USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 952 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 120 GLN :FLIP amide:sc= -0.0551 F(o=-5.9!,f=-2.5) USER MOD Set 1.2: A 122 MET CE :methyl 167:sc= -2.41 (180deg=-2.67!) USER MOD Set 2.1: A 86 SER OG : rot -66:sc= 1.26 USER MOD Set 2.2: A 108 ASN : amide:sc= 1.02 K(o=2.3,f=-1.3) USER MOD Set 3.1: A 89 HIS : no HD1:sc= -4.08! C(o=-2!,f=-11!) USER MOD Set 3.2: A 106 SER OG : rot -45:sc= 1.23 USER MOD Set 3.3: A 110 THR OG1 : rot 96:sc= 0.838 USER MOD Single : A 16 SER OG : rot 25:sc= 0.141 USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.078) USER MOD Single : A 26 MET CE :methyl -163:sc= -0.0684 (180deg=-0.427) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -141:sc= 0.612 USER MOD Single : A 30 THR OG1 : rot 100:sc= 1.25 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 47:sc= 0.329 USER MOD Single : A 37 THR OG1 : rot -93:sc= 0.0461 USER MOD Single : A 41 ASN : amide:sc=-0.00734 X(o=-0.0073,f=-0.0073) USER MOD Single : A 46 SER OG : rot -136:sc= 1.24 USER MOD Single : A 52 LYS NZ :NH3+ 135:sc= 1.26 (180deg=0.481) USER MOD Single : A 56 ASN : amide:sc= 0.672 K(o=0.67,f=-7!) USER MOD Single : A 65 GLN :FLIP amide:sc= 0.609 F(o=-1.1,f=0.61) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0416 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -2.03! C(o=-3.3!,f=-2!) USER MOD Single : A 76 SER OG : rot 89:sc= 0.00973 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 111 TYR OH : rot 165:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.98 K(o=2,f=-5.7!) USER MOD Single : A 118 ASN : amide:sc= 1.19 K(o=1.2,f=-0.2) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 124 THR OG1 : rot -120:sc= -1.18 USER MOD Single : A 129 GLN : amide:sc= -0.676 K(o=-0.68,f=-5.3!) USER MOD Single : A 132 LYS NZ :NH3+ 150:sc= 0.766 (180deg=-0.0439) USER MOD ----------------------------------------------------------------- ATOM 214 N SER A 16 3.094 19.291 7.582 1.00 33.24 N ATOM 215 CA SER A 16 1.927 19.488 8.373 1.00 71.40 C ATOM 216 C SER A 16 0.830 18.539 7.881 1.00 2.21 C ATOM 217 O SER A 16 0.823 18.149 6.696 1.00 72.01 O ATOM 218 CB SER A 16 1.502 20.942 8.262 1.00 54.32 C ATOM 219 OG SER A 16 2.572 21.813 8.648 1.00 14.52 O ATOM 0 HA SER A 16 2.122 19.268 9.423 1.00 71.40 H new ATOM 0 HB2 SER A 16 1.200 21.161 7.238 1.00 54.32 H new ATOM 0 HB3 SER A 16 0.634 21.122 8.896 1.00 54.32 H new