USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 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 44 CYS SG : rot 118:sc= -2.71! USER MOD Set 1.2: A 51 THR OG1 : rot -106:sc= -0.762! USER MOD Set 1.3: A 69 MET CE :methyl 133:sc= -2.79 (180deg=-3.83!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.464 K(o=-0.46,f=-2.3) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 0.495 (180deg=0.242) USER MOD Single : A 21 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.31) USER MOD Single : A 22 MET CE :methyl -147:sc= -0.0881 (180deg=-0.957) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.0547 X(o=-0.055,f=-0.02) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 136:sc= -2.14! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 161:sc= -0.0359 (180deg=-0.649) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 1.32 (180deg=1.32) USER MOD Single : A 74 GLN : amide:sc= -0.64! K(o=-0.64!,f=-0.036) USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= 0.661 (180deg=-0.553!) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -54.046 21.257 -4.020 1.00 0.00 N ATOM 122 CA PRO A 9 -54.730 21.235 -2.712 1.00 0.00 C ATOM 123 C PRO A 9 -53.712 21.339 -1.564 1.00 0.00 C ATOM 124 O PRO A 9 -52.596 20.827 -1.648 1.00 0.00 O ATOM 125 CB PRO A 9 -55.454 19.886 -2.702 1.00 0.00 C ATOM 126 CG PRO A 9 -54.712 18.987 -3.718 1.00 0.00 C ATOM 127 CD PRO A 9 -53.960 19.930 -4.675 1.00 0.00 C ATOM 0 HA PRO A 9 -55.414 22.072 -2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -55.437 19.443 -1.706 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -56.501 20.005 -2.980 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -54.018 18.318 -3.209 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -55.415 18.360 -4.266 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -52.924 19.618 -4.809 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -54.419 19.943 -5.663 1.00 0.00 H new ATOM 135 N ILE A 10 -54.086 22.006 -0.500 1.00 0.00 N ATOM 136 CA ILE A 10 -53.184 22.186 0.685 1.00 0.00 C ATOM 137 C ILE A 10 -52.024 23.123 0.330 1.00 0.00 C ATOM 138 O ILE A 10 -51.857 24.178 0.935 1.00 0.00 O ATOM 139 CB ILE A 10 -52.625 20.833 1.134 1.00 0.00 C ATOM 140 CG1 ILE A 10 -53.767 19.899 1.531 1.00 0.00 C ATOM 141 CG2 ILE A 10 -51.701 21.032 2.336 1.00 0.00 C ATOM 142 CD1 ILE A 10 -53.600 18.572 0.795 1.00 0.00 C ATOM 0 H ILE A 10 -55.001 22.445 -0.399 1.00 0.00 H new ATOM 0 HA ILE A 10 -53.764 22.624 1.497 1.00 0.00 H new ATOM 0 HB ILE A 10 -52.067 20.391 0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -53.763 19.735 2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -54.727 20.350 1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -51.304 20.068 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -50.877 21.689 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -52.262 21.481 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -54.411 17.898 1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -53.625 18.747 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -52.645 18.122 1.068 1.00 0.00 H new ATOM 154 N SER A 11 -51.225 22.755 -0.634 1.00 0.00 N ATOM 155 CA SER A 11 -50.061 23.615 -1.031 1.00 0.00 C ATOM 156 C SER A 11 -50.560 24.962 -1.567 1.00 0.00 C ATOM 157 O SER A 11 -50.486 25.977 -0.877 1.00 0.00 O ATOM 158 CB SER A 11 -49.229 22.898 -2.098 1.00 0.00 C ATOM 159 OG SER A 11 -47.948 22.579 -1.565 1.00 0.00 O ATOM 0 H SER A 11 -51.324 21.893 -1.169 1.00 0.00 H new ATOM 0 HA SER A 11 -49.437 23.797 -0.156 1.00 0.00 H new ATOM 0 HB2 SER A 11 -49.737 21.989 -2.421 1.00 0.00 H new ATOM 0 HB3 SER A 11 -49.121 23.533 -2.978 1.00 0.00 H new ATOM 0 HG SER A 11 -47.415 22.119 -2.247 1.00 0.00 H new ATOM 165 N GLN A 12 -51.085 24.999 -2.771 1.00 0.00 N ATOM 166 CA GLN A 12 -51.597 26.295 -3.324 1.00 0.00 C ATOM 167 C GLN A 12 -52.536 26.955 -2.305 1.00 0.00 C ATOM 168 O GLN A 12 -52.555 28.175 -2.154 1.00 0.00 O ATOM 169 CB GLN A 12 -52.347 26.038 -4.635 1.00 0.00 C ATOM 170 CG GLN A 12 -51.568 26.667 -5.796 1.00 0.00 C ATOM 171 CD GLN A 12 -52.351 26.492 -7.096 1.00 0.00 C ATOM 172 OE1 GLN A 12 -52.600 25.374 -7.535 1.00 0.00 O ATOM 173 NE2 GLN A 12 -52.759 27.542 -7.740 1.00 0.00 N ATOM 0 H GLN A 12 -51.180 24.194 -3.390 1.00 0.00 H new ATOM 0 HA GLN A 12 -50.757 26.961 -3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -52.462 24.966 -4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -53.350 26.462 -4.583 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -51.399 27.726 -5.602 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -50.588 26.199 -5.885 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -52.554 28.474 -7.379 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -53.285 27.436 -8.608 1.00 0.00 H new ATOM 182 N VAL A 13 -53.301 26.169 -1.588 1.00 0.00 N ATOM 183 CA VAL A 13 -54.221 26.743 -0.558 1.00 0.00 C ATOM 184 C VAL A 13 -53.385 27.458 0.509 1.00 0.00 C ATOM 185 O VAL A 13 -53.673 28.591 0.888 1.00 0.00 O ATOM 186 CB VAL A 13 -55.032 25.613 0.087 1.00 0.00 C ATOM 187 CG1 VAL A 13 -55.910 26.175 1.206 1.00 0.00 C ATOM 188 CG2 VAL A 13 -55.923 24.964 -0.970 1.00 0.00 C ATOM 0 H VAL A 13 -53.328 25.153 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 13 -54.906 27.452 -1.022 1.00 0.00 H new ATOM 0 HB VAL A 13 -54.348 24.873 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -56.483 25.366 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -55.280 26.642 1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -56.593 26.918 0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -56.501 24.160 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -56.602 25.711 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -55.303 24.557 -1.769 1.00 0.00 H new ATOM 198 N HIS A 14 -52.338 26.831 0.974 1.00 0.00 N ATOM 199 CA HIS A 14 -51.459 27.485 1.985 1.00 0.00 C ATOM 200 C HIS A 14 -50.785 28.698 1.319 1.00 0.00 C ATOM 201 O HIS A 14 -50.647 29.761 1.921 1.00 0.00 O ATOM 202 CB HIS A 14 -50.397 26.480 2.455 1.00 0.00 C ATOM 203 CG HIS A 14 -50.874 25.773 3.694 1.00 0.00 C ATOM 204 ND1 HIS A 14 -50.397 26.095 4.952 1.00 0.00 N ATOM 205 CD2 HIS A 14 -51.780 24.757 3.885 1.00 0.00 C ATOM 206 CE1 HIS A 14 -51.012 25.290 5.839 1.00 0.00 C ATOM 207 NE2 HIS A 14 -51.865 24.455 5.241 1.00 0.00 N ATOM 0 H HIS A 14 -52.053 25.892 0.696 1.00 0.00 H new ATOM 0 HA HIS A 14 -52.038 27.812 2.849 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -50.196 25.755 1.667 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -49.459 26.997 2.659 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -52.340 24.268 3.102 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -50.837 25.317 6.904 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -52.453 23.748 5.683 1.00 0.00 H