USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 LYS NZ :NH3+ -165:sc= 2.1 (180deg=0.279) USER MOD Set 1.2: A 61 THR OG1 : rot 73:sc= 0.634 USER MOD Single : A 12 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.57) USER MOD Single : A 22 SER OG : rot 150:sc= -1.04 USER MOD Single : A 25 THR OG1 : rot -150:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0882 USER MOD Single : A 32 SER OG : rot 89:sc= 1.24 USER MOD Single : A 33 HIS : no HE2:sc= -0.447 X(o=-0.45,f=-0.83) USER MOD Single : A 36 GLN : amide:sc= -0.86! K(o=-0.86!,f=-0.097) 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 70:sc= 0.835 USER MOD Single : A 46 MET CE :methyl 175:sc= -0.218 (180deg=-0.287) USER MOD Single : A 62 TYR OH : rot 33:sc= 1.09 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.078 USER MOD Single : A 72 MET CE :methyl -156:sc= -1.96 (180deg=-3.37!) USER MOD Single : A 73 ASN : amide:sc= 0.971 K(o=0.97,f=-0.15) USER MOD Single : A 77 HIS : no HD1:sc= -0.156 K(o=-0.16,f=-3.7!) USER MOD Single : A 78 LYS NZ :NH3+ 166:sc=-0.00694 (180deg=-0.19) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.721 -17.679 -3.523 1.00 34.44 N ATOM 149 CA GLU A 11 -6.691 -17.632 -4.606 1.00 12.12 C ATOM 150 C GLU A 11 -6.944 -19.030 -5.147 1.00 61.13 C ATOM 151 O GLU A 11 -8.071 -19.374 -5.464 1.00 50.34 O ATOM 152 CB GLU A 11 -6.223 -16.706 -5.730 1.00 53.13 C ATOM 153 CG GLU A 11 -7.297 -16.447 -6.776 1.00 45.21 C ATOM 154 CD GLU A 11 -6.830 -15.554 -7.901 1.00 64.03 C ATOM 155 OE1 GLU A 11 -6.601 -14.353 -7.663 1.00 54.45 O ATOM 156 OE2 GLU A 11 -6.705 -16.051 -9.037 1.00 42.43 O ATOM 0 HA GLU A 11 -7.623 -17.232 -4.206 1.00 12.12 H new ATOM 0 HB2 GLU A 11 -5.905 -15.756 -5.301 1.00 53.13 H new ATOM 0 HB3 GLU A 11 -5.351 -17.145 -6.214 1.00 53.13 H new ATOM 0 HG2 GLU A 11 -7.628 -17.399 -7.190 1.00 45.21 H new ATOM 0 HG3 GLU A 11 -8.162 -15.991 -6.294 1.00 45.21 H new ATOM 163 N GLN A 12 -5.889 -19.832 -5.229 1.00 75.55 N ATOM 164 CA GLN A 12 -6.004 -21.222 -5.664 1.00 42.44 C ATOM 165 C GLN A 12 -7.029 -21.982 -4.824 1.00 23.31 C ATOM 166 O GLN A 12 -7.978 -22.565 -5.345 1.00 12.03 O ATOM 167 CB GLN A 12 -4.645 -21.919 -5.554 1.00 33.54 C ATOM 168 CG GLN A 12 -4.747 -23.434 -5.493 1.00 54.10 C ATOM 169 CD GLN A 12 -3.405 -24.117 -5.373 1.00 33.50 C ATOM 170 OE1 GLN A 12 -2.466 -23.572 -4.790 1.00 64.21 O ATOM 171 NE2 GLN A 12 -3.315 -25.325 -5.904 1.00 3.30 N ATOM 0 H GLN A 12 -4.938 -19.543 -4.999 1.00 75.55 H new ATOM 0 HA GLN A 12 -6.337 -21.221 -6.702 1.00 42.44 H new ATOM 0 HB2 GLN A 12 -4.030 -21.638 -6.409 1.00 33.54 H new ATOM 0 HB3 GLN A 12 -4.132 -21.561 -4.661 1.00 33.54 H new ATOM 0 HG2 GLN A 12 -5.368 -23.716 -4.643 1.00 54.10 H new ATOM 0 HG3 GLN A 12 -5.252 -23.794 -6.390 1.00 54.10 H new ATOM 0 HE21 GLN A 12 -4.120 -25.735 -6.377 1.00 3.30 H new ATOM 0 HE22 GLN A 12 -2.441 -25.846 -5.840 1.00 3.30 H new ATOM 180 N LEU A 13 -6.831 -21.946 -3.519 1.00 34.40 N ATOM 181 CA LEU A 13 -7.625 -22.728 -2.589 1.00 21.01 C ATOM 182 C LEU A 13 -9.056 -22.196 -2.477 1.00 62.11 C ATOM 183 O LEU A 13 -9.976 -22.936 -2.117 1.00 72.33 O ATOM 184 CB LEU A 13 -6.905 -22.732 -1.237 1.00 63.44 C ATOM 185 CG LEU A 13 -7.651 -23.362 -0.057 1.00 0.44 C ATOM 186 CD1 LEU A 13 -6.660 -24.010 0.896 1.00 44.14 C ATOM 187 CD2 LEU A 13 -8.466 -22.310 0.683 1.00 63.44 C ATOM 0 H LEU A 13 -6.114 -21.373 -3.073 1.00 34.40 H new ATOM 0 HA LEU A 13 -7.720 -23.751 -2.954 1.00 21.01 H new ATOM 0 HB2 LEU A 13 -5.958 -23.257 -1.359 1.00 63.44 H new ATOM 0 HB3 LEU A 13 -6.667 -21.701 -0.976 1.00 63.44 H new ATOM 0 HG LEU A 13 -8.330 -24.122 -0.442 1.00 0.44 H new ATOM 0 HD11 LEU A 13 -7.198 -24.456 1.733 1.00 44.14 H new ATOM 0 HD12 LEU A 13 -6.102 -24.784 0.370 1.00 44.14 H new ATOM 0 HD13 LEU A 13 -5.968 -23.255 1.270 1.00 44.14 H new ATOM 0 HD21 LEU A 13 -8.989 -22.776 1.518 1.00 63.44 H new ATOM 0 HD22 LEU A 13 -7.801 -21.533 1.060 1.00 63.44 H new ATOM 0 HD23 LEU A 13 -9.192 -21.867 0.002 1.00 63.44 H new ATOM 199 N ARG A 14 -9.238 -20.924 -2.798 1.00 72.42 N ATOM 200 CA ARG A 14 -10.550 -20.293 -2.700 1.00 30.31 C ATOM 201 C ARG A 14 -11.238 -20.232 -4.058 1.00 74.33 C ATOM 202 O ARG A 14 -12.400 -19.838 -4.157 1.00 32.02 O ATOM 203 CB ARG A 14 -10.418 -18.881 -2.142 1.00 10.22 C ATOM 204 CG ARG A 14 -9.809 -18.821 -0.756 1.00 44.12 C ATOM 205 CD ARG A 14 -9.629 -17.385 -0.313 1.00 22.12 C ATOM 206 NE ARG A 14 -8.883 -16.605 -1.298 1.00 11.42 N ATOM 207 CZ ARG A 14 -9.190 -15.355 -1.647 1.00 74.33 C ATOM 208 NH1 ARG A 14 -10.197 -14.723 -1.058 1.00 74.21 N ATOM 209 NH2 ARG A 14 -8.473 -14.732 -2.573 1.00 22.45 N ATOM 0 H ARG A 14 -8.496 -20.307 -3.129 1.00 72.42 H new ATOM 0 HA ARG A 14 -11.157 -20.899 -2.027 1.00 30.31 H new ATOM 0 HB2 ARG A 14 -9.807 -18.288 -2.822 1.00 10.22 H new ATOM 0 HB3 ARG A 14 -11.405 -18.418 -2.115 1.00 10.22 H new ATOM 0 HG2 ARG A 14 -10.450 -19.348 -0.049 1.00 44.12 H new ATOM 0 HG3 ARG A 14 -8.846 -19.331 -0.754 1.00 44.12 H new ATOM 0 HD2 ARG A 14 -10.606 -16.929 -0.152 1.00 22.12 H new ATOM 0 HD3 ARG A 14 -9.105 -17.362 0.642 1.00 22.12 H new ATOM 0 HE ARG A 14 -8.078 -17.043 -1.746 1.00 11.42 H new ATOM 0 HH11 ARG A 14 -10.741 -15.193 -0.334 1.00 74.21 H new ATOM 0 HH12 ARG A 14 -10.427 -13.767 -1.329 1.00 74.21 H new ATOM 0 HH21 ARG A 14 -7.688 -15.209 -3.017 1.00 22.45 H new ATOM 0 HH22 ARG A 14 -8.706 -13.776 -2.841 1.00 22.45 H new ATOM 223 N LYS A 15 -10.515 -20.598 -5.103 1.00 11.32 N ATOM 224 CA LYS A 15 -11.067 -20.562 -6.448 1.00 22.30 C ATOM 225 C LYS A 15 -11.744 -21.879 -6.780 1.00 11.34 C ATOM 226 O LYS A 15 -11.232 -22.957 -6.471 1.00 32.31 O ATOM 227 CB LYS A 15 -9.988 -20.255 -7.489 1.00 12.22 C ATOM 228 CG LYS A 15 -10.546 -19.935 -8.868 1.00 33.35 C ATOM 229 CD LYS A 15 -9.444 -19.835 -9.913 1.00 52.51 C ATOM 230 CE LYS A 15 -8.432 -18.748 -9.582 1.00 61.35 C ATOM 231 NZ LYS A 15 -9.036 -17.387 -9.573 1.00 1.21 N ATOM 0 H LYS A 15 -9.549 -20.922 -5.048 1.00 11.32 H new ATOM 0 HA LYS A 15 -11.806 -19.761 -6.478 1.00 22.30 H new ATOM 0 HB2 LYS A 15 -9.391 -19.411 -7.143 1.00 12.22 H new ATOM 0 HB3 LYS A 15 -9.317 -21.110 -7.567 1.00 12.22 H new ATOM 0 HG2 LYS A 15 -11.256 -20.708 -9.161 1.00 33.35 H new ATOM 0 HG3 LYS A 15 -11.096 -18.995 -8.829 1.00 33.35 H new ATOM 0 HD2 LYS A 15 -8.932 -20.794 -9.991 1.00 52.51 H new ATOM 0 HD3 LYS A 15 -9.888 -19.631 -10.887 1.00 52.51 H new ATOM 0 HE2 LYS A 15 -7.991 -18.952 -8.606 1.00 61.35 H new ATOM 0 HE3 LYS A 15 -7.622 -18.777 -10.310 1.00 61.35 H new ATOM 0 HZ1 LYS A 15 -8.281 -16.672 -9.597 1.00 1.21 H new ATOM 0 HZ2 LYS A 15 -9.647 -17.273 -10.407 1.00 1.21 H new ATOM 0 HZ3 LYS A 15 -9.602 -17.264 -8.709 1.00 1.21 H new ATOM 245 N LEU A 16 -12.903 -21.777 -7.390 1.00 21.33 N ATOM 246 CA LEU A 16 -13.657 -22.932 -7.809 1.00 61.34 C ATOM 247 C LEU A 16 -13.553 -23.093 -9.320 1.00 61.01 C ATOM 248 O LEU A 16 -13.789 -22.144 -10.073 1.00 30.15 O ATOM 249 CB LEU A 16 -15.116 -22.756 -7.394 1.00 1.20 C ATOM 250 CG LEU A 16 -15.867 -24.043 -7.062 1.00 63.33 C ATOM 251 CD1 LEU A 16 -15.065 -24.893 -6.095 1.00 2.03 C ATOM 252 CD2 LEU A 16 -17.224 -23.714 -6.468 1.00 2.11 C ATOM 0 H LEU A 16 -13.349 -20.886 -7.609 1.00 21.33 H new ATOM 0 HA LEU A 16 -13.255 -23.827 -7.335 1.00 61.34 H new ATOM 0 HB2 LEU A 16 -15.151 -22.101 -6.523 1.00 1.20 H new ATOM 0 HB3 LEU A 16 -15.645 -22.245 -8.199 1.00 1.20 H new ATOM 0 HG LEU A 16 -16.010 -24.609 -7.982 1.00 63.33 H new ATOM 0 HD11 LEU A 16 -15.616 -25.806 -5.870 1.00 2.03 H new ATOM 0 HD12 LEU A 16 -14.106 -25.150 -6.545 1.00 2.03 H new ATOM 0 HD13 LEU A 16 -14.896 -24.335 -5.174 1.00 2.03 H new ATOM 0 HD21 LEU A 16 -17.753 -24.638 -6.234 1.00 2.11 H new ATOM 0 HD22 LEU A 16 -17.091 -23.132 -5.556 1.00 2.11 H new ATOM 0 HD23 LEU A 16 -17.805 -23.135 -7.186 1.00 2.11 H new ATOM 264 N PHE A 17 -13.171 -24.280 -9.748 1.00 12.41 N ATOM 265 CA PHE A 17 -13.093 -24.608 -11.158 1.00 11.11 C ATOM 266 C PHE A 17 -14.454 -25.076 -11.638 1.00 61.23 C ATOM 267 O PHE A 17 -14.946 -26.115 -11.199 1.00 64.44 O ATOM 268 CB PHE A 17 -12.044 -25.699 -11.388 1.00 11.22 C ATOM 269 CG PHE A 17 -11.894 -26.120 -12.825 1.00 2.43 C ATOM 270 CD1 PHE A 17 -11.910 -27.461 -13.174 1.00 73.35 C ATOM 271 CD2 PHE A 17 -11.725 -25.177 -13.821 1.00 2.44 C ATOM 272 CE1 PHE A 17 -11.756 -27.848 -14.493 1.00 13.33 C ATOM 273 CE2 PHE A 17 -11.574 -25.555 -15.138 1.00 52.00 C ATOM 274 CZ PHE A 17 -11.586 -26.891 -15.475 1.00 34.23 C ATOM 0 H PHE A 17 -12.906 -25.045 -9.128 