ATOM 0 HG SER A 16 3.429 21.355 8.520 1.00 14.52 H new ATOM 225 N VAL A 17 -0.073 18.160 8.762 1.00 44.13 N ATOM 226 CA VAL A 17 -1.100 17.214 8.413 1.00 30.04 C ATOM 227 C VAL A 17 -2.236 17.935 7.728 1.00 2.23 C ATOM 228 O VAL A 17 -2.883 18.804 8.318 1.00 62.40 O ATOM 229 CB VAL A 17 -1.656 16.467 9.662 1.00 34.15 C ATOM 230 CG1 VAL A 17 -2.697 15.430 9.257 1.00 14.41 C ATOM 231 CG2 VAL A 17 -0.535 15.816 10.462 1.00 10.50 C ATOM 0 H VAL A 17 -0.112 18.496 9.724 1.00 44.13 H new ATOM 0 HA VAL A 17 -0.654 16.475 7.747 1.00 30.04 H new ATOM 0 HB VAL A 17 -2.139 17.207 10.301 1.00 34.15 H new ATOM 0 HG11 VAL A 17 -3.070 14.922 10.146 1.00 14.41 H new ATOM 0 HG12 VAL A 17 -3.524 15.925 8.748 1.00 14.41 H new ATOM 0 HG13 VAL A 17 -2.242 14.701 8.587 1.00 14.41 H new ATOM 0 HG21 VAL A 17 -0.956 15.303 11.327 1.00 10.50 H new ATOM 0 HG22 VAL A 17 -0.010 15.097 9.834 1.00 10.50 H new ATOM 0 HG23 VAL A 17 0.164 16.582 10.799 1.00 10.50 H new ATOM 241 N PHE A 18 -2.453 17.613 6.494 1.00 60.25 N ATOM 242 CA PHE A 18 -3.533 18.184 5.757 1.00 51.34 C ATOM 243 C PHE A 18 -4.685 17.194 5.740 1.00 54.23 C ATOM 244 O PHE A 18 -4.649 16.173 5.056 1.00 63.33 O ATOM 245 CB PHE A 18 -3.079 18.620 4.329 1.00 52.20 C ATOM 246 CG PHE A 18 -2.462 17.529 3.466 1.00 51.11 C ATOM 247 CD1 PHE A 18 -1.170 17.074 3.704 1.00 4.45 C ATOM 248 CD2 PHE A 18 -3.173 16.973 2.416 1.00 70.41 C ATOM 249 CE1 PHE A 18 -0.610 16.089 2.917 1.00 31.14 C ATOM 250 CE2 PHE A 18 -2.614 15.989 1.628 1.00 45.12 C ATOM 251 CZ PHE A 18 -1.334 15.546 1.880 1.00 10.34 C ATOM 0 H PHE A 18 -1.887 16.947 5.969 1.00 60.25 H new ATOM 0 HA PHE A 18 -3.876 19.098 6.242 1.00 51.34 H new ATOM 0 HB2 PHE A 18 -3.942 19.028 3.803 1.00 52.20 H new ATOM 0 HB3 PHE A 18 -2.356 19.429 4.430 1.00 52.20 H new ATOM 0 HD1 PHE A 18 -0.597 17.497 4.516 1.00 4.45 H new ATOM 0 HD2 PHE A 18 -4.177 17.314 2.212 1.00 70.41 H new ATOM 0 HE1 PHE A 18 0.394 15.745 3.114 1.00 31.14 H new ATOM 0 HE2 PHE A 18 -3.180 15.565 0.812 1.00 45.12 H new ATOM 0 HZ PHE A 18 -0.899 14.773 1.264 1.00 10.34 H new ATOM 261 N ARG A 19 -5.690 17.475 6.512 1.00 23.11 N ATOM 262 CA ARG A 19 -6.794 16.581 6.625 1.00 3.21 C ATOM 263 C ARG A 19 -8.130 17.257 6.364 1.00 75.02 C ATOM 264 O ARG A 19 -8.459 18.275 6.956 1.00 75.14 O ATOM 265 CB ARG A 19 -6.729 15.739 7.940 1.00 24.44 C ATOM 266 CG ARG A 19 -6.494 16.512 9.253 1.00 13.42 C ATOM 267 CD ARG A 19 -7.708 17.305 