new ATOM 215 N GLU A 15 -50.385 28.547 0.077 1.00 0.00 N ATOM 216 CA GLU A 15 -49.729 29.668 -0.672 1.00 0.00 C ATOM 217 C GLU A 15 -50.683 30.872 -0.793 1.00 0.00 C ATOM 218 O GLU A 15 -50.327 31.999 -0.457 1.00 0.00 O ATOM 219 CB GLU A 15 -49.359 29.176 -2.078 1.00 0.00 C ATOM 220 CG GLU A 15 -47.978 28.500 -2.050 1.00 0.00 C ATOM 221 CD GLU A 15 -48.060 27.093 -2.659 1.00 0.00 C ATOM 222 OE1 GLU A 15 -48.513 26.978 -3.785 1.00 0.00 O ATOM 223 OE2 GLU A 15 -47.652 26.157 -1.990 1.00 0.00 O ATOM 0 H GLU A 15 -50.487 27.683 -0.456 1.00 0.00 H new ATOM 0 HA GLU A 15 -48.837 29.982 -0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -50.111 28.472 -2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -49.349 30.014 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -47.259 29.103 -2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -47.616 28.439 -1.024 1.00 0.00 H new ATOM 230 N ILE A 16 -51.887 30.665 -1.273 1.00 0.00 N ATOM 231 CA ILE A 16 -52.842 31.807 -1.415 1.00 0.00 C ATOM 232 C ILE A 16 -53.417 32.183 -0.042 1.00 0.00 C ATOM 233 O ILE A 16 -53.692 33.352 0.229 1.00 0.00 O ATOM 234 CB ILE A 16 -53.971 31.419 -2.380 1.00 0.00 C ATOM 235 CG1 ILE A 16 -54.687 30.155 -1.887 1.00 0.00 C ATOM 236 CG2 ILE A 16 -53.387 31.151 -3.767 1.00 0.00 C ATOM 237 CD1 ILE A 16 -56.115 30.507 -1.467 1.00 0.00 C ATOM 0 H ILE A 16 -52.247 29.758 -1.571 1.00 0.00 H new ATOM 0 HA ILE A 16 -52.314 32.671 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 16 -54.687 32.240 -2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -54.704 29.403 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -54.146 29.722 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -54.189 30.875 -4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -52.890 32.050 -4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -52.665 30.336 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -56.623 29.609 -1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -56.087 31.244 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -56.654 30.920 -2.320 1.00 0.00 H new ATOM 249 N GLY A 17 -53.580 31.229 0.840 1.00 0.00 N ATOM 250 CA GLY A 17 -54.100 31.548 2.200 1.00 0.00 C ATOM 251 C GLY A 17 -53.072 32.440 2.890 1.00 0.00 C ATOM 252 O GLY A 17 -53.385 33.526 3.353 1.00 0.00 O ATOM 0 H GLY A 17 -53.375 30.244 0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -55.063 32.055 2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -54.260 30.634 2.773 1.00 0.00 H new ATOM 256 N ILE A 18 -51.835 32.022 2.918 1.00 0.00 N ATOM 257 CA ILE A 18 -50.766 32.872 3.526 1.00 0.00 C ATOM 258 C ILE A 18 -50.127 33.691 2.398 1.00 0.00 C ATOM 259 O ILE A 18 -48.914 33.686 2.197 1.00 0.00 O ATOM 260 CB ILE A 18 -49.699 31.984 4.187 1.00 0.00 C ATOM 261 CG1 ILE A 18 -50.296 31.256 5.389 1.00 0.00 C ATOM 262 CG2 ILE A 18 -48.529 32.849 4.665 1.00 0.00 C ATOM 263 CD1 ILE A 18 -49.603 29.903 5.554 1.00 0.00 C ATOM 0 H ILE A 18 -51.516 31.127 2.546 1.00 0.00 H new ATOM 0 HA ILE A 18 -51.189 33.527 4.288 1.00 0.00 H new ATOM 0 HB ILE A 18 -49.348 31.256 3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -50.170 31.855 6.291 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -51.367 31.114 5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -47.775 32.215 5.133 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -48.089 33.368 3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -48.889 33.580 5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -50.026 29.380 6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -49.752 29.306 4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -48.536 30.058 5.714 1.00 0.00 H new ATOM 275 N LYS A 19 -50.913 34.372 1.617 1.00 0.00 N ATOM 276 CA LYS A 19 -50.315 35.127 0.500 1.00 0.00 C ATOM 277 C LYS A 19 -49.859 36.525 0.938 1.00 0.00 C ATOM 278 O LYS A 19 -50.641 37.474 1.059 1.00 0.00 O ATOM 279 CB LYS A 19 -51.305 35.209 -0.655 1.00 0.00 C ATOM 280 CG LYS A 19 -52.549 36.014 -0.256 1.00 0.00 C ATOM 281 CD LYS A 19 -52.659 37.260 -1.141 1.00 0.00 C ATOM 282 CE LYS A 19 -53.311 38.397 -0.353 1.00 0.00 C ATOM 283 NZ LYS A 19 -52.260 39.129 0.416 1.00 0.00 N ATOM 0 H LYS A 19 -51.927 34.435 1.705 1.00 0.00 H new ATOM 0 HA LYS A 19 -49.424 34.595 0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -50.827 35.675 -1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -51.599 34.204 -0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -53.443 35.399 -0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -52.486 36.305 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -51.670 37.563 -1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -53.249 37.036 -2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -53.823 39.079 -1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -54.064 37.999 0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -52.712 39.801 1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -51.691 38.449 0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -51.645 39.647 -0.243 1.00 0.00 H new ATOM 297 N ARG A 20 -48.585 36.648 1.142 1.00 0.00 N ATOM 298 CA ARG A 20 -47.949 37.948 1.543 1.00 0.00 C ATOM 299 C ARG A 20 -48.792 38.730 2.571 1.00 0.00 C ATOM 300 O ARG A 20 -48.870 39.955 2.505 1.00 0.00 O ATOM 301 CB ARG A 20 -47.754 38.805 0.285 1.00 0.00 C ATOM 302 CG ARG A 20 -46.400 38.478 -0.352 1.00 0.00 C ATOM 303 CD ARG A 20 -46.163 39.406 -1.544 1.00 0.00 C ATOM 304 NE ARG A 20 -44.732 39.314 -1.964 1.00 0.00 N ATOM 305 CZ ARG A 20 -44.416 38.712 -3.060 1.00 0.00 C ATOM 306 NH1 ARG A 20 -44.566 39.313 -4.190 1.00 0.00 N ATOM 307 NH2 ARG A 20 -43.950 37.514 -3.022 1.00 0.00 N ATOM 0 H ARG A 20 -47.924 35.877 1.046 1.00 0.00 H new ATOM 0 HA ARG A 20 -46.995 37.722 2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -48.558 38.614 -0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -47.801 39.863 0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -45.602 38.598 0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -46.380 37.438 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -46.816 39.128 -2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -46.410 40.433 -1.275 1.00 0.00 H new ATOM 0 HE ARG A 20 -44.003 39.728 -1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -44.934 40.264 -4.217 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -44.316 38.838 -5.057 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -43.831 37.041 -2.126 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -43.700 37.036 -3.888 1.00 0.00 H new ATOM 321 N ASN A 21 -49.404 38.066 3.524 1.00 0.00 N ATOM 322 CA ASN A 21 -50.218 38.812 4.553 1.00 0.00 C ATOM 323 C ASN A 21 -51.113 37.857 5.360 1.00 0.00 C ATOM 324 O ASN A 21 -50.926 37.678 6.561 1.00 0.00 O ATOM 325 CB ASN A 21 -51.086 39.874 3.846 