1.00 12.41 H new ATOM 0 HA PHE A 17 -12.797 -23.723 -11.721 1.00 11.11 H new ATOM 0 HB2 PHE A 17 -11.080 -25.343 -11.023 1.00 11.22 H new ATOM 0 HB3 PHE A 17 -12.308 -26.572 -10.791 1.00 11.22 H new ATOM 0 HD1 PHE A 17 -12.044 -28.211 -12.409 1.00 73.35 H new ATOM 0 HD2 PHE A 17 -11.711 -24.128 -13.564 1.00 2.44 H new ATOM 0 HE1 PHE A 17 -11.769 -28.896 -14.755 1.00 13.33 H new ATOM 0 HE2 PHE A 17 -11.446 -24.805 -15.905 1.00 52.00 H new ATOM 0 HZ PHE A 17 -11.463 -27.190 -16.505 1.00 34.23 H new ATOM 284 N ILE A 18 -15.068 -24.297 -12.512 1.00 25.43 N ATOM 285 CA ILE A 18 -16.407 -24.600 -12.981 1.00 52.23 C ATOM 286 C ILE A 18 -16.362 -25.062 -14.422 1.00 74.03 C ATOM 287 O ILE A 18 -16.230 -24.248 -15.331 1.00 22.35 O ATOM 288 CB ILE A 18 -17.339 -23.376 -12.900 1.00 24.32 C ATOM 289 CG1 ILE A 18 -17.129 -22.610 -11.591 1.00 41.00 C ATOM 290 CG2 ILE A 18 -18.789 -23.812 -13.036 1.00 10.32 C ATOM 291 CD1 ILE A 18 -17.277 -23.458 -10.348 1.00 5.44 C ATOM 0 H ILE A 18 -14.660 -23.451 -12.910 1.00 25.43 H new ATOM 0 HA ILE A 18 -16.798 -25.385 -12.334 1.00 52.23 H new ATOM 0 HB ILE A 18 -17.095 -22.705 -13.723 1.00 24.32 H new ATOM 0 HG12 ILE A 18 -16.134 -22.166 -11.598 1.00 41.00 H new ATOM 0 HG13 ILE A 18 -17.844 -21.789 -11.545 1.00 41.00 H new ATOM 0 HG21 ILE A 18 -19.439 -22.939 -12.977 1.00 10.32 H new ATOM 0 HG22 ILE A 18 -18.932 -24.306 -13.997 1.00 10.32 H new ATOM 0 HG23 ILE A 18 -19.038 -24.504 -12.231 1.00 10.32 H new ATOM 0 HD11 ILE A 18 -17.113 -22.841 -9.465 1.00 5.44 H new ATOM 0 HD12 ILE A 18 -18.281 -23.881 -10.314 1.00 5.44 H new ATOM 0 HD13 ILE A 18 -16.544 -24.264 -10.368 1.00 5.44 H new ATOM 303 N GLY A 19 -16.469 -26.357 -14.632 1.00 25.12 N ATOM 304 CA GLY A 19 -16.435 -26.870 -15.979 1.00 43.33 C ATOM 305 C GLY A 19 -17.741 -27.520 -16.367 1.00 21.40 C ATOM 306 O GLY A 19 -18.458 -28.040 -15.510 1.00 61.35 O ATOM 0 H GLY A 19 -16.578 -27.060 -13.901 1.00 25.12 H new ATOM 0 HA2 GLY A 19 -16.214 -26.058 -16.671 1.00 43.33 H new ATOM 0 HA3 GLY A 19 -15.627 -27.596 -16.071 1.00 43.33 H new ATOM 310 N GLY A 20 -18.059 -27.473 -17.653 1.00 24.23 N ATOM 311 CA GLY A 20 -19.259 -28.114 -18.147 1.00 15.43 C ATOM 312 C GLY A 20 -20.451 -27.188 -18.156 1.00 23.05 C ATOM 313 O GLY A 20 -21.590 -27.642 -18.078 1.00 42.13 O ATOM 0 H GLY A 20 -17.504 -27.000 -18.366 1.00 24.23 H new ATOM 0 HA2 GLY A 20 -19.081 -28.480 -19.158 1.00 15.43 H new ATOM 0 HA3 GLY A 20 -19.483 -28.983 -17.528 1.00 15.43 H new ATOM 317 N LEU A 21 -20.197 -25.888 -18.253 1.00 44.43 N ATOM 318 CA LEU A 21 -21.271 -24.905 -18.267 1.00 42.44 C ATOM 319 C LEU A 21 -21.631 -24.512 -19.693 1.00 11.13 C ATOM 320 O LEU A 21 -20.909 -24.835 -20.639 1.00 22.15 O ATOM 321 CB LEU A 21 -20.899 -23.674 -17.423 1.00 22.10 C ATOM 322 CG LEU A 21 -19.486 -23.117 -17.614 1.00 24.13 C ATOM 323 CD1 LEU A 21 -19.421 -22.176 -18.803 1.00 15.13 C ATOM 324 CD2 LEU A 21 -19.030 -22.408 -16.351 1.00 31.30 C ATOM 0 H LEU A 21 -19.259 -25.492 -18.323 1.00 44.43 H new ATOM 0 HA LEU A 21 -22.154 -25.360 -17.818 1.00 42.44 H new ATOM 0 HB2 LEU A 21 -21.612 -22.880 -17.645 1.00 22.10 H new ATOM 0 HB3 LEU A 21 -21.025 -23.931 -16.371 1.00 22.10 H new ATOM 0 HG LEU A 21 -18.816 -23.953 -17.814 1.00 24.13 H new ATOM 0 HD11 LEU A 21 -18.405 -21.797 -18.912 1.00 15.13 H new ATOM 0 HD12 LEU A 21 -19.707 -22.712 -19.708 1.00 15.13 H new ATOM 0 HD13 LEU A 21 -20.104 -21.342 -18.644 1.00 15.13 H new ATOM 0 HD21 LEU A 21 -18.024 -22.015 -16.497 1.00 31.30 H new ATOM 0 HD22 LEU A 21 -19.711 -21.587 -16.129 1.00 31.30 H new ATOM 0 HD23 LEU A 21 -19.027 -23.112 -15.519 1.00 31.30 H new ATOM 336 N SER A 22 -22.753 -23.823 -19.841 1.00 42.34 N ATOM 337 CA SER A 22 -23.255 -23.453 -21.152 1.00 12.33 C ATOM 338 C SER A 22 -22.405 -22.349 -21.773 1.00 52.51 C ATOM 339 O SER A 22 -21.617 -21.696 -21.094 1.00 64.22 O ATOM 340 CB SER A 22 -24.708 -22.996 -21.041 1.00 1.01 C ATOM 341 OG SER A 22 -25.532 -24.025 -20.521 1.00 0.33 O ATOM 0 H SER A 22 -23.334 -23.509 -19.064 1.00 42.34 H new ATOM 0 HA SER A 22 -23.200 -24.328 -21.800 1.00 12.33 H new ATOM 0 HB2 SER A 22 -24.768 -22.119 -20.397 1.00 1.01 H new ATOM 0 HB3 SER A 22 -25.073 -22.696 -22.023 1.00 1.01 H new ATOM 0 HG SER A 22 -26.276 -23.628 -20.023 1.00 0.33 H new ATOM 347 N PHE A 23 -22.595 -22.122 -23.063 1.00 15.11 N ATOM 348 CA PHE A 23 -21.804 -21.141 -23.790 1.00 61.43 C ATOM 349 C PHE A 23 -22.359 -19.740 -23.573 1.00 15.21 C ATOM 350 O PHE A 23 -21.761 -18.752 -23.993 1.00 12.40 O ATOM 351 CB PHE A 23 -21.772 -21.486 -25.280 1.00 32.45 C ATOM 352 CG PHE A 23 -21.196 -22.846 -25.551 1.00 74.02 C ATOM 353 CD1 PHE A 23 -22.026 -23.930 -25.787 1.00 64.04 C ATOM 354 CD2 PHE A 23 -19.824 -23.044 -25.552 1.00 52.02 C ATOM 355 CE1 PHE A 23 -21.499 -25.185 -26.022 1.00 13.35 C ATOM 356 CE2 PHE A 23 -19.292 -24.296 -25.789 1.00 55.23 C ATOM 357 CZ PHE A 23 -20.129 -25.368 -26.022 1.00 35.22 C ATOM 0 H PHE A 23 -23.292 -22.605 -23.630 1.00 15.11 H new ATOM 0 HA PHE A 23 -20.783 -21.164 -23.408 1.00 61.43 H new ATOM 0 HB2 PHE A 23 -22.785 -21.439 -25.681 1.00 32.45 H new ATOM 0 HB3 PHE A 23 -21.185 -20.736 -25.809 1.00 32.45 H new ATOM 0 HD1 PHE A 23 -23.097 -23.792 -25.787 1.00 64.04 H new ATOM 0 HD2 PHE A 23 -19.164 -22.210 -25.365 1.00 52.02 H new ATOM 0 HE1 PHE A 23 -22.156 -26.022 -26.205 1.00 13.35 H new ATOM 0 HE2 PHE A 23 -18.221 -24.436 -25.792 1.00 55.23 H new ATOM 0 HZ PHE A 23 -19.714 -26.348 -26.204 1.00 35.22 H new ATOM 367 N GLU A 24 -23.507 -19.668 -22.912 1.00 43.11 N ATOM 368 CA GLU A 24 -24.104 -18.391 -22.555 1.00 4.44 C ATOM 369 C GLU A 24 -23.682 -17.993 -21.148 1.00 34.51 C ATOM 370 O GLU A 24 -23.945 -16.880 -20.694 1.00 43.10 O ATOM 371 CB GLU A 24 -25.625 -18.467 -22.639 1.00 54.12 C ATOM 372 CG GLU A 24 -26.127 -19.022 -23.957 1.00 4.54 C ATOM 373 CD GLU A 24 -27.619 -18.828 -24.133 1.00 32.31 C ATOM 374 OE1 GLU A 24 -28.391 -19.743 -23.786 1.00 44.42 O ATOM 375 OE2 GLU A 24 -28.027 -17.757 -24.625 1.00 10.43 O ATOM 0 H GLU A 24 -24.043 -20.482 -22.612 1.00 43.11 H new ATOM 0 HA GLU A 24 -23.754 -17.637 -23.261 1.00 4.44 H new ATOM 0 HB2 GLU A 24 -25.996 -19.091 -21.826 1.00 54.12 H new ATOM 0 HB3 GLU A 24 -26.040 -17.470 -22.491 1.00 54.12 H new ATOM 0 HG2 GLU A 24 -25.600 -18.535 -24.778 1.00 4.54 H new ATOM 0 HG3 GLU A 24 -25.892 -20.085 -24.014 1.00 4.54 H new ATOM 382 N THR A 25 -23.048 -18.923 -20.456 1.00 71.11 N ATOM 383 CA THR A 25 -22.513 -18.659 -19.131 1.00 43.53 C ATOM 384 C THR A 25 -21.263 -17.788 -19.218 1.00 20.45 C ATOM 385 O THR A 25 -20.189 -18.255 -19.603 1.00 62.33 O ATOM 386 CB THR A 25 -22.178 -19.969 -18.399 1.00 20.14 C ATOM 387 OG1 THR A 25 -23.350 -20.792 -18.317 1.00 62.41 O ATOM 388 CG2 THR A 25 -21.640 -19.689 -17.002 1.00 31.14 C ATOM 0 H THR A 25 -22.890 -19.873 -20.792 1.00 71.11 H new ATOM 0 HA THR A 25 -23.280 -18.128 -18.566 1.00 43.53 H new ATOM 0 HB THR A 25 -21.406 -20.492 -18.963 1.00 20.14 H new ATOM 0 HG1 THR A 25 -23.307 -21.343 -17.508 1.00 62.41 H new ATOM 0 HG21 THR A 25 -21.411 -20.631 -16.505 1.00 31.14 H new ATOM 0 HG22 THR A 25 -20.734 -19.087 -17.075 1.00 31.14 H new ATOM 0 HG23 THR A 25 -22.390 -19.148 -16.425 1.00 31.14 H new ATOM 396 N THR A 26 -21.418 -16.523 -18.872 1.00 62.43 N ATOM 397 CA THR A 26 -20.316 -15.584 -18.896 1.00 21.01 C ATOM 398 C THR A 26 -20.037 -15.094 -17.478 1.00 11.54 C ATOM 399 O THR A 26 -20.668 -15.554 -16.534 1.00 41.01 O ATOM 400 CB THR A 26 -20.600 -14.398 -19.858 1.00 20.54 C ATOM 401 OG1 THR A 26 -19.424 -13.596 -20.038 1.00 53.42 O ATOM 402 CG2 THR A 26 -21.737 -13.525 -19.348 1.00 23.33 C ATOM 0 H THR A 26 -22.305 -16.122 -18.569 1.00 62.43 H new ATOM 0 HA THR A 26 -19.430 -16.092 -19.276 1.00 21.01 H new ATOM 0 HB THR A 26 -20.895 -14.825 -20.817 1.00 20.54 H new ATOM 0 HG1 THR A 26 -19.623 -12.856 -20.648 1.00 53.42 H new ATOM 0 HG21 THR A 26 -21.908 -12.705 -20.046 1.00 23.33 H new ATOM 0 HG22 THR A 26 -22.644 -14.123 -19.261 1.00 23.33 H new ATOM 0 HG23 THR A 26 -21.475 -13.120 -18.371 1.00 23.33 H new ATOM 410 N ASP A 27 -19.086 -14.181 -17.337 1.00 22.31 N ATOM 411 CA ASP A 27 -18.646 -13.692 -16.025 1.00 2.13 C ATOM 412 C ASP A 27 -19.819 -13.302 -15.130 1.00 63.14 C ATOM 413 O ASP A 27 -19.959 -13.815 -14.015 1.00 22.44 O ATOM 414 CB ASP A 27 -17.711 -12.498 -16.206 1.00 2.40 C ATOM 415 CG ASP A 27 -17.270 -11.879 -14.894 1.00 55.10 C ATOM 416 OD1 ASP A 27 -16.200 -12.257 -14.383 1.00 54.42 O ATOM 417 OD2 ASP A 27 -17.976 -10.988 -14.383 