9.695 1.00 12.22 C ATOM 268 NE ARG A 19 -8.850 16.434 9.950 1.00 74.41 N ATOM 269 CZ ARG A 19 -10.121 16.718 9.684 1.00 73.44 C ATOM 270 NH1 ARG A 19 -10.444 17.854 9.072 1.00 40.23 N ATOM 271 NH2 ARG A 19 -11.059 15.838 10.002 1.00 34.01 N ATOM 0 H ARG A 19 -5.765 18.322 7.075 1.00 23.11 H new ATOM 0 HA ARG A 19 -6.708 15.853 5.819 1.00 3.21 H new ATOM 0 HB2 ARG A 19 -7.663 15.186 8.035 1.00 24.44 H new ATOM 0 HB3 ARG A 19 -5.932 15.003 7.832 1.00 24.44 H new ATOM 0 HG2 ARG A 19 -6.220 15.808 10.039 1.00 13.42 H new ATOM 0 HG3 ARG A 19 -5.650 17.190 9.124 1.00 13.42 H new ATOM 0 HD2 ARG A 19 -7.468 17.867 10.598 1.00 12.22 H new ATOM 0 HD3 ARG A 19 -7.968 18.033 8.927 1.00 12.22 H new ATOM 0 HE ARG A 19 -8.656 15.525 10.370 1.00 74.41 H new ATOM 0 HH11 ARG A 19 -9.714 18.514 8.803 1.00 40.23 H new ATOM 0 HH12 ARG A 19 -11.422 18.065 8.871 1.00 40.23 H new ATOM 0 HH21 ARG A 19 -10.802 14.956 10.445 1.00 34.01 H new ATOM 0 HH22 ARG A 19 -12.038 16.043 9.804 1.00 34.01 H new ATOM 285 N ALA A 20 -8.847 16.692 5.432 1.00 64.10 N ATOM 286 CA ALA A 20 -10.176 17.148 4.997 1.00 55.11 C ATOM 287 C ALA A 20 -10.741 16.109 4.080 1.00 24.21 C ATOM 288 O ALA A 20 -11.932 15.771 4.109 1.00 30.24 O ATOM 289 CB ALA A 20 -10.110 18.500 4.284 1.00 21.30 C ATOM 0 H ALA A 20 -8.526 15.868 4.924 1.00 64.10 H new ATOM 0 HA ALA A 20 -10.812 17.283 5.872 1.00 55.11 H new ATOM 0 HB1 ALA A 20 -11.113 18.800 3.979 1.00 21.30 H new ATOM 0 HB2 ALA A 20 -9.697 19.248 4.961 1.00 21.30 H new ATOM 0 HB3 ALA A 20 -9.473 18.416 3.403 1.00 21.30 H new ATOM 295 N ASP A 21 -9.837 15.575 3.305 1.00 12.12 N ATOM 296 CA ASP A 21 -10.063 14.487 2.336 1.00 14.52 C ATOM 297 C ASP A 21 -10.780 13.273 2.899 1.00 62.34 C ATOM 298 O ASP A 21 -11.294 12.491 2.143 1.00 4.22 O ATOM 299 CB ASP A 21 -8.757 14.034 1.677 1.00 74.22 C ATOM 300 CG ASP A 21 -8.295 14.951 0.579 1.00 32.24 C ATOM 301 OD1 ASP A 21 -7.756 16.035 0.873 1.00 35.52 O ATOM 302 OD2 ASP A 21 -8.471 14.597 -0.603 1.00 53.05 O ATOM 0 H ASP A 21 -8.867 15.889 3.317 1.00 12.12 H new ATOM 0 HA ASP A 21 -10.726 14.931 1.594 1.00 14.52 H new ATOM 0 HB2 ASP A 21 -7.979 13.968 2.437 1.00 74.22 H new ATOM 0 HB3 ASP A 21 -8.892 13.032 1.271 1.00 74.22 H new ATOM 307 N LEU A 22 -10.827 13.129 4.218 1.00 72.12 N ATOM 308 CA LEU A 22 -11.528 12.005 4.847 1.00 20.14 C ATOM 309 C LEU A 22 -13.002 11.997 4.454 1.00 2.02 C ATOM 310 O LEU A 22 -13.558 10.962 