1.00 0.00 C ATOM 326 CG ASN A 21 -52.338 40.191 4.663 1.00 0.00 C ATOM 327 OD1 ASN A 21 -53.442 39.851 4.259 1.00 0.00 O ATOM 328 ND2 ASN A 21 -52.230 40.827 5.786 1.00 0.00 N ATOM 0 H ASN A 21 -49.380 37.053 3.638 1.00 0.00 H new ATOM 0 HA ASN A 21 -49.533 39.296 5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -50.504 40.784 3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -51.374 39.515 2.858 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -53.064 41.043 6.332 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -51.311 41.111 6.125 1.00 0.00 H new ATOM 335 N MET A 22 -52.097 37.278 4.730 1.00 0.00 N ATOM 336 CA MET A 22 -53.036 36.363 5.455 1.00 0.00 C ATOM 337 C MET A 22 -52.277 35.196 6.110 1.00 0.00 C ATOM 338 O MET A 22 -51.115 34.928 5.808 1.00 0.00 O ATOM 339 CB MET A 22 -54.063 35.812 4.461 1.00 0.00 C ATOM 340 CG MET A 22 -55.378 36.583 4.585 1.00 0.00 C ATOM 341 SD MET A 22 -56.756 35.496 4.138 1.00 0.00 S ATOM 342 CE MET A 22 -56.227 35.125 2.447 1.00 0.00 C ATOM 0 H MET A 22 -52.296 37.398 3.737 1.00 0.00 H new ATOM 0 HA MET A 22 -53.536 36.928 6.242 1.00 0.00 H new ATOM 0 HB2 MET A 22 -53.678 35.895 3.445 1.00 0.00 H new ATOM 0 HB3 MET A 22 -54.234 34.753 4.652 1.00 0.00 H new ATOM 0 HG2 MET A 22 -55.504 36.948 5.604 1.00 0.00 H new ATOM 0 HG3 MET A 22 -55.363 37.457 3.933 1.00 0.00 H new ATOM 0 HE1 MET A 22 -57.103 34.994 1.812 1.00 0.00 H new ATOM 0 HE2 MET A 22 -55.623 35.948 2.066 1.00 0.00 H new ATOM 0 HE3 MET A 22 -55.636 34.209 2.443 1.00 0.00 H new ATOM 352 N THR A 23 -52.923 34.498 7.007 1.00 0.00 N ATOM 353 CA THR A 23 -52.263 33.344 7.697 1.00 0.00 C ATOM 354 C THR A 23 -53.101 32.078 7.492 1.00 0.00 C ATOM 355 O THR A 23 -54.319 32.145 7.332 1.00 0.00 O ATOM 356 CB THR A 23 -52.150 33.637 9.200 1.00 0.00 C ATOM 357 OG1 THR A 23 -52.342 35.025 9.433 1.00 0.00 O ATOM 358 CG2 THR A 23 -50.766 33.232 9.702 1.00 0.00 C ATOM 0 H THR A 23 -53.885 34.677 7.295 1.00 0.00 H new ATOM 0 HA THR A 23 -51.267 33.197 7.278 1.00 0.00 H new ATOM 0 HB THR A 23 -52.913 33.067 9.731 1.00 0.00 H new ATOM 0 HG1 THR A 23 -52.271 35.208 10.393 1.00 0.00 H new ATOM 0 HG21 THR A 23 -50.690 33.442 10.769 1.00 0.00 H new ATOM 0 HG22 THR A 23 -50.614 32.166 9.530 1.00 0.00 H new ATOM 0 HG23 THR A 23 -50.004 33.798 9.166 1.00 0.00 H new ATOM 366 N VAL A 24 -52.478 30.928 7.497 1.00 0.00 N ATOM 367 CA VAL A 24 -53.240 29.652 7.305 1.00 0.00 C ATOM 368 C VAL A 24 -52.834 28.643 8.387 1.00 0.00 C ATOM 369 O VAL A 24 -51.657 28.326 8.553 1.00 0.00 O ATOM 370 CB VAL A 24 -52.929 29.067 5.920 1.00 0.00 C ATOM 371 CG1 VAL A 24 -53.576 27.688 5.781 1.00 0.00 C ATOM 372 CG2 VAL A 24 -53.491 29.983 4.836 1.00 0.00 C ATOM 0 H VAL A 24 -51.473 30.815 7.626 1.00 0.00 H new ATOM 0 HA VAL A 24 -54.308 29.857 7.380 1.00 0.00 H new ATOM 0 HB VAL A 24 -51.848 28.980 5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -53.352 27.278 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -53.182 27.022 6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -54.656 27.779 5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -53.268 29.564 3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -54.571 30.070 4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -53.036 30.970 4.921 1.00 0.00 H new ATOM 382 N HIS A 25 -53.783 28.132 9.122 1.00 0.00 N ATOM 383 CA HIS A 25 -53.451 27.141 10.193 1.00 0.00 C ATOM 384 C HIS A 25 -54.229 25.839 9.950 1.00 0.00 C ATOM 385 O HIS A 25 -55.449 25.847 9.825 1.00 0.00 O ATOM 386 CB HIS A 25 -53.823 27.729 11.561 1.00 0.00 C ATOM 387 CG HIS A 25 -53.070 29.014 11.780 1.00 0.00 C ATOM 388 ND1 HIS A 25 -51.877 29.061 12.480 1.00 0.00 N ATOM 389 CD2 HIS A 25 -53.327 30.305 11.392 1.00 0.00 C ATOM 390 CE1 HIS A 25 -51.463 30.343 12.492 1.00 0.00 C ATOM 391 NE2 HIS A 25 -52.312 31.142 11.842 1.00 0.00 N ATOM 0 H HIS A 25 -54.774 28.355 9.030 1.00 0.00 H new ATOM 0 HA HIS A 25 -52.383 26.923 10.174 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -54.896 27.912 11.610 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -53.585 27.017 12.351 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -54.188 30.623 10.823 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -50.556 30.683 12.969 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -52.233 32.150 11.705 1.00 0.00 H new ATOM 399 N PHE A 26 -53.543 24.725 9.877 1.00 0.00 N ATOM 400 CA PHE A 26 -54.235 23.415 9.637 1.00 0.00 C ATOM 401 C PHE A 26 -53.896 22.432 10.769 1.00 0.00 C ATOM 402 O PHE A 26 -52.775 21.927 10.845 1.00 0.00 O ATOM 403 CB PHE A 26 -53.741 22.821 8.312 1.00 0.00 C ATOM 404 CG PHE A 26 -54.693 23.158 7.189 1.00 0.00 C ATOM 405 CD1 PHE A 26 -54.607 24.400 6.552 1.00 0.00 C ATOM 406 CD2 PHE A 26 -55.652 22.225 6.776 1.00 0.00 C ATOM 407 CE1 PHE A 26 -55.477 24.711 5.502 1.00 0.00 C ATOM 408 CE2 PHE A 26 -56.525 22.537 5.726 1.00 0.00 C ATOM 409 CZ PHE A 26 -56.437 23.780 5.090 1.00 0.00 C ATOM 0 H PHE A 26 -52.529 24.664 9.973 1.00 0.00 H new ATOM 0 HA PHE A 26 -55.312 23.580 9.602 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -52.748 23.207 8.082 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -53.648 21.739 8.405 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -53.868 25.120 6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -55.719 21.265 7.267 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -55.408 25.670 5.009 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -57.266 21.818 5.408 1.00 0.00 H new ATOM 0 HZ PHE A 26 -57.110 24.021 4.281 1.00 0.00 H new ATOM 419 N LYS A 27 -54.828 22.140 11.637 1.00 0.00 N ATOM 420 CA LYS A 27 -54.534 21.179 12.747 1.00 0.00 C ATOM 421 C LYS A 27 -55.653 20.134 12.853 1.00 0.00 C ATOM 422 O LYS A 27 -56.844 20.457 12.812 1.00 0.00 O ATOM 423 CB LYS A 27 -54.413 21.946 14.070 1.00 0.00 C ATOM 424 CG LYS A 27 -54.157 20.960 15.219 1.00 0.00 C ATOM 425 CD LYS A 27 -53.220 21.602 16.247 1.00 0.00 C ATOM 426 CE LYS A 27 -52.282 20.538 16.817 1.00 0.00 C ATOM 427 NZ LYS A 27 -51.041 20.488 15.992 1.00 0.00 N ATOM 0 H LYS A 27 -55.774 22.521 11.629 1.00 0.00 H new ATOM 0 HA LYS A 27 -53.595 20.668 12.536 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -53.599 22.668 14.010 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -55.326 22.510 14.259 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -55.099 20.685 15.693 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -53.715 20.042 14.832 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -52.642 22.399 15.780 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -53.801 22.058 17.049 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -52.035 20.770 17.853 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -52.773 19.565 16.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -50.398 19.766 16.