USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 594 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 23 HIS :FLIP no HD1:sc= -0.0783 F(o=-3,f=-1.2) USER MOD Set 1.2: A 54 CYS SG : rot 68:sc= -1.08! USER MOD Single : A 12 ASN : amide:sc= -0.272 K(o=-0.27,f=-3.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -21:sc= 0.51 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -159:sc= -0.246 (180deg=-0.934) USER MOD Single : A 28 ASN : amide:sc= -0.357 K(o=-0.36,f=-6.2!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 34 ASN : amide:sc= -2.4! C(o=-2.4!,f=-4.2!) USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0.883 (180deg=0.854) USER MOD Single : A 42 MET CE :methyl 147:sc= -2.03 (180deg=-3.57!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 71:sc= 0.411 USER MOD Single : A 59 MET CE :methyl 159:sc= -1.78 (180deg=-2.83!) USER MOD Single : A 60 TYR OH : rot 130:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.406 X(o=-0.41,f=-0.17) USER MOD Single : A 70 THR OG1 : rot -48:sc= 1.14 USER MOD Single : A 71 GLN : amide:sc= 0.329 K(o=0.33,f=-4.3!) USER MOD Single : A 76 MET CE :methyl -163:sc= -0.104 (180deg=-0.582) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -132:sc= -0.308 (180deg=-0.941) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 11 2.641 -16.488 -0.499 1.00 70.21 N ATOM 165 CA PRO A 11 3.758 -15.869 0.243 1.00 60.52 C ATOM 166 C PRO A 11 3.410 -15.587 1.719 1.00 21.51 C ATOM 167 O PRO A 11 2.316 -15.108 2.025 1.00 42.53 O ATOM 168 CB PRO A 11 4.011 -14.551 -0.516 1.00 14.53 C ATOM 169 CG PRO A 11 2.758 -14.299 -1.290 1.00 54.43 C ATOM 170 CD PRO A 11 2.214 -15.657 -1.642 1.00 15.44 C ATOM 0 HA PRO A 11 4.627 -16.526 0.283 1.00 60.52 H new ATOM 0 HB2 PRO A 11 4.219 -13.733 0.174 1.00 14.53 H new ATOM 0 HB3 PRO A 11 4.873 -14.637 -1.178 1.00 14.53 H new ATOM 0 HG2 PRO A 11 2.040 -13.732 -0.698 1.00 54.43 H new ATOM 0 HG3 PRO A 11 2.963 -13.715 -2.187 1.00 54.43 H new ATOM 0 HD2 PRO A 11 1.129 -15.643 -1.749 1.00 15.44 H new ATOM 0 HD3 PRO A 11 2.622 -16.024 -2.584 1.00 15.44 H new ATOM 178 N ASN A 12 4.344 -15.892 2.623 1.00 43.13 N ATOM 179 CA ASN A 12 4.148 -15.660 4.065 1.00 62.31 C ATOM 180 C ASN A 12 4.006 -14.163 4.387 1.00 5.04 C ATOM 181 O ASN A 12 4.244 -13.304 3.531 1.00 23.03 O ATOM 182 CB ASN A 12 5.316 -16.258 4.862 1.00 15.30 C ATOM 183 CG ASN A 12 5.422 -17.765 4.709 1.00 61.12 C ATOM 184 OD1 ASN A 12 5.064 -18.326 3.678 1.00 3.22 O ATOM 185 ND2 ASN A 12 5.914 -18.438 5.730 1.00 60.24 N ATOM 0 H ASN A 12 5.248 -16.302 2.386 1.00 43.13 H new ATOM 0 HA ASN A 12 3.220 -16.154 4.354 1.00 62.31 H new ATOM 0 HB2 ASN A 12 6.248 -15.798 4.533 1.00 15.30 H new ATOM 0 HB3 ASN A 12 5.194 -16.012 5.917 1.00 15.30 H new ATOM 0 HD21 ASN A 12 6.005 -19.452 5.676 1.00 60.24 H new ATOM 0 HD22 ASN A 12 6.203 -17.944 6.574 1.00 60.24 H new ATOM 192 N GLU A 13 3.641 -13.858 5.635 1.00 54.22 N ATOM 193 CA GLU A 13 3.378 -12.477 6.065 1.00 64.35 C ATOM 194 C GLU A 13 4.547 -11.529 5.747 1.00 44.11 C ATOM 195 O GLU A 13 4.380 -10.556 5.010 1.00 60.12 O ATOM 196 CB GLU A 13 3.080 -12.447 7.570 1.00 71.04 C ATOM 197 CG GLU A 13 2.903 -11.040 8.138 1.00 50.24 C ATOM 198 CD GLU A 13 2.694 -11.029 9.644 1.00 42.32 C ATOM 199 OE1 GLU A 13 3.483 -11.674 10.363 1.00 14.20 O ATOM 200 OE2 GLU A 13 1.748 -10.368 10.120 1.00 61.11 O ATOM 0 H GLU A 13 3.520 -14.553 6.372 1.00 54.22 H new ATOM 0 HA GLU A 13 2.512 -12.124 5.505 1.00 64.35 H new ATOM 0 HB2 GLU A 13 2.175 -13.023 7.763 1.00 71.04 H new ATOM 0 HB3 GLU A 13 3.892 -12.943 8.101 1.00 71.04 H new ATOM 0 HG2 GLU A 13 3.782 -10.443 7.894 1.00 50.24 H new ATOM 0 HG3 GLU A 13 2.050 -10.564 7.655 1.00 50.24 H new ATOM 207 N GLU A 14 5.731 -11.821 6.284 1.00 33.02 N ATOM 208 CA GLU A 14 6.898 -10.952 6.087 1.00 40.01 C ATOM 209 C GLU A 14 7.425 -11.000 4.641 1.00 2.33 C ATOM 210 O GLU A 14 8.013 -10.032 4.153 1.00 5.43 O ATOM 211 CB GLU A 14 8.015 -11.305 7.080 1.00 31.23 C ATOM 212 CG GLU A 14 7.632 -11.058 8.538 1.00 32.13 C ATOM 213 CD GLU A 14 8.819 -11.143 9.485 1.00 52.04 C ATOM 214 OE1 GLU A 14 9.549 -10.140 9.620 1.00 65.00 O ATOM 215 OE2 GLU A 14 9.031 -12.212 10.099 1.00 35.45 O ATOM 0 H GLU A 14 5.910 -12.646 6.856 1.00 33.02 H new ATOM 0 HA GLU A 14 6.569 -9.930 6.277 1.00 40.01 H new ATOM 0 HB2 GLU A 14 8.283 -12.354 6.955 1.00 31.23 H new ATOM 0 HB3 GLU A 14 8.902 -10.719 6.841 1.00 31.23 H new ATOM 0 HG2 GLU A 14 7.173 -10.073 8.626 1.00 32.13 H new ATOM 0 HG3 GLU A 14 6.880 -11.788 8.839 1.00 32.13 H new ATOM 222 N ALA A 15 7.216 -12.123 3.957 1.00 13.24 N ATOM 223 CA ALA A 15 7.606 -12.251 2.545 1.00 64.24 C ATOM 224 C ALA A 15 6.814 -11.281 1.650 1.00 12.12 C ATOM 225 O ALA A 15 7.389 -10.546 0.843 1.00 63.42 O ATOM 226 CB ALA A 15 7.405 -13.687 2.074 1.00 32.40 C ATOM 0 H ALA A 15 6.781 -12.957 4.351 1.00 13.24 H new ATOM 0 HA ALA A 15 8.661 -11.991 2.464 1.00 64.24 H new ATOM 0 HB1 ALA A 15 7.697 -13.771 1.027 1.00 32.40 H new ATOM 0 HB2 ALA A 15 8.019 -14.357 2.676 1.00 32.40 H new ATOM 0 HB3 ALA A 15 6.356 -13.962 2.181 1.00 32.40 H new ATOM 232 N ARG A 16 5.492 -11.292 1.799 1.00 63.11 N ATOM 233 CA ARG A 16 4.615 -10.380 1.059 1.00 14.44 C ATOM 234 C ARG A 16 4.729 -8.940 1.592 1.00 70.55 C ATOM 235 O ARG A 16 4.607 -7.976 0.836 1.00 14.13 O ATOM 236 CB ARG A 16 3.165 -10.881 1.117 1.00 13.34 C ATOM 237 CG ARG A 16 2.521 -10.797 2.499 1.00 3.25 C ATOM 238 CD ARG A 16 1.255 -11.642 2.586 1.00 4.14 C ATOM 239 NE ARG A 16 0.356 -11.419 1.453 1.00 51.22 N ATOM 240 CZ ARG A 16 -0.942 -11.376 1.551 1.00 61.21 C ATOM 241 NH1 ARG A 16 -1.521 -11.460 2.706 1.00 55.14 N ATOM 242 NH2 ARG A 16 -1.664 -11.242 0.488 1.00 73.32 N ATOM 0 H ARG A 16 4.999 -11.925 2.429 1.00 63.11 H new ATOM 0 HA ARG A 16 4.934 -10.364 0.017 1.00 14.44 H new ATOM 0 HB2 ARG A 16 2.565 -10.302 0.415 1.00 13.34 H new ATOM 0 HB3 ARG A 16 3.138 -11.917 0.780 1.00 13.34 H new ATOM 0 HG2 ARG A 16 3.234 -11.131 3.253 1.00 3.25 H new ATOM 0 HG3 ARG A 16 2.281 -9.758 2.726 1.00 3.25 H new ATOM 0 HD2 ARG A 16 1.528 -12.697 2.628 1.00 4.14 H new ATOM 0 HD3 ARG A 16 0.731 -11.411 3.513 1.00 4.14 H new ATOM 0 HE ARG A 16 0.771 -11.289 0.530 1.00 51.22 H new ATOM 0 HH11 ARG A 16 -0.960 -11.561 3.552 1.00 55.14 H new ATOM 0 HH12 ARG A 16 -2.538 -11.425 2.770 1.00 55.14 H new ATOM 0 HH21 ARG A 16 -1.217 -11.170 -0.426 1.00 73.32 H new ATOM 0 HH22 ARG A 16 -2.681 -11.208 0.563 1.00 73.32 H new ATOM 256 N LEU A 17 4.961 -8.802 2.900 1.00 53.21 N ATOM 257 CA LEU A 17 5.199 -7.489 3.515 1.00 65.21 C ATOM 258 C LEU A 17 6.448 -6.821 2.921 1.00 11.22 C ATOM 259 O LEU A 17 6.508 -5.598 2.776 1.00 33.41 O ATOM 260 CB LEU A 17 5.350 -7.642 5.036 1.00 12.32 C ATOM 261 CG LEU A 17 5.761 -6.375 5.808 1.00 13.23 C ATOM 262 CD1 LEU A 17 4.778 -5.234 5.560 1.00 35.12 C ATOM 263 CD2 LEU A 17 5.878 -6.674 7.301 1.00 60.43 C ATOM 0 H LEU A 17 4.990 -9.583 3.556 1.00 53.21 H new ATOM 0 HA LEU A 17 4.341 -6.850 3.304 1.00 65.21 H new ATOM 0 HB2 LEU A 17 4.402 -7.998 5.441 1.00 12.32 H new ATOM 0 HB3 LEU A 17 6.091 -8.418 5.231 1.00 12.32 H new ATOM 0 HG LEU A 17 6.737 -6.058 5.441 1.00 13.23 H new ATOM 0 HD11 LEU A 17 5.095 -4.353 6.118 1.00 35.12 H new ATOM 0 HD12 LEU A 17 4.754 -5.000 4.496 1.00 35.12 H new ATOM 0 HD13 LEU A 17 3.783 -5.533 5.889 1.00 35.12 H new ATOM 0 HD21 LEU A 17 6.169 -5.768 7.832 1.00 60.43 H new ATOM 0 HD22 LEU A 17 4.917 -7.023 7.679 1.00 60.43 H new ATOM 0 HD23 LEU A 17 6.632 -7.445 7.460 1.00 60.43 H new ATOM 275 N ASP A 18 7.438 -7.638 2.571 1.00 72.04 N ATOM 276 CA ASP A 18 8.656 -7.150 1.920 1.00 55.12 C ATOM 277 C ASP A 18 8.329 -6.405 0.612 1.00 33.12 C ATOM 278 O ASP A 18 8.966 -5.406 0.277 1.00 32.02 O ATOM 279 CB ASP A 18 9.598 -8.324 1.650 1.00 20.31 C ATOM 280 CG ASP A 18 10.896 -7.897 0.995 1.00 23.45 C ATOM 281 OD1 ASP A 18 11.704 -7.214 1.658 1.00 1.02 O ATOM 282 OD2 ASP A 18 11.123 -8.256 -0.180 1.00 35.01 O ATOM 0 H ASP A 18 7.422 -8.646 2.727 1.00 72.04 H new ATOM 0 HA ASP A 18 9.147 -6.442 2.587 1.00 55.12 H new ATOM 0 HB2 ASP A 18 9.820 -8.829 2.590 1.00 20.31 H new ATOM 0 HB3 ASP A 18 9.094 -9.048 1.010 1.00 20.31 H new ATOM 287 N ILE A 19 7.320 -6.893 -0.113 1.00 3.40 N ATOM 288 CA ILE A 19 6.838 -6.221 -1.325 1.00 40.13 C ATOM 289 C ILE A 19 6.418 -4.775 -1.008 1.00 