4.138 1.00 35.05 O ATOM 311 CB LEU A 22 -11.405 12.016 6.389 1.00 4.22 C ATOM 312 CG LEU A 22 -10.016 11.748 7.007 1.00 33.22 C ATOM 313 CD1 LEU A 22 -9.045 12.900 6.780 1.00 30.12 C ATOM 314 CD2 LEU A 22 -10.153 11.436 8.487 1.00 10.31 C ATOM 0 H LEU A 22 -10.390 13.774 4.876 1.00 72.12 H new ATOM 0 HA LEU A 22 -11.046 11.099 4.481 1.00 20.14 H new ATOM 0 HB2 LEU A 22 -11.747 12.988 6.744 1.00 4.22 H new ATOM 0 HB3 LEU A 22 -12.096 11.271 6.784 1.00 4.22 H new ATOM 0 HG LEU A 22 -9.594 10.881 6.498 1.00 33.22 H new ATOM 0 HD11 LEU A 22 -8.084 12.660 7.234 1.00 30.12 H new ATOM 0 HD12 LEU A 22 -8.911 13.058 5.710 1.00 30.12 H new ATOM 0 HD13 LEU A 22 -9.444 13.807 7.233 1.00 30.12 H new ATOM 0 HD21 LEU A 22 -9.167 11.249 8.912 1.00 10.31 H new ATOM 0 HD22 LEU A 22 -10.613 12.283 8.996 1.00 10.31 H new ATOM 0 HD23 LEU A 22 -10.778 10.552 8.616 1.00 10.31 H new ATOM 326 N LEU A 23 -13.615 13.167 4.433 1.00 72.14 N ATOM 327 CA LEU A 23 -15.017 13.271 4.061 1.00 5.41 C ATOM 328 C LEU A 23 -15.147 13.192 2.548 1.00 52.52 C ATOM 329 O LEU A 23 -16.082 12.591 2.021 1.00 72.35 O ATOM 330 CB LEU A 23 -15.626 14.576 4.569 1.00 12.24 C ATOM 331 CG LEU A 23 -17.110 14.788 4.247 1.00 32.44 C ATOM 332 CD1 LEU A 23 -17.980 13.757 4.953 1.00 41.33 C ATOM 333 CD2 LEU A 23 -17.536 16.189 4.607 1.00 15.04 C ATOM 0 H LEU A 23 -13.169 14.054 4.667 1.00 72.14 H new ATOM 0 HA LEU A 23 -15.559 12.445 4.520 1.00 5.41 H new ATOM 0 HB2 LEU A 23 -15.498 14.618 5.651 1.00 12.24 H new ATOM 0 HB3 LEU A 23 -15.060 15.407 4.149 1.00 12.24 H new ATOM 0 HG LEU A 23 -17.244 14.654 3.174 1.00 32.44 H new ATOM 0 HD11 LEU A 23 -19.027 13.933 4.705 1.00 41.33 H new ATOM 0 HD12 LEU A 23 -17.694 12.756 4.629 1.00 41.33 H new ATOM 0 HD13 LEU A 23 -17.843 13.842 6.031 1.00 41.33 H new ATOM 0 HD21 LEU A 23 -18.592 16.320 4.371 1.00 15.04 H new ATOM 0 HD22 LEU A 23 -17.379 16.354 5.673 1.00 15.04 H new ATOM 0 HD23 LEU A 23 -16.945 16.907 4.038 1.00 15.04 H new ATOM 345 N LYS A 24 -14.171 13.778 1.868 1.00 14.43 N ATOM 346 CA LYS A 24 -14.118 13.812 0.409 1.00 34.23 C ATOM 347 C LYS A 24 -14.072 12.372 -0.122 1.00 51.23 C ATOM 348 O LYS A 24 -14.774 12.003 -1.074 1.00 34.15 O ATOM 349 CB LYS A 24 -12.848 14.559 -0.019 1.00 45.11 C ATOM 350 CG LYS A 24 -12.786 14.939 -1.483 1.00 23.12 C ATOM 351 CD LYS A 24 -13.777 16.043 -1.797 1.00 5.31 C ATOM 352 CE LYS A 24 -13.737 16.438 -3.260 1.00 15.22 C ATOM 353 NZ LYS A 24 -14.215 15.359 -4.149 1.00 31.32 N ATOM 0 H LYS A 24 -13.385 14.248 2.316 1.00 14.43 H new ATOM 0 HA LYS A 24 -14.996 14.319 0.009 1.00 34.23 H new ATOM 0 HB2 LYS A 24 -12.760 15.466 0.579 1.00 45.11 H new ATOM 0 HB3 LYS A 24 -11.984 13.938 0.215 1.00 45.11 H new ATOM 0 HG2 LYS A 24 -11.778 15.267 -1.735 1.00 23.12 H new ATOM 0 HG3 LYS A 24 -13.001 14.066 -2.099 1.00 23.12 H new ATOM 0 HD2 LYS A 24 -14.783 15.713 -1.537 1.00 5.31 H new ATOM 0 HD3 LYS A 24 -13.558 16.914 -1.179 1.00 5.31 H new ATOM 0 HE2 LYS A 24 -14.350 17.327 -3.410 1.00 15.22 H new ATOM 0 HE3 LYS A 24 -12.716 16.705 -3.534 1.00 15.22 H new ATOM 0 HZ1 LYS A 24 -14.297 15.721 -5.121 1.00 31.32 H new ATOM 0 HZ2 LYS A 24 -13.540 14.568 -4.130 1.00 31.32 H new ATOM 0 HZ3 LYS A 24 -15.145 15.027 -3.823 1.00 31.32 H new ATOM 367 N GLU A 25 -13.253 11.581 0.521 1.00 75.02 N ATOM 368 CA GLU A 25 -13.097 10.191 0.225 1.00 21.05 C ATOM 369 C GLU A 25 -14.310 9.395 0.676 1.00 24.32 C ATOM 370 O GLU A 25 -14.796 8.560 -0.071 1.00 42.13 O ATOM 371 CB GLU A 25 -11.747 9.687 0.803 1.00 12.35 C ATOM 372 CG GLU A 25 -11.585 8.188 0.998 1.00 13.35 C ATOM 373 CD GLU A 25 -12.172 7.722 2.313 1.00 1.03 C ATOM 374 OE1 GLU A 25 -11.577 8.017 3.354 1.00 4.23 O ATOM 375 OE2 GLU A 25 -13.203 7.027 2.321 1.00 71.23 O ATOM 0 H GLU A 25 -12.661 11.901 1.287 1.00 75.02 H new ATOM 0 HA GLU A 25 -13.050 10.039 -0.853 1.00 21.05 H new ATOM 0 HB2 GLU A 25 -10.950 10.029 0.143 1.00 12.35 H new ATOM 0 HB3 GLU A 25 -11.592 10.171 1.767 1.00 12.35 H new ATOM 0 HG2 GLU A 25 -12.071 7.661 0.177 1.00 13.35 H new ATOM 0 HG3 GLU A 25 -10.527 7.930 0.961 1.00 13.35 H new ATOM 382 N MET A 26 -14.822 9.688 1.877 1.00 60.31 N ATOM 383 CA MET A 26 -16.007 9.000 2.426 1.00 4.31 C ATOM 384 C MET A 26 -17.198 9.141 1.479 1.00 15.43 C ATOM 385 O MET A 26 -17.978 8.204 1.290 1.00 24.24 O ATOM 386 CB MET A 26 -16.369 9.562 3.813 1.00 15.33 C ATOM 387 CG MET A 26 -17.578 8.901 4.474 1.00 41.14 C ATOM 388 SD MET A 26 -18.004 9.636 6.082 1.00 23.04 S ATOM 389 CE MET A 26 -16.520 9.283 7.032 1.00 14.54 C ATOM 0 H MET A 26 -14.434 10.401 2.495 1.00 60.31 H new ATOM 0 HA MET A 26 -15.764 7.942 2.530 1.00 4.31 H new ATOM 0 HB2 MET A 26 -15.507 9.452 4.471 1.00 15.33 H new ATOM 0 HB3 MET A 26 -16.563 10.630 3.718 1.00 15.33 H new ATOM 0 HG2 MET A 26 -18.437 8.979 3.807 1.00 41.14 H new ATOM 0 HG3 MET A 26 -17.375 7.839 4.609 1.00 41.14 H new ATOM 