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -51.286 20.248 15.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -50.572 21.416 16.015 1.00 0.00 H new ATOM 441 N VAL A 28 -55.291 18.888 13.003 1.00 0.00 N ATOM 442 CA VAL A 28 -56.324 17.818 13.128 1.00 0.00 C ATOM 443 C VAL A 28 -56.925 17.863 14.540 1.00 0.00 C ATOM 444 O VAL A 28 -56.227 18.096 15.527 1.00 0.00 O ATOM 445 CB VAL A 28 -55.690 16.437 12.883 1.00 0.00 C ATOM 446 CG1 VAL A 28 -56.789 15.411 12.604 1.00 0.00 C ATOM 447 CG2 VAL A 28 -54.754 16.494 11.673 1.00 0.00 C ATOM 0 H VAL A 28 -54.325 18.564 13.044 1.00 0.00 H new ATOM 0 HA VAL A 28 -57.105 17.984 12.386 1.00 0.00 H new ATOM 0 HB VAL A 28 -55.124 16.150 13.769 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -56.339 14.434 12.431 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -57.460 15.355 13.461 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -57.353 15.713 11.721 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -54.311 15.512 11.509 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -55.319 16.789 10.789 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -53.964 17.222 11.858 1.00 0.00 H new ATOM 457 N LEU A 29 -58.202 17.634 14.659 1.00 0.00 N ATOM 458 CA LEU A 29 -58.847 17.647 16.012 1.00 0.00 C ATOM 459 C LEU A 29 -58.704 16.257 16.632 1.00 0.00 C ATOM 460 O LEU A 29 -58.529 16.100 17.839 1.00 0.00 O ATOM 461 CB LEU A 29 -60.338 18.002 15.886 1.00 0.00 C ATOM 462 CG LEU A 29 -60.536 19.055 14.798 1.00 0.00 C ATOM 463 CD1 LEU A 29 -62.025 19.356 14.648 1.00 0.00 C ATOM 464 CD2 LEU A 29 -59.803 20.339 15.185 1.00 0.00 C ATOM 0 H LEU A 29 -58.832 17.438 13.881 1.00 0.00 H new ATOM 0 HA LEU A 29 -58.363 18.394 16.641 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -60.914 17.108 15.647 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -60.712 18.377 16.839 1.00 0.00 H new ATOM 0 HG LEU A 29 -60.138 18.677 13.856 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -62.168 20.108 13.872 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -62.555 18.444 14.372 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -62.417 19.732 15.593 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -59.946 21.088 14.407 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -60.200 20.715 16.128 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -58.739 20.131 15.297 1.00 0.00 H new ATOM 476 N ARG A 30 -58.774 15.244 15.814 1.00 0.00 N ATOM 477 CA ARG A 30 -58.639 13.849 16.321 1.00 0.00 C ATOM 478 C ARG A 30 -57.244 13.302 15.981 1.00 0.00 C ATOM 479 O ARG A 30 -56.772 13.421 14.850 1.00 0.00 O ATOM 480 CB ARG A 30 -59.707 12.969 15.664 1.00 0.00 C ATOM 481 CG ARG A 30 -60.811 12.648 16.676 1.00 0.00 C ATOM 482 CD ARG A 30 -60.528 11.286 17.311 1.00 0.00 C ATOM 483 NE ARG A 30 -61.354 11.129 18.547 1.00 0.00 N ATOM 484 CZ ARG A 30 -61.322 10.022 19.208 1.00 0.00 C ATOM 485 NH1 ARG A 30 -60.429 9.845 20.121 1.00 0.00 N ATOM 486 NH2 ARG A 30 -62.178 9.096 18.946 1.00 0.00 N ATOM 0 H ARG A 30 -58.920 15.323 14.808 1.00 0.00 H new ATOM 0 HA ARG A 30 -58.770 13.843 17.403 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -60.131 13.480 14.800 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -59.256 12.046 15.299 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -60.852 13.420 17.445 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -61.783 12.638 16.182 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -60.758 10.489 16.604 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -59.469 11.200 17.555 1.00 0.00 H new ATOM 0 HE ARG A 30 -61.943 11.898 18.868 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -59.750 10.580 20.319 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -60.402 8.970 20.645 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -62.878 9.240 18.218 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -62.156 8.219 19.466 1.00 0.00 H new ATOM 631 N PHE A 40 -59.554 11.750 10.470 1.00 0.00 N ATOM 632 CA PHE A 40 -60.871 11.995 11.154 1.00 0.00 C ATOM 633 C PHE A 40 -61.376 13.430 10.916 1.00 0.00 C ATOM 634 O PHE A 40 -62.173 13.674 10.007 1.00 0.00 O ATOM 635 CB PHE A 40 -60.747 11.711 12.662 1.00 0.00 C ATOM 636 CG PHE A 40 -60.014 10.406 12.879 1.00 0.00 C ATOM 637 CD1 PHE A 40 -60.593 9.202 12.473 1.00 0.00 C ATOM 638 CD2 PHE A 40 -58.755 10.406 13.491 1.00 0.00 C ATOM 639 CE1 PHE A 40 -59.915 7.994 12.678 1.00 0.00 C ATOM 640 CE2 PHE A 40 -58.078 9.200 13.697 1.00 0.00 C ATOM 641 CZ PHE A 40 -58.657 7.994 13.290 1.00 0.00 C ATOM 0 HA PHE A 40 -61.604 11.313 10.722 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -60.212 12.525 13.152 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -61.737 11.662 13.115 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -61.564 9.202 12.001 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -58.307 11.337 13.804 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -60.363 7.063 12.364 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -57.107 9.200 14.171 1.00 0.00 H new ATOM 0 HZ PHE A 40 -58.133 7.063 13.448 1.00 0.00 H new ATOM 651 N ILE A 41 -60.964 14.382 11.714 1.00 0.00 N ATOM 652 CA ILE A 41 -61.465 15.780 11.518 1.00 0.00 C ATOM 653 C ILE A 41 -60.321 16.785 11.668 1.00 0.00 C ATOM 654 O ILE A 41 -59.572 16.761 12.646 1.00 0.00 O ATOM 655 CB ILE A 41 -62.552 16.095 12.557 1.00 0.00 C ATOM 656 CG1 ILE A 41 -63.588 14.969 12.587 1.00 0.00 C ATOM 657 CG2 ILE A 41 -63.251 17.400 12.179 1.00 0.00 C ATOM 658 CD1 ILE A 41 -63.348 14.088 13.813 1.00 0.00 C ATOM 0 H ILE A 41 -60.309 14.256 12.486 1.00 0.00 H new ATOM 0 HA ILE A 41 -61.881 15.859 10.514 1.00 0.00 H new ATOM 0 HB ILE A 41 -62.088 16.189 13.539 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -64.594 15.387 12.618 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -63.518 14.372 11.678 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -64.023 17.626 12.915 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -62.522 18.210 12.158 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -63.707 17.296 11.195 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -64.086 13.286 13.835 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -62.347 13.659 13.763 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -63.440 14.690 14.717 1.00 0.00 H new ATOM 670 N THR A 42 -60.190 17.680 10.728 1.00 0.00 N ATOM 671 CA THR A 42 -59.104 18.708 10.808 1.00 0.00 C ATOM 672 C THR A 42 -59.722 20.107 10.753 1.00 0.00 C ATOM 673 O THR A 42 -60.577 20.395 9.911 1.00 0.00 O ATOM 674 CB THR A 42 -58.114 18.504 9.643 1.00 0.00 C ATOM 675 OG1 THR A 42 -56.848 18.141 10.165 1.00 0.00 O ATOM 676 CG2 THR A 42 -57.949 19.780 8.815 1.00 0.00 C ATOM 0 H THR A 42 -60.788 17.747 9.904 1.00 0.00 H new ATOM 0 