1.00 54.40 O ATOM 0 H ASP A 27 -18.595 -13.755 -18.123 1.00 22.31 H new ATOM 0 HA ASP A 27 -18.118 -14.508 -15.532 1.00 2.13 H new ATOM 0 HB2 ASP A 27 -16.830 -12.816 -16.764 1.00 2.40 H new ATOM 0 HB3 ASP A 27 -18.213 -11.740 -16.807 1.00 2.40 H new ATOM 422 N GLU A 28 -20.671 -12.415 -15.627 1.00 64.41 N ATOM 423 CA GLU A 28 -21.802 -11.927 -14.848 1.00 23.54 C ATOM 424 C GLU A 28 -22.795 -13.042 -14.536 1.00 34.04 C ATOM 425 O GLU A 28 -23.367 -13.077 -13.447 1.00 21.31 O ATOM 426 CB GLU A 28 -22.510 -10.778 -15.573 1.00 20.44 C ATOM 427 CG GLU A 28 -23.074 -11.154 -16.934 1.00 62.44 C ATOM 428 CD GLU A 28 -23.861 -10.029 -17.569 1.00 51.14 C ATOM 429 OE1 GLU A 28 -25.104 -10.124 -17.630 1.00 12.24 O ATOM 430 OE2 GLU A 28 -23.244 -9.041 -18.012 1.00 65.32 O ATOM 0 H GLU A 28 -20.601 -12.019 -16.564 1.00 64.41 H new ATOM 0 HA GLU A 28 -21.405 -11.555 -13.903 1.00 23.54 H new ATOM 0 HB2 GLU A 28 -23.322 -10.412 -14.944 1.00 20.44 H new ATOM 0 HB3 GLU A 28 -21.807 -9.954 -15.698 1.00 20.44 H new ATOM 0 HG2 GLU A 28 -22.256 -11.439 -17.596 1.00 62.44 H new ATOM 0 HG3 GLU A 28 -23.717 -12.028 -16.828 1.00 62.44 H new ATOM 437 N SER A 29 -22.982 -13.970 -15.465 1.00 54.42 N ATOM 438 CA SER A 29 -23.980 -15.009 -15.281 1.00 1.31 C ATOM 439 C SER A 29 -23.402 -16.202 -14.528 1.00 50.42 C ATOM 440 O SER A 29 -24.141 -17.058 -14.048 1.00 11.33 O ATOM 441 CB SER A 29 -24.568 -15.432 -16.625 1.00 12.24 C ATOM 442 OG SER A 29 -23.600 -15.364 -17.659 1.00 14.25 O ATOM 0 H SER A 29 -22.463 -14.023 -16.341 1.00 54.42 H new ATOM 0 HA SER A 29 -24.787 -14.601 -14.673 1.00 1.31 H new ATOM 0 HB2 SER A 29 -24.953 -16.449 -16.551 1.00 12.24 H new ATOM 0 HB3 SER A 29 -25.413 -14.789 -16.873 1.00 12.24 H new ATOM 0 HG SER A 29 -24.006 -15.642 -18.506 1.00 14.25 H new ATOM 448 N LEU A 30 -22.080 -16.252 -14.418 1.00 74.20 N ATOM 449 CA LEU A 30 -21.431 -17.270 -13.612 1.00 2.10 C ATOM 450 C LEU A 30 -21.460 -16.855 -12.153 1.00 50.54 C ATOM 451 O LEU A 30 -21.893 -17.612 -11.283 1.00 10.45 O ATOM 452 CB LEU A 30 -19.977 -17.487 -14.042 1.00 55.41 C ATOM 453 CG LEU A 30 -19.223 -18.531 -13.214 1.00 33.25 C ATOM 454 CD1 LEU A 30 -19.673 -19.934 -13.582 1.00 21.45 C ATOM 455 CD2 LEU A 30 -17.719 -18.388 -13.385 1.00 20.50 C ATOM 0 H LEU A 30 -21.442 -15.601 -14.876 1.00 74.20 H new ATOM 0 HA LEU A 30 -21.973 -18.205 -13.753 1.00 2.10 H new ATOM 0 HB2 LEU A 30 -19.962 -17.791 -15.089 1.00 55.41 H new ATOM 0 HB3 LEU A 30 -19.446 -16.537 -13.978 1.00 55.41 H new ATOM 0 HG LEU A 30 -19.458 -18.358 -12.164 1.00 33.25 H new ATOM 0 HD11 LEU A 30 -19.125 -20.661 -12.982 1.00 21.45 H new ATOM 0 HD12 LEU A 30 -20.741 -20.036 -13.389 1.00 21.45 H new ATOM 0 HD13 LEU A 30 -19.476 -20.114 -14.639 1.00 21.45 H new ATOM 0 HD21 LEU A 30 -17.211 -19.143 -12.785 1.00 20.50 H new ATOM 0 HD22 LEU A 30 -17.458 -18.523 -14.435 1.00 20.50 H new ATOM 0 HD23 LEU A 30 -17.408 -17.396 -13.058 1.00 20.50 H new ATOM 467 N ARG A 31 -21.018 -15.631 -11.894 1.00 55.12 N ATOM 468 CA ARG A 31 -20.899 -15.155 -10.531 1.00 24.43 C ATOM 469 C ARG A 31 -22.268 -15.089 -9.863 1.00 71.22 C ATOM 470 O ARG A 31 -22.398 -15.434 -8.702 1.00 15.41 O ATOM 471 CB ARG A 31 -20.181 -13.798 -10.470 1.00 75.44 C ATOM 472 CG ARG A 31 -21.091 -12.593 -10.601 1.00 65.12 C ATOM 473 CD ARG A 31 -20.295 -11.302 -10.607 1.00 23.23 C ATOM 474 NE ARG A 31 -21.144 -10.135 -10.834 1.00 31.55 N ATOM 475 CZ ARG A 31 -21.112 -9.037 -10.086 1.00 3.10 C ATOM 476 NH1 ARG A 31 -20.314 -8.971 -9.025 1.00 11.24 N ATOM 477 NH2 ARG A 31 -21.888 -8.009 -10.396 1.00 52.04 N ATOM 0 H ARG A 31 -20.739 -14.957 -12.607 1.00 55.12 H new ATOM 0 HA ARG A 31 -20.287 -15.868 -9.979 1.00 24.43 H new ATOM 0 HB2 ARG A 31 -19.643 -13.729 -9.524 1.00 75.44 H new ATOM 0 HB3 ARG A 31 -19.435 -13.761 -11.264 1.00 75.44 H new ATOM 0 HG2 ARG A 31 -21.671 -12.670 -11.521 1.00 65.12 H new ATOM 0 HG3 ARG A 31 -21.803 -12.580 -9.776 1.00 65.12 H new ATOM 0 HD2 ARG A 31 -19.775 -11.192 -9.655 1.00 23.23 H new ATOM 0 HD3 ARG A 31 -19.531 -11.351 -11.383 1.00 23.23 H new ATOM 0 HE ARG A 31 -21.801 -10.165 -11.614 1.00 31.55 H new ATOM 0 HH11 ARG A 31 -19.722 -9.765 -8.782 1.00 11.24 H new ATOM 0 HH12 ARG A 31 -20.293 -8.126 -8.454 1.00 11.24 H new ATOM 0 HH21 ARG A 31 -22.506 -8.063 -11.206 1.00 52.04 H new ATOM 0 HH22 ARG A 31 -21.867 -7.164 -9.825 1.00 52.04 H new ATOM 491 N SER A 32 -23.296 -14.701 -10.609 1.00 60.12 N ATOM 492 CA SER A 32 -24.638 -14.596 -10.047 1.00 12.24 C ATOM 493 C SER A 32 -25.124 -15.948 -9.521 1.00 44.44 C ATOM 494 O SER A 32 -25.824 -16.018 -8.511 1.00 22.00 O ATOM 495 CB SER A 32 -25.610 -14.055 -11.097 1.00 44.42 C ATOM 496 OG SER A 32 -25.199 -12.777 -11.558 1.00 74.12 O ATOM 0 H SER A 32 -23.228 -14.456 -11.597 1.00 60.12 H new ATOM 0 HA SER A 32 -24.600 -13.902 -9.208 1.00 12.24 H new ATOM 0 HB2 SER A 32 -25.667 -14.748 -11.937 1.00 44.42 H new ATOM 0 HB3 SER A 32 -26.611 -13.988 -10.671 1.00 44.42 H new ATOM 0 HG SER A 32 -24.592 -12.884 -12.320 1.00 74.12 H new ATOM 502 N HIS A 33 -24.725 -17.020 -10.189 1.00 34.10 N ATOM 503 CA HIS A 33 -25.143 -18.355 -9.795 1.00 14.24 C ATOM 504 C HIS A 33 -24.182 -18.981 -8.791 1.00 42.41 C ATOM 505 O HIS A 33 -24.428 -20.076 -8.300 1.00 64.31 O ATOM 506 CB HIS A 33 -25.285 -19.256 -11.019 1.00 43.21 C ATOM 507 CG HIS A 33 -26.577 -19.062 -11.745 1.00 62.30 C ATOM 508 ND1 HIS A 33 -26.738 -18.066 -12.676 1.00 63.14 N ATOM 509 CD2 HIS A 33 -27.736 -19.749 -11.628 1.00 72.32 C ATOM 510 CE1 HIS A 33 -27.983 -18.168 -13.099 1.00 13.13 C ATOM 511 NE2 HIS A 33 -28.626 -19.174 -12.494 1.00 72.11 N ATOM 0 H HIS A 33 -24.113 -16.991 -11.005 1.00 34.10 H new ATOM 0 HA HIS A 33 -26.113 -18.258 -9.308 1.00 14.24 H new ATOM 0 HB2 HIS A 33 -24.459 -19.062 -11.703 1.00 43.21 H new ATOM 0 HB3 HIS A 33 -25.203 -20.297 -10.707 1.00 43.21 H new ATOM 0 HD1 HIS A 33 -26.039 -17.387 -12.978 1.00 63.14 H new ATOM 0 HD2 HIS A 33 -27.923 -20.590 -10.976 1.00 72.32 H new ATOM 0 HE1 HIS A 33 -28.428 -17.521 -13.841 1.00 13.13 H new ATOM 519 N PHE A 34 -23.088 -18.301 -8.488 1.00 15.54 N ATOM 520 CA PHE A 34 -22.151 -18.808 -7.491 1.00 13.40 C ATOM 521 C PHE A 34 -22.043 -17.886 -6.275 1.00 20.00 C ATOM 522 O PHE A 34 -21.567 -18.305 -5.221 1.00 12.20 O ATOM 523 CB PHE A 34 -20.778 -19.063 -8.112 1.00 44.40 C ATOM 524 CG PHE A 34 -20.702 -20.370 -8.851 1.00 51.32 C ATOM 525 CD1 PHE A 34 -20.303 -21.523 -8.195 1.00 31.24 C ATOM 526 CD2 PHE A 34 -21.036 -20.450 -10.193 1.00 34.33 C ATOM 527 CE1 PHE A 34 -20.240 -22.730 -8.862 1.00 64.13 C ATOM 528 CE2 PHE A 34 -20.972 -21.655 -10.865 1.00 13.51 C ATOM 529 CZ PHE A 34 -20.574 -22.798 -10.199 1.00 20.10 C ATOM 0 H PHE A 34 -22.827 -17.410 -8.909 1.00 15.54 H new ATOM 0 HA PHE A 34 -22.547 -19.758 -7.133 1.00 13.40 H new ATOM 0 HB2 PHE A 34 -20.538 -18.250 -8.797 1.00 44.40 H new ATOM 0 HB3 PHE A 34 -20.022 -19.051 -7.327 1.00 44.40 H new ATOM 0 HD1 PHE A 34 -20.038 -21.477 -7.149 1.00 31.24 H new ATOM 0 HD2 PHE A 34 -21.350 -19.561 -10.719 1.00 34.33 H new ATOM 0 HE1 PHE A 34 -19.929 -23.621 -8.337 1.00 64.13 H new ATOM 0 HE2 PHE A 34 -21.233 -21.704 -11.912 1.00 13.51 H new ATOM 0 HZ PHE A 34 -20.524 -23.741 -10.723 1.00 20.10 H new ATOM 539 N GLU A 35 -22.512 -16.646 -6.402 1.00 51.33 N ATOM 540 CA GLU A 35 -22.538 -15.714 -5.271 1.00 74.13 C ATOM 541 C GLU A 35 -23.673 -16.063 -4.312 1.00 51.30 C ATOM 542 O GLU A 35 -23.962 -15.325 -3.373 1.00 2.42 O ATOM 543 CB GLU A 35 -22.697 -14.264 -5.735 1.00 12.22 C ATOM 544 CG GLU A 35 -21.475 -13.701 -6.438 1.00 14.23 C ATOM 545 CD GLU A 35 -21.586 -12.212 -6.694 1.00 44.43 C ATOM 546 OE1 GLU A 35 -20.781 -11.450 -6.119 1.00 50.31 O ATOM 547 OE2 GLU A 35 -22.480 -11.796 -7.460 1.00 72.05 O ATOM 0 H GLU A 35 -22.879 -16.262 -7.273 1.00 51.33 H new ATOM 0 HA GLU A 35 -21.582 -15.809 -4.757 1.00 74.13 H new ATOM 0 HB2 GLU A 35 -23.552 -14.201 -6.409 1.00 12.22 H new ATOM 0 HB3 GLU A 35 -22.925 -13.640 -4.871 1.00 12.22 H new ATOM 0 HG2 GLU A 35 -20.590 -13.897 -5.833 1.00 14.23 H new ATOM 0 HG3 GLU A 35 -21.335 -14.220 -7.386 1.00 14.23 H new ATOM 554 N GLN A 36 -24.307 -17.196 -4.554 1.00 54.40 N ATOM 555 CA GLN A 36 -25.418 -17.645 -3.734 1.00 15.22 C ATOM 556 C GLN A 36 -24.925 -18.380 -2.494 1.00 63.42 C ATOM 557 O GLN A 36 -25.579 -18.369 -1.455 1.00 72.50 O ATOM 558 CB GLN A 36 -26.330 -18.546 -4.557 1.00 44.22 C ATOM 559 CG GLN A 36 -27.255 -17.772 -5.488 1.00 34.43 C ATOM 560 CD GLN A 36 -27.881 -18.633 -6.571 1.00 3.24 C