -8.368 -22.911 -10.003 1.00 24.24 H new ATOM 0 HB2 ALA A 89 -10.046 -22.982 -9.413 1.00 24.24 H new ATOM 0 HB3 ALA A 89 -8.711 -22.699 -8.270 1.00 24.24 H new ATOM 1397 N VAL A 90 -6.751 -25.522 -9.785 1.00 52.54 N ATOM 1398 CA VAL A 90 -5.331 -25.830 -9.743 1.00 73.21 C ATOM 1399 C VAL A 90 -4.543 -24.622 -10.255 1.00 70.10 C ATOM 1400 O VAL A 90 -5.134 -23.692 -10.790 1.00 22.24 O ATOM 1401 CB VAL A 90 -5.025 -27.087 -10.601 1.00 55.13 C ATOM 1402 CG1 VAL A 90 -5.284 -26.817 -12.076 1.00 23.22 C ATOM 1403 CG2 VAL A 90 -3.604 -27.588 -10.384 1.00 41.13 C ATOM 0 H VAL A 90 -7.181 -25.668 -10.698 1.00 52.54 H new ATOM 0 HA VAL A 90 -5.034 -26.045 -8.716 1.00 73.21 H new ATOM 0 HB VAL A 90 -5.703 -27.875 -10.273 1.00 55.13 H new ATOM 0 HG11 VAL A 90 -5.062 -27.714 -12.655 1.00 23.22 H new ATOM 0 HG12 VAL A 90 -6.330 -26.544 -12.218 1.00 23.22 H new ATOM 0 HG13 VAL A 90 -4.646 -26.000 -12.414 1.00 23.22 H new ATOM 0 HG21 VAL A 90 -3.430 -28.469 -11.002 1.00 41.13 H new ATOM 0 HG22 VAL A 90 -2.896 -26.806 -10.659 1.00 41.13 H new ATOM 0 HG23 VAL A 90 -3.466 -27.849 -9.335 1.00 41.13 H new