0 HE1 MET A 26 -16.734 9.393 8.095 1.00 14.54 H new ATOM 0 HE2 MET A 26 -16.194 8.263 6.831 1.00 14.54 H new ATOM 0 HE3 MET A 26 -15.731 9.979 6.747 1.00 14.54 H new ATOM 399 N GLU A 27 -17.296 10.299 0.860 1.00 3.42 N ATOM 400 CA GLU A 27 -18.350 10.608 -0.090 1.00 54.44 C ATOM 401 C GLU A 27 -18.247 9.685 -1.330 1.00 11.14 C ATOM 402 O GLU A 27 -19.232 9.403 -1.988 1.00 40.51 O ATOM 403 CB GLU A 27 -18.216 12.074 -0.525 1.00 34.05 C ATOM 404 CG GLU A 27 -19.416 12.631 -1.272 1.00 72.32 C ATOM 405 CD GLU A 27 -20.627 12.765 -0.380 1.00 10.41 C ATOM 406 OE1 GLU A 27 -21.393 11.790 -0.220 1.00 64.44 O ATOM 407 OE2 GLU A 27 -20.843 13.845 0.186 1.00 32.13 O ATOM 0 H GLU A 27 -16.637 11.065 1.003 1.00 3.42 H new ATOM 0 HA GLU A 27 -19.319 10.447 0.383 1.00 54.44 H new ATOM 0 HB2 GLU A 27 -18.041 12.686 0.360 1.00 34.05 H new ATOM 0 HB3 GLU A 27 -17.335 12.171 -1.159 1.00 34.05 H new ATOM 0 HG2 GLU A 27 -19.163 13.606 -1.688 1.00 72.32 H new ATOM 0 HG3 GLU A 27 -19.655 11.978 -2.112 1.00 72.32 H new ATOM 414 N SER A 28 -17.052 9.209 -1.612 1.00 42.33 N ATOM 415 CA SER A 28 -16.809 8.381 -2.769 1.00 54.23 C ATOM 416 C SER A 28 -16.792 6.887 -2.394 1.00 35.14 C ATOM 417 O SER A 28 -17.262 6.046 -3.154 1.00 42.21 O ATOM 418 CB SER A 28 -15.474 8.797 -3.423 1.00 1.14 C ATOM 419 OG SER A 28 -15.214 8.094 -4.642 1.00 11.32 O ATOM 0 H SER A 28 -16.224 9.387 -1.044 1.00 42.33 H new ATOM 0 HA SER A 28 -17.621 8.526 -3.482 1.00 54.23 H new ATOM 0 HB2 SER A 28 -15.490 9.868 -3.623 1.00 1.14 H new ATOM 0 HB3 SER A 28 -14.659 8.615 -2.723 1.00 1.14 H new ATOM 0 HG SER A 28 -14.360 8.394 -5.017 1.00 11.32 H new ATOM 425 N SER A 29 -16.262 6.568 -1.228 1.00 3.11 N ATOM 426 CA SER A 29 -16.119 5.189 -0.805 1.00 70.03 C ATOM 427 C SER A 29 -17.443 4.577 -0.368 1.00 51.34 C ATOM 428 O SER A 29 -17.600 3.358 -0.388 1.00 24.11 O ATOM 429 CB SER A 29 -15.079 5.096 0.300 1.00 44.55 C ATOM 430 OG SER A 29 -15.387 6.007 1.342 1.00 33.34 O ATOM 0 H SER A 29 -15.921 7.252 -0.553 1.00 3.11 H new ATOM 0 HA SER A 29 -15.781 4.608 -1.663 1.00 70.03 H new ATOM 0 HB2 SER A 29 -15.046 4.080 0.694 1.00 44.55 H new ATOM 0 HB3 SER A 29 -14.090 5.314 -0.103 1.00 44.55 H new ATOM 0 HG SER A 29 -14.560 6.408 1.681 1.00 33.34 H new ATOM 436 N THR A 30 -18.385 5.419 0.041 1.00 53.55 N ATOM 437 CA THR A 30 -19.695 4.954 0.441 1.00 31.32 C ATOM 438 C THR A 30 -20.446 4.361 -0.753 1.00 4.44 C ATOM 439 O THR