HA THR A 42 -58.562 18.602 11.748 1.00 0.00 H new ATOM 0 HB THR A 42 -58.511 17.719 8.999 1.00 0.00 H new ATOM 0 HG1 THR A 42 -56.477 17.402 9.639 1.00 0.00 H new ATOM 0 HG21 THR A 42 -57.244 19.599 8.003 1.00 0.00 H new ATOM 0 HG22 THR A 42 -58.914 20.071 8.400 1.00 0.00 H new ATOM 0 HG23 THR A 42 -57.571 20.580 9.451 1.00 0.00 H new ATOM 684 N ALA A 43 -59.303 20.977 11.629 1.00 0.00 N ATOM 685 CA ALA A 43 -59.849 22.367 11.637 1.00 0.00 C ATOM 686 C ALA A 43 -58.796 23.322 11.060 1.00 0.00 C ATOM 687 O ALA A 43 -57.680 23.431 11.577 1.00 0.00 O ATOM 688 CB ALA A 43 -60.193 22.767 13.075 1.00 0.00 C ATOM 0 H ALA A 43 -58.602 20.786 12.345 1.00 0.00 H new ATOM 0 HA ALA A 43 -60.752 22.418 11.029 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -60.592 23.781 13.085 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -60.938 22.080 13.475 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -59.294 22.725 13.689 1.00 0.00 H new ATOM 694 N CYS A 44 -59.114 24.005 9.994 1.00 0.00 N ATOM 695 CA CYS A 44 -58.116 24.935 9.389 1.00 0.00 C ATOM 696 C CYS A 44 -58.656 26.369 9.355 1.00 0.00 C ATOM 697 O CYS A 44 -59.857 26.604 9.240 1.00 0.00 O ATOM 698 CB CYS A 44 -57.782 24.471 7.969 1.00 0.00 C ATOM 699 SG CYS A 44 -59.205 24.724 6.881 1.00 0.00 S ATOM 0 H CYS A 44 -60.015 23.961 9.518 1.00 0.00 H new ATOM 0 HA CYS A 44 -57.214 24.925 10.001 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -56.922 25.024 7.590 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -57.504 23.417 7.978 1.00 0.00 H new ATOM 0 HG CYS A 44 -58.890 25.567 5.943 1.00 0.00 H new ATOM 705 N ILE A 45 -57.785 27.335 9.452 1.00 0.00 N ATOM 706 CA ILE A 45 -58.233 28.759 9.421 1.00 0.00 C ATOM 707 C ILE A 45 -57.368 29.555 8.434 1.00 0.00 C ATOM 708 O ILE A 45 -56.158 29.339 8.323 1.00 0.00 O ATOM 709 CB ILE A 45 -58.118 29.362 10.831 1.00 0.00 C ATOM 710 CG1 ILE A 45 -58.965 30.633 10.913 1.00 0.00 C ATOM 711 CG2 ILE A 45 -56.661 29.713 11.140 1.00 0.00 C ATOM 712 CD1 ILE A 45 -59.031 31.114 12.366 1.00 0.00 C ATOM 0 H ILE A 45 -56.779 27.201 9.552 1.00 0.00 H new ATOM 0 HA ILE A 45 -59.272 28.807 9.095 1.00 0.00 H new ATOM 0 HB ILE A 45 -58.473 28.629 11.556 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -58.535 31.410 10.281 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -59.970 30.437 10.538 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -56.594 30.139 12.141 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -56.051 28.811 11.087 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -56.299 30.439 10.412 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -59.635 32.020 12.422 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -59.481 30.339 12.986 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -58.024 31.326 12.725 1.00 0.00 H new ATOM 724 N VAL A 46 -57.967 30.469 7.719 1.00 0.00 N ATOM 725 CA VAL A 46 -57.198 31.294 6.739 1.00 0.00 C ATOM 726 C VAL A 46 -57.617 32.765 6.877 1.00 0.00 C ATOM 727 O VAL A 46 -58.756 33.135 6.586 1.00 0.00 O ATOM 728 CB VAL A 46 -57.480 30.806 5.311 1.00 0.00 C ATOM 729 CG1 VAL A 46 -56.770 31.716 4.309 1.00 0.00 C ATOM 730 CG2 VAL A 46 -56.955 29.379 5.141 1.00 0.00 C ATOM 0 H VAL A 46 -58.963 30.682 7.771 1.00 0.00 H new ATOM 0 HA VAL A 46 -56.131 31.198 6.942 1.00 0.00 H new ATOM 0 HB VAL A 46 -58.555 30.827 5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -56.971 31.368 3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -57.136 32.737 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -55.696 31.693 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -57.157 29.036 4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -55.880 29.363 5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -57.453 28.721 5.853 1.00 0.00 H new ATOM 740 N GLY A 47 -56.720 33.608 7.319 1.00 0.00 N ATOM 741 CA GLY A 47 -57.054 35.063 7.481 1.00 0.00 C ATOM 742 C GLY A 47 -58.220 35.243 8.463 1.00 0.00 C ATOM 743 O GLY A 47 -58.038 35.214 9.676 1.00 0.00 O ATOM 0 H GLY A 47 -55.766 33.355 7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -56.180 35.604 7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -57.317 35.491 6.514 1.00 0.00 H new ATOM 747 N SER A 48 -59.413 35.435 7.961 1.00 0.00 N ATOM 748 CA SER A 48 -60.596 35.626 8.867 1.00 0.00 C ATOM 749 C SER A 48 -61.679 34.573 8.574 1.00 0.00 C ATOM 750 O SER A 48 -62.856 34.781 8.860 1.00 0.00 O ATOM 751 CB SER A 48 -61.182 37.025 8.652 1.00 0.00 C ATOM 752 OG SER A 48 -60.132 37.989 8.661 1.00 0.00 O ATOM 0 H SER A 48 -59.623 35.468 6.964 1.00 0.00 H new ATOM 0 HA SER A 48 -60.266 35.514 9.900 1.00 0.00 H new ATOM 0 HB2 SER A 48 -61.717 37.064 7.703 1.00 0.00 H new ATOM 0 HB3 SER A 48 -61.905 37.252 9.436 1.00 0.00 H new ATOM 0 HG SER A 48 -60.508 38.883 8.522 1.00 0.00 H new ATOM 758 N ILE A 49 -61.311 33.448 8.016 1.00 0.00 N ATOM 759 CA ILE A 49 -62.325 32.389 7.715 1.00 0.00 C ATOM 760 C ILE A 49 -61.834 31.039 8.259 1.00 0.00 C ATOM 761 O ILE A 49 -60.665 30.682 8.115 1.00 0.00 O ATOM 762 CB ILE A 49 -62.531 32.294 6.195 1.00 0.00 C ATOM 763 CG1 ILE A 49 -63.219 33.564 5.690 1.00 0.00 C ATOM 764 CG2 ILE A 49 -63.413 31.087 5.860 1.00 0.00 C ATOM 765 CD1 ILE A 49 -63.243 33.562 4.160 1.00 0.00 C ATOM 0 H ILE A 49 -60.353 33.216 7.755 1.00 0.00 H new ATOM 0 HA ILE A 49 -63.272 32.645 8.191 1.00 0.00 H new ATOM 0 HB ILE A 49 -61.559 32.181 5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -64.236 33.618 6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -62.691 34.445 6.054 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -63.554 31.028 4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -62.932 30.175 6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -64.382 31.198 6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -63.733 34.467 3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -62.222 33.528 3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -63.791 32.689 3.806 1.00 0.00 H new ATOM 777 N VAL A 50 -62.701 30.281 8.871 1.00 0.00 N ATOM 778 CA VAL A 50 -62.286 28.948 9.411 1.00 0.00 C ATOM 779 C VAL A 50 -63.024 27.848 8.639 1.00 0.00 C ATOM 780 O VAL A 50 -64.162 28.029 8.212 1.00 0.00 O ATOM 781 CB VAL A 50 -62.621 28.839 10.908 1.00 0.00 C ATOM 782 CG1 VAL A 50 -61.554 27.993 11.604 1.00 0.00 C ATOM 783 CG2 VAL A 50 -62.645 30.227 11.556 1.00 0.00 C ATOM 0 H VAL A 50 -63.680 30.524 9.022 1.00 0.00 H new ATOM 0 HA VAL A 50 -61.209 28.835 9.291 1.00 0.00 H new ATOM 0 HB VAL A 50 -63.603 28.377 11.012 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -61.788 27.913 12.666 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -61.533 26.997 11.161 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -60.579 28.465 11.482 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -62.884 