71.10 C ATOM 290 O ILE A 19 6.839 -3.823 -1.671 1.00 63.42 O ATOM 291 CB ILE A 19 5.629 -6.978 -1.932 1.00 31.01 C ATOM 292 CG1 ILE A 19 5.980 -8.458 -2.165 1.00 52.21 C ATOM 293 CG2 ILE A 19 5.171 -6.321 -3.234 1.00 33.23 C ATOM 294 CD1 ILE A 19 4.800 -9.302 -2.602 1.00 54.42 C ATOM 0 H ILE A 19 6.820 -7.752 0.117 1.00 3.40 H new ATOM 0 HA ILE A 19 7.655 -6.214 -2.047 1.00 40.13 H new ATOM 0 HB ILE A 19 4.805 -6.927 -1.220 1.00 31.01 H new ATOM 0 HG12 ILE A 19 6.762 -8.522 -2.922 1.00 52.21 H new ATOM 0 HG13 ILE A 19 6.392 -8.874 -1.246 1.00 52.21 H new ATOM 0 HG21 ILE A 19 4.322 -6.871 -3.640 1.00 33.23 H new ATOM 0 HG22 ILE A 19 4.876 -5.290 -3.037 1.00 33.23 H new ATOM 0 HG23 ILE A 19 5.989 -6.333 -3.955 1.00 33.23 H new ATOM 0 HD11 ILE A 19 5.124 -10.333 -2.747 1.00 54.42 H new ATOM 0 HD12 ILE A 19 4.026 -9.269 -1.836 1.00 54.42 H new ATOM 0 HD13 ILE A 19 4.401 -8.912 -3.538 1.00 54.42 H new ATOM 306 N LEU A 20 5.596 -4.626 0.029 1.00 61.42 N ATOM 307 CA LEU A 20 5.141 -3.311 0.488 1.00 24.41 C ATOM 308 C LEU A 20 6.322 -2.438 0.948 1.00 21.35 C ATOM 309 O LEU A 20 6.332 -1.228 0.720 1.00 61.40 O ATOM 310 CB LEU A 20 4.114 -3.487 1.617 1.00 11.32 C ATOM 311 CG LEU A 20 2.789 -4.147 1.183 1.00 55.42 C ATOM 312 CD1 LEU A 20 1.944 -4.547 2.392 1.00 12.22 C ATOM 313 CD2 LEU A 20 2.004 -3.212 0.259 1.00 2.41 C ATOM 0 H LEU A 20 5.228 -5.406 0.573 1.00 61.42 H new ATOM 0 HA LEU A 20 4.666 -2.796 -0.347 1.00 24.41 H new ATOM 0 HB2 LEU A 20 4.562 -4.089 2.408 1.00 11.32 H new ATOM 0 HB3 LEU A 20 3.894 -2.509 2.046 1.00 11.32 H new ATOM 0 HG LEU A 20 3.031 -5.057 0.634 1.00 55.42 H new ATOM 0 HD11 LEU A 20 1.017 -5.009 2.051 1.00 12.22 H new ATOM 0 HD12 LEU A 20 2.499 -5.257 3.005 1.00 12.22 H new ATOM 0 HD13 LEU A 20 1.712 -3.661 2.983 1.00 12.22 H new ATOM 0 HD21 LEU A 20 1.072 -3.693 -0.038 1.00 2.41 H new ATOM 0 HD22 LEU A 20 1.782 -2.283 0.785 1.00 2.41 H new ATOM 0 HD23 LEU A 20 2.599 -2.994 -0.628 1.00 2.41 H new ATOM 325 N LYS A 21 7.321 -3.055 1.584 1.00 34.24 N ATOM 326 CA LYS A 21 8.553 -2.343 1.960 1.00 31.33 C ATOM 327 C LYS A 21 9.247 -1.747 0.718 1.00 1.44 C ATOM 328 O LYS A 21 9.573 -0.560 0.680 1.00 3.44 O ATOM 329 CB LYS A 21 9.525 -3.287 2.689 1.00 32.15 C ATOM 330 CG LYS A 21 9.018 -3.806 4.035 1.00 62.43 C ATOM 331 CD LYS A 21 9.962 -4.861 4.614 1.00 35.43 C ATOM 332 CE LYS A 21 9.477 -5.406 5.955 1.00 73.41 C ATOM 333 NZ LYS A 21 9.616 -4.411 7.053 1.00 13.21 N ATOM 0 H LYS A 21 7.305 -4.040 1.850 1.00 34.24 H new ATOM 0 HA LYS A 21 8.273 -1.530 2.631 1.00 31.33 H new ATOM 0 HB2 LYS A 21 9.737 -4.139 2.043 1.00 32.15 H new ATOM 0 HB3 LYS A 21 10.468 -2.764 2.848 1.00 32.15 H new ATOM 0 HG2 LYS A 21 8.923 -2.976 4.735 1.00 62.43 H new ATOM 0 HG3 LYS A 21 8.023 -4.234 3.911 1.00 62.43 H new ATOM 0 HD2 LYS A 21 10.061 -5.683 3.906 1.00 35.43 H new ATOM 0 HD3 LYS A 21 10.954 -4.427 4.739 1.00 35.43 H new ATOM 0 HE2 LYS A 21 8.432 -5.703 5.867 1.00 73.41 H new ATOM 0 HE3 LYS A 21 10.043 -6.303 6.206 1.00 73.41 H new ATOM 0 HZ1 LYS A 21 9.274 -4.826 7.943 1.00 13.21 H new ATOM 0 HZ2 LYS A 21 10.616 -4.146 7.156 1.00 13.21 H new ATOM 0 HZ3 LYS A 21 9.055 -3.565 6.828 1.00 13.21 H new ATOM 347 N ILE A 22 9.453 -2.585 -0.299 1.00 41.33 N ATOM 348 CA ILE A 22 10.112 -2.164 -1.545 1.00 52.23 C ATOM 349 C ILE A 22 9.379 -0.988 -2.221 1.00 13.53 C ATOM 350 O ILE A 22 10.008 -0.032 -2.676 1.00 70.23 O ATOM 351 CB ILE A 22 10.216 -3.347 -2.548 1.00 61.30 C ATOM 352 CG1 ILE A 22 11.042 -4.495 -1.941 1.00 52.21 C ATOM 353 CG2 ILE A 22 10.821 -2.891 -3.880 1.00 62.21 C ATOM 354 CD1 ILE A 22 11.127 -5.723 -2.825 1.00 64.23 C ATOM 0 H ILE A 22 9.173 -3.566 -0.288 1.00 41.33 H new ATOM 0 HA ILE A 22 11.113 -1.832 -1.268 1.00 52.23 H new ATOM 0 HB ILE A 22 9.208 -3.712 -2.747 1.00 61.30 H new ATOM 0 HG12 ILE A 22 12.051 -4.136 -1.737 1.00 52.21 H new ATOM 0 HG13 ILE A 22 10.604 -4.778 -0.984 1.00 52.21 H new ATOM 0 HG21 ILE A 22 10.881 -3.739 -4.562 1.00 62.21 H new ATOM 0 HG22 ILE A 22 10.192 -2.117 -4.319 1.00 62.21 H new ATOM 0 HG23 ILE A 22 11.821 -2.492 -3.708 1.00 62.21 H new ATOM 0 HD11 ILE A 22 11.725 -6.488 -2.329 1.00 64.23 H new ATOM 0 HD12 ILE A 22 10.124 -6.109 -3.009 1.00 64.23 H new ATOM 0 HD13 ILE A 22 11.593 -5.457 -3.774 1.00 64.23 H new ATOM 366 N HIS A 23 8.050 -1.063 -2.278 1.00 61.53 N ATOM 367 CA HIS A 23 7.248 -0.016 -2.928 1.00 12.30 C ATOM 368 C HIS A 23 7.142 1.258 -2.065 1.00 31.33 C ATOM 369 O HIS A 23 7.154 2.371 -2.588 1.00 64.01 O ATOM 370 CB HIS A 23 5.848 -0.543 -3.264 1.00 70.45 C ATOM 371 CG HIS A 23 5.851 -1.652 -4.274 1.00 34.24 C ATOM 372 ND1 HIS A 23 5.620 -2.981 -4.143 1.00 22.40 N flip ATOM 373 CD2 HIS A 23 6.131 -1.453 -5.607 1.00 33.24 C flip ATOM 374 CE1 HIS A 23 5.765 -3.546 -5.387 1.00 54.35 C flip ATOM 375 NE2 HIS A 23 6.072 -2.600 -6.248 1.00 62.15 N flip ATOM 0 H HIS A 23 7.505 -1.831 -1.886 1.00 61.53 H new ATOM 0 HA HIS A 23 7.762 0.255 -3.850 1.00 12.30 H new ATOM 0 HB2 HIS A 23 5.373 -0.897 -2.349 1.00 70.45 H new ATOM 0 HB3 HIS A 23 5.240 0.279 -3.641 1.00 70.45 H new ATOM 0 HD2 HIS A 23 6.364 -0.500 -6.058 1.00 33.24 H new ATOM 0 HE1 HIS A 23 5.646 -4.594 -5.620 1.00 54.35 H new ATOM 0 HE2 HIS A 23 6.237 -2.734 -7.246 1.00 62.15 H new ATOM 384 N SER A 24 7.043 1.095 -0.748 1.00 44.44 N ATOM 385 CA SER A 24 6.915 2.245 0.163 1.00 2.24 C ATOM 386 C SER A 24 8.208 3.076 0.205 1.00 53.21 C ATOM 387 O SER A 24 8.170 4.299 0.342 1.00 55.03 O ATOM 388 CB SER A 24 6.554 1.779 1.577 1.00 42.51 C ATOM 389 OG SER A 24 7.577 0.967 2.125 1.00 61.42 O ATOM 0 H SER A 24 7.048 0.187 -0.284 1.00 44.44 H new ATOM 0 HA SER A 24 6.113 2.876 -0.221 1.00 2.24 H new ATOM 0 HB2 SER A 24 6.391 2.645 2.218 1.00 42.51 H new ATOM 0 HB3 SER A 24 5.618 1.221 1.551 1.00 42.51 H new ATOM 0 HG SER A 24 8.123 0.596 1.401 1.00 61.42 H new ATOM 395 N ARG A 25 9.354 2.403 0.083 1.00 71.13 N ATOM 396 CA ARG A 25 10.660 3.083 0.009 1.00 11.10 C ATOM 397 C ARG A 25 10.775 3.957 -1.253 1.00 52.02 C ATOM 398 O ARG A 25 11.648 4.821 -1.348 1.00 40.24 O ATOM 399 CB ARG A 25 11.794 2.043 0.047 1.00 44.44 C ATOM 400 CG ARG A 25 11.917 1.328 1.391 1.00 22.22 C ATOM 401 CD ARG A 25 12.869 0.135 1.323 1.00 4.11 C ATOM 402 NE ARG A 25 14.217 0.513 0.893 1.00 35.12 N ATOM 403 CZ ARG A 25 15.292 -0.189 1.135 1.00 71.04 C ATOM 404 NH1 ARG A 25 15.249 -1.233 1.895 1.00 3.41 N ATOM 405 NH2 ARG A 25 16.424 0.188 0.648 1.00 50.13 N ATOM 0 H ARG A 25 9.410 1.386 0.033 1.00 71.13 H new ATOM 0 HA ARG A 25 10.746 3.743 0.872 1.00 11.10 H new ATOM 0 HB2 ARG A 25 11.625 1.303 -0.735 1.00 44.44 H new ATOM 0 HB3 ARG A 25 12.738 2.538 -0.181 1.00 44.44 H new ATOM 0 HG2 ARG A 25 12.272 2.032 2.144 1.00 22.22 H new ATOM 0 HG3 ARG A 25 10.932 0.988 1.711 1.00 22.22 H new ATOM 0 HD2 ARG A 25 12.924 -0.338 2.304 1.00 4.11 H new ATOM 0 HD3 ARG A 25 12.467 -0.607 0.634 1.00 4.11 H new ATOM 0 HE ARG A 25 14.324 1.382 0.370 1.00 35.12 H new ATOM 0 HH11 ARG A 25 14.366 -1.521 2.317 1.00 3.41 H new ATOM 0 HH12 ARG A 25 16.098 -1.769 2.073 1.00 3.41 H new ATOM 0 HH21 ARG A 25 16.478 1.031 0.076 1.00 50.13 H new ATOM 0 HH22 ARG A 25 17.266 -0.357 0.834 1.00 50.13 H new ATOM 419 N LYS A 26 9.879 3.734 -2.212 1.00 20.41 N ATOM 420 CA LYS A 26 9.855 4.511 -3.459 1.00 64.34 C ATOM 421 C LYS A 26 9.063 5.824 -3.315 1.00 23.15 C ATOM 422 O LYS A 26 9.034 6.636 -4.239 1.00 23.02 O ATOM 423 CB LYS A 26 9.241 3.669 -4.588 1.00 64.35 C ATOM 424 CG LYS A 26 10.086 2.467 -4.999 1.00 12.11 C ATOM 425 CD LYS A 26 11.381 2.889 -5.691 1.00 31.01 C ATOM 426 CE LYS A 26 11.105 3.627 -6.996 1.00 35.33 C ATOM 427 NZ LYS A 26 12.359 4.046 -7.672 1.00 43.20 N ATOM 0 H LYS A 26 9.154 3.019 -2.153 1.00 20.41 H new ATOM 0 HA LYS A 26 10.887 4.769 -3.697 1.00 64.34 H new ATOM 0 HB2 LYS A 26 8.259 3.318 -4.272 1.00 64.35 H new ATOM 0 HB3 LYS A 26 9.087 4.306 -5.459 1.00 64.35 H new ATOM 0 HG2 LYS A 26 10.323 1.872 -4.117 1.00 12.11 H new ATOM 0 HG3 LYS A 26 9.508 1.829 -5.668 1.00 12.11 H new ATOM 0 HD2 LYS A 26 11.958 3.530 -5.025 1.00 31.01 H new ATOM 0 HD3 LYS A 26 11.990 2.008 -5.892 1.00 31.01 H new ATOM 0 HE2 LYS A 26 10.531 2.983 -7.663 1.00 35.33 H new ATOM 0 HE3 LYS A 26 10.491 4.505 -6.794 1.00 35.33 H new ATOM 0 HZ1 LYS A 26 12.128 4.544 -8.555 1.00 43.20 H new ATOM 0 HZ2 LYS A 26 