ATOM 561 OE1 GLN A 36 -29.012 -18.396 -6.992 1.00 24.41 O ATOM 562 NE2 GLN A 36 -27.142 -19.617 -7.056 1.00 32.21 N ATOM 0 H GLN A 36 -24.069 -17.827 -5.319 1.00 54.40 H new ATOM 0 HA GLN A 36 -25.978 -16.771 -3.401 1.00 15.22 H new ATOM 0 HB2 GLN A 36 -25.719 -19.229 -5.147 1.00 44.22 H new ATOM 0 HB3 GLN A 36 -26.931 -19.157 -3.883 1.00 44.22 H new ATOM 0 HG2 GLN A 36 -28.047 -17.310 -4.899 1.00 34.43 H new ATOM 0 HG3 GLN A 36 -26.693 -16.964 -5.956 1.00 34.43 H new ATOM 0 HE21 GLN A 36 -26.208 -19.785 -6.683 1.00 32.21 H new ATOM 0 HE22 GLN A 36 -27.506 -20.208 -7.803 1.00 32.21 H new ATOM 571 N TRP A 37 -23.762 -19.008 -2.602 1.00 23.44 N ATOM 572 CA TRP A 37 -23.199 -19.752 -1.484 1.00 71.44 C ATOM 573 C TRP A 37 -22.011 -19.007 -0.891 1.00 52.32 C ATOM 574 O TRP A 37 -21.274 -19.547 -0.066 1.00 34.14 O ATOM 575 CB TRP A 37 -22.785 -21.161 -1.924 1.00 32.54 C ATOM 576 CG TRP A 37 -23.944 -22.001 -2.382 1.00 13.21 C ATOM 577 CD1 TRP A 37 -24.659 -22.889 -1.633 1.00 65.45 C ATOM 578 CD2 TRP A 37 -24.522 -22.031 -3.689 1.00 44.24 C ATOM 579 NE1 TRP A 37 -25.650 -23.454 -2.388 1.00 25.22 N ATOM 580 CE2 TRP A 37 -25.588 -22.947 -3.654 1.00 15.11 C ATOM 581 CE3 TRP A 37 -24.248 -21.369 -4.883 1.00 42.04 C ATOM 582 CZ2 TRP A 37 -26.375 -23.219 -4.767 1.00 20.52 C ATOM 583 CZ3 TRP A 37 -25.031 -21.641 -5.985 1.00 13.21 C ATOM 584 CH2 TRP A 37 -26.083 -22.558 -5.921 1.00 51.03 C ATOM 0 H TRP A 37 -23.192 -19.017 -3.448 1.00 23.44 H new ATOM 0 HA TRP A 37 -23.966 -19.846 -0.715 1.00 71.44 H new ATOM 0 HB2 TRP A 37 -22.058 -21.084 -2.733 1.00 32.54 H new ATOM 0 HB3 TRP A 37 -22.286 -21.662 -1.094 1.00 32.54 H new ATOM 0 HD1 TRP A 37 -24.470 -23.114 -0.594 1.00 65.45 H new ATOM 0 HE1 TRP A 37 -26.326 -24.143 -2.058 1.00 25.22 H new ATOM 0 HE3 TRP A 37 -23.438 -20.657 -4.945 1.00 42.04 H new ATOM 0 HZ2 TRP A 37 -27.188 -23.928 -4.718 1.00 20.52 H new ATOM 0 HZ3 TRP A 37 -24.827 -21.135 -6.917 1.00 13.21 H new ATOM 0 HH2 TRP A 37 -26.676 -22.746 -6.804 1.00 51.03 H new ATOM 595 N GLY A 38 -21.839 -17.758 -1.302 1.00 64.02 N ATOM 596 CA GLY A 38 -20.748 -16.961 -0.779 1.00 4.54 C ATOM 597 C GLY A 38 -20.466 -15.721 -1.601 1.00 71.44 C ATOM 598 O GLY A 38 -21.322 -15.255 -2.351 1.00 1.31 O ATOM 0 H GLY A 38 -22.432 -17.285 -1.984 1.00 64.02 H new ATOM 0 HA2 GLY A 38 -20.981 -16.665 0.244 1.00 4.54 H new ATOM 0 HA3 GLY A 38 -19.847 -17.573 -0.737 1.00 4.54 H new ATOM 602 N THR A 39 -19.262 -15.192 -1.455 1.00 4.40 N ATOM 603 CA THR A 39 -18.851 -13.983 -2.147 1.00 74.55 C ATOM 604 C THR A 39 -17.719 -14.276 -3.127 1.00 2.31 C ATOM 605 O THR A 39 -16.669 -14.767 -2.730 1.00 51.15 O ATOM 606 CB THR A 39 -18.381 -12.921 -1.132 1.00 31.13 C ATOM 607 OG1 THR A 39 -19.490 -12.469 -0.341 1.00 55.03 O ATOM 608 CG2 THR A 39 -17.724 -11.741 -1.829 1.00 72.41 C ATOM 0 H THR A 39 -18.542 -15.590 -0.852 1.00 4.40 H new ATOM 0 HA THR A 39 -19.710 -13.605 -2.701 1.00 74.55 H new ATOM 0 HB THR A 39 -17.639 -13.384 -0.482 1.00 31.13 H new ATOM 0 HG1 THR A 39 -19.181 -11.796 0.301 1.00 55.03 H new ATOM 0 HG21 THR A 39 -17.404 -11.011 -1.085 1.00 72.41 H new ATOM 0 HG22 THR A 39 -16.858 -12.088 -2.393 1.00 72.41 H new ATOM 0 HG23 THR A 39 -18.438 -11.277 -2.509 1.00 72.41 H new ATOM 616 N LEU A 40 -17.925 -13.980 -4.403 1.00 10.53 N ATOM 617 CA LEU A 40 -16.882 -14.193 -5.390 1.00 14.32 C ATOM 618 C LEU A 40 -16.049 -12.938 -5.546 1.00 43.00 C ATOM 619 O LEU A 40 -16.453 -11.982 -6.212 1.00 35.25 O ATOM 620 CB LEU A 40 -17.478 -14.616 -6.726 1.00 62.21 C ATOM 621 CG LEU A 40 -18.410 -15.811 -6.632 1.00 21.53 C ATOM 622 CD1 LEU A 40 -19.133 -16.034 -7.937 1.00 51.44 C ATOM 623 CD2 LEU A 40 -17.639 -17.048 -6.216 1.00 11.41 C ATOM 0 H LEU A 40 -18.795 -13.596 -4.773 1.00 10.53 H new ATOM 0 HA LEU A 40 -16.235 -14.999 -5.043 1.00 14.32 H new ATOM 0 HB2 LEU A 40 -18.024 -13.774 -7.152 1.00 62.21 H new ATOM 0 HB3 LEU A 40 -16.668 -14.853 -7.416 1.00 62.21 H new ATOM 0 HG LEU A 40 -19.161 -15.604 -5.870 1.00 21.53 H new ATOM 0 HD11 LEU A 40 -19.794 -16.895 -7.844 1.00 51.44 H new ATOM 0 HD12 LEU A 40 -19.721 -15.150 -8.183 1.00 51.44 H new ATOM 0 HD13 LEU A 40 -18.407 -16.218 -8.729 1.00 51.44 H new ATOM 0 HD21 LEU A 40 -18.320 -17.897 -6.153 1.00 11.41 H new ATOM 0 HD22 LEU A 40 -16.864 -17.259 -6.953 1.00 11.41 H new ATOM 0 HD23 LEU A 40 -17.178 -16.879 -5.243 1.00 11.41 H new ATOM 635 N THR A 41 -14.896 -12.952 -4.907 1.00 4.25 N ATOM 636 CA THR A 41 -13.980 -11.830 -4.927 1.00 32.54 C ATOM 637 C THR A 41 -13.255 -11.767 -6.264 1.00 62.45 C ATOM 638 O THR A 41 -12.749 -10.718 -6.670 1.00 75.22 O ATOM 639 CB THR A 41 -12.958 -11.955 -3.780 1.00 75.40 C ATOM 640 OG1 THR A 41 -12.274 -13.215 -3.868 1.00 53.43 O ATOM 641 CG2 THR A 41 -13.654 -11.854 -2.433 1.00 72.05 C ATOM 0 H THR A 41 -14.567 -13.746 -4.357 1.00 4.25 H new ATOM 0 HA THR A 41 -14.552 -10.912 -4.791 1.00 32.54 H new ATOM 0 HB THR A 41 -12.239 -11.141 -3.870 1.00 75.40 H new ATOM 0 HG1 THR A 41 -11.625 -13.287 -3.137 1.00 53.43 H new ATOM 0 HG21 THR A 41 -12.917 -11.944 -1.635 1.00 72.05 H new ATOM 0 HG22 THR A 41 -14.157 -10.890 -2.355 1.00 72.05 H new ATOM 0 HG23 THR A 41 -14.388 -12.655 -2.342 1.00 72.05 H new ATOM 649 N ASP A 42 -13.224 -12.902 -6.947 1.00 64.50 N ATOM 650 CA ASP A 42 -12.578 -13.008 -8.243 1.00 55.11 C ATOM 651 C ASP A 42 -13.364 -13.938 -9.141 1.00 23.14 C ATOM 652 O ASP A 42 -13.329 -15.154 -8.971 1.00 31.13 O ATOM 653 CB ASP A 42 -11.153 -13.529 -8.087 1.00 45.33 C ATOM 654 CG ASP A 42 -10.454 -13.734 -9.411 1.00 62.44 C ATOM 655 OD1 ASP A 42 -10.261 -14.903 -9.807 1.00 24.12 O ATOM 656 OD2 ASP A 42 -10.092 -12.728 -10.060 1.00 32.43 O ATOM 0 H ASP A 42 -13.645 -13.771 -6.618 1.00 64.50 H new ATOM 0 HA ASP A 42 -12.544 -12.016 -8.694 1.00 55.11 H new ATOM 0 HB2 ASP A 42 -10.579 -12.826 -7.484 1.00 45.33 H new ATOM 0 HB3 ASP A 42 -11.174 -14.473 -7.543 1.00 45.33 H new ATOM 661 N CYS A 43 -14.098 -13.372 -10.070 1.00 5.21 N ATOM 662 CA CYS A 43 -14.853 -14.170 -11.008 1.00 4.40 C ATOM 663 C CYS A 43 -14.265 -14.012 -12.403 1.00 13.24 C ATOM 664 O CYS A 43 -13.745 -12.947 -12.742 1.00 41.31 O ATOM 665 CB CYS A 43 -16.327 -13.761 -10.987 1.00 1.53 C ATOM 666 SG CYS A 43 -16.612 -12.015 -11.361 1.00 33.14 S ATOM 0 H CYS A 43 -14.189 -12.364 -10.197 1.00 5.21 H new ATOM 0 HA CYS A 43 -14.791 -15.219 -10.720 1.00 4.40 H new ATOM 0 HB2 CYS A 43 -16.873 -14.370 -11.708 1.00 1.53 H new ATOM 0 HB3 CYS A 43 -16.741 -13.983 -10.004 1.00 1.53 H new ATOM 0 HG CYS A 43 -16.347 -11.791 -12.614 1.00 33.14 H new ATOM 672 N VAL A 44 -14.306 -15.077 -13.191 1.00 43.44 N ATOM 673 CA VAL A 44 -13.797 -15.025 -14.551 1.00 24.24 C ATOM 674 C VAL A 44 -14.217 -16.259 -15.338 1.00 3.34 C ATOM 675 O VAL A 44 -14.266 -17.364 -14.806 1.00 53.41 O ATOM 676 CB VAL A 44 -12.253 -14.893 -14.579 1.00 13.23 C ATOM 677 CG1 VAL A 44 -11.585 -16.091 -13.916 1.00 41.40 C ATOM 678 CG2 VAL A 44 -11.750 -14.715 -16.004 1.00 0.01 C ATOM 0 H VAL A 44 -14.685 -15.982 -12.913 1.00 43.44 H new ATOM 0 HA VAL A 44 -14.228 -14.139 -15.018 1.00 24.24 H new ATOM 0 HB VAL A 44 -11.985 -14.003 -14.009 1.00 13.23 H new ATOM 0 HG11 VAL A 44 -10.502 -15.970 -13.951 1.00 41.40 H new ATOM 0 HG12 VAL A 44 -11.909 -16.160 -12.877 1.00 41.40 H new ATOM 0 HG13 VAL A 44 -11.865 -17.002 -14.444 1.00 41.40 H new ATOM 0 HG21 VAL A 44 -10.664 -14.625 -15.998 1.00 0.01 H new ATOM 0 HG22 VAL A 44 -12.039 -15.579 -16.602 1.00 0.01 H new ATOM 0 HG23 VAL A 44 -12.187 -13.814 -16.434 1.00 0.01 H new ATOM 688 N VAL A 45 -14.545 -16.060 -16.598 1.00 0.30 N ATOM 689 CA VAL A 45 -14.849 -17.163 -17.489 1.00 12.33 C ATOM 690 C VAL A 45 -13.916 -17.118 -18.683 1.00 32.13 C ATOM 691 O VAL A 45 -13.440 -16.052 -19.062 1.00 5.21 O ATOM 692 CB VAL A 45 -16.312 -17.126 -17.980 1.00 30.04 C ATOM 693 CG1 VAL A 45 -17.266 -17.248 -16.807 1.00 21.53 C ATOM 694 CG2 VAL A 45 -16.593 -15.856 -18.770 1.00 65.12 C ATOM 0 H VAL A 45 -14.608 -15.139 -17.031 1.00 0.30 H new ATOM 0 HA VAL A 45 -14.710 -18.089 -16.931 1.00 12.33 H new ATOM 0 HB VAL A 45 -16.468 -17.975 -18.645 1.00 30.04 H new ATOM 0 HG11 VAL A 45 -18.294 -17.220 -17.169 1.00 21.53 H new ATOM 0 HG12 VAL A 45 -17.089 -18.191 -16.290 1.00 21.53 H new ATOM 0 HG13 VAL A 45 -17.102 -16.420 -16.117 1.00 21.53 H new ATOM 0 HG21 VAL A 45 -17.631 -15.857 -19.103 1.00 65.12 H new ATOM 0 HG22 VAL A 45 -16.416 -14.987 -18.136 1.00 65.12 H new ATOM 0 HG23 VAL A 45 -15.934 -15.813 -19.637 1.00 65.12 H new ATOM 704 N MET A 46 -13.632 -18.265 -19.261 1.00 64.31 N ATOM 705 CA MET A 46 -12.840 -18.300 -20.471 1.00 31.10 C ATOM 706 C MET A 46 -13.780 -18.181 -21.652 1.00 63.43 C ATOM 707 O MET A 46 -14.840 -18.800 -21.653 1.00 72.10 O ATOM 708 CB MET A 46 -12.013 -19.587 -20.545 1.00 4.03 C ATOM 709 CG MET A 46 -11.127 -19.792 -19.330 1.00 20.50 C ATOM 710 SD MET A 46 -10.010 -18.409 -19.049 1.00 60.33 S ATOM 711 CE MET A 46 -9.380 -18.838 -17.432 1.00 2.44 C ATOM 0 H MET A 46 -13.934 -19.177 -18.917 1.00 64.31 H new ATOM 0 HA MET A 46 -12.133 -17.470 -20.480 1.00 31.10 H new ATOM 0 HB2 MET A 46 -12.685 -20.439 -20.646 1.00 4.03 H new ATOM 0 HB3 MET A 46 -11.392 -19.563 -21.441 1.00 4.03 H new ATOM 0 HG2 MET A 46 -11.752 -19.935 -18.449 1.00 20.50 H new ATOM 0 HG3 MET A 46 -10.545 -20.704 -19.459 1.00 20.50 H new ATOM 0 HE1 MET A 46 -8.604 -18.129 -17.144 1.00 2.44 H new ATOM 0 HE2 MET A 46 -10.191 -18.804 -16.705 1.00 2.44 H new ATOM 0 HE3 MET A 46 -8.960 -19.843 -17.460 1.00 2.44 H new ATOM 856 N ARG A 55 -16.135 -20.557 -23.129 1.00 4.14 N ATOM 857 CA ARG A 55 -15.400 -21.732 -23.552 1.00 14.00 C ATOM 858 C ARG A 55 -15.955 -22.976 -22.879 1.00 62.24 C ATOM 859 O ARG A 55 -15.360 -24.049 -22.955 1.00 71.24 O ATOM 860 CB ARG A 55 -13.918 -21.589 -23.218 1.00 62.22 C ATOM 861 CG ARG A 55 -13.092 -20.965 -24.325 1.00 32.31 C ATOM 862 CD ARG A 55 -11.605 -21.147 -24.072 1.00 65.30 C ATOM 863 NE ARG A 55 -11.228 -22.562 -24.075 1.00 52.13 N ATOM 864 CZ ARG A 55 -10.106 -23.048 -23.546 1.00 42.31 C ATOM 865 NH1 ARG A 55 -9.254 -22.247 -22.921 1.00 20.32 N ATOM 866 NH2 ARG A 55 -9.849 -24.349 -23.631 1.00 13.25 N ATOM 0 HA ARG A 55 -15.512 -21.829 -24.632 1.00 14.00 H new ATOM 0 HB2 ARG A 55 -13.816 -20.983 -22.318 1.00 62.22 H new ATOM 0 HB3 ARG A 55 -13.512 -22.574 -22.987 1.00 62.22 H new ATOM 0 HG2 ARG A 55 -13.359 -21.417 -25.280 1.00 32.31 H new ATOM 0 HG3 ARG A 55 -13.323 -19.902 -24.400 1.00 32.31 H new ATOM 0 HD2 ARG A 55 -11.037 -20.617 -24.837 1.00 65.30 H new ATOM 0 HD3 ARG A 55 -11.341 -20.701 -23.113 1.00 65.30 H new ATOM 0 HE ARG A 55 -11.870 -23.222 -24.513 1.00 52.13 H new ATOM 0 HH11 ARG A 55 -9.455 -21.250 -22.842 1.00 20.32 H new ATOM 0 HH12 ARG A 55 -8.397 -22.628 -22.519 1.00 20.32 H new ATOM 0 HH21 ARG A 55 -10.509 -24.970 -24.099 1.00 13.25 H new ATOM 0 HH22 ARG A 55 -8.992 -24.727 -23.228 1.00 13.25 H new ATOM 880 N GLY A 56 -17.086 -22.820 -22.205 1.00 1.43 N ATOM 881 CA GLY A 56 -17.736 -23.957 -21.589 1.00 23.41 C ATOM 882 C GLY A 56 -17.228 -24.237 -20.187 1.00 31.45 C ATOM 883 O GLY A 56 -17.545 -25.276 -19.602 1.00 42.34 O ATOM 0 H GLY A 56 -17.563 -21.928 -22.074 1.00 1.43 H new ATOM 0 HA2 GLY A 56 -18.811 -23.779 -21.552 1.00 23.41 H new ATOM 0 HA3 GLY A 56 -17.580 -24.839 -22.210 1.00 23.41 H new ATOM 887 N PHE A 57 -16.448 -23.308 -19.641 1.00 2.20 N ATOM 888 CA PHE A 57 -15.950 -23.432 -18.276 1.00 32.21 C ATOM 889 C PHE A 57 -15.427 -22.085 -17.770 1.00 22.11 C ATOM 890 O PHE A 57 -15.106 -21.193 -18.563 1.00 32.53 O ATOM 891 CB PHE A 57 -14.857 -24.510 -18.184 1.00 40.12 C ATOM 892 CG PHE A 57 -13.543 -24.118 -18.793 1.00 15.12 C ATOM 893 CD1 PHE A 57 -12.479 -23.768 -17.984 1.00 60.21 C ATOM 894 CD2 PHE A 57 -13.376 -24.092 -20.165 1.00 22.02 C ATOM 895 CE1 PHE A 57 -11.268 -23.396 -18.531 1.00 5.52 C ATOM 896 CE2 PHE A 57 -12.167 -23.723 -20.721 1.00 5.13 C ATOM 897 CZ PHE A 57 -11.112 -23.373 -19.903 1.00 61.12 C ATOM 0 H PHE A 57 -16.148 -22.461 -20.124 1.00 2.20 H new ATOM 0 HA PHE A 57 -16.779 -23.740 -17.639 1.00 32.21 H new ATOM 0 HB2 PHE A 57 -14.697 -24.758 -17.135 1.00 40.12 H new ATOM 0 HB3 PHE A 57 -15.215 -25.415 -18.675 1.00 40.12 H new ATOM 0 HD1 PHE A 57 -12.597 -23.786 -16.911 1.00 60.21 H new ATOM 0 HD2 PHE A 57 -14.200 -24.363 -20.809 1.00 22.02 H new ATOM 0 HE1 PHE A 57 -10.444 -23.124 -17.888 1.00 5.52 H new ATOM 0 HE2 PHE A 57 -12.047 -23.708 -21.794 1.00 5.13 H new ATOM 0 HZ PHE A 57 -10.166 -23.082 -20.335 1.00 61.12 H new ATOM 907 N GLY A 58 -15.352 -21.942 -16.452 1.00 12.34 N ATOM 908 CA GLY A 58 -14.907 -20.697 -15.855 1.00 45.01 C ATOM 909 C GLY A 58 -14.383 -20.889 -14.443 1.00 33.40 C ATOM 910 O GLY A 58 -14.251 -22.020 -13.974 1.00 24.42 O ATOM 0 H GLY A 58 -15.593 -22.672 -15.782 1.00 12.34 H new ATOM 0 HA2 GLY A 58 -14.124 -20.259 -16.474 1.00 45.01 H new ATOM 0 HA3 GLY A 58 -15.735 -19.988 -15.840 1.00 45.01 H new ATOM 914 N PHE A 59 -14.087 -19.785 -13.769 1.00 52.01 N ATOM 915 CA PHE A 59 -13.532 -19.821 -12.422 1.00 70.34 C ATOM 916 C PHE A 59 -14.214 -18.796 -11.521 1.00 34.53 C ATOM 917 O PHE A 59 -14.644 -17.735 -11.976 1.00 65.34 O ATOM 918 CB PHE A 59 -12.027 -19.539 -12.448 1.00 23.20 C ATOM 919 CG PHE A 59 -11.219 -20.568 -13.184 1.00 21.12 C ATOM 920 CD1 PHE A 59 -10.747 -21.690 -12.527 1.00 12.42 C ATOM 921 CD2 PHE A 59 -10.921 -20.406 -14.526 1.00 32.32 C ATOM 922 CE1 PHE A 59 -9.993 -22.632 -13.195 1.00 50.12 C ATOM 923 CE2 PHE A 59 -10.169 -21.348 -15.201 1.00 40.42 C ATOM 924 CZ PHE A 59 -9.703 -22.462 -14.534 1.00 51.30 C ATOM 0 H PHE A 59 -14.224 -18.844 -14.138 1.00 52.01 H new ATOM 0 HA PHE A 59 -13.708 -20.820 -12.024 1.00 70.34 H new ATOM 0 HB2 PHE A 59 -11.859 -18.565 -12.908 1.00 23.20 H new ATOM 0 HB3 PHE A 59 -11.663 -19.474 -11.422 1.00 23.20 H new ATOM 0 HD1 PHE A 59 -10.971 -21.830 -11.480 1.00 12.42 H new ATOM 0 HD2 PHE A 59 -11.280 -19.533 -15.051 1.00 32.32 H new ATOM 0 HE1 PHE A 59 -9.629 -23.503 -12.670 1.00 50.12 H new ATOM 0 HE2 PHE A 59 -9.946 -21.213 -16.249 1.00 40.42 H new ATOM 0 HZ PHE A 59 -9.113 -23.199 -15.058 1.00 51.30 H new ATOM 934 N VAL A 60 -14.286 -19.120 -10.240 1.00 62.23 N ATOM 935 CA VAL A 60 -14.929 -18.264 -9.247 1.00 22.12 C ATOM 936 C VAL A 60 -14.236 -18.386 -7.900 1.00 51.22 C ATOM 937 O VAL A 60 -14.269 -19.434 -7.265 1.00 60.40 O ATOM 938 CB VAL A 60 -16.428 -18.583 -9.104 1.00 14.20 C ATOM 939 CG1 VAL A 60 -17.231 -17.726 -10.053 1.00 72.44 C ATOM 940 CG2 VAL A 60 -16.709 -20.054 -9.341 1.00 31.24 C ATOM 0 H VAL A 60 -13.901 -19.983 -9.856 1.00 62.23 H new ATOM 0 HA VAL A 60 -14.838 -17.236 -9.599 1.00 22.12 H new ATOM 0 HB VAL A 60 -16.727 -18.355 -8.081 1.00 14.20 H new ATOM 0 HG11 VAL A 60 -18.290 -17.958 -9.945 1.00 72.44 H new ATOM 0 HG12 VAL A 60 -17.065 -16.674 -9.822 1.00 72.44 H new ATOM 0 HG13 VAL A 60 -16.918 -17.926 -11.078 1.00 72.44 H new ATOM 0 HG21 VAL A 60 -17.777 -20.243 -9.232 1.00 31.24 H new ATOM 0 HG22 VAL A 60 -16.393 -20.327 -10.348 1.00 31.24 H new ATOM 0 HG23 VAL A 60 -16.159 -20.651 -8.614 1.00 31.24 H new ATOM 950 N THR A 61 -13.586 -17.312 -7.483 1.00 62.10 N ATOM 951 CA THR A 61 -12.847 -17.306 -6.237 1.00 11.21 C ATOM 952 C THR A 61 -13.691 -16.697 -5.133 1.00 53.11 C ATOM 953 O THR A 61 -14.062 -15.527 -5.204 1.00 25.11 O ATOM 954 CB THR A 61 -11.545 -16.502 -6.370 1.00 71.45 C ATOM 955 OG1 THR A 61 -10.920 -16.780 -7.636 1.00 23.23 O ATOM 956 CG2 THR A 61 -10.583 -16.835 -5.241 1.00 71.21 C ATOM 0 H THR A 61 -13.557 -16.430 -7.994 1.00 62.10 H new ATOM 0 HA THR A 61 -12.602 -18.339 -5.991 1.00 11.21 H new ATOM 0 HB THR A 61 -11.794 -15.442 -6.313 1.00 71.45 H new ATOM 0 HG1 THR A 61 -11.426 -16.344 -8.353 1.00 23.23 H new ATOM 0 HG21 THR A 61 -9.669 -16.253 -5.358 1.00 71.21 H new ATOM 0 HG22 THR A 61 -11.047 -16.594 -4.285 1.00 71.21 H new ATOM 0 HG23 THR A 61 -10.342 -17.898 -5.270 1.00 71.21 H new ATOM 964 N TYR A 62 -14.000 -17.491 -4.128 1.00 60.35 N ATOM 965 CA TYR A 62 -14.808 -17.027 -3.016 1.00 43.02 C ATOM 966 C TYR A 62 -13.972 -16.210 -2.039 1.00 51.31 C ATOM 967 O TYR A 62 -12.753 -16.096 -2.192 1.00 63.34 O ATOM 968 CB TYR A 62 -15.459 -18.211 -2.303 1.00 73.15 C ATOM 969 CG TYR A 62 -16.625 -18.812 -3.059 1.00 14.05 C ATOM 970 CD1 TYR A 62 -17.926 -18.447 -2.746 1.00 63.41 C ATOM 971 CD2 TYR A 62 -16.433 -19.746 -4.072 1.00 62.51 C ATOM 972 CE1 TYR A 62 -19.001 -18.992 -3.413 1.00 63.14 C ATOM 973 CE2 TYR A 62 -17.506 -20.295 -4.747 1.00 22.43 C ATOM 974 CZ TYR A 62 -18.789 -19.915 -4.412 1.00 3.51 C ATOM 975 OH TYR A 62 -19.863 -20.453 -5.078 1.00 51.23 O ATOM 0 H TYR A 62 -13.703 -18.464 -4.058 1.00 60.35 H new ATOM 0 HA TYR A 62 -15.593 -16.382 -3.410 1.00 43.02 H new ATOM 0 HB2 TYR A 62 -14.707 -18.983 -2.139 1.00 73.15 H new ATOM 0 HB3 TYR A 62 -15.803 -17.888 -1.320 1.00 73.15 H new ATOM 0 HD1 TYR A 62 -18.099 -17.722 -1.965 1.00 63.41 H new ATOM 0 HD2 TYR A 62 -15.429 -20.047 -4.335 1.00 62.51 H new ATOM 0 HE1 TYR A 62 -20.007 -18.696 -3.153 1.00 63.14 H new ATOM 0 HE2 TYR A 62 -17.341 -21.018 -5.533 1.00 22.43 H new ATOM 0 HH TYR A 62 -20.577 -19.785 -5.141 1.00 51.23 H new ATOM 985 N ALA A 63 -14.631 -15.635 -1.043 1.00 11.22 N ATOM 986 CA ALA A 63 -13.952 -14.817 -0.054 1.00 33.01 C ATOM 987 C ALA A 63 -13.186 -15.706 0.904 1.00 22.31 C ATOM 988 O ALA A 63 -12.062 -15.398 1.303 1.00 74.40 O ATOM 989 CB ALA A 63 -14.948 -13.950 0.700 1.00 75.11 C ATOM 0 H ALA A 63 -15.637 -15.721 -0.900 1.00 11.22 H new ATOM 0 HA ALA A 63 -13.250 -14.157 -0.563 1.00 33.01 H new ATOM 0 HB1 ALA A 63 -14.419 -13.345 1.436 1.00 75.11 H new ATOM 0 HB2 ALA A 63 -15.466 -13.297 -0.002 1.00 75.11 H new ATOM 0 HB3 ALA A 63 -15.674 -14.586 1.207 1.00 75.11 H new ATOM 995 N THR A 64 -13.791 -16.829 1.241 1.00 53.55 N ATOM 996 CA THR A 64 -13.174 -17.787 2.130 1.00 33.23 C ATOM 997 C THR A 64 -13.483 -19.206 1.666 1.00 73.13 C ATOM 998 O THR A 64 -14.463 -19.441 0.953 1.00 64.31 O ATOM 999 CB THR A 64 -13.635 -17.589 3.594 1.00 14.55 C ATOM 1000 OG1 THR A 64 -13.107 -18.626 4.430 1.00 13.44 O ATOM 1001 CG2 THR A 64 -15.150 -17.570 3.694 1.00 62.35 C ATOM 0 H THR A 64 -14.717 -17.099 0.908 1.00 53.55 H new ATOM 0 HA THR A 64 -12.097 -17.624 2.099 1.00 33.23 H new ATOM 0 HB THR A 64 -13.255 -16.626 3.934 1.00 14.55 H new ATOM 0 HG1 THR A 64 -13.406 -18.486 5.353 1.00 13.44 H new ATOM 0 HG21 THR A 64 -15.444 -17.429 4.734 1.00 62.35 H new ATOM 0 HG22 THR A 64 -15.544 -16.752 3.092 1.00 62.35 H new ATOM 0 HG23 THR A 64 -15.551 -18.515 3.328 1.00 62.35 H new ATOM 1009 N VAL A 65 -12.631 -20.137 2.067 1.00 31.14 N ATOM 1010 CA VAL A 65 -12.777 -21.543 1.715 1.00 2.44 C ATOM 1011 C VAL A 65 -14.132 -22.103 2.170 1.00 53.03 C ATOM 1012 O VAL A 65 -14.683 -23.010 1.541 1.00 23.31 O ATOM 1013 CB VAL A 65 -11.622 -22.373 2.325 1.00 13.42 C ATOM 1014 CG1 VAL A 65 -11.484 -22.097 3.816 1.00 34.02 C ATOM 1015 CG2 VAL A 65 -11.816 -23.859 2.068 1.00 2.34 C ATOM 0 H VAL A 65 -11.816 -19.939 2.648 1.00 31.14 H new ATOM 0 HA VAL A 65 -12.735 -21.618 0.628 1.00 2.44 H new ATOM 0 HB VAL A 65 -10.698 -22.067 1.834 1.00 13.42 H new ATOM 0 HG11 VAL A 65 -10.666 -22.692 4.222 1.00 34.02 H new ATOM 0 HG12 VAL A 65 -11.275 -21.039 3.972 1.00 34.02 H new ATOM 0 HG13 VAL A 65 -12.412 -22.363 4.323 1.00 34.02 H new ATOM 0 HG21 VAL A 65 -10.989 -24.415 2.509 1.00 2.34 H new ATOM 0 HG22 VAL A 65 -12.754 -24.187 2.517 1.00 2.34 H new ATOM 0 HG23 VAL A 65 -11.845 -24.042 0.994 1.00 2.34 H new ATOM 1025 N GLU A 66 -14.676 -21.535 3.241 1.00 53.10 N ATOM 1026 CA GLU A 66 -15.947 -21.991 3.800 1.00 64.32 C ATOM 1027 C GLU A 66 -17.084 -21.847 2.794 1.00 11.32 C ATOM 1028 O GLU A 66 -18.015 -22.655 2.772 1.00 52.30 O ATOM 1029 CB GLU A 66 -16.266 -21.214 5.077 1.00 23.42 C ATOM 1030 CG GLU A 66 -15.220 -21.400 6.161 1.00 62.12 C ATOM 1031 CD GLU A 66 -15.056 -22.853 6.553 1.00 45.23 C ATOM 1032 OE1 GLU A 66 -15.768 -23.310 7.469 1.00 63.53 O ATOM 1033 OE2 GLU A 66 -14.218 -23.554 5.940 1.00 41.11 O ATOM 0 H GLU A 66 -14.255 -20.753 3.743 1.00 53.10 H new ATOM 0 HA GLU A 66 -15.849 -23.050 4.039 1.00 64.32 H new ATOM 0 HB2 GLU A 66 -16.350 -20.154 4.839 1.00 23.42 H new ATOM 0 HB3 GLU A 66 -17.236 -21.533 5.457 1.00 23.42 H new ATOM 0 HG2 GLU A 66 -14.264 -21.009 5.812 1.00 62.12 H new ATOM 0 HG3 GLU A 66 -15.501 -20.818 7.039 1.00 62.12 H new ATOM 1040 N GLU A 67 -16.992 -20.831 1.950 1.00 54.33 N ATOM 1041 CA GLU A 67 -18.008 -20.587 0.940 1.00 51.52 C ATOM 1042 C GLU A 67 -17.854 -21.581 -0.202 1.00 34.14 C ATOM 1043 O GLU A 67 -18.837 -22.070 -0.756 1.00 61.11 O ATOM 1044 CB GLU A 67 -17.898 -19.162 0.416 1.00 3.23 C ATOM 1045 CG GLU A 67 -17.731 -18.133 1.514 1.00 24.10 C ATOM 1046 CD GLU A 67 -17.850 -16.717 1.002 1.00 53.31 C ATOM 1047 OE1 GLU A 67 -17.051 -16.329 0.130 1.00 72.50 O ATOM 1048 OE2 GLU A 67 -18.748 -15.988 1.471 1.00 53.11 O ATOM 0 H GLU A 67 -16.222 -20.162 1.945 1.00 54.33 H new ATOM 0 HA GLU A 67 -18.992 -20.717 1.391 1.00 51.52 H new ATOM 0 HB2 GLU A 67 -17.050 -19.097 -0.266 1.00 3.23 H new ATOM 0 HB3 GLU A 67 -18.791 -18.925 -0.162 1.00 3.23 H new ATOM 0 HG2 GLU A 67 -18.484 -18.302 2.284 1.00 24.10 H new ATOM 0 HG3 GLU A 67 -16.757 -18.265 1.986 1.00 24.10 H new ATOM 1055 N VAL A 68 -16.602 -21.876 -0.537 1.00 61.50 N ATOM 1056 CA VAL A 68 -16.285 -22.894 -1.529 1.00 42.23 C ATOM 1057 C VAL A 68 -16.906 -24.228 -1.138 1.00 14.12 C ATOM 1058 O VAL A 68 -17.533 -24.900 -1.957 1.00 13.34 O ATOM 1059 CB VAL A 68 -14.757 -23.062 -1.687 1.00 5.35 C ATOM 1060 CG1 VAL A 68 -14.420 -24.318 -2.472 1.00 65.14 C ATOM 1061 CG2 VAL A 68 -14.159 -21.846 -2.367 1.00 54.40 C ATOM 0 H VAL A 68 -15.785 -21.419 -0.131 1.00 61.50 H new ATOM 0 HA VAL A 68 -16.700 -22.568 -2.483 1.00 42.23 H new ATOM 0 HB VAL A 68 -14.327 -23.159 -0.690 1.00 5.35 H new ATOM 0 HG11 VAL A 68 -13.338 -24.409 -2.566 1.00 65.14 H new ATOM 0 HG12 VAL A 68 -14.813 -25.190 -1.949 1.00 65.14 H new ATOM 0 HG13 VAL A 68 -14.867 -24.258 -3.464 1.00 65.14 H new ATOM 0 HG21 VAL A 68 -13.082 -21.980 -2.471 1.00 54.40 H new ATOM 0 HG22 VAL A 68 -14.606 -21.724 -3.353 1.00 54.40 H new ATOM 0 HG23 VAL A 68 -14.358 -20.959 -1.766 1.00 54.40 H new ATOM 1071 N ASP A 69 -16.741 -24.590 0.130 1.00 32.42 N ATOM 1072 CA ASP A 69 -17.313 -25.821 0.665 1.00 53.13 C ATOM 1073 C ASP A 69 -18.815 -25.877 0.421 1.00 44.52 C ATOM 1074 O ASP A 69 -19.339 -26.879 -0.062 1.00 70.31 O ATOM 1075 CB ASP A 69 -17.031 -25.927 2.164 1.00 43.42 C ATOM 1076 CG ASP A 69 -17.728 -27.108 2.807 1.00 71.42 C ATOM 1077 OD1 ASP A 69 -17.185 -28.231 2.749 1.00 75.55 O ATOM 1078 OD2 ASP A 69 -18.819 -26.919 3.384 1.00 0.40 O ATOM 0 H ASP A 69 -16.212 -24.044 0.810 1.00 32.42 H new ATOM 0 HA ASP A 69 -16.847 -26.660 0.149 1.00 53.13 H new ATOM 0 HB2 ASP A 69 -15.956 -26.014 2.322 1.00 43.42 H new ATOM 0 HB3 ASP A 69 -17.352 -25.009 2.656 1.00 43.42 H new ATOM 1083 N ALA A 70 -19.502 -24.786 0.735 1.00 1.24 N ATOM 1084 CA ALA A 70 -20.948 -24.726 0.586 1.00 42.24 C ATOM 1085 C ALA A 70 -21.361 -24.926 -0.867 1.00 63.30 C ATOM 1086 O ALA A 70 -22.324 -25.640 -1.154 1.00 50.53 O ATOM 1087 CB ALA A 70 -21.476 -23.403 1.106 1.00 34.12 C ATOM 0 H ALA A 70 -19.079 -23.930 1.095 1.00 1.24 H new ATOM 0 HA ALA A 70 -21.381 -25.535 1.174 1.00 42.24 H new ATOM 0 HB1 ALA A 70 -22.559 -23.372 0.988 1.00 34.12 H new ATOM 0 HB2 ALA A 70 -21.223 -23.300 2.161 1.00 34.12 H new ATOM 0 HB3 ALA A 70 -21.026 -22.585 0.543 1.00 34.12 H new ATOM 1093 N ALA A 71 -20.620 -24.308 -1.778 1.00 63.32 N ATOM 1094 CA ALA A 71 -20.891 -24.445 -3.202 1.00 2.23 C ATOM 1095 C ALA A 71 -20.649 -25.876 -3.662 1.00 4.54 C ATOM 1096 O ALA A 71 -21.356 -26.390 -4.529 1.00 23.22 O ATOM 1097 CB ALA A 71 -20.030 -23.482 -3.999 1.00 53.31 C ATOM 0 H ALA A 71 -19.827 -23.707 -1.555 1.00 63.32 H new ATOM 0 HA ALA A 71 -21.939 -24.202 -3.375 1.00 2.23 H new ATOM 0 HB1 ALA A 71 -20.244 -23.597 -5.062 1.00 53.31 H new ATOM 0 HB2 ALA A 71 -20.249 -22.459 -3.693 1.00 53.31 H new ATOM 0 HB3 ALA A 71 -18.977 -23.698 -3.816 1.00 53.31 H new ATOM 1103 N MET A 72 -19.656 -26.524 -3.063 1.00 52.31 N ATOM 1104 CA MET A 72 -19.341 -27.906 -3.395 1.00 45.11 C ATOM 1105 C MET A 72 -20.437 -28.846 -2.907 1.00 71.52 C ATOM 1106 O MET A 72 -20.714 -29.860 -3.535 1.00 22.31 O ATOM 1107 CB MET A 72 -18.001 -28.329 -2.792 1.00 62.41 C ATOM 1108 CG MET A 72 -16.795 -27.607 -3.368 1.00 41.15 C ATOM 1109 SD MET A 72 -15.243 -28.350 -2.838 1.00 22.11 S ATOM 1110 CE MET A 72 -14.097 -27.520 -3.927 1.00 62.34 C ATOM 0 H MET A 72 -19.057 -26.114 -2.346 1.00 52.31 H new ATOM 0 HA MET A 72 -19.273 -27.970 -4.481 1.00 45.11 H new ATOM 0 HB2 MET A 72 -18.031 -28.158 -1.716 1.00 62.41 H new ATOM 0 HB3 MET A 72 -17.872 -29.401 -2.941 1.00 62.41 H new ATOM 0 HG2 MET A 72 -16.850 -27.622 -4.457 1.00 41.15 H new ATOM 0 HG3 MET A 72 -16.819 -26.561 -3.062 1.00 41.15 H new ATOM 0 HE1 MET A 72 -13.201 -28.129 -4.045 1.00 62.34 H new ATOM 0 HE2 MET A 72 -14.564 -27.369 -4.900 1.00 62.34 H new ATOM 0 HE3 MET A 72 -13.825 -26.554 -3.501 1.00 62.34 H new ATOM 1120 N ASN A 73 -21.059 -28.510 -1.783 1.00 72.11 N ATOM 1121 CA ASN A 73 -22.167 -29.309 -1.253 1.00 3.00 C ATOM 1122 C ASN A 73 -23.414 -29.141 -2.113 1.00 61.31 C ATOM 1123 O ASN A 73 -24.332 -29.961 -2.069 1.00 34.41 O ATOM 1124 CB ASN A 73 -22.497 -28.919 0.193 1.00 53.25 C ATOM 1125 CG ASN A 73 -21.506 -29.466 1.202 1.00 72.11 C ATOM 1126 OD1 ASN A 73 -21.649 -30.591 1.681 1.00 73.43 O ATOM 1127 ND2 ASN A 73 -20.508 -28.670 1.549 1.00 65.21 N ATOM 0 H ASN A 73 -20.819 -27.694 -1.220 