30.130 12.615 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -61.668 30.697 11.446 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -63.401 30.843 11.069 1.00 0.00 H new ATOM 793 N THR A 51 -62.398 26.720 8.448 1.00 0.00 N ATOM 794 CA THR A 51 -63.056 25.612 7.693 1.00 0.00 C ATOM 795 C THR A 51 -62.623 24.255 8.257 1.00 0.00 C ATOM 796 O THR A 51 -61.436 23.946 8.336 1.00 0.00 O ATOM 797 CB THR A 51 -62.641 25.693 6.223 1.00 0.00 C ATOM 798 OG1 THR A 51 -63.207 26.855 5.638 1.00 0.00 O ATOM 799 CG2 THR A 51 -63.133 24.455 5.475 1.00 0.00 C ATOM 0 H THR A 51 -61.456 26.515 8.782 1.00 0.00 H new ATOM 0 HA THR A 51 -64.137 25.711 7.788 1.00 0.00 H new ATOM 0 HB THR A 51 -61.554 25.741 6.158 1.00 0.00 H new ATOM 0 HG1 THR A 51 -63.948 26.598 5.051 1.00 0.00 H new ATOM 0 HG21 THR A 51 -62.834 24.519 4.429 1.00 0.00 H new ATOM 0 HG22 THR A 51 -62.697 23.562 5.923 1.00 0.00 H new ATOM 0 HG23 THR A 51 -64.220 24.399 5.539 1.00 0.00 H new ATOM 807 N GLU A 52 -63.556 23.431 8.636 1.00 0.00 N ATOM 808 CA GLU A 52 -63.190 22.089 9.177 1.00 0.00 C ATOM 809 C GLU A 52 -63.616 21.000 8.189 1.00 0.00 C ATOM 810 O GLU A 52 -64.585 21.161 7.436 1.00 0.00 O ATOM 811 CB GLU A 52 -63.892 21.863 10.513 1.00 0.00 C ATOM 812 CG GLU A 52 -63.355 22.860 11.544 1.00 0.00 C ATOM 813 CD GLU A 52 -64.371 23.032 12.669 1.00 0.00 C ATOM 814 OE1 GLU A 52 -65.355 23.716 12.448 1.00 0.00 O ATOM 815 OE2 GLU A 52 -64.144 22.479 13.730 1.00 0.00 O ATOM 0 H GLU A 52 -64.556 23.625 8.596 1.00 0.00 H new ATOM 0 HA GLU A 52 -62.111 22.045 9.322 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -64.969 21.988 10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -63.725 20.842 10.856 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -62.407 22.505 11.948 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -63.159 23.821 11.068 1.00 0.00 H new ATOM 822 N GLY A 53 -62.912 19.897 8.178 1.00 0.00 N ATOM 823 CA GLY A 53 -63.261 18.777 7.244 1.00 0.00 C ATOM 824 C GLY A 53 -62.367 17.560 7.521 1.00 0.00 C ATOM 825 O GLY A 53 -62.493 16.912 8.557 1.00 0.00 O ATOM 0 H GLY A 53 -62.106 19.721 8.778 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -64.309 18.504 7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -63.136 19.102 6.211 1.00 0.00 H new ATOM 829 N GLU A 54 -61.478 17.247 6.605 1.00 0.00 N ATOM 830 CA GLU A 54 -60.550 16.070 6.762 1.00 0.00 C ATOM 831 C GLU A 54 -61.240 14.788 6.263 1.00 0.00 C ATOM 832 O GLU A 54 -61.044 14.370 5.124 1.00 0.00 O ATOM 833 CB GLU A 54 -60.118 15.908 8.226 1.00 0.00 C ATOM 834 CG GLU A 54 -58.885 14.996 8.308 1.00 0.00 C ATOM 835 CD GLU A 54 -57.602 15.828 8.236 1.00 0.00 C ATOM 836 OE1 GLU A 54 -57.404 16.498 7.239 1.00 0.00 O ATOM 837 OE2 GLU A 54 -56.843 15.788 9.188 1.00 0.00 O ATOM 0 H GLU A 54 -61.352 17.767 5.736 1.00 0.00 H new ATOM 0 HA GLU A 54 -59.657 16.250 6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -59.890 16.883 8.657 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -60.934 15.484 8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -58.906 14.428 9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -58.904 14.273 7.492 1.00 0.00 H new ATOM 844 N GLY A 55 -62.046 14.161 7.075 1.00 0.00 N ATOM 845 CA GLY A 55 -62.744 12.906 6.631 1.00 0.00 C ATOM 846 C GLY A 55 -62.256 11.706 7.458 1.00 0.00 C ATOM 847 O GLY A 55 -61.257 11.779 8.168 1.00 0.00 O ATOM 0 H GLY A 55 -62.256 14.458 8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -63.822 13.021 6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -62.552 12.730 5.573 1.00 0.00 H new ATOM 943 N LYS A 62 -56.125 15.798 4.478 1.00 0.00 N ATOM 944 CA LYS A 62 -55.560 17.094 3.986 1.00 0.00 C ATOM 945 C LYS A 62 -56.233 17.462 2.657 1.00 0.00 C ATOM 946 O LYS A 62 -56.518 18.627 2.387 1.00 0.00 O ATOM 947 CB LYS A 62 -54.044 16.953 3.790 1.00 0.00 C ATOM 948 CG LYS A 62 -53.330 17.279 5.105 1.00 0.00 C ATOM 949 CD LYS A 62 -53.367 18.793 5.341 1.00 0.00 C ATOM 950 CE LYS A 62 -52.378 19.166 6.445 1.00 0.00 C ATOM 951 NZ LYS A 62 -52.195 20.650 6.462 1.00 0.00 N ATOM 0 HA LYS A 62 -55.748 17.882 4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -53.800 15.939 3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -53.704 17.625 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -53.812 16.759 5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -52.298 16.930 5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -53.116 19.321 4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -54.374 19.103 5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -52.747 18.822 7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -51.422 18.672 6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -51.798 20.940 7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -51.545 20.928 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -53.114 21.115 6.320 1.00 0.00 H new ATOM 965 N LYS A 63 -56.514 16.479 1.837 1.00 0.00 N ATOM 966 CA LYS A 63 -57.197 16.748 0.537 1.00 0.00 C ATOM 967 C LYS A 63 -58.630 17.219 0.811 1.00 0.00 C ATOM 968 O LYS A 63 -59.037 18.289 0.380 1.00 0.00 O ATOM 969 CB LYS A 63 -57.233 15.461 -0.297 1.00 0.00 C ATOM 970 CG LYS A 63 -55.868 15.238 -0.956 1.00 0.00 C ATOM 971 CD LYS A 63 -55.643 13.739 -1.173 1.00 0.00 C ATOM 972 CE LYS A 63 -56.199 13.325 -2.537 1.00 0.00 C ATOM 973 NZ LYS A 63 -55.292 12.318 -3.156 1.00 0.00 N ATOM 0 H LYS A 63 -56.298 15.498 2.015 1.00 0.00 H new ATOM 0 HA LYS A 63 -56.655 17.519 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -57.485 14.611 0.338 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -58.009 15.531 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -55.822 15.765 -1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -55.078 15.648 -0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -54.579 13.510 -1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -56.132 13.170 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -57.200 12.908 -2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -56.289 14.197 -3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -55.668 12.035 -4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -54.346 12.732 -3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -55.228 11.483 -2.539 1.00 0.00 H new ATOM 987 N ARG A 64 -59.396 16.437 1.526 1.00 0.00 N ATOM 988 CA ARG A 64 -60.807 16.831 1.834 1.00 0.00 C ATOM 989 C ARG A 64 -60.838 18.109 2.688 1.00 0.00 C ATOM 990 O ARG A 64 -61.664 18.991 2.467 1.00 0.00 O ATOM 991 CB ARG A 64 -61.494 15.690 2.587 1.00 0.00 C ATOM 992 CG ARG A 64 -63.014 15.884 2.534 1.00 0.00 C ATOM 993 CD ARG A 64 -63.661 15.198 3.737 1.00 0.00 C ATOM 994 NE ARG A 64 -64.953 14.577 3.310 1.00 0.00 N ATOM 995 CZ ARG A 64 -66.061 15.234 3.414 1.00 0.00 C ATOM 996 NH1 ARG A 64 -66.713 