12.895 4.681 -7.047 1.00 43.20 H new ATOM 0 HZ3 LYS A 26 12.934 3.207 -7.888 1.00 43.20 H new ATOM 441 N MET A 27 8.419 6.024 -2.164 1.00 13.44 N ATOM 442 CA MET A 27 7.573 7.210 -1.937 1.00 23.31 C ATOM 443 C MET A 27 7.810 7.825 -0.549 1.00 64.20 C ATOM 444 O MET A 27 8.443 7.221 0.318 1.00 14.33 O ATOM 445 CB MET A 27 6.086 6.835 -2.075 1.00 4.34 C ATOM 446 CG MET A 27 5.702 6.295 -3.447 1.00 5.43 C ATOM 447 SD MET A 27 3.961 5.817 -3.543 1.00 33.31 S ATOM 448 CE MET A 27 3.883 4.560 -2.268 1.00 35.11 C ATOM 0 H MET A 27 8.463 5.384 -1.371 1.00 13.44 H new ATOM 0 HA MET A 27 7.844 7.950 -2.690 1.00 23.31 H new ATOM 0 HB2 MET A 27 5.840 6.087 -1.321 1.00 4.34 H new ATOM 0 HB3 MET A 27 5.480 7.715 -1.861 1.00 4.34 H new ATOM 0 HG2 MET A 27 5.909 7.053 -4.203 1.00 5.43 H new ATOM 0 HG3 MET A 27 6.325 5.432 -3.681 1.00 5.43 H new ATOM 0 HE1 MET A 27 3.019 3.919 -2.442 1.00 35.11 H new ATOM 0 HE2 MET A 27 4.792 3.959 -2.293 1.00 35.11 H new ATOM 0 HE3 MET A 27 3.790 5.037 -1.292 1.00 35.11 H new ATOM 458 N ASN A 28 7.298 9.036 -0.347 1.00 71.35 N ATOM 459 CA ASN A 28 7.326 9.688 0.966 1.00 53.00 C ATOM 460 C ASN A 28 6.177 9.143 1.832 1.00 60.13 C ATOM 461 O ASN A 28 5.072 8.934 1.335 1.00 62.22 O ATOM 462 CB ASN A 28 7.205 11.211 0.788 1.00 23.13 C ATOM 463 CG ASN A 28 7.567 11.997 2.038 1.00 1.20 C ATOM 464 OD1 ASN A 28 7.385 11.539 3.160 1.00 61.11 O ATOM 465 ND2 ASN A 28 8.082 13.196 1.850 1.00 44.15 N ATOM 0 H ASN A 28 6.855 9.592 -1.079 1.00 71.35 H new ATOM 0 HA ASN A 28 8.270 9.474 1.467 1.00 53.00 H new ATOM 0 HB2 ASN A 28 7.853 11.526 -0.030 1.00 23.13 H new ATOM 0 HB3 ASN A 28 6.183 11.455 0.498 1.00 23.13 H new ATOM 0 HD21 ASN A 28 8.341 13.771 2.652 1.00 44.15 H new ATOM 0 HD22 ASN A 28 8.221 13.549 0.903 1.00 44.15 H new ATOM 472 N LEU A 29 6.427 8.917 3.121 1.00 15.34 N ATOM 473 CA LEU A 29 5.442 8.252 3.990 1.00 34.31 C ATOM 474 C LEU A 29 5.042 9.117 5.194 1.00 52.41 C ATOM 475 O LEU A 29 5.694 10.113 5.512 1.00 1.41 O ATOM 476 CB LEU A 29 6.000 6.912 4.492 1.00 41.20 C ATOM 477 CG LEU A 29 6.327 5.877 3.402 1.00 14.33 C ATOM 478 CD1 LEU A 29 6.899 4.606 4.025 1.00 33.51 C ATOM 479 CD2 LEU A 29 5.087 5.559 2.566 1.00 13.54 C ATOM 0 H LEU A 29 7.294 9.180 3.589 1.00 15.34 H new ATOM 0 HA LEU A 29 4.549 8.087 3.387 1.00 34.31 H new ATOM 0 HB2 LEU A 29 6.906 7.108 5.065 1.00 41.20 H new ATOM 0 HB3 LEU A 29 5.277 6.473 5.180 1.00 41.20 H new ATOM 0 HG LEU A 29 7.081 6.304 2.740 1.00 14.33 H new ATOM 0 HD11 LEU A 29 7.124 3.885 3.239 1.00 33.51 H new ATOM 0 HD12 LEU A 29 7.812 4.847 4.569 1.00 33.51 H new ATOM 0 HD13 LEU A 29 6.169 4.177 4.712 1.00 33.51 H new ATOM 0 HD21 LEU A 29 5.342 4.825 1.802 1.00 13.54 H new ATOM 0 HD22 LEU A 29 4.307 5.155 3.211 1.00 13.54 H new ATOM 0 HD23 LEU A 29 4.727 6.470 2.088 1.00 13.54 H new ATOM 491 N THR A 30 3.951 8.726 5.853 1.00 43.21 N ATOM 492 CA THR A 30 3.491 9.397 7.082 1.00 13.30 C ATOM 493 C THR A 30 4.304 8.945 8.307 1.00 35.24 C ATOM 494 O THR A 30 5.205 8.111 8.199 1.00 43.31 O ATOM 495 CB THR A 30 1.987 9.124 7.349 1.00 33.41 C ATOM 496 OG1 THR A 30 1.546 9.827 8.523 1.00 32.43 O ATOM 497 CG2 THR A 30 1.718 7.634 7.526 1.00 52.13 C ATOM 0 H THR A 30 3.363 7.946 5.560 1.00 43.21 H new ATOM 0 HA THR A 30 3.640 10.466 6.926 1.00 13.30 H new ATOM 0 HB THR A 30 1.432 9.481 6.481 1.00 33.41 H new ATOM 0 HG1 THR A 30 0.595 9.645 8.675 1.00 32.43 H new ATOM 0 HG21 THR A 30 0.656 7.476 7.712 1.00 52.13 H new ATOM 0 HG22 THR A 30 2.012 7.101 6.622 1.00 52.13 H new ATOM 0 HG23 THR A 30 2.294 7.258 8.372 1.00 52.13 H new ATOM 505 N ARG A 31 3.976 9.496 9.472 1.00 35.11 N ATOM 506 CA ARG A 31 4.678 9.163 10.717 1.00 43.14 C ATOM 507 C ARG A 31 4.050 7.947 11.419 1.00 54.44 C ATOM 508 O ARG A 31 2.925 8.018 11.919 1.00 62.31 O ATOM 509 CB ARG A 31 4.681 10.375 11.663 1.00 44.25 C ATOM 510 CG ARG A 31 5.445 11.581 11.122 1.00 31.23 C ATOM 511 CD ARG A 31 6.903 11.236 10.829 1.00 62.24 C ATOM 512 NE ARG A 31 7.565 10.652 11.993 1.00 45.32 N ATOM 513 CZ ARG A 31 8.786 10.192 11.996 1.00 51.33 C ATOM 514 NH1 ARG A 31 9.517 10.223 10.924 1.00 32.13 N ATOM 515 NH2 ARG A 31 9.267 9.682 13.081 1.00 73.50 N ATOM 0 H ARG A 31 3.226 10.178 9.584 1.00 35.11 H new ATOM 0 HA ARG A 31 5.704 8.902 10.458 1.00 43.14 H new ATOM 0 HB2 ARG A 31 3.651 10.670 11.863 1.00 44.25 H new ATOM 0 HB3 ARG A 31 5.118 10.078 12.616 1.00 44.25 H new ATOM 0 HG2 ARG A 31 4.965 11.938 10.211 1.00 31.23 H new ATOM 0 HG3 ARG A 31 5.401 12.395 11.846 1.00 31.23 H new ATOM 0 HD2 ARG A 31 6.951 10.537 9.994 1.00 62.24 H new ATOM 0 HD3 ARG A 31 7.435 12.136 10.521 1.00 62.24 H new ATOM 0 HE ARG A 31 7.036 10.600 12.864 1.00 45.32 H new ATOM 0 HH11 ARG A 31 9.139 10.612 10.060 1.00 32.13 H new ATOM 0 HH12 ARG A 31 10.469 9.859 10.946 1.00 32.13 H new ATOM 0 HH21 ARG A 31 8.694 9.642 13.924 1.00 73.50 H new ATOM 0 HH22 ARG A 31 10.220 9.319 13.095 1.00 73.50 H new ATOM 529 N GLY A 32 4.788 6.836 11.461 1.00 64.45 N ATOM 530 CA GLY A 32 4.296 5.620 12.110 1.00 41.02 C ATOM 531 C GLY A 32 3.340 4.819 11.232 1.00 53.40 C ATOM 532 O GLY A 32 2.237 4.465 11.656 1.00 64.22 O ATOM 0 H GLY A 32 5.721 6.753 11.057 1.00 64.45 H new ATOM 0 HA2 GLY A 32 5.144 4.991 12.381 1.00 41.02 H new ATOM 0 HA3 GLY A 32 3.790 5.889 13.037 1.00 41.02 H new ATOM 536 N ILE A 33 3.762 4.534 10.004 1.00 20.32 N ATOM 537 CA ILE A 33 2.939 3.774 9.055 1.00 24.14 C ATOM 538 C ILE A 33 3.152 2.255 9.216 1.00 20.32 C ATOM 539 O ILE A 33 4.288 1.776 9.281 1.00 34.23 O ATOM 540 CB ILE A 33 3.239 4.207 7.593 1.00 70.10 C ATOM 541 CG1 ILE A 33 2.337 3.450 6.604 1.00 72.55 C ATOM 542 CG2 ILE A 33 4.716 4.000 7.256 1.00 4.10 C ATOM 543 CD1 ILE A 33 2.510 3.883 5.163 1.00 13.21 C ATOM 0 H ILE A 33 4.671 4.817 9.637 1.00 20.32 H new ATOM 0 HA ILE A 33 1.895 3.995 9.277 1.00 24.14 H new ATOM 0 HB ILE A 33 3.020 5.271 7.502 1.00 70.10 H new ATOM 0 HG12 ILE A 33 2.546 2.383 6.680 1.00 72.55 H new ATOM 0 HG13 ILE A 33 1.296 3.593 6.894 1.00 72.55 H new ATOM 0 HG21 ILE A 33 4.901 4.310 6.228 1.00 4.10 H new ATOM 0 HG22 ILE A 33 5.330 4.596 7.931 1.00 4.10 H new ATOM 0 HG23 ILE A 33 4.971 2.946 7.369 1.00 4.10 H new ATOM 0 HD11 ILE A 33 1.841 3.304 4.526 1.00 13.21 H new ATOM 0 HD12 ILE A 33 2.272 4.943 5.071 1.00 13.21 H new ATOM 0 HD13 ILE A 33 3.541 3.714 4.854 1.00 13.21 H new ATOM 555 N ASN A 34 2.055 1.501 9.286 1.00 64.12 N ATOM 556 CA ASN A 34 2.124 0.050 9.500 1.00 74.02 C ATOM 557 C ASN A 34 1.637 -0.729 8.266 1.00 54.32 C ATOM 558 O ASN A 34 0.454 -1.050 8.137 1.00 22.30 O ATOM 559 CB ASN A 34 1.307 -0.339 10.740 1.00 44.11 C ATOM 560 CG ASN A 34 1.363 -1.825 11.039 1.00 3.52 C ATOM 561 OD1 ASN A 34 2.339 -2.500 10.735 1.00 65.32 O ATOM 562 ND2 ASN A 34 0.312 -2.347 11.635 1.00 21.12 N ATOM 0 H ASN A 34 1.107 1.868 9.198 1.00 64.12 H new ATOM 0 HA ASN A 34 3.168 -0.216 9.663 1.00 74.02 H new ATOM 0 HB2 ASN A 34 1.678 0.215 11.602 1.00 44.11 H new ATOM 0 HB3 ASN A 34 0.269 -0.042 10.593 1.00 44.11 H new ATOM 0 HD21 ASN A 34 0.294 -3.342 11.857 1.00 21.12 H new ATOM 0 HD22 ASN A 34 -0.484 -1.756 11.874 1.00 21.12 H new ATOM 569 N LEU A 35 2.567 -1.034 7.365 1.00 22.42 N ATOM 570 CA LEU A 35 2.257 -1.782 6.142 1.00 60.32 C ATOM 571 C LEU A 35 1.801 -3.214 6.467 1.00 34.35 C ATOM 572 O LEU A 35 1.035 -3.821 5.719 1.00 22.44 O ATOM 573 CB LEU A 35 3.493 -1.826 5.233 1.00 45.43 C ATOM 574 CG LEU A 35 4.053 -0.457 4.812 1.00 42.30 C ATOM 575 CD1 LEU A 35 5.368 -0.625 4.051 1.00 33.55 C ATOM 576 CD2 LEU A 35 3.033 0.306 3.967 1.00 3.45 C ATOM 0 H LEU A 35 3.549 -0.774 7.457 1.00 22.42 H new ATOM 0 HA LEU A 35 1.441 -1.272 5.629 1.00 60.32 H new ATOM 0 HB2 LEU A 35 4.280 -2.379 5.745 1.00 45.43 H new ATOM 0 HB3 LEU A 35 3.242 -2.389 4.334 1.00 45.43 H new ATOM 0 HG LEU A 35 4.251 0.124 5.713 1.00 42.30 H new ATOM 0 HD11 LEU A 35 5.749 0.355 3.762 1.00 33.55 H new ATOM 0 HD12 LEU A 35 6.097 -1.123 4.690 1.00 33.55 H new ATOM 0 HD13 LEU A 35 5.197 -1.226 3.158 1.00 33.55 H new ATOM 0 HD21 LEU A 35 3.448 1.272 3.679 1.00 3.45 H new ATOM 0 HD22 LEU A 35 2.799 -0.270 3.071 1.00 3.45 H new ATOM 0 HD23 LEU A 35 2.123 0.461 4.547 1.00 3.45 H new ATOM 588 N ARG A 36 2.282 -3.741 7.591 1.00 33.31 N ATOM 589 CA ARG A 36 1.933 -5.095 8.033 1.00 61.13 C ATOM 590 C ARG A 36 0.409 -5.253 8.175 1.00 25.13 