1.00 72.11 H new ATOM 0 HA ASN A 73 -21.849 -30.352 -1.272 1.00 3.00 H new ATOM 0 HB2 ASN A 73 -22.523 -27.832 0.272 1.00 53.25 H new ATOM 0 HB3 ASN A 73 -23.495 -29.281 0.441 1.00 53.25 H new ATOM 0 HD21 ASN A 73 -19.822 -28.982 2.237 1.00 65.21 H new ATOM 0 HD22 ASN A 73 -20.424 -27.744 1.129 1.00 65.21 H new ATOM 1134 N ALA A 74 -23.424 -28.090 -2.915 1.00 3.41 N ATOM 1135 CA ALA A 74 -24.594 -27.727 -3.698 1.00 24.00 C ATOM 1136 C ALA A 74 -24.596 -28.389 -5.081 1.00 21.03 C ATOM 1137 O ALA A 74 -25.260 -27.912 -6.003 1.00 4.31 O ATOM 1138 CB ALA A 74 -24.660 -26.212 -3.830 1.00 61.31 C ATOM 0 H ALA A 74 -22.626 -27.467 -3.042 1.00 3.41 H new ATOM 0 HA ALA A 74 -25.478 -28.092 -3.175 1.00 24.00 H new ATOM 0 HB1 ALA A 74 -25.536 -25.936 -4.417 1.00 61.31 H new ATOM 0 HB2 ALA A 74 -24.730 -25.763 -2.839 1.00 61.31 H new ATOM 0 HB3 ALA A 74 -23.761 -25.851 -4.329 1.00 61.31 H new ATOM 1144 N ARG A 75 -23.868 -29.493 -5.224 1.00 23.24 N ATOM 1145 CA ARG A 75 -23.844 -30.220 -6.488 1.00 2.51 C ATOM 1146 C ARG A 75 -24.880 -31.348 -6.468 1.00 11.11 C ATOM 1147 O ARG A 75 -25.247 -31.836 -5.397 1.00 5.42 O ATOM 1148 CB ARG A 75 -22.439 -30.775 -6.789 1.00 14.54 C ATOM 1149 CG ARG A 75 -22.141 -32.150 -6.196 1.00 22.42 C ATOM 1150 CD ARG A 75 -22.114 -32.126 -4.679 1.00 55.23 C ATOM 1151 NE ARG A 75 -21.696 -33.406 -4.117 1.00 62.14 N ATOM 1152 CZ ARG A 75 -20.830 -33.524 -3.114 1.00 34.13 C ATOM 1153 NH1 ARG A 75 -20.258 -32.444 -2.593 1.00 21.34 N ATOM 1154 NH2 ARG A 75 -20.524 -34.724 -2.643 1.00 61.40 N ATOM 0 H ARG A 75 -23.292 -29.900 -4.487 1.00 23.24 H new ATOM 0 HA ARG A 75 -24.100 -29.523 -7.286 1.00 2.51 H new ATOM 0 HB2 ARG A 75 -22.311 -30.828 -7.870 1.00 14.54 H new ATOM 0 HB3 ARG A 75 -21.699 -30.068 -6.415 1.00 14.54 H new ATOM 0 HG2 ARG A 75 -22.896 -32.861 -6.533 1.00 22.42 H new ATOM 0 HG3 ARG A 75 -21.180 -32.504 -6.569 1.00 22.42 H new ATOM 0 HD2 ARG A 75 -21.435 -31.343 -4.341 1.00 55.23 H new ATOM 0 HD3 ARG A 75 -23.105 -31.872 -4.303 1.00 55.23 H new ATOM 0 HE ARG A 75 -22.090 -34.258 -4.516 1.00 62.14 H new ATOM 0 HH11 ARG A 75 -20.482 -31.520 -2.962 1.00 21.34 H new ATOM 0 HH12 ARG A 75 -19.595 -32.539 -1.824 1.00 21.34 H new ATOM 0 HH21 ARG A 75 -20.952 -35.556 -3.049 1.00 61.40 H new ATOM 0 HH22 ARG A 75 -19.860 -34.816 -1.874 1.00 61.40 H new ATOM 1168 N PRO A 76 -25.379 -31.778 -7.640 1.00 31.54 N ATOM 1169 CA PRO A 76 -25.002 -31.213 -8.941 1.00 35.23 C ATOM 1170 C PRO A 76 -25.430 -29.757 -9.082 1.00 34.02 C ATOM 1171 O PRO A 76 -26.606 -29.419 -8.907 1.00 12.31 O ATOM 1172 CB PRO A 76 -25.740 -32.090 -9.960 1.00 15.05 C ATOM 1173 CG PRO A 76 -26.139 -33.313 -9.208 1.00 51.44 C ATOM 1174 CD PRO A 76 -26.350 -32.871 -7.791 1.00 31.13 C ATOM 0 HA PRO A 76 -23.921 -31.211 -9.078 1.00 35.23 H new ATOM 0 HB2 PRO A 76 -26.611 -31.575 -10.365 1.00 15.05 H new ATOM 0 HB3 PRO A 76 -25.097 -32.339 -10.804 1.00 15.05 H new ATOM 0 HG2 PRO A 76 -27.049 -33.747 -9.622 1.00 51.44 H new ATOM 0 HG3 PRO A 76 -25.365 -34.078 -9.268 1.00 51.44 H new ATOM 0 HD2 PRO A 76 -27.371 -32.530 -7.622 1.00 31.13 H new ATOM 0 HD3 PRO A 76 -26.162 -33.679 -7.084 1.00 31.13 H new ATOM 1182 N HIS A 77 -24.463 -28.909 -9.395 1.00 10.12 N ATOM 1183 CA HIS A 77 -24.679 -27.471 -9.453 1.00 32.44 C ATOM 1184 C HIS A 77 -25.527 -27.107 -10.669 1.00 23.24 C ATOM 1185 O HIS A 77 -25.636 -27.891 -11.615 1.00 62.42 O ATOM 1186 CB HIS A 77 -23.332 -26.750 -9.508 1.00 70.51 C ATOM 1187 CG HIS A 77 -23.370 -25.361 -8.955 1.00 60.33 C ATOM 1188 ND1 HIS A 77 -23.877 -24.315 -9.683 1.00 55.03 N ATOM 1189 CD2 HIS A 77 -22.960 -24.906 -7.747 1.00 2.31 C ATOM 1190 CE1 HIS A 77 -23.769 -23.251 -8.911 1.00 22.24 C ATOM 1191 NE2 HIS A 77 -23.218 -23.560 -7.727 1.00 52.53 N ATOM 0 H HIS A 77 -23.509 -29.196 -9.615 1.00 10.12 H new ATOM 0 HA HIS A 77 -25.215 -27.157 -8.557 1.00 32.44 H new ATOM 0 HB2 HIS A 77 -22.596 -27.332 -8.954 1.00 70.51 H new ATOM 0 HB3 HIS A 77 -22.993 -26.710 -10.543 1.00 70.51 H new ATOM 0 HD2 HIS A 77 -22.516 -25.490 -6.954 1.00 2.31 H new ATOM 0 HE1 HIS A 77 -24.084 -22.258 -9.195 1.00 22.24 H new ATOM 0 HE2 HIS A 77 -23.028 -22.916 -6.959 1.00 52.53 H new ATOM 1199 N LYS A 78 -26.111 -25.919 -10.652 1.00 74.41 N ATOM 1200 CA LYS A 78 -27.018 -25.502 -11.706 1.00 23.44 C ATOM 1201 C LYS A 78 -26.838 -24.018 -12.023 1.00 41.03 C ATOM 1202 O LYS A 78 -27.173 -23.149 -11.215 1.00 5.22 O ATOM 1203 CB LYS A 78 -28.469 -25.792 -11.297 1.00 73.12 C ATOM 1204 CG LYS A 78 -29.494 -25.465 -12.374 1.00 72.53 C ATOM 1205 CD LYS A 78 -29.287 -26.305 -13.626 1.00 41.42 C ATOM 1206 CE LYS A 78 -29.661 -27.763 -13.406 1.00 35.32 C ATOM 1207 NZ LYS A 78 -31.117 -27.938 -13.159 1.00 70.54 N ATOM 0 H LYS A 78 -25.971 -25.226 -9.917 1.00 74.41 H new ATOM 0 HA LYS A 78 -26.786 -26.070 -12.607 1.00 23.44 H new ATOM 0 HB2 LYS A 78 -28.558 -26.846 -11.034 1.00 73.12 H new ATOM 0 HB3 LYS A 78 -28.704 -25.219 -10.400 1.00 73.12 H new ATOM 0 HG2 LYS A 78 -30.498 -25.635 -11.984 1.00 72.53 H new ATOM 0 HG3 LYS A 78 -29.427 -24.408 -12.631 1.00 72.53 H new ATOM 0 HD2 LYS A 78 -29.887 -25.896 -14.439 1.00 41.42 H new ATOM 0 HD3 LYS A 78 -28.244 -26.242 -13.936 1.00 41.42 H new ATOM 0 HE2 LYS A 78 -29.370 -28.347 -14.279 1.00 35.32 H new ATOM 0 HE3 LYS A 78 -29.100 -28.156 -12.558 1.00 35.32 H new ATOM 0 HZ1 LYS A 78 -31.366 -28.944 -13.250 1.00 70.54 H new ATOM 0 HZ2 LYS A 78 -31.348 -27.610 -12.200 1.00 70.54 H new ATOM 0 HZ3 LYS A 78 -31.656 -27.383 -13.854 1.00 70.54 H new ATOM 1221 N VAL A 79 -26.295 -23.744 -13.201 1.00 0.34 N ATOM 1222 CA VAL A 79 -26.110 -22.380 -13.682 1.00 13.42 C ATOM 1223 C VAL A 79 -26.494 -22.294 -15.158 1.00 50.24 C ATOM 1224 O VAL A 79 -26.055 -23.114 -15.963 1.00 43.25 O ATOM 1225 CB VAL A 79 -24.651 -21.889 -13.472 1.00 53.52 C ATOM 1226 CG1 VAL A 79 -23.653 -22.968 -13.856 1.00 73.44 C ATOM 1227 CG2 VAL A 79 -24.379 -20.608 -14.256 1.00 30.24 C ATOM 0 H VAL A 79 -25.970 -24.460 -13.851 1.00 0.34 H new ATOM 0 HA VAL A 79 -26.761 -21.727 -13.101 1.00 13.42 H new ATOM 0 HB VAL A 79 -24.529 -21.669 -12.411 1.00 53.52 H new ATOM 0 HG11 VAL A 79 -22.640 -22.599 -13.700 1.00 73.44 H new ATOM 0 HG12 VAL A 79 -23.817 -23.851 -13.239 1.00 73.44 H new ATOM 0 HG13 VAL A 79 -23.786 -23.229 -14.906 1.00 73.44 H new ATOM 0 HG21 VAL A 79 -23.350 -20.290 -14.088 1.00 30.24 H new ATOM 0 HG22 VAL A 79 -24.533 -20.792 -15.319 1.00 30.24 H new ATOM 0 HG23 VAL A 79 -25.060 -19.825 -13.921 1.00 30.24 H new ATOM 1237 N ASP A 80 -27.348 -21.323 -15.490 1.00 43.33 N ATOM 1238 CA ASP A 80 -27.845 -21.138 -16.862 1.00 14.01 C ATOM 1239 C ASP A 80 -28.670 -22.355 -17.296 1.00 74.53 C ATOM 1240 O ASP A 80 -28.854 -22.619 -18.484 1.00 12.03 O ATOM 1241 CB ASP A 80 -26.679 -20.892 -17.839 1.00 2.43 C ATOM 1242 CG ASP A 80 -27.133 -20.398 -19.204 1.00 45.41 C ATOM 1243 OD1 ASP A 80 -27.081 -21.181 -20.174 1.00 10.41 O ATOM 1244 OD2 ASP A 80 -27.532 -19.212 -19.309 1.00 0.34 O ATOM 0 H ASP A 80 -27.715 -20.645 -14.822 1.00 43.33 H new ATOM 0 HA ASP A 80 -28.489 -20.259 -16.880 1.00 14.01 H new ATOM 0 HB2 ASP A 80 -25.997 -20.161 -17.404 1.00 2.43 H new ATOM 0 HB3 ASP A 80 -26.117 -21.818 -17.964 1.00 2.43 H new ATOM 1249 N GLY A 81 -29.188 -23.085 -16.311 1.00 2.42 N ATOM 1250 CA GLY A 81 -29.931 -24.299 -16.596 1.00 60.32 C ATOM 1251 C GLY A 81 -29.018 -25.469 -16.907 1.00 22.13 C ATOM 1252 O GLY A 81 -29.477 -26.537 -17.311 1.00 73.22 O ATOM 0 H GLY A 81 -29.106 -22.856 -15.320 1.00 2.42 H new ATOM 0 HA2 GLY A 81 -30.559 -24.548 -15.741 1.00 60.32 H new ATOM 0 HA3 GLY A 81 -30.597 -24.125 -17.441 1.00 60.32 H new ATOM 1256 N ARG A 82 -27.726 -25.268 -16.702 1.00 72.45 N ATOM 1257 CA ARG A 82 -26.727 -26.281 -17.000 1.00 32.14 C ATOM 1258 C ARG A 82 -26.110 -26.826 -15.714 1.00 33.25 C ATOM 1259 O ARG A 82 -25.833 -26.068 -14.781 1.00 24.51 O ATOM 1260 CB ARG A 82 -25.641 -25.673 -17.891 1.00 32.13 C ATOM 1261 CG ARG A 82 -24.503 -26.617 -18.231 1.00 55.42 C ATOM 1262 CD ARG A 82 -24.981 -27.819 -19.026 1.00 1.21 C ATOM 1263 NE ARG A 82 -23.886 -28.737 -19.332 1.00 61.20 N ATOM 1264 CZ ARG A 82 -23.872 -29.554 -20.384 1.00 14.44 C ATOM 1265 NH1 ARG A 82 -24.896 -29.571 -21.225 1.00 5.53 N ATOM 1266 NH2 ARG A 82 -22.837 -30.358 -20.594 1.00 50.12 N ATOM 0 H ARG A 82 -27.342 -24.401 -16.326 1.00 72.45 H new ATOM 0 HA ARG A 82 -27.206 -27.109 -17.522 1.00 32.14 H new ATOM 0 HB2 ARG A 82 -26.100 -25.329 -18.818 1.00 32.13 H new ATOM 0 HB3 ARG A 82 -25.231 -24.794 -17.393 