15.221 4.526 1.00 0.00 N ATOM 997 NH2 ARG A 64 -66.508 15.898 2.407 1.00 0.00 N ATOM 0 H ARG A 64 -59.106 15.539 1.912 1.00 0.00 H new ATOM 0 HA ARG A 64 -61.332 17.028 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -61.223 14.732 2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -61.155 15.668 3.623 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -63.255 16.947 2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -63.412 15.468 1.608 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -62.993 14.437 4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -63.837 15.922 4.533 1.00 0.00 H new ATOM 0 HE ARG A 64 -64.960 13.629 2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -66.354 14.693 5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -67.588 15.739 4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -65.988 15.905 1.529 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -67.382 16.417 2.486 1.00 0.00 H new ATOM 1011 N ALA A 65 -59.963 18.230 3.655 1.00 0.00 N ATOM 1012 CA ALA A 65 -59.955 19.458 4.509 1.00 0.00 C ATOM 1013 C ALA A 65 -59.600 20.678 3.644 1.00 0.00 C ATOM 1014 O ALA A 65 -60.280 21.703 3.681 1.00 0.00 O ATOM 1015 CB ALA A 65 -58.925 19.296 5.635 1.00 0.00 C ATOM 0 H ALA A 65 -59.256 17.534 3.890 1.00 0.00 H new ATOM 0 HA ALA A 65 -60.942 19.604 4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -58.921 20.192 6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -59.187 18.432 6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -57.935 19.149 5.204 1.00 0.00 H new ATOM 1021 N ALA A 66 -58.557 20.580 2.857 1.00 0.00 N ATOM 1022 CA ALA A 66 -58.165 21.724 1.980 1.00 0.00 C ATOM 1023 C ALA A 66 -59.242 21.949 0.907 1.00 0.00 C ATOM 1024 O ALA A 66 -59.723 23.066 0.728 1.00 0.00 O ATOM 1025 CB ALA A 66 -56.824 21.414 1.312 1.00 0.00 C ATOM 0 H ALA A 66 -57.960 19.756 2.785 1.00 0.00 H new ATOM 0 HA ALA A 66 -58.070 22.628 2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -56.535 22.247 0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -56.062 21.264 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -56.917 20.510 0.711 1.00 0.00 H new ATOM 1031 N GLU A 67 -59.633 20.915 0.200 1.00 0.00 N ATOM 1032 CA GLU A 67 -60.688 21.073 -0.853 1.00 0.00 C ATOM 1033 C GLU A 67 -61.946 21.678 -0.222 1.00 0.00 C ATOM 1034 O GLU A 67 -62.507 22.655 -0.719 1.00 0.00 O ATOM 1035 CB GLU A 67 -61.026 19.706 -1.466 1.00 0.00 C ATOM 1036 CG GLU A 67 -60.864 19.770 -2.992 1.00 0.00 C ATOM 1037 CD GLU A 67 -61.966 20.640 -3.602 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -61.763 21.841 -3.692 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -62.987 20.088 -3.975 1.00 0.00 O ATOM 0 H GLU A 67 -59.268 19.969 0.306 1.00 0.00 H new ATOM 0 HA GLU A 67 -60.318 21.732 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -60.371 18.939 -1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -62.047 19.424 -1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -59.886 20.179 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -60.908 18.765 -3.413 1.00 0.00 H new ATOM 1046 N LYS A 68 -62.386 21.130 0.881 1.00 0.00 N ATOM 1047 CA LYS A 68 -63.596 21.678 1.565 1.00 0.00 C ATOM 1048 C LYS A 68 -63.416 23.188 1.796 1.00 0.00 C ATOM 1049 O LYS A 68 -64.331 23.977 1.569 1.00 0.00 O ATOM 1050 CB LYS A 68 -63.796 20.959 2.903 1.00 0.00 C ATOM 1051 CG LYS A 68 -65.243 21.136 3.363 1.00 0.00 C ATOM 1052 CD LYS A 68 -65.311 22.282 4.371 1.00 0.00 C ATOM 1053 CE LYS A 68 -66.532 22.109 5.265 1.00 0.00 C ATOM 1054 NZ LYS A 68 -66.324 22.899 6.508 1.00 0.00 N ATOM 0 H LYS A 68 -61.959 20.325 1.339 1.00 0.00 H new ATOM 0 HA LYS A 68 -64.475 21.517 0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -63.563 19.899 2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -63.113 21.362 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -65.886 21.348 2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -65.609 20.215 3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -64.405 22.300 4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -65.364 23.237 3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -67.430 22.446 4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -66.679 21.056 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -67.150 22.791 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -65.474 22.556 6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -66.202 23.903 6.265 1.00 0.00 H new ATOM 1068 N MET A 69 -62.250 23.614 2.219 1.00 0.00 N ATOM 1069 CA MET A 69 -62.028 25.079 2.427 1.00 0.00 C ATOM 1070 C MET A 69 -61.953 25.775 1.063 1.00 0.00 C ATOM 1071 O MET A 69 -62.466 26.878 0.883 1.00 0.00 O ATOM 1072 CB MET A 69 -60.725 25.312 3.196 1.00 0.00 C ATOM 1073 CG MET A 69 -60.720 26.741 3.748 1.00 0.00 C ATOM 1074 SD MET A 69 -59.199 27.025 4.684 1.00 0.00 S ATOM 1075 CE MET A 69 -59.948 27.899 6.082 1.00 0.00 C ATOM 0 H MET A 69 -61.450 23.017 2.427 1.00 0.00 H new ATOM 0 HA MET A 69 -62.855 25.489 3.006 1.00 0.00 H new ATOM 0 HB2 MET A 69 -60.635 24.593 4.011 1.00 0.00 H new ATOM 0 HB3 MET A 69 -59.868 25.159 2.540 1.00 0.00 H new ATOM 0 HG2 MET A 69 -60.795 27.458 2.930 1.00 0.00 H new ATOM 0 HG3 MET A 69 -61.588 26.897 4.389 1.00 0.00 H new ATOM 0 HE1 MET A 69 -59.564 27.488 7.016 1.00 0.00 H new ATOM 0 HE2 MET A 69 -59.700 28.959 6.023 1.00 0.00 H new ATOM 0 HE3 MET A 69 -61.031 27.777 6.050 1.00 0.00 H new ATOM 1085 N LEU A 70 -61.340 25.147 0.092 1.00 0.00 N ATOM 1086 CA LEU A 70 -61.256 25.767 -1.263 1.00 0.00 C ATOM 1087 C LEU A 70 -62.680 26.002 -1.794 1.00 0.00 C ATOM 1088 O LEU A 70 -63.019 27.101 -2.238 1.00 0.00 O ATOM 1089 CB LEU A 70 -60.482 24.835 -2.208 1.00 0.00 C ATOM 1090 CG LEU A 70 -58.978 24.939 -1.923 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -58.205 24.067 -2.912 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -58.520 26.391 -2.074 1.00 0.00 C ATOM 0 H LEU A 70 -60.895 24.233 0.180 1.00 0.00 H new ATOM 0 HA LEU A 70 -60.731 26.721 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -60.817 23.806 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -60.684 25.103 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 70 -58.787 24.599 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -57.137 24.143 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -58.522 23.029 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -58.404 24.406 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -57.451 26.458 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -58.718 26.731 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -59.064 27.019 -1.369 1.00 0.00 H new ATOM 1104 N VAL A 71 -63.527 25.002 -1.751 1.00 0.00 N ATOM 1105 CA VAL A 71 -64.932 25.176 -2.242 1.00 0.00 C ATOM 1106 C VAL A 71 -65.695 26.162 -1.335 