C ATOM 591 O ARG A 36 -0.172 -6.240 7.720 1.00 3.24 O ATOM 592 CB ARG A 36 2.637 -5.387 9.366 1.00 41.52 C ATOM 593 CG ARG A 36 2.719 -6.866 9.733 1.00 71.11 C ATOM 594 CD ARG A 36 3.553 -7.077 10.996 1.00 24.42 C ATOM 595 NE ARG A 36 3.828 -8.488 11.251 1.00 70.15 N ATOM 596 CZ ARG A 36 4.883 -8.928 11.883 1.00 3.23 C ATOM 597 NH1 ARG A 36 5.752 -8.106 12.377 1.00 64.31 N ATOM 598 NH2 ARG A 36 5.069 -10.197 12.027 1.00 1.15 N ATOM 0 H ARG A 36 2.919 -3.249 8.218 1.00 33.31 H new ATOM 0 HA ARG A 36 2.267 -5.812 7.283 1.00 61.13 H new ATOM 0 HB2 ARG A 36 3.647 -4.980 9.324 1.00 41.52 H new ATOM 0 HB3 ARG A 36 2.113 -4.858 10.162 1.00 41.52 H new ATOM 0 HG2 ARG A 36 1.715 -7.261 9.887 1.00 71.11 H new ATOM 0 HG3 ARG A 36 3.158 -7.425 8.907 1.00 71.11 H new ATOM 0 HD2 ARG A 36 4.495 -6.537 10.901 1.00 24.42 H new ATOM 0 HD3 ARG A 36 3.027 -6.652 11.851 1.00 24.42 H new ATOM 0 HE ARG A 36 3.153 -9.174 10.914 1.00 70.15 H new ATOM 0 HH11 ARG A 36 5.618 -7.100 12.275 1.00 64.31 H new ATOM 0 HH12 ARG A 36 6.571 -8.464 12.868 1.00 64.31 H new ATOM 0 HH21 ARG A 36 4.392 -10.858 11.647 1.00 1.15 H new ATOM 0 HH22 ARG A 36 5.893 -10.539 12.521 1.00 1.15 H new ATOM 612 N LYS A 37 -0.226 -4.254 8.790 1.00 15.21 N ATOM 613 CA LYS A 37 -1.687 -4.224 8.944 1.00 21.34 C ATOM 614 C LYS A 37 -2.389 -4.242 7.576 1.00 5.12 C ATOM 615 O LYS A 37 -3.439 -4.864 7.408 1.00 61.24 O ATOM 616 CB LYS A 37 -2.091 -2.976 9.751 1.00 14.21 C ATOM 617 CG LYS A 37 -3.591 -2.812 10.006 1.00 24.15 C ATOM 618 CD LYS A 37 -4.266 -1.936 8.949 1.00 10.41 C ATOM 619 CE LYS A 37 -5.674 -1.545 9.374 1.00 70.40 C ATOM 620 NZ LYS A 37 -6.321 -0.628 8.402 1.00 22.13 N ATOM 0 H LYS A 37 0.251 -3.447 9.194 1.00 15.21 H new ATOM 0 HA LYS A 37 -2.003 -5.117 9.484 1.00 21.34 H new ATOM 0 HB2 LYS A 37 -1.578 -3.005 10.712 1.00 14.21 H new ATOM 0 HB3 LYS A 37 -1.731 -2.092 9.224 1.00 14.21 H new ATOM 0 HG2 LYS A 37 -4.065 -3.794 10.018 1.00 24.15 H new ATOM 0 HG3 LYS A 37 -3.744 -2.372 10.991 1.00 24.15 H new ATOM 0 HD2 LYS A 37 -3.671 -1.038 8.784 1.00 10.41 H new ATOM 0 HD3 LYS A 37 -4.305 -2.472 8.000 1.00 10.41 H new ATOM 0 HE2 LYS A 37 -6.281 -2.444 9.482 1.00 70.40 H new ATOM 0 HE3 LYS A 37 -5.636 -1.066 10.352 1.00 70.40 H new ATOM 0 HZ1 LYS A 37 -7.320 -0.497 8.660 1.00 22.13 H new ATOM 0 HZ2 LYS A 37 -5.836 0.292 8.417 1.00 22.13 H new ATOM 0 HZ3 LYS A 37 -6.261 -1.036 7.447 1.00 22.13 H new ATOM 634 N ILE A 38 -1.798 -3.553 6.602 1.00 33.22 N ATOM 635 CA ILE A 38 -2.325 -3.533 5.233 1.00 35.13 C ATOM 636 C ILE A 38 -2.265 -4.936 4.601 1.00 11.40 C ATOM 637 O ILE A 38 -3.234 -5.403 4.001 1.00 51.11 O ATOM 638 CB ILE A 38 -1.538 -2.533 4.347 1.00 73.22 C ATOM 639 CG1 ILE A 38 -1.511 -1.137 5.000 1.00 41.35 C ATOM 640 CG2 ILE A 38 -2.134 -2.465 2.941 1.00 12.30 C ATOM 641 CD1 ILE A 38 -2.883 -0.534 5.233 1.00 12.21 C ATOM 0 H ILE A 38 -0.952 -2.999 6.733 1.00 33.22 H new ATOM 0 HA ILE A 38 -3.365 -3.212 5.289 1.00 35.13 H new ATOM 0 HB ILE A 38 -0.512 -2.889 4.259 1.00 73.22 H new ATOM 0 HG12 ILE A 38 -0.989 -1.205 5.955 1.00 41.35 H new ATOM 0 HG13 ILE A 38 -0.933 -0.463 4.368 1.00 41.35 H new ATOM 0 HG21 ILE A 38 -1.565 -1.757 2.338 1.00 12.30 H new ATOM 0 HG22 ILE A 38 -2.091 -3.451 2.479 1.00 12.30 H new ATOM 0 HG23 ILE A 38 -3.172 -2.138 3.001 1.00 12.30 H new ATOM 0 HD11 ILE A 38 -2.775 0.447 5.695 1.00 12.21 H new ATOM 0 HD12 ILE A 38 -3.402 -0.431 4.280 1.00 12.21 H new ATOM 0 HD13 ILE A 38 -3.459 -1.184 5.892 1.00 12.21 H new ATOM 653 N ALA A 39 -1.123 -5.607 4.759 1.00 33.33 N ATOM 654 CA ALA A 39 -0.926 -6.963 4.223 1.00 14.43 C ATOM 655 C ALA A 39 -1.904 -7.979 4.841 1.00 63.10 C ATOM 656 O ALA A 39 -2.347 -8.918 4.171 1.00 44.22 O ATOM 657 CB ALA A 39 0.514 -7.411 4.451 1.00 15.15 C ATOM 0 H ALA A 39 -0.314 -5.235 5.256 1.00 33.33 H new ATOM 0 HA ALA A 39 -1.131 -6.926 3.153 1.00 14.43 H new ATOM 0 HB1 ALA A 39 0.650 -8.416 4.051 1.00 15.15 H new ATOM 0 HB2 ALA A 39 1.193 -6.724 3.946 1.00 15.15 H new ATOM 0 HB3 ALA A 39 0.729 -7.414 5.520 1.00 15.15 H new ATOM 663 N GLU A 40 -2.234 -7.791 6.119 1.00 4.34 N ATOM 664 CA GLU A 40 -3.183 -8.670 6.816 1.00 55.22 C ATOM 665 C GLU A 40 -4.585 -8.613 6.185 1.00 53.42 C ATOM 666 O GLU A 40 -5.319 -9.603 6.190 1.00 32.24 O ATOM 667 CB GLU A 40 -3.269 -8.292 8.303 1.00 21.44 C ATOM 668 CG GLU A 40 -1.954 -8.454 9.056 1.00 44.23 C ATOM 669 CD GLU A 40 -2.077 -8.125 10.536 1.00 3.34 C ATOM 670 OE1 GLU A 40 -1.927 -6.942 10.911 1.00 65.33 O ATOM 671 OE2 GLU A 40 -2.306 -9.055 11.340 1.00 33.01 O ATOM 0 H GLU A 40 -1.860 -7.038 6.696 1.00 4.34 H new ATOM 0 HA GLU A 40 -2.811 -9.690 6.720 1.00 55.22 H new ATOM 0 HB2 GLU A 40 -3.600 -7.257 8.387 1.00 21.44 H new ATOM 0 HB3 GLU A 40 -4.029 -8.909 8.782 1.00 21.44 H new ATOM 0 HG2 GLU A 40 -1.601 -9.479 8.945 1.00 44.23 H new ATOM 0 HG3 GLU A 40 -1.201 -7.807 8.606 1.00 44.23 H new ATOM 678 N LEU A 41 -4.944 -7.453 5.631 1.00 73.21 N ATOM 679 CA LEU A 41 -6.256 -7.260 4.994 1.00 13.24 C ATOM 680 C LEU A 41 -6.267 -7.768 3.542 1.00 62.43 C ATOM 681 O LEU A 41 -7.244 -7.577 2.815 1.00 54.52 O ATOM 682 CB LEU A 41 -6.637 -5.771 5.030 1.00 24.45 C ATOM 683 CG LEU A 41 -6.683 -5.133 6.430 1.00 10.23 C ATOM 684 CD1 LEU A 41 -7.019 -3.646 6.336 1.00 42.54 C ATOM 685 CD2 LEU A 41 -7.682 -5.861 7.329 1.00 21.24 C ATOM 0 H LEU A 41 -4.345 -6.628 5.609 1.00 73.21 H new ATOM 0 HA LEU A 41 -6.988 -7.843 5.554 1.00 13.24 H new ATOM 0 HB2 LEU A 41 -5.924 -5.216 4.420 1.00 24.45 H new ATOM 0 HB3 LEU A 41 -7.615 -5.653 4.563 1.00 24.45 H new ATOM 0 HG LEU A 41 -5.694 -5.230 6.879 1.00 10.23 H new ATOM 0 HD11 LEU A 41 -7.046 -3.215 7.337 1.00 42.54 H new ATOM 0 HD12 LEU A 41 -6.259 -3.138 5.743 1.00 42.54 H new ATOM 0 HD13 LEU A 41 -7.992 -3.522 5.861 1.00 42.54 H new ATOM 0 HD21 LEU A 41 -7.696 -5.391 8.312 1.00 21.24 H new ATOM 0 HD22 LEU A 41 -8.677 -5.806 6.887 1.00 21.24 H new ATOM 0 HD23 LEU A 41 -7.387 -6.905 7.430 1.00 21.24 H new ATOM 697 N MET A 42 -5.185 -8.429 3.133 1.00 11.24 N ATOM 698 CA MET A 42 -5.047 -8.954 1.768 1.00 40.33 C ATOM 699 C MET A 42 -5.016 -10.498 1.763 1.00 50.04 C ATOM 700 O MET A 42 -3.943 -11.097 1.773 1.00 72.32 O ATOM 701 CB MET A 42 -3.757 -8.398 1.140 1.00 32.51 C ATOM 702 CG MET A 42 -3.713 -6.874 1.075 1.00 21.30 C ATOM 703 SD MET A 42 -4.701 -6.202 -0.277 1.00 75.03 S ATOM 704 CE MET A 42 -3.689 -6.656 -1.681 1.00 44.13 C ATOM 0 H MET A 42 -4.381 -8.617 3.732 1.00 11.24 H new ATOM 0 HA MET A 42 -5.910 -8.637 1.183 1.00 40.33 H new ATOM 0 HB2 MET A 42 -2.902 -8.753 1.715 1.00 32.51 H new ATOM 0 HB3 MET A 42 -3.652 -8.799 0.132 1.00 32.51 H new ATOM 0 HG2 MET A 42 -4.072 -6.464 2.019 1.00 21.30 H new ATOM 0 HG3 MET A 42 -2.679 -6.550 0.959 1.00 21.30 H new ATOM 0 HE1 MET A 42 -4.329 -6.867 -2.538 1.00 44.13 H new ATOM 0 HE2 MET A 42 -3.015 -5.835 -1.925 1.00 44.13 H new ATOM 0 HE3 MET A 42 -3.105 -7.544 -1.437 1.00 44.13 H new ATOM 714 N PRO A 43 -6.187 -11.173 1.772 1.00 75.42 N ATOM 715 CA PRO A 43 -6.254 -12.649 1.788 1.00 62.24 C ATOM 716 C PRO A 43 -5.619 -13.318 0.546 1.00 33.14 C ATOM 717 O PRO A 43 -4.473 -13.776 0.600 1.00 31.51 O ATOM 718 CB PRO A 43 -7.761 -12.951 1.872 1.00 75.20 C ATOM 719 CG PRO A 43 -8.388 -11.681 2.344 1.00 42.43 C ATOM 720 CD PRO A 43 -7.527 -10.566 1.812 1.00 14.24 C ATOM 0 HA PRO A 43 -5.680 -13.055 2.621 1.00 62.24 H new ATOM 0 HB2 PRO A 43 -8.158 -13.249 0.902 1.00 75.20 H new ATOM 0 HB3 PRO A 43 -7.961 -13.770 2.563 1.00 75.20 H new ATOM 0 HG2 PRO A 43 -9.411 -11.592 1.978 1.00 42.43 H new ATOM 0 HG3 PRO A 43 -8.435 -11.651 3.433 1.00 42.43 H new ATOM 0 HD2 PRO A 43 -7.853 -10.241 0.824 1.00 14.24 H new ATOM 0 HD3 PRO A 43 -7.554 -9.690 2.461 1.00 14.24 H new ATOM 728 N GLY A 44 -6.347 -13.367 -0.577 1.00 12.12 N ATOM 729 CA GLY A 44 -5.829 -14.021 -1.782 1.00 34.11 C ATOM 730 C GLY A 44 -5.099 -13.057 -2.710 1.00 50.24 C ATOM 731 O GLY A 44 -5.481 -12.880 -3.869 1.00 51.54 O ATOM 0 H GLY A 44 -7.281 -12.968 -0.675 1.00 12.12 H new ATOM 0 HA2 GLY A 44 -5.150 -14.823 -1.491 1.00 34.11 H new ATOM 0 HA3 GLY A 44 -6.655 -14.483 -2.323 1.00 34.11 H new ATOM 735 N ALA A 45 -4.032 -12.443 -2.207 1.00 34.20 N ATOM 736 CA ALA A 45 -3.321 -11.400 -2.952 1.00 53.33 C ATOM 737 C ALA A 45 -1.818 -11.692 -3.099 1.00 65.04 C ATOM 738 O ALA A 45 -1.085 -11.773 -2.107 1.00 14.43 O ATOM 739 CB ALA A 45 -3.530 -10.057 -2.269 1.00 64.14 C ATOM 0 H ALA A 45 -3.638 -12.647 -1.288 1.00 34.20 H new ATOM 0 HA ALA A 45 -3.736 -11.378 -3.960 1.00 53.33 H new ATOM 0 HB1 ALA A 45 -3.001 -9.281 -2.823 1.00 64.14 H new ATOM 0 HB2 ALA A 45 -4.594 -9.823 -2.244 1.00 64.14 H new ATOM 0 HB3 ALA A 45 -3.144 -10.103 -1.251 1.00 64.14 H new ATOM 745 N SER A 46 -1.367 -11.835 -4.346 1.00 25.41 N ATOM 746 CA SER A 46 0.057 -12.042 -4.656 1.00 74.52 C ATOM 747 C SER A 46 0.752 -10.701 -4.962 1.00 63.42 C ATOM 748 O SER A 46 0.158 -9.632 -4.809 1.00 3.50 O ATOM 749 CB SER A 46 0.210 -12.996 -5.852 1.00 22.42 C ATOM 750 OG SER A 46 -0.447 -14.237 -5.622 1.00 24.32 O ATOM 0 H SER A 46 -1.970 -11.812 -5.168 1.00 25.41 H new ATOM 0 HA SER A 46 0.533 -12.487 -3.782 1.00 74.52 H new ATOM 0 HB2 SER A 46 -0.200 -12.527 -6.746 1.00 22.42 H new ATOM 0 HB3 SER A 46 1.268 -13.174 -6.042 1.00 22.42 H new ATOM 0 HG SER A 46 -0.331 -14.818 -6.403 1.00 24.32 H new ATOM 756 N GLY A 47 2.007 -10.762 -5.409 1.00 41.13 N ATOM 757 CA GLY A 47 2.791 -9.547 -5.650 1.00 24.14 C ATOM 758 C GLY A 47 2.163 -8.572 -6.652 1.00 4.31 C ATOM 759 O GLY A 47 2.292 -7.356 -6.502 1.00 34.24 O ATOM 0 H GLY A 47 2.500 -11.632 -5.611 1.00 41.13 H new ATOM 0 HA2 GLY A 47 2.936 -9.030 -4.702 1.00 24.14 H new ATOM 0 HA3 GLY A 47 3.779 -9.833 -6.011 1.00 24.14 H new ATOM 763 N ALA A 48 1.475 -9.097 -7.667 1.00 15.31 N ATOM 764 CA ALA A 48 0.893 -8.258 -8.727 1.00 22.34 C ATOM 765 C ALA A 48 -0.205 -7.321 -8.191 1.00 40.42 C ATOM 766 O ALA A 48 -0.210 -6.119 -8.476 1.00 40.14 O ATOM 767 CB ALA A 48 0.337 -9.139 -9.842 1.00 71.04 C ATOM 0 H ALA A 48 1.305 -10.096 -7.781 1.00 15.31 H new ATOM 0 HA ALA A 48 1.690 -7.628 -9.122 1.00 22.34 H new ATOM 0 HB1 ALA A 48 -0.092 -8.511 -10.623 1.00 71.04 H new ATOM 0 HB2 ALA A 48 1.141 -9.743 -10.263 1.00 71.04 H new ATOM 0 HB3 ALA A 48 -0.435 -9.793 -9.438 1.00 71.04 H new ATOM 773 N GLU A 49 -1.127 -7.870 -7.406 1.00 13.24 N ATOM 774 CA GLU A 49 -2.230 -7.082 -6.838 1.00 15.55 C ATOM 775 C GLU A 49 -1.777 -6.282 -5.606 1.00 15.45 C ATOM 776 O GLU A 49 -2.309 -5.205 -5.328 1.00 63.20 O ATOM 777 CB GLU A 49 -3.453 -7.967 -6.505 1.00 60.54 C ATOM 778 CG GLU A 49 -3.131 -9.309 -5.849 1.00 54.30 C ATOM 779 CD GLU A 49 -2.825 -10.414 -6.857 1.00 0.51 C ATOM 780 OE1 GLU A 49 -3.771 -11.089 -7.315 1.00 20.03 O ATOM 781 OE2 GLU A 49 -1.640 -10.619 -7.186 1.00 41.24 O ATOM 0 H GLU A 49 -1.137 -8.856 -7.145 1.00 13.24 H new ATOM 0 HA GLU A 49 -2.538 -6.369 -7.602 1.00 15.55 H new ATOM 0 HB2 GLU A 49 -4.115 -7.408 -5.844 1.00 60.54 H new ATOM 0 HB3 GLU A 49 -4.006 -8.155 -7.425 1.00 60.54 H new ATOM 0 HG2 GLU A 49 -2.276 -9.185 -5.185 1.00 54.30 H new ATOM 0 HG3 GLU A 49 -3.974 -9.615 -5.230 1.00 54.30 H new ATOM 788 N VAL A 50 -0.787 -6.797 -4.871 1.00 22.42 N ATOM 789 CA VAL A 50 -0.167 -6.033 -3.778 1.00 44.12 C ATOM 790 C VAL A 50 0.538 -4.782 -4.333 1.00 45.41 C ATOM 791 O VAL A 50 0.451 -3.694 -3.756 1.00 22.24 O ATOM 792 CB VAL A 50 0.842 -6.895 -2.970 1.00 41.22 C ATOM 793 CG1 VAL A 50 1.616 -6.042 -1.963 1.00 31.00 C ATOM 794 CG2 VAL A 50 0.122 -8.042 -2.260 1.00 43.03 C ATOM 0 H VAL A 50 -0.399 -7.730 -5.009 1.00 22.42 H new ATOM 0 HA VAL A 50 -0.964 -5.729 -3.100 1.00 44.12 H new ATOM 0 HB VAL A 50 1.559 -7.318 -3.673 1.00 41.22 H new ATOM 0 HG11 VAL A 50 2.314 -6.673 -1.413 1.00 31.00 H new ATOM 0 HG12 VAL A 50 2.168 -5.266 -2.492 1.00 31.00 H new ATOM 0 HG13 VAL A 50 0.918 -5.579 -1.266 1.00 31.00 H new ATOM 0 HG21 VAL A 50 0.845 -8.634 -1.700 1.00 43.03 H new ATOM 0 HG22 VAL A 50 -0.623 -7.636 -1.575 1.00 43.03 H new ATOM 0 HG23 VAL A 50 -0.371 -8.675 -2.998 1.00 43.03 H new ATOM 804 N LYS A 51 1.232 -4.947 -5.461 1.00 64.42 N ATOM 805 CA LYS A 51 1.808 -3.813 -6.194 1.00 71.41 C ATOM 806 C LYS A 51 0.698 -2.864 -6.675 1.00 74.32 C ATOM 807 O LYS A 51 0.876 -1.642 -6.722 1.00 41.01 O ATOM 808 CB LYS A 51 2.627 -4.318 -7.390 1.00 33.02 C ATOM 809 CG LYS A 51 3.165 -3.207 -8.293 1.00 3.02 C ATOM 810 CD LYS A 51 4.020 -3.756 -9.435 1.00 61.44 C ATOM 811 CE LYS A 51 3.251 -4.745 -10.306 1.00 61.24 C ATOM 812 NZ LYS A 51 4.098 -5.296 -11.392 1.00 53.12 N ATOM 0 H LYS A 51 1.410 -5.856 -5.889 1.00 64.42 H new ATOM 0 HA LYS A 51 2.467 -3.264 -5.522 1.00 71.41 H new ATOM 0 HB2 LYS A 51 3.465 -4.908 -7.019 1.00 33.02 H new ATOM 0 HB3 LYS A 51 2.006 -4.987 -7.986 1.00 33.02 H new ATOM 0 HG2 LYS A 51 2.330 -2.640 -8.706 1.00 3.02 H new ATOM 0 HG3 LYS A 51 3.758 -2.513 -7.698 1.00 3.02 H new ATOM 0 HD2 LYS A 51 4.374 -2.930 -10.052 1.00 61.44 H new ATOM 0 HD3 LYS A 51 4.902 -4.246 -9.023 1.00 61.44 H new ATOM 0 HE2 LYS A 51 2.877 -5.561 -9.687 1.00 61.24 H new ATOM 0 HE3 LYS A 51 2.382 -4.249 -10.739 1.00 61.24 H new ATOM 0 HZ1 LYS A 51 3.541 -5.964 -11.962 1.00 53.12 H new ATOM 0 HZ2 LYS A 51 4.434 -4.520 -11.998 1.00 53.12 H new ATOM 0 HZ3 LYS A 51 4.914 -5.791 -10.979 1.00 53.12 H new ATOM 826 N GLY A 52 -0.447 -3.443 -7.037 1.00 53.52 N ATOM 827 CA GLY A 52 -1.620 -2.651 -7.385 1.00 22.20 C ATOM 828 C GLY A 52 -2.039 -1.723 -6.251 1.00 70.23 C ATOM 829 O GLY A 52 -2.173 -0.518 -6.445 1.00 21.43 O ATOM 0 H GLY A 52 -0.584 -4.452 -7.096 1.00 53.52 H new ATOM 0 HA2 GLY A 52 -1.408 -2.061 -8.277 1.00 22.20 H new ATOM 0 HA3 GLY A 52 -2.447 -3.317 -7.633 1.00 22.20 H new ATOM 833 N VAL A 53 -2.226 -2.290 -5.058 1.00 51.42 N ATOM 834 CA VAL A 53 -2.532 -1.505 -3.852 1.00 62.43 C ATOM 835 C VAL A 53 -1.482 -0.406 -3.616 1.00 72.10 C ATOM 836 O VAL A 53 -1.821 0.735 -3.291 1.00 55.41 O ATOM 837 CB VAL A 53 -2.618 -2.426 -2.606 1.00 31.12 C ATOM 838 CG1 VAL A 53 -2.714 -1.619 -1.310 1.00 64.14 C ATOM 839 CG2 VAL A 53 -3.808 -3.374 -2.735 1.00 43.15 C ATOM 0 H VAL A 53 -2.171 -3.296 -4.897 1.00 51.42 H new ATOM 0 HA VAL A 53 -3.499 -1.027 -4.010 1.00 62.43 H new ATOM 0 HB VAL A 53 -1.699 -3.010 -2.559 1.00 31.12 H new ATOM 0 HG11 VAL A 53 -2.772 -2.300 -0.461 1.00 64.14 H new ATOM 0 HG12 VAL A 53 -1.832 -0.987 -1.209 1.00 64.14 H new ATOM 0 HG13 VAL A 53 -3.607 -0.994 -1.336 1.00 64.14 H new ATOM 0 HG21 VAL A 53 -3.859 -4.016 -1.855 1.00 43.15 H new ATOM 0 HG22 VAL A 53 -4.728 -2.795 -2.815 1.00 43.15 H new ATOM 0 HG23 VAL A 53 -3.688 -3.989 -3.627 1.00 43.15 H new ATOM 849 N CYS A 54 -0.206 -0.755 -3.790 1.00 12.14 N ATOM 850 CA CYS A 54 0.892 0.216 -3.668 1.00 15.53 C ATOM 851 C CYS A 54 0.706 1.395 -4.638 1.00 74.22 C ATOM 852 O CYS A 54 0.952 2.553 -4.289 1.00 63.24 O ATOM 853 CB CYS A 54 2.244 -0.457 -3.944 1.00 33.01 C ATOM 854 SG CYS A 54 2.658 -1.807 -2.811 1.00 33.21 S ATOM 0 H CYS A 54 0.096 -1.703 -4.016 1.00 12.14 H new ATOM 0 HA CYS A 54 0.877 0.596 -2.646 1.00 15.53 H new ATOM 0 HB2 CYS A 54 2.242 -0.843 -4.963 1.00 33.01 H new ATOM 0 HB3 CYS A 54 3.028 0.298 -3.891 1.00 33.01 H new ATOM 0 HG CYS A 54 1.850 -2.805 -3.012 1.00 33.21 H new ATOM 860 N THR A 55 0.267 1.090 -5.858 1.00 12.44 N ATOM 861 CA THR A 55 0.056 2.116 -6.888 1.00 23.24 C ATOM 862 C THR A 55 -1.213 2.939 -6.617 1.00 21.03 C ATOM 863 O THR A 55 -1.197 4.168 -6.699 1.00 65.21 O ATOM 864 CB THR A 55 -0.035 1.486 -8.300 1.00 44.15 C ATOM 865 OG1 THR A 55 1.153 0.723 -8.577 1.00 44.25 O ATOM 866 CG2 THR A 55 -0.214 2.561 -9.370 1.00 33.41 C ATOM 0 H THR A 55 0.049 0.141 -6.161 1.00 12.44 H new ATOM 0 HA THR A 55 0.920 2.780 -6.848 1.00 23.24 H new ATOM 0 HB THR A 55 -0.904 0.829 -8.321 1.00 44.15 H new ATOM 0 HG1 THR A 55 1.156 -0.089 -8.028 1.00 44.25 H new ATOM 0 HG21 THR A 55 -0.275 2.091 -10.351 1.00 33.41 H new ATOM 0 HG22 THR A 55 -1.131 3.118 -9.177 1.00 33.41 H new ATOM 0 HG23 THR A 55 0.636 3.243 -9.347 1.00 33.41 H new ATOM 874 N GLU A 56 -2.310 2.256 -6.290 1.00 3.50 N ATOM 875 CA GLU A 56 -3.578 2.923 -5.973 1.00 51.33 C ATOM 876 C GLU A 56 -3.407 3.906 -4.805 1.00 24.25 C ATOM 877 O GLU A 56 -3.971 5.001 -4.815 1.00 45.10 O ATOM 878 CB GLU A 56 -4.662 1.890 -5.635 1.00 15.51 C ATOM 879 CG GLU A 56 -4.970 0.906 -6.765 1.00 33.42 C ATOM 880 CD GLU A 56 -5.458 1.587 -8.036 1.00 65.22 C ATOM 881 OE1 GLU A 56 -6.607 2.076 -8.051 1.00 2.44 O ATOM 882 OE2 GLU A 56 -4.701 1.621 -9.031 1.00 40.11 O ATOM 0 H GLU A 56 -2.348 1.238 -6.237 1.00 3.50 H new ATOM 0 HA GLU A 56 -3.888 3.485 -6.854 1.00 51.33 H new ATOM 0 HB2 GLU A 56 -4.350 1.328 -4.755 1.00 