1.00 32.13 H new ATOM 0 HG2 ARG A 82 -23.746 -26.081 -18.804 1.00 55.42 H new ATOM 0 HG3 ARG A 82 -24.026 -26.957 -17.311 1.00 55.42 H new ATOM 0 HD2 ARG A 82 -25.750 -28.346 -18.461 1.00 1.21 H new ATOM 0 HD3 ARG A 82 -25.442 -27.481 -19.954 1.00 1.21 H new ATOM 0 HE ARG A 82 -23.084 -28.753 -18.702 1.00 61.20 H new ATOM 0 HH11 ARG A 82 -25.696 -28.958 -21.067 1.00 5.53 H new ATOM 0 HH12 ARG A 82 -24.884 -30.197 -22.030 1.00 5.53 H new ATOM 0 HH21 ARG A 82 -22.047 -30.352 -19.948 1.00 50.12 H new ATOM 0 HH22 ARG A 82 -22.831 -30.982 -21.401 1.00 50.12 H new ATOM 1280 N VAL A 83 -25.919 -28.137 -15.666 1.00 70.34 N ATOM 1281 CA VAL A 83 -25.259 -28.775 -14.536 1.00 32.04 C ATOM 1282 C VAL A 83 -23.747 -28.745 -14.723 1.00 71.41 C ATOM 1283 O VAL A 83 -23.226 -29.231 -15.729 1.00 11.11 O ATOM 1284 CB VAL A 83 -25.726 -30.235 -14.356 1.00 14.41 C ATOM 1285 CG1 VAL A 83 -25.002 -30.896 -13.193 1.00 34.42 C ATOM 1286 CG2 VAL A 83 -27.232 -30.291 -14.147 1.00 52.44 C ATOM 0 H VAL A 83 -26.213 -28.782 -16.400 1.00 70.34 H new ATOM 0 HA VAL A 83 -25.530 -28.216 -13.640 1.00 32.04 H new ATOM 0 HB VAL A 83 -25.481 -30.784 -15.265 1.00 14.41 H new ATOM 0 HG11 VAL A 83 -25.348 -31.924 -13.086 1.00 34.42 H new ATOM 0 HG12 VAL A 83 -23.929 -30.892 -13.383 1.00 34.42 H new ATOM 0 HG13 VAL A 83 -25.210 -30.346 -12.275 1.00 34.42 H new ATOM 0 HG21 VAL A 83 -27.544 -31.328 -14.022 1.00 52.44 H new ATOM 0 HG22 VAL A 83 -27.497 -29.722 -13.256 1.00 52.44 H new ATOM 0 HG23 VAL A 83 -27.736 -29.863 -15.014 1.00 52.44 H new ATOM 1296 N VAL A 84 -23.052 -28.164 -13.755 1.00 52.11 N ATOM 1297 CA VAL A 84 -21.606 -28.006 -13.840 1.00 1.44 C ATOM 1298 C VAL A 84 -20.905 -28.758 -12.719 1.00 70.32 C ATOM 1299 O VAL A 84 -21.543 -29.216 -11.770 1.00 75.45 O ATOM 1300 CB VAL A 84 -21.198 -26.522 -13.775 1.00 42.12 C ATOM 1301 CG1 VAL A 84 -21.859 -25.745 -14.895 1.00 23.51 C ATOM 1302 CG2 VAL A 84 -21.549 -25.917 -12.423 1.00 3.22 C ATOM 0 H VAL A 84 -23.467 -27.793 -12.900 1.00 52.11 H new ATOM 0 HA VAL A 84 -21.300 -28.420 -14.801 1.00 1.44 H new ATOM 0 HB VAL A 84 -20.117 -26.460 -13.899 1.00 42.12 H new ATOM 0 HG11 VAL A 84 -21.562 -24.698 -14.836 1.00 23.51 H new ATOM 0 HG12 VAL A 84 -21.550 -26.157 -15.856 1.00 23.51 H new ATOM 0 HG13 VAL A 84 -22.942 -25.820 -14.800 1.00 23.51 H new ATOM 0 HG21 VAL A 84 -21.250 -24.869 -12.405 1.00 3.22 H new ATOM 0 HG22 VAL A 84 -22.624 -25.991 -12.260 1.00 3.22 H new ATOM 0 HG23 VAL A 84 -21.024 -26.458 -11.635 1.00 3.22 H new ATOM 1312 N GLU A 85 -19.591 -28.872 -12.832 1.00 14.33 N ATOM 1313 CA GLU A 85 -18.785 -29.502 -11.798 1.00 3.43 C ATOM 1314 C GLU A 85 -17.884 -28.472 -11.146 1.00 43.42 C ATOM 1315 O GLU A 85 -16.905 -28.034 -11.747 1.00 52.13 O ATOM 1316 CB GLU A 85 -17.924 -30.634 -12.360 1.00 64.13 C ATOM 1317 CG GLU A 85 -18.706 -31.847 -12.824 1.00 11.44 C ATOM 1318 CD GLU A 85 -17.806 -33.040 -13.053 1.00 0.13 C ATOM 1319 OE1 GLU A 85 -17.372 -33.258 -14.204 1.00 34.43 O ATOM 1320 OE2 GLU A 85 -17.511 -33.760 -12.076 1.00 31.03 O ATOM 0 H GLU A 85 -19.058 -28.535 -13.633 1.00 14.33 H new ATOM 0 HA GLU A 85 -19.470 -29.925 -11.062 1.00 3.43 H new ATOM 0 HB2 GLU A 85 -17.343 -30.250 -13.198 1.00 64.13 H new ATOM 0 HB3 GLU A 85 -17.213 -30.947 -11.595 1.00 64.13 H new ATOM 0 HG2 GLU A 85 -19.462 -32.099 -12.080 1.00 11.44 H new ATOM 0 HG3 GLU A 85 -19.235 -31.608 -13.747 1.00 11.44 H new ATOM 1327 N PRO A 86 -18.215 -28.052 -9.922 1.00 50.24 N ATOM 1328 CA PRO A 86 -17.408 -27.119 -9.166 1.00 71.51 C ATOM 1329 C PRO A 86 -16.365 -27.833 -8.308 1.00 12.11 C ATOM 1330 O PRO A 86 -16.694 -28.472 -7.304 1.00 75.52 O ATOM 1331 CB PRO A 86 -18.440 -26.391 -8.304 1.00 21.41 C ATOM 1332 CG PRO A 86 -19.644 -27.288 -8.235 1.00 61.11 C ATOM 1333 CD PRO A 86 -19.412 -28.447 -9.176 1.00 24.22 C ATOM 0 HA PRO A 86 -16.829 -26.449 -9.801 1.00 71.51 H new ATOM 0 HB2 PRO A 86 -18.044 -26.195 -7.307 1.00 21.41 H new ATOM 0 HB3 PRO A 86 -18.699 -25.426 -8.740 1.00 21.41 H new ATOM 0 HG2 PRO A 86 -19.795 -27.647 -7.217 1.00 61.11 H new ATOM 0 HG3 PRO A 86 -20.544 -26.742 -8.517 1.00 61.11 H new ATOM 0 HD2 PRO A 86 -19.256 -29.379 -8.633 1.00 24.22 H new ATOM 0 HD3 PRO A 86 -20.264 -28.602 -9.838 1.00 24.22 H new ATOM 1341 N LYS A 87 -15.112 -27.744 -8.726 1.00 72.12 N ATOM 1342 CA LYS A 87 -14.017 -28.411 -8.032 1.00 64.50 C ATOM 1343 C LYS A 87 -12.961 -27.399 -7.615 1.00 33.53 C ATOM 1344 O LYS A 87 -12.930 -26.288 -8.124 1.00 32.11 O ATOM 1345 CB LYS A 87 -13.399 -29.483 -8.937 1.00 50.51 C ATOM 1346 CG LYS A 87 -14.397 -30.537 -9.398 1.00 1.43 C ATOM 1347 CD LYS A 87 -13.758 -31.573 -10.313 1.00 65.34 C ATOM 1348 CE LYS A 87 -13.297 -30.965 -11.629 1.00 3.42 C ATOM 1349 NZ LYS A 87 -12.741 -31.994 -12.548 1.00 1.12 N ATOM 0 H LYS A 87 -14.825 -27.213 -9.548 1.00 72.12 H new ATOM 0 HA LYS A 87 -14.409 -28.891 -7.135 1.00 64.50 H new ATOM 0 HB2 LYS A 87 -12.962 -29.001 -9.811 1.00 50.51 H new ATOM 0 HB3 LYS A 87 -12.585 -29.973 -8.403 1.00 50.51 H new ATOM 0 HG2 LYS A 87 -14.823 -31.037 -8.528 1.00 1.43 H new ATOM 0 HG3 LYS A 87 -15.220 -30.051 -9.921 1.00 1.43 H new ATOM 0 HD2 LYS A 87 -12.907 -32.028 -9.806 1.00 65.34 H new ATOM 0 HD3 LYS A 87 -14.474 -32.370 -10.513 1.00 65.34 H new ATOM 0 HE2 LYS A 87 -14.136 -30.462 -12.111 1.00 3.42 H new ATOM 0 HE3 LYS A 87 -12.540 -30.205 -11.433 1.00 3.42 H new ATOM 0 HZ1 LYS A 87 -12.438 -31.541 -13.434 1.00 1.12 H new ATOM 0 HZ2 LYS A 87 -11.925 -32.456 -12.099 1.00 1.12 H new ATOM 0 HZ3 LYS A 87 -13.471 -32.705 -12.755 1.00 1.12 H new ATOM 1363 N ARG A 88 -12.113 -27.786 -6.678 1.00 25.11 N ATOM 1364 CA ARG A 88 -11.058 -26.913 -6.182 1.00 23.20 C ATOM 1365 C ARG A 88 -10.101 -26.542 -7.304 1.00 20.13 C ATOM 1366 O ARG A 88 -9.783 -27.374 -8.156 1.00 45.22 O ATOM 1367 CB ARG A 88 -10.279 -27.617 -5.076 1.00 63.22 C ATOM 1368 CG ARG A 88 -9.826 -26.698 -3.962 1.00 55.32 C ATOM 1369 CD ARG A 88 -10.998 -26.284 -3.089 1.00 3.34 C ATOM 1370 NE ARG A 88 -10.547 -25.709 -1.826 1.00 12.35 N ATOM 1371 CZ ARG A 88 -10.361 -26.422 -0.713 1.00 21.30 C ATOM 1372 NH1 ARG A 88 -10.616 -27.726 -0.699 1.00 20.44 N ATOM 1373 NH2 ARG A 88 -9.917 -25.836 0.389 1.00 31.33 N ATOM 0 H ARG A 88 -12.134 -28.707 -6.241 1.00 25.11 H new ATOM 0 HA ARG A 88 -11.519 -26.006 -5.790 1.00 23.20 H new ATOM 0 HB2 ARG A 88 -10.901 -28.405 -4.652 1.00 63.22 H new ATOM 0 HB3 ARG A 88 -9.405 -28.101 -5.512 1.00 63.22 H new ATOM 0 HG2 ARG A 88 -9.074 -27.201 -3.354 1.00 55.32 H new ATOM 0 HG3 ARG A 88 -9.353 -25.812 -4.386 1.00 55.32 H new ATOM 0 HD2 ARG A 88 -11.611 -25.558 -3.622 1.00 3.34 H new ATOM 0 HD3 ARG A 88 -11.629 -27.150 -2.891 1.00 3.34 H new ATOM 0 HE ARG A 88 -10.364 -24.706 -1.792 1.00 12.35 H new ATOM 0 HH11 ARG A 88 -10.956 -28.188 -1.542 1.00 20.44 H new ATOM 0 HH12 ARG A 88 -10.472 -28.265 0.155 1.00 20.44 H new ATOM 0 HH21 ARG A 88 -9.716 -24.836 0.389 1.00 31.33 H new ATOM 0 HH22 ARG A 88 -9.776 -26.385 1.237 1.00 31.33 H new ATOM 1387 N ALA A 89 -9.641 -25.303 -7.303 1.00 65.24 N ATOM 1388 CA ALA A 89 -8.712 -24.850 -8.318 1.00 31.33 C ATOM 1389 C ALA A 89 -7.291 -25.309 -8.018 1.00 50.01 C ATOM 1390 O ALA A 89 -6.905 -25.494 -6.860 1.00 41.02 O ATOM 1391 CB ALA A 89 -8.759 -23.339 -8.448 1.00 52.40 C ATOM 0 H ALA A 89 -9.896 -24.597 -6.613 1.00 65.24 H new ATOM 0 HA ALA A 89 -9.016 -25.295 -9.265 1.00 31.33 H new ATOM 0 HB1 ALA A 89 -8.054 -23.018 -9.215 1.00 52.40 H new ATOM 0 HB2 ALA A 89 -9.766 -23.029 -8.727 1.00 52.40 H new ATOM 0 HB3 ALA A 89 -8.490 -22.883 -7.495 1.00 52.40 H new ATOM 1397 N VAL A 90 -6.535 -25.513 -9.077 1.00 43.44 N ATOM 1398 CA VAL A 90 -5.124 -25.831 -8.979 1.00 20.12 C ATOM 1399 C VAL A 90 -4.323 -24.608 -9.411 1.00 30.14 C ATOM 1400 O VAL A 90 -4.849 -23.756 -10.123 1.00 30.11 O ATOM 1401 CB VAL A 90 -4.772 -27.055 -9.863 1.00 4.53 C ATOM 1402 CG1 VAL A 90 -5.014 -26.753 -11.336 1.00 21.22 C ATOM 1403 CG2 VAL A 90 -3.339 -27.516 -9.636 1.00 41.04 C ATOM 0 H VAL A 90 -6.883 -25.463 -10.035 1.00 43.44 H new ATOM 0 HA VAL A 90 -4.877 -26.090 -7.949 1.00 20.12 H new ATOM 0 HB VAL A 90 -5.433 -27.870 -9.568 1.00 4.53 H new ATOM 0 HG11 VAL A 90 -4.759 -27.628 -11.934 1.00 21.22 H new ATOM 0 HG12 VAL A 90 -6.064 -26.503 -11.488 1.00 21.22 H new ATOM 0 HG13 VAL A 90 -4.392 -25.911 -11.642 1.00 21.22 H new ATOM 0 HG21 VAL A 90 -3.128 -28.375 -10.272 1.00 41.04 H new ATOM 0 HG22 VAL A 90 -2.653 -26.706 -9.882 1.00 41.04 H new ATOM 0 HG23 VAL A 90 -3.209 -27.798 -8.591 1.00 41.04 H new