1.00 0.00 C ATOM 1107 O VAL A 71 -66.683 26.775 -1.756 1.00 0.00 O ATOM 1108 CB VAL A 71 -65.649 23.820 -2.243 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -64.886 22.828 -3.119 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -65.723 23.271 -0.819 1.00 0.00 C ATOM 0 H VAL A 71 -63.306 24.071 -1.397 1.00 0.00 H new ATOM 0 HA VAL A 71 -64.905 25.575 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 71 -66.656 23.957 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -65.401 21.868 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -64.835 23.208 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -63.876 22.700 -2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -66.233 22.308 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -64.715 23.144 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -66.274 23.969 -0.188 1.00 0.00 H new ATOM 1120 N GLU A 72 -65.259 26.334 -0.109 1.00 0.00 N ATOM 1121 CA GLU A 72 -65.943 27.287 0.818 1.00 0.00 C ATOM 1122 C GLU A 72 -65.497 28.714 0.462 1.00 0.00 C ATOM 1123 O GLU A 72 -66.314 29.595 0.199 1.00 0.00 O ATOM 1124 CB GLU A 72 -65.537 26.956 2.266 1.00 0.00 C ATOM 1125 CG GLU A 72 -66.788 26.691 3.122 1.00 0.00 C ATOM 1126 CD GLU A 72 -66.444 25.777 4.307 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -65.559 26.121 5.073 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -67.080 24.747 4.439 1.00 0.00 O ATOM 0 H GLU A 72 -64.454 25.851 0.290 1.00 0.00 H new ATOM 0 HA GLU A 72 -67.026 27.205 0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -64.887 26.081 2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -64.966 27.783 2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -67.192 27.635 3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -67.563 26.228 2.511 1.00 0.00 H new ATOM 1135 N LEU A 73 -64.208 28.940 0.430 1.00 0.00 N ATOM 1136 CA LEU A 73 -63.661 30.292 0.082 1.00 0.00 C ATOM 1137 C LEU A 73 -64.047 30.682 -1.354 1.00 0.00 C ATOM 1138 O LEU A 73 -64.234 31.854 -1.657 1.00 0.00 O ATOM 1139 CB LEU A 73 -62.131 30.258 0.191 1.00 0.00 C ATOM 1140 CG LEU A 73 -61.713 29.885 1.615 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -60.279 29.363 1.601 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -61.785 31.120 2.504 1.00 0.00 C ATOM 0 H LEU A 73 -63.499 28.236 0.633 1.00 0.00 H new ATOM 0 HA LEU A 73 -64.078 31.025 0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -61.724 29.536 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -61.718 31.231 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 73 -62.382 29.115 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -59.979 29.097 2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -60.219 28.482 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -59.614 30.137 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -61.487 30.856 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -61.114 31.887 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -62.806 31.503 2.513 1.00 0.00 H new ATOM 1154 N GLN A 74 -64.158 29.732 -2.248 1.00 0.00 N ATOM 1155 CA GLN A 74 -64.519 30.072 -3.664 1.00 0.00 C ATOM 1156 C GLN A 74 -66.029 30.357 -3.803 1.00 0.00 C ATOM 1157 O GLN A 74 -66.556 30.433 -4.913 1.00 0.00 O ATOM 1158 CB GLN A 74 -64.144 28.896 -4.568 1.00 0.00 C ATOM 1159 CG GLN A 74 -62.648 28.966 -4.907 1.00 0.00 C ATOM 1160 CD GLN A 74 -62.182 27.637 -5.502 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -61.638 27.597 -6.596 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -62.363 26.541 -4.837 1.00 0.00 N ATOM 0 H GLN A 74 -64.016 28.739 -2.063 1.00 0.00 H new ATOM 0 HA GLN A 74 -63.973 30.969 -3.955 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -64.371 27.954 -4.069 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -64.736 28.923 -5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -62.465 29.774 -5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -62.074 29.193 -4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -62.816 26.568 -3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -62.052 25.651 -5.226 1.00 0.00 H new ATOM 1171 N LYS A 75 -66.738 30.506 -2.715 1.00 0.00 N ATOM 1172 CA LYS A 75 -68.208 30.778 -2.810 1.00 0.00 C ATOM 1173 C LYS A 75 -68.611 32.019 -1.987 1.00 0.00 C ATOM 1174 O LYS A 75 -69.761 32.456 -2.048 1.00 0.00 O ATOM 1175 CB LYS A 75 -68.972 29.561 -2.291 1.00 0.00 C ATOM 1176 CG LYS A 75 -70.063 29.185 -3.295 1.00 0.00 C ATOM 1177 CD LYS A 75 -70.632 27.807 -2.945 1.00 0.00 C ATOM 1178 CE LYS A 75 -69.712 26.711 -3.490 1.00 0.00 C ATOM 1179 NZ LYS A 75 -68.952 26.098 -2.358 1.00 0.00 N ATOM 0 H LYS A 75 -66.367 30.452 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 75 -68.453 30.972 -3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -68.290 28.723 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -69.415 29.782 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -70.857 29.932 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -69.653 29.174 -4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -70.730 27.708 -1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -71.631 27.698 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -70.299 25.950 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -69.022 27.130 -4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -68.640 25.143 -2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -68.121 26.685 -2.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -69.565 26.040 -1.520 1.00 0.00 H new ATOM 1193 N LEU A 76 -67.713 32.581 -1.219 1.00 0.00 N ATOM 1194 CA LEU A 76 -68.063 33.776 -0.402 1.00 0.00 C ATOM 1195 C LEU A 76 -67.333 35.019 -0.944 1.00 0.00 C ATOM 1196 O LEU A 76 -66.114 34.979 -1.051 1.00 0.00 O ATOM 1197 CB LEU A 76 -67.641 33.516 1.044 1.00 0.00 C ATOM 1198 CG LEU A 76 -68.605 32.520 1.689 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -68.001 31.996 2.988 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -69.927 33.219 1.995 1.00 0.00 C ATOM 1201 OXT LEU A 76 -68.008 35.993 -1.239 1.00 0.00 O ATOM 0 H LEU A 76 -66.749 32.260 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 76 -69.137 33.956 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -66.624 33.124 1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -67.638 34.450 1.606 1.00 0.00 H new ATOM 0 HG LEU A 76 -68.779 31.689 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -68.688 31.286 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -67.055 31.499 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -67.828 32.828 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -70.615 32.510 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -69.750 34.049 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -70.361 33.598 1.070 1.00 0.00 H new