15.51 H new ATOM 0 HB3 GLU A 56 -5.578 2.417 -5.368 1.00 15.51 H new ATOM 0 HG2 GLU A 56 -4.073 0.329 -6.991 1.00 33.42 H new ATOM 0 HG3 GLU A 56 -5.727 0.198 -6.426 1.00 33.42 H new ATOM 889 N ALA A 57 -2.618 3.508 -3.804 1.00 53.44 N ATOM 890 CA ALA A 57 -2.266 4.401 -2.692 1.00 24.33 C ATOM 891 C ALA A 57 -1.652 5.709 -3.213 1.00 31.41 C ATOM 892 O ALA A 57 -2.024 6.802 -2.787 1.00 54.21 O ATOM 893 CB ALA A 57 -1.302 3.703 -1.741 1.00 32.25 C ATOM 0 H ALA A 57 -2.210 2.575 -3.739 1.00 53.44 H new ATOM 0 HA ALA A 57 -3.178 4.648 -2.149 1.00 24.33 H new ATOM 0 HB1 ALA A 57 -1.049 4.375 -0.921 1.00 32.25 H new ATOM 0 HB2 ALA A 57 -1.772 2.804 -1.341 1.00 32.25 H new ATOM 0 HB3 ALA A 57 -0.394 3.429 -2.279 1.00 32.25 H new ATOM 899 N GLY A 58 -0.715 5.583 -4.153 1.00 22.14 N ATOM 900 CA GLY A 58 -0.134 6.756 -4.795 1.00 73.43 C ATOM 901 C GLY A 58 -1.175 7.580 -5.549 1.00 65.34 C ATOM 902 O GLY A 58 -1.146 8.809 -5.516 1.00 14.20 O ATOM 0 H GLY A 58 -0.347 4.690 -4.482 1.00 22.14 H new ATOM 0 HA2 GLY A 58 0.344 7.381 -4.040 1.00 73.43 H new ATOM 0 HA3 GLY A 58 0.646 6.439 -5.487 1.00 73.43 H new ATOM 906 N MET A 59 -2.105 6.895 -6.219 1.00 40.35 N ATOM 907 CA MET A 59 -3.213 7.558 -6.923 1.00 52.34 C ATOM 908 C MET A 59 -4.030 8.437 -5.963 1.00 21.43 C ATOM 909 O MET A 59 -4.398 9.567 -6.294 1.00 52.12 O ATOM 910 CB MET A 59 -4.135 6.512 -7.574 1.00 54.12 C ATOM 911 CG MET A 59 -3.469 5.656 -8.652 1.00 35.33 C ATOM 912 SD MET A 59 -3.631 6.344 -10.320 1.00 13.35 S ATOM 913 CE MET A 59 -2.651 7.841 -10.217 1.00 50.53 C ATOM 0 H MET A 59 -2.115 5.878 -6.291 1.00 40.35 H new ATOM 0 HA MET A 59 -2.784 8.194 -7.697 1.00 52.34 H new ATOM 0 HB2 MET A 59 -4.523 5.855 -6.796 1.00 54.12 H new ATOM 0 HB3 MET A 59 -4.990 7.025 -8.014 1.00 54.12 H new ATOM 0 HG2 MET A 59 -2.411 5.544 -8.414 1.00 35.33 H new ATOM 0 HG3 MET A 59 -3.907 4.658 -8.635 1.00 35.33 H new ATOM 0 HE1 MET A 59 -2.357 8.153 -11.219 1.00 50.53 H new ATOM 0 HE2 MET A 59 -3.240 8.630 -9.749 1.00 50.53 H new ATOM 0 HE3 MET A 59 -1.759 7.652 -9.620 1.00 50.53 H new ATOM 923 N TYR A 60 -4.299 7.914 -4.766 1.00 10.33 N ATOM 924 CA TYR A 60 -5.073 8.648 -3.757 1.00 61.04 C ATOM 925 C TYR A 60 -4.282 9.839 -3.208 1.00 22.31 C ATOM 926 O TYR A 60 -4.827 10.932 -3.025 1.00 65.44 O ATOM 927 CB TYR A 60 -5.500 7.716 -2.618 1.00 52.34 C ATOM 928 CG TYR A 60 -6.262 6.497 -3.100 1.00 41.22 C ATOM 929 CD1 TYR A 60 -7.149 6.587 -4.168 1.00 22.44 C ATOM 930 CD2 TYR A 60 -6.086 5.256 -2.499 1.00 71.14 C ATOM 931 CE1 TYR A 60 -7.836 5.478 -4.622 1.00 22.32 C ATOM 932 CE2 TYR A 60 -6.767 4.145 -2.951 1.00 21.22 C ATOM 933 CZ TYR A 60 -7.641 4.261 -4.011 1.00 32.54 C ATOM 934 OH TYR A 60 -8.318 3.151 -4.465 1.00 3.42 O ATOM 0 H TYR A 60 -3.994 6.987 -4.469 1.00 10.33 H new ATOM 0 HA TYR A 60 -5.969 9.035 -4.243 1.00 61.04 H new ATOM 0 HB2 TYR A 60 -4.615 7.391 -2.072 1.00 52.34 H new ATOM 0 HB3 TYR A 60 -6.122 8.271 -1.916 1.00 52.34 H new ATOM 0 HD1 TYR A 60 -7.303 7.541 -4.651 1.00 22.44 H new ATOM 0 HD2 TYR A 60 -5.406 5.160 -1.666 1.00 71.14 H new ATOM 0 HE1 TYR A 60 -8.522 5.566 -5.452 1.00 22.32 H new ATOM 0 HE2 TYR A 60 -6.616 3.187 -2.476 1.00 21.22 H new ATOM 0 HH TYR A 60 -7.685 2.416 -4.606 1.00 3.42 H new ATOM 944 N ALA A 61 -2.997 9.629 -2.955 1.00 41.44 N ATOM 945 CA ALA A 61 -2.109 10.720 -2.555 1.00 11.15 C ATOM 946 C ALA A 61 -2.084 11.834 -3.616 1.00 52.33 C ATOM 947 O ALA A 61 -2.119 13.019 -3.288 1.00 35.14 O ATOM 948 CB ALA A 61 -0.703 10.187 -2.301 1.00 73.40 C ATOM 0 H ALA A 61 -2.544 8.717 -3.018 1.00 41.44 H new ATOM 0 HA ALA A 61 -2.493 11.151 -1.631 1.00 11.15 H new ATOM 0 HB1 ALA A 61 -0.051 11.008 -2.004 1.00 73.40 H new ATOM 0 HB2 ALA A 61 -0.734 9.442 -1.506 1.00 73.40 H new ATOM 0 HB3 ALA A 61 -0.318 9.729 -3.212 1.00 73.40 H new ATOM 954 N LEU A 62 -2.043 11.447 -4.891 1.00 10.03 N ATOM 955 CA LEU A 62 -2.048 12.411 -6.000 1.00 55.01 C ATOM 956 C LEU A 62 -3.364 13.208 -6.062 1.00 44.52 C ATOM 957 O LEU A 62 -3.349 14.441 -6.115 1.00 24.34 O ATOM 958 CB LEU A 62 -1.805 11.692 -7.338 1.00 61.13 C ATOM 959 CG LEU A 62 -0.426 11.027 -7.490 1.00 10.41 C ATOM 960 CD1 LEU A 62 -0.314 10.314 -8.833 1.00 63.40 C ATOM 961 CD2 LEU A 62 0.691 12.054 -7.330 1.00 23.13 C ATOM 0 H LEU A 62 -2.006 10.471 -5.186 1.00 10.03 H new ATOM 0 HA LEU A 62 -1.239 13.118 -5.819 1.00 55.01 H new ATOM 0 HB2 LEU A 62 -2.573 10.929 -7.466 1.00 61.13 H new ATOM 0 HB3 LEU A 62 -1.933 12.412 -8.146 1.00 61.13 H new ATOM 0 HG LEU A 62 -0.320 10.283 -6.700 1.00 10.41 H new ATOM 0 HD11 LEU A 62 0.669 9.851 -8.918 1.00 63.40 H new ATOM 0 HD12 LEU A 62 -1.084 9.546 -8.902 1.00 63.40 H new ATOM 0 HD13 LEU A 62 -0.447 11.035 -9.640 1.00 63.40 H new ATOM 0 HD21 LEU A 62 1.657 11.561 -7.441 1.00 23.13 H new ATOM 0 HD22 LEU A 62 0.587 12.826 -8.092 1.00 23.13 H new ATOM 0 HD23 LEU A 62 0.628 12.509 -6.342 1.00 23.13 H new ATOM 973 N ARG A 63 -4.499 12.509 -6.053 1.00 22.20 N ATOM 974 CA ARG A 63 -5.811 13.170 -6.129 1.00 44.23 C ATOM 975 C ARG A 63 -6.041 14.108 -4.923 1.00 74.11 C ATOM 976 O ARG A 63 -6.577 15.206 -5.073 1.00 40.23 O ATOM 977 CB ARG A 63 -6.946 12.131 -6.200 1.00 63.41 C ATOM 978 CG ARG A 63 -7.092 11.327 -4.918 1.00 5.10 C ATOM 979 CD ARG A 63 -8.358 10.480 -4.864 1.00 4.12 C ATOM 980 NE ARG A 63 -8.605 10.019 -3.500 1.00 55.30 N ATOM 981 CZ ARG A 63 -9.755 9.597 -3.061 1.00 41.41 C ATOM 982 NH1 ARG A 63 -10.763 9.455 -3.857 1.00 33.41 N ATOM 983 NH2 ARG A 63 -9.887 9.306 -1.812 1.00 51.12 N ATOM 0 H ARG A 63 -4.542 11.492 -5.994 1.00 22.20 H new ATOM 0 HA ARG A 63 -5.818 13.769 -7.040 1.00 44.23 H new ATOM 0 HB2 ARG A 63 -7.886 12.641 -6.412 1.00 63.41 H new ATOM 0 HB3 ARG A 63 -6.758 11.451 -7.030 1.00 63.41 H new ATOM 0 HG2 ARG A 63 -6.225 10.675 -4.808 1.00 5.10 H new ATOM 0 HG3 ARG A 63 -7.087 12.010 -4.069 1.00 5.10 H new ATOM 0 HD2 ARG A 63 -9.209 11.063 -5.217 1.00 4.12 H new ATOM 0 HD3 ARG A 63 -8.259 9.624 -5.532 1.00 4.12 H new ATOM 0 HE ARG A 63 -7.822 10.029 -2.847 1.00 55.30 H new ATOM 0 HH11 ARG A 63 -10.665 9.675 -4.848 1.00 33.41 H new ATOM 0 HH12 ARG A 63 -11.657 9.123 -3.494 1.00 33.41 H new ATOM 0 HH21 ARG A 63 -9.094 9.407 -1.178 1.00 51.12 H new ATOM 0 HH22 ARG A 63 -10.784 8.974 -1.458 1.00 51.12 H new ATOM 997 N GLU A 64 -5.633 13.668 -3.726 1.00 12.55 N ATOM 998 CA GLU A 64 -5.856 14.441 -2.491 1.00 51.50 C ATOM 999 C GLU A 64 -4.615 15.275 -2.106 1.00 11.21 C ATOM 1000 O GLU A 64 -4.496 15.755 -0.975 1.00 21.40 O ATOM 1001 CB GLU A 64 -6.290 13.494 -1.350 1.00 15.53 C ATOM 1002 CG GLU A 64 -7.560 12.707 -1.690 1.00 22.54 C ATOM 1003 CD GLU A 64 -8.068 11.794 -0.580 1.00 71.31 C ATOM 1004 OE1 GLU A 64 -8.810 12.273 0.308 1.00 61.14 O ATOM 1005 OE2 GLU A 64 -7.751 10.582 -0.603 1.00 3.10 O ATOM 0 H GLU A 64 -5.147 12.783 -3.583 1.00 12.55 H new ATOM 0 HA GLU A 64 -6.661 15.154 -2.670 1.00 51.50 H new ATOM 0 HB2 GLU A 64 -5.481 12.796 -1.134 1.00 15.53 H new ATOM 0 HB3 GLU A 64 -6.459 14.076 -0.444 1.00 15.53 H new ATOM 0 HG2 GLU A 64 -8.349 13.413 -1.949 1.00 22.54 H new ATOM 0 HG3 GLU A 64 -7.369 12.104 -2.577 1.00 22.54 H new ATOM 1012 N ARG A 65 -3.701 15.445 -3.071 1.00 52.32 N ATOM 1013 CA ARG A 65 -2.562 16.376 -2.955 1.00 13.41 C ATOM 1014 C ARG A 65 -1.593 16.023 -1.808 1.00 52.12 C ATOM 1015 O ARG A 65 -0.836 16.875 -1.338 1.00 23.15 O ATOM 1016 CB ARG A 65 -3.080 17.814 -2.789 1.00 40.51 C ATOM 1017 CG ARG A 65 -4.016 18.269 -3.908 1.00 61.32 C ATOM 1018 CD ARG A 65 -3.329 18.253 -5.269 1.00 14.25 C ATOM 1019 NE ARG A 65 -4.224 18.690 -6.341 1.00 41.40 N ATOM 1020 CZ ARG A 65 -3.873 19.498 -7.307 1.00 74.54 C ATOM 1021 NH1 ARG A 65 -2.671 19.974 -7.358 1.00 72.02 N ATOM 1022 NH2 ARG A 65 -4.727 19.832 -8.223 1.00 73.01 N ATOM 0 H ARG A 65 -3.728 14.941 -3.957 1.00 52.32 H new ATOM 0 HA ARG A 65 -1.988 16.286 -3.878 1.00 13.41 H new ATOM 0 HB2 ARG A 65 -3.604 17.893 -1.836 1.00 40.51 H new ATOM 0 HB3 ARG A 65 -2.229 18.493 -2.742 1.00 40.51 H new ATOM 0 HG2 ARG A 65 -4.891 17.619 -3.936 1.00 61.32 H new ATOM 0 HG3 ARG A 65 -4.374 19.276 -3.694 1.00 61.32 H new ATOM 0 HD2 ARG A 65 -2.454 18.902 -5.241 1.00 14.25 H new ATOM 0 HD3 ARG A 65 -2.972 17.246 -5.483 1.00 14.25 H new ATOM 0 HE ARG A 65 -5.183 18.342 -6.334 1.00 41.40 H new ATOM 0 HH11 ARG A 65 -1.991 19.719 -6.642 1.00 72.02 H new ATOM 0 HH12 ARG A 65 -2.404 20.604 -8.114 1.00 72.02 H new ATOM 0 HH21 ARG A 65 -5.678 19.464 -8.192 1.00 73.01 H new ATOM 0 HH22 ARG A 65 -4.448 20.463 -8.975 1.00 73.01 H new ATOM 1036 N ARG A 66 -1.593 14.766 -1.383 1.00 31.11 N ATOM 1037 CA ARG A 66 -0.697 14.309 -0.316 1.00 40.52 C ATOM 1038 C ARG A 66 0.725 14.058 -0.845 1.00 74.24 C ATOM 1039 O ARG A 66 0.937 13.190 -1.693 1.00 35.54 O ATOM 1040 CB ARG A 66 -1.239 13.025 0.324 1.00 71.15 C ATOM 1041 CG ARG A 66 -2.630 13.178 0.920 1.00 15.31 C ATOM 1042 CD ARG A 66 -3.161 11.862 1.477 1.00 51.54 C ATOM 1043 NE ARG A 66 -4.527 12.011 1.970 1.00 41.42 N ATOM 1044 CZ ARG A 66 -5.534 11.293 1.568 1.00 64.13 C ATOM 1045 NH1 ARG A 66 -5.366 10.298 0.761 1.00 51.11 N ATOM 1046 NH2 ARG A 66 -6.717 11.556 2.008 1.00 63.21 N ATOM 0 H ARG A 66 -2.203 14.040 -1.759 1.00 31.11 H new ATOM 0 HA ARG A 66 -0.651 15.099 0.434 1.00 40.52 H new ATOM 0 HB2 ARG A 66 -1.260 12.236 -0.428 1.00 71.15 H new ATOM 0 HB3 ARG A 66 -0.552 12.702 1.106 1.00 71.15 H new ATOM 0 HG2 ARG A 66 -2.604 13.924 1.715 1.00 15.31 H new ATOM 0 HG3 ARG A 66 -3.313 13.550 0.156 1.00 15.31 H new ATOM 0 HD2 ARG A 66 -3.133 11.098 0.700 1.00 51.54 H new ATOM 0 HD3 ARG A 66 -2.515 11.519 2.285 1.00 51.54 H new ATOM 0 HE ARG A 66 -4.703 12.725 2.676 1.00 41.42 H new ATOM 0 HH11 ARG A 66 -4.431 10.064 0.428 1.00 51.11 H new ATOM 0 HH12 ARG A 66 -6.169 9.747 0.457 1.00 51.11 H new ATOM 0 HH21 ARG A 66 -6.858 12.322 2.666 1.00 63.21 H new ATOM 0 HH22 ARG A 66 -7.512 10.998 1.698 1.00 63.21 H new ATOM 1060 N VAL A 67 1.690 14.834 -0.358 1.00 32.13 N ATOM 1061 CA VAL A 67 3.103 14.609 -0.684 1.00 52.54 C ATOM 1062 C VAL A 67 3.596 13.303 -0.039 1.00 41.24 C ATOM 1063 O VAL A 67 4.357 12.541 -0.637 1.00 12.11 O ATOM 1064 CB VAL A 67 3.988 15.789 -0.201 1.00 31.33 C ATOM 1065 CG1 VAL A 67 5.456 15.558 -0.565 1.00 34.05 C ATOM 1066 CG2 VAL A 67 3.482 17.112 -0.774 1.00 52.11 C ATOM 0 H VAL A 67 1.523 15.625 0.264 1.00 32.13 H new ATOM 0 HA VAL A 67 3.185 14.536 -1.768 1.00 52.54 H new ATOM 0 HB VAL A 67 3.920 15.842 0.886 1.00 31.33 H new ATOM 0 HG11 VAL A 67 6.054 16.399 -0.215 1.00 34.05 H new ATOM 0 HG12 VAL A 67 5.808 14.641 -0.092 1.00 34.05 H new ATOM 0 HG13 VAL A 67 5.553 15.469 -1.647 1.00 34.05 H new ATOM 0 HG21 VAL A 67 4.116 17.926 -0.423 1.00 52.11 H new ATOM 0 HG22 VAL A 67 3.512 17.072 -1.863 1.00 52.11 H new ATOM 0 HG23 VAL A 67 2.457 17.283 -0.445 1.00 52.11 H new ATOM 1076 N HIS A 68 3.140 13.052 1.188 1.00 33.52 N ATOM 1077 CA HIS A 68 3.475 11.821 1.914 1.00 41.23 C ATOM 1078 C HIS A 68 2.269 10.867 1.975 1.00 14.02 C ATOM 1079 O HIS A 68 1.204 11.228 2.479 1.00 2.41 O ATOM 1080 CB HIS A 68 3.968 12.158 3.334 1.00 33.23 C ATOM 1081 CG HIS A 68 2.990 12.948 4.154 1.00 43.22 C ATOM 1082 ND1 HIS A 68 2.984 14.324 4.196 1.00 43.31 N ATOM 1083 CD2 HIS A 68 1.984 12.549 4.970 1.00 12.41 C ATOM 1084 CE1 HIS A 68 2.025 14.735 5.000 1.00 33.44 C ATOM 1085 NE2 HIS A 68 1.400 13.682 5.483 1.00 15.50 N ATOM 0 H HIS A 68 2.533 13.688 1.705 1.00 33.52 H new ATOM 0 HA HIS A 68 4.275 11.315 1.374 1.00 41.23 H new ATOM 0 HB2 HIS A 68 4.197 11.229 3.857 1.00 33.23 H new ATOM 0 HB3 HIS A 68 4.899 12.719 3.259 1.00 33.23 H new ATOM 0 HD2 HIS A 68 1.695 11.529 5.178 1.00 12.41 H new ATOM 0 HE1 HIS A 68 1.790 15.765 5.225 1.00 33.44 H new ATOM 0 HE2 HIS A 68 0.612 13.704 6.131 1.00 15.50 H new ATOM 1094 N VAL A 69 2.443 9.656 1.454 1.00 61.42 N ATOM 1095 CA VAL A 69 1.387 8.639 1.480 1.00 54.40 C ATOM 1096 C VAL A 69 1.131 8.148 2.916 1.00 34.22 C ATOM 1097 O VAL A 69 2.072 7.879 3.674 1.00 21.21 O ATOM 1098 CB VAL A 69 1.747 7.433 0.571 1.00 40.31 C ATOM 1099 CG1 VAL A 69 0.588 6.440 0.501 1.00 11.12 C ATOM 1100 CG2 VAL A 69 2.151 7.908 -0.827 1.00 41.21 C ATOM 0 H VAL A 69 3.307 9.351 1.006 1.00 61.42 H new ATOM 0 HA VAL A 69 0.478 9.104 1.099 1.00 54.40 H new ATOM 0 HB VAL A 69 2.602 6.919 1.010 1.00 40.31 H new ATOM 0 HG11 VAL A 69 0.864 5.604 -0.141 1.00 11.12 H new ATOM 0 HG12 VAL A 69 0.365 6.070 1.502 1.00 11.12 H new ATOM 0 HG13 VAL A 69 -0.292 6.936 0.093 1.00 11.12 H new ATOM 0 HG21 VAL A 69 2.399 7.046 -1.447 1.00 41.21 H new ATOM 0 HG22 VAL A 69 1.323 8.454 -1.279 1.00 41.21 H new ATOM 0 HG23 VAL A 69 3.019 8.563 -0.752 1.00 41.21 H new ATOM 1110 N THR A 70 -0.139 8.047 3.299 1.00 31.55 N ATOM 1111 CA THR A 70 -0.497 7.656 4.668 1.00 63.32 C ATOM 1112 C THR A 70 -1.020 6.217 4.734 1.00 74.33 C ATOM 1113 O THR A 70 -1.181 5.547 3.714 1.00 2.34 O ATOM 1114 CB THR A 70 -1.574 8.590 5.279 1.00 71.43 C ATOM 1115 OG1 THR A 70 -2.870 8.270 4.752 1.00 41.43 O ATOM 1116 CG2 THR A 70 -1.255 10.056 4.998 1.00 73.01 C ATOM 0 H THR A 70 -0.936 8.228 2.689 1.00 31.55 H new ATOM 0 HA THR A 70 0.424 7.738 5.245 1.00 63.32 H new ATOM 0 HB THR A 70 -1.574 8.436 6.358 1.00 71.43 H new ATOM 0 HG1 THR A 70 -2.818 8.199 3.776 1.00 41.43 H new ATOM 0 HG21 THR A 70 -2.027 10.687 5.438 1.00 73.01 H new ATOM 0 HG22 THR A 70 -0.288 10.308 5.434 1.00 73.01 H new ATOM 0 HG23 THR A 70 -1.222 10.221 3.921 1.00 73.01 H new ATOM 1124 N GLN A 71 -1.288 5.754 5.951 1.00 35.21 N ATOM 1125 CA GLN A 71 -1.864 4.423 6.178 1.00 41.53 C ATOM 1126 C GLN A 71 -3.221 4.277 5.462 1.00 53.45 C ATOM 1127 O GLN A 71 -3.568 3.204 4.960 1.00 42.10 O ATOM 1128 CB GLN A 71 -2.042 4.202 7.688 1.00 24.40 C ATOM 1129 CG GLN A 71 -2.604 2.834 8.073 1.00 45.22 C ATOM 1130 CD GLN A 71 -1.603 1.701 7.909 1.00 11.05 C ATOM 1131 OE1 GLN A 71 -0.723 1.742 7.059 1.00 25.20 O ATOM 1132 NE2 GLN A 71 -1.723 0.681 8.736 1.00 73.25 N ATOM 0 H GLN A 71 -1.115 6.283 6.806 1.00 35.21 H new ATOM 0 HA GLN A 71 -1.186 3.673 5.770 1.00 41.53 H new ATOM 0 HB2 GLN A 71 -1.077 4.333 8.177 1.00 24.40 H new ATOM 0 HB3 GLN A 71 -2.704 4.974 8.079 1.00 24.40 H new ATOM 0 HG2 GLN A 71 -2.939 2.866 9.110 1.00 45.22 H new ATOM 0 HG3 GLN A 71 -3.482 2.625 7.461 1.00 45.22 H new ATOM 0 HE21 GLN A 71 -2.467 0.675 9.434 1.00 73.25 H new ATOM 0 HE22 GLN A 71 -1.072 -0.102 8.678 1.00 73.25 H new ATOM 1141 N GLU A 72 -3.970 5.380 5.401 1.00 21.35 N ATOM 1142 CA GLU A 72 -5.319 5.379 4.824 1.00 71.42 C ATOM 1143 C GLU A 72 -5.301 5.073 3.318 1.00 55.12 C ATOM 1144 O GLU A 72 -6.132 4.308 2.827 1.00 61.20 O ATOM 1145 CB GLU A 72 -5.999 6.730 5.076 1.00 51.24 C ATOM 1146 CG GLU A 72 -6.187 7.052 6.556 1.00 11.14 C ATOM 1147 CD GLU A 72 -6.866 8.393 6.782 1.00 43.12 C ATOM 1148 OE1 GLU A 72 -8.095 8.484 6.576 1.00 64.01 O ATOM 1149 OE2 GLU A 72 -6.175 9.363 7.159 1.00 63.30 O ATOM 0 H GLU A 72 -3.665 6.290 5.746 1.00 21.35 H new ATOM 0 HA GLU A 72 -5.885 4.587 5.314 1.00 71.42 H new ATOM 0 HB2 GLU A 72 -5.405 7.518 4.614 1.00 51.24 H new ATOM 0 HB3 GLU A 72 -6.972 6.735 4.585 1.00 51.24 H new ATOM 0 HG2 GLU A 72 -6.780 6.266 7.022 1.00 11.14 H new ATOM 0 HG3 GLU A 72 -5.215 7.053 7.050 1.00 11.14 H new ATOM 1156 N ASP A 73 -4.353 5.667 2.594 1.00 41.34 N ATOM 1157 CA ASP A 73 -4.237 5.459 1.144 1.00 64.20 C ATOM 1158 C ASP A 73 -4.103 3.963 0.802 1.00 31.04 C ATOM 1159 O ASP A 73 -4.772 3.456 -0.103 1.00 44.12 O ATOM 1160 CB ASP A 73 -3.033 6.237 0.595 1.00 41.25 C ATOM 1161 CG ASP A 73 -3.129 7.729 0.874 1.00 3.14 C ATOM 1162 OD1 ASP A 73 -2.711 8.161 1.969 1.00 61.14 O ATOM 1163 OD2 ASP A 73 -3.625 8.473 0.004 1.00 4.50 O ATOM 0 H ASP A 73 -3.652 6.297 2.984 1.00 41.34 H new ATOM 0 HA ASP A 73 -5.149 5.830 0.676 1.00 64.20 H new ATOM 0 HB2 ASP A 73 -2.118 5.845 1.039 1.00 41.25 H new ATOM 0 HB3 ASP A 73 -2.960 6.075 -0.480 1.00 41.25 H new ATOM 1168 N PHE A 74 -3.248 3.260 1.545 1.00 2.41 N ATOM 1169 CA PHE A 74 -3.021 1.826 1.322 1.00 65.54 C ATOM 1170 C PHE A 74 -4.281 0.979 1.590 1.00 74.43 C ATOM 1171 O PHE A 74 -4.709 0.207 0.731 1.00 55.14 O ATOM 1172 CB PHE A 74 -1.859 1.322 2.192 1.00 62.43 C ATOM 1173 CG PHE A 74 -0.503 1.801 1.737 1.00 63.42 C ATOM 1174 CD1 PHE A 74 0.180 1.129 0.728 1.00 2.44 C ATOM 1175 CD2 PHE A 74 0.094 2.911 2.316 1.00 24.03 C ATOM 1176 CE1 PHE A 74 1.426 1.555 0.311 1.00 35.22 C ATOM 1177 CE2 PHE A 74 1.343 3.340 1.901 1.00 11.02 C ATOM 1178 CZ PHE A 74 2.008 2.661 0.898 1.00 14.13 C ATOM 0 H PHE A 74 -2.699 3.658 2.308 1.00 2.41 H new ATOM 0 HA PHE A 74 -2.766 1.709 0.269 1.00 65.54 H new ATOM 0 HB2 PHE A 74 -2.021 1.645 3.220 1.00 62.43 H new ATOM 0 HB3 PHE A 74 -1.866 0.232 2.195 1.00 62.43 H new ATOM 0 HD1 PHE A 74 -0.270 0.263 0.265 1.00 2.44 H new ATOM 0 HD2 PHE A 74 -0.421 3.447 3.099 1.00 24.03 H new ATOM 0 HE1 PHE A 74 1.944 1.024 -0.473 1.00 35.22 H new ATOM 0 HE2 PHE A 74 1.797 4.205 2.361 1.00 11.02 H new ATOM 0 HZ PHE A 74 2.982 2.995 0.573 1.00 14.13 H new ATOM 1188 N GLU A 75 -4.875 1.121 2.777 1.00 41.24 N ATOM 1189 CA GLU A 75 -6.047 0.310 3.147 1.00 14.34 C ATOM 1190 C GLU A 75 -7.278 0.634 2.280 1.00 43.14 C ATOM 1191 O GLU A 75 -8.093 -0.248 1.994 1.00 21.41 O ATOM 1192 CB GLU A 75 -6.373 0.460 4.642 1.00 53.41 C ATOM 1193 CG GLU A 75 -6.587 1.895 5.104 1.00 20.13 C ATOM 1194 CD GLU A 75 -6.852 1.980 6.598 1.00 73.54 C ATOM 1195 OE1 GLU A 75 -5.900 1.805 7.386 1.00 33.14 O ATOM 1196 OE2 GLU A 75 -8.019 2.183 6.993 1.00 74.20 O ATOM 0 H GLU A 75 -4.572 1.780 3.494 1.00 41.24 H new ATOM 0 HA GLU A 75 -5.786 -0.731 2.955 1.00 14.34 H new ATOM 0 HB2 GLU A 75 -7.271 -0.117 4.864 1.00 53.41 H new ATOM 0 HB3 GLU A 75 -5.561 0.023 5.223 1.00 53.41 H new ATOM 0 HG2 GLU A 75 -5.707 2.490 4.858 1.00 20.13 H new ATOM 0 HG3 GLU A 75 -7.427 2.329 4.562 1.00 20.13 H new ATOM 1203 N MET A 76 -7.409 1.889 1.850 1.00 64.52 N ATOM 1204 CA MET A 76 -8.468 2.265 0.904 1.00 45.15 C ATOM 1205 C MET A 76 -8.247 1.581 -0.453 1.00 75.24 C ATOM 1206 O MET A 76 -9.198 1.168 -1.122 1.00 42.54 O ATOM 1207 CB MET A 76 -8.526 3.788 0.724 1.00 74.12 C ATOM 1208 CG MET A 76 -9.058 4.528 1.945 1.00 35.24 C ATOM 1209 SD MET A 76 -10.738 4.034 2.376 1.00 62.31 S ATOM 1210 CE MET A 76 -11.629 4.464 0.877 1.00 75.22 C ATOM 0 H MET A 76 -6.803 2.658 2.136 1.00 64.52 H new ATOM 0 HA MET A 76 -9.420 1.930 1.315 1.00 45.15 H new ATOM 0 HB2 MET A 76 -7.526 4.156 0.494 1.00 74.12 H new ATOM 0 HB3 MET A 76 -9.157 4.020 -0.134 1.00 74.12 H new ATOM 0 HG2 MET A 76 -8.399 4.342 2.793 1.00 35.24 H new ATOM 0 HG3 MET A 76 -9.036 5.601 1.753 1.00 35.24 H new ATOM 0 HE1 MET A 76 -12.698 4.504 1.088 1.00 75.22 H new ATOM 0 HE2 MET A 76 -11.293 5.438 0.521 1.00 75.22 H new ATOM 0 HE3 MET A 76 -11.438 3.712 0.112 1.00 75.22 H new ATOM 1220 N ALA A 77 -6.982 1.465 -0.849 1.00 64.35 N ATOM 1221 CA ALA A 77 -6.611 0.734 -2.065 1.00 60.15 C ATOM 1222 C ALA A 77 -6.987 -0.751 -1.958 1.00 50.44 C ATOM 1223 O ALA A 77 -7.500 -1.345 -2.908 1.00 42.42 O ATOM 1224 CB ALA A 77 -5.122 0.896 -2.335 1.00 41.43 C ATOM 0 H ALA A 77 -6.192 1.868 -0.346 1.00 64.35 H new ATOM 0 HA ALA A 77 -7.169 1.154 -2.902 1.00 60.15 H new ATOM 0 HB1 ALA A 77 -4.855 0.350 -3.240 1.00 41.43 H new ATOM 0 HB2 ALA A 77 -4.889 1.953 -2.467 1.00 41.43 H new ATOM 0 HB3 ALA A 77 -4.554 0.502 -1.492 1.00 41.43 H new ATOM 1230 N VAL A 78 -6.737 -1.343 -0.790 1.00 32.22 N ATOM 1231 CA VAL A 78 -7.162 -2.725 -0.513 1.00 23.24 C ATOM 1232 C VAL A 78 -8.686 -2.868 -0.669 1.00 0.31 C ATOM 1233 O VAL A 78 -9.179 -3.796 -1.319 1.00 10.53 O ATOM 1234 CB VAL A 78 -6.756 -3.168 0.918 1.00 71.21 C ATOM 1235 CG1 VAL A 78 -7.228 -4.593 1.206 1.00 23.32 C ATOM 1236 CG2 VAL A 78 -5.247 -3.041 1.116 1.00 40.40 C ATOM 0 H VAL A 78 -6.244 -0.893 -0.019 1.00 32.22 H new ATOM 0 HA VAL A 78 -6.658 -3.366 -1.237 1.00 23.24 H new ATOM 0 HB VAL A 78 -7.248 -2.504 1.629 1.00 71.21 H new ATOM 0 HG11 VAL A 78 -6.930 -4.878 2.215 1.00 23.32 H new ATOM 0 HG12 VAL A 78 -8.314 -4.641 1.121 1.00 23.32 H new ATOM 0 HG13 VAL A 78 -6.777 -5.278 0.488 1.00 23.32 H new ATOM 0 HG21 VAL A 78 -4.985 -3.357 2.126 1.00 40.40 H new ATOM 0 HG22 VAL A 78 -4.731 -3.672 0.393 1.00 40.40 H new ATOM 0 HG23 VAL A 78 -4.947 -2.003 0.971 1.00 40.40 H new ATOM 1246 N ALA A 79 -9.423 -1.926 -0.079 1.00 40.42 N ATOM 1247 CA ALA A 79 -10.888 -1.895 -0.184 1.00 54.13 C ATOM 1248 C ALA A 79 -11.355 -1.692 -1.635 1.00 63.50 C ATOM 1249 O ALA A 79 -12.483 -2.037 -1.989 1.00 70.42 O ATOM 1250 CB ALA A 79 -11.455 -0.798 0.710 1.00 40.21 C ATOM 0 H ALA A 79 -9.030 -1.169 0.480 1.00 40.42 H new ATOM 0 HA ALA A 79 -11.263 -2.863 0.149 1.00 54.13 H new ATOM 0 HB1 ALA A 79 -12.542 -0.784 0.624 1.00 40.21 H new ATOM 0 HB2 ALA A 79 -11.175 -0.992 1.746 1.00 40.21 H new ATOM 0 HB3 ALA A 79 -11.054 0.167 0.400 1.00 40.21 H new ATOM 1256 N LYS A 80 -10.485 -1.122 -2.465 1.00 4.52 N ATOM 1257 CA LYS A 80 -10.792 -0.896 -3.882 1.00 11.53 C ATOM 1258 C LYS A 80 -10.515 -2.153 -4.731 1.00 64.11 C ATOM 1259 O LYS A 80 -11.338 -2.552 -5.554 1.00 33.54 O ATOM 1260 CB LYS A 80 -9.960 0.286 -4.408 1.00 24.41 C ATOM 1261 CG LYS A 80 -10.242 0.687 -5.864 1.00 22.24 C ATOM 1262 CD LYS A 80 -11.544 1.487 -6.029 1.00 35.12 C ATOM 1263 CE LYS A 80 -12.790 0.608 -5.968 1.00 42.41 C ATOM 1264 NZ LYS A 80 -14.041 1.403 -6.081 1.00 35.41 N ATOM 0 H LYS A 80 -9.557 -0.806 -2.183 1.00 4.52 H new ATOM 0 HA LYS A 80 -11.854 -0.667 -3.966 1.00 11.53 H new ATOM 0 HB2 LYS A 80 -10.141 1.150 -3.768 1.00 24.41 H new ATOM 0 HB3 LYS A 80 -8.903 0.036 -4.315 1.00 24.41 H new ATOM 0 HG2 LYS A 80 -9.408 1.281 -6.239 1.00 22.24 H new ATOM 0 HG3 LYS A 80 -10.295 -0.212 -6.478 1.00 22.24 H new ATOM 0 HD2 LYS A 80 -11.601 2.245 -5.248 1.00 35.12 H new ATOM 0 HD3 LYS A 80 -11.523 2.014 -6.983 1.00 35.12 H new ATOM 0 HE2 LYS A 80 -12.754 -0.127 -6.772 1.00 42.41 H new ATOM 0 HE3 LYS A 80 -12.797 0.054 -5.029 1.00 42.41 H new ATOM 0 HZ1 LYS A 80 -14.862 0.766 -6.035 1.00 35.41 H new ATOM 0 HZ2 LYS A 80 -14.089 2.087 -5.299 1.00 35.41 H new ATOM 0 HZ3 LYS A 80 -14.048 1.912 -6.988 1.00 35.41 H new ATOM 1278 N VAL A 81 -9.351 -2.770 -4.520 1.00 30.21 N ATOM 1279 CA VAL A 81 -8.940 -3.953 -5.292 1.00 15.01 C ATOM 1280 C VAL A 81 -9.656 -5.232 -4.816 1.00 25.23 C ATOM 1281 O VAL A 81 -10.287 -5.939 -5.607 1.00 2.11 O ATOM 1282 CB VAL A 81 -7.403 -4.167 -5.203 1.00 32.25 C ATOM 1283 CG1 VAL A 81 -6.969 -5.393 -6.010 1.00 61.35 C ATOM 1284 CG2 VAL A 81 -6.658 -2.916 -5.667 1.00 30.44 C ATOM 0 H VAL A 81 -8.672 -2.472 -3.820 1.00 30.21 H new ATOM 0 HA VAL A 81 -9.224 -3.763 -6.327 1.00 15.01 H new ATOM 0 HB VAL A 81 -7.147 -4.349 -4.159 1.00 32.25 H new ATOM 0 HG11 VAL A 81 -5.889 -5.518 -5.929 1.00 61.35 H new ATOM 0 HG12 VAL A 81 -7.467 -6.280 -5.620 1.00 61.35 H new ATOM 0 HG13 VAL A 81 -7.241 -5.255 -7.056 1.00 61.35 H new ATOM 0 HG21 VAL A 81 -5.584 -3.086 -5.597 1.00 30.44 H new ATOM 0 HG22 VAL A 81 -6.924 -2.696 -6.701 1.00 30.44 H new ATOM 0 HG23 VAL A 81 -6.934 -2.072 -5.034 1.00 30.44 H new ATOM 1294 N MET A 82 -9.549 -5.527 -3.522 1.00 23.12 N ATOM 1295 CA MET A 82 -10.163 -6.732 -2.945 1.00 12.40 C ATOM 1296 C MET A 82 -11.656 -6.520 -2.642 1.00 14.14 C ATOM 1297 O MET A 82 -12.419 -7.483 -2.543 1.00 42.13 O ATOM 1298 CB MET A 82 -9.419 -7.145 -1.667 1.00 12.24 C ATOM 1299 CG MET A 82 -7.946 -7.466 -1.892 1.00 71.35 C ATOM 1300 SD MET A 82 -7.703 -8.806 -3.079 1.00 54.24 S ATOM 1301 CE MET A 82 -8.477 -10.176 -2.217 1.00 41.42 C ATOM 0 H MET A 82 -9.044 -4.951 -2.849 1.00 23.12 H new ATOM 0 HA MET A 82 -10.084 -7.530 -3.683 1.00 12.40 H new ATOM 0 HB2 MET A 82 -9.499 -6.341 -0.935 1.00 12.24 H new ATOM 0 HB3 MET A 82 -9.910 -8.018 -1.237 1.00 12.24 H new ATOM 0 HG2 MET A 82 -7.433 -6.572 -2.248 1.00 71.35 H new ATOM 0 HG3 MET A 82 -7.488 -7.739 -0.942 1.00 71.35 H new ATOM 0 HE1 MET A 82 -7.814 -11.041 -2.238 1.00 41.42 H new ATOM 0 HE2 MET A 82 -8.670 -9.892 -1.182 1.00 41.42 H new ATOM 0 HE3 MET A 82 -9.418 -10.428 -2.706 1.00 41.42 H new ATOM 1311 N GLN A 83 -12.054 -5.255 -2.473 1.00 24.44 N ATOM 1312 CA GLN A 83 -13.458 -4.884 -2.217 1.00 0.44 C ATOM 1313 C GLN A 83 -14.007 -5.498 -0.919 1.00 4.12 C ATOM 1314 O GLN A 83 -15.207 -5.421 -0.648 1.00 63.41 O ATOM 1315 CB GLN A 83 -14.343 -5.278 -3.410 1.00 1.44 C ATOM 1316 CG GLN A 83 -14.029 -4.511 -4.691 1.00 63.34 C ATOM 1317 CD GLN A 83 -14.915 -4.918 -5.858 1.00 13.01 C ATOM 1318 OE1 GLN A 83 -15.349 -6.062 -5.962 1.00 31.02 O ATOM 1319 NE2 GLN A 83 -15.201 -3.980 -6.739 1.00 61.01 N ATOM 0 H GLN A 83 -11.418 -4.459 -2.509 1.00 24.44 H new ATOM 0 HA GLN A 83 -13.481 -3.802 -2.091 1.00 0.44 H new ATOM 0 HB2 GLN A 83 -14.227 -6.345 -3.599 1.00 1.44 H new ATOM 0 HB3 GLN A 83 -15.387 -5.113 -3.146 1.00 1.44 H new ATOM 0 HG2 GLN A 83 -14.147 -3.443 -4.507 1.00 63.34 H new ATOM 0 HG3 GLN A 83 -12.985 -4.675 -4.960 1.00 63.34 H new ATOM 0 HE21 GLN A 83 -14.824 -3.039 -6.623 1.00 61.01 H new ATOM 0 HE22 GLN A 83 -15.799 -4.195 -7.537 1.00 61.01 H new