A 30 -20.743 5.053 -1.734 1.00 63.13 O ATOM 440 CB THR A 30 -20.517 6.083 1.101 1.00 63.34 C ATOM 441 OG1 THR A 30 -19.810 6.550 2.269 1.00 53.40 O ATOM 442 CG2 THR A 30 -21.907 5.599 1.514 1.00 23.30 C ATOM 0 H THR A 30 -18.259 6.429 0.102 1.00 53.55 H new ATOM 0 HA THR A 30 -19.556 4.169 1.184 1.00 31.32 H new ATOM 0 HB THR A 30 -20.642 6.887 0.376 1.00 63.34 H new ATOM 0 HG1 THR A 30 -19.327 7.374 2.051 1.00 53.40 H new ATOM 0 HG21 THR A 30 -22.456 6.420 1.975 1.00 23.30 H new ATOM 0 HG22 THR A 30 -22.447 5.250 0.634 1.00 23.30 H new ATOM 0 HG23 THR A 30 -21.810 4.781 2.228 1.00 23.30 H new ATOM 450 N GLY A 31 -20.694 3.091 -0.669 1.00 64.11 N ATOM 451 CA GLY A 31 -21.377 2.377 -1.690 1.00 65.43 C ATOM 452 C GLY A 31 -21.008 0.934 -1.606 1.00 35.30 C ATOM 453 O GLY A 31 -21.804 0.104 -1.189 1.00 34.34 O ATOM 0 H GLY A 31 -20.420 2.516 0.128 1.00 64.11 H new ATOM 0 HA2 GLY A 31 -22.454 2.497 -1.577 1.00 65.43 H new ATOM 0 HA3 GLY A 31 -21.113 2.776 -2.669 1.00 65.43 H new ATOM 457 N THR A 32 -19.795 0.636 -1.950 1.00 65.13 N ATOM 458 CA THR A 32 -19.309 -0.708 -1.892 1.00 30.23 C ATOM 459 C THR A 32 -18.185 -0.856 -0.872 1.00 64.10 C ATOM 460 O THR A 32 -17.320 0.024 -0.737 1.00 13.43 O ATOM 461 CB THR A 32 -18.861 -1.192 -3.278 1.00 22.44 C ATOM 462 OG1 THR A 32 -18.125 -0.147 -3.941 1.00 64.04 O ATOM 463 CG2 THR A 32 -20.061 -1.597 -4.123 1.00 32.05 C ATOM 0 H THR A 32 -19.112 1.318 -2.280 1.00 65.13 H new ATOM 0 HA THR A 32 -20.134 -1.339 -1.563 1.00 30.23 H new ATOM 0 HB THR A 32 -18.220 -2.065 -3.151 1.00 22.44 H new ATOM 0 HG1 THR A 32 -17.839 -0.459 -4.825 1.00 64.04 H new ATOM 0 HG21 THR A 32 -19.719 -1.937 -5.101 1.00 32.05 H new ATOM 0 HG22 THR A 32 -20.600 -2.404 -3.627 1.00 32.05 H new ATOM 0 HG23 THR A 32 -20.724 -0.741 -4.247 1.00 32.05 H new ATOM 471 N ALA A 33 -18.222 -1.925 -0.133 1.00 44.15 N ATOM 472 CA ALA A 33 -17.204 -2.229 0.841 1.00 52.31 C ATOM 473 C ALA A 33 -16.277 -3.299 0.260 1.00 23.40 C ATOM 474 O ALA A 33 -16.706 -4.052 -0.635 1.00 51.45 O ATOM 475 CB ALA A 33 -17.861 -2.726 2.123 1.00 65.00 C ATOM 0 H ALA A 33 -18.966 -2.621 -0.186 1.00 44.15 H new ATOM 0 HA ALA A 33 -16.622 -1.338 1.075 1.00 52.31 H new ATOM 0 HB1 ALA A 33 -17.092 -2.956 2.860 1.00 65.00 H new ATOM 0 HB2 ALA A 33 -18.521 -1.953 2.517 1.00 65.00 H new ATOM 0 HB3 ALA A 33 -18.440 -3.624 1.910 1.00 65.00 H new ATOM 481 N PRO A 34 -14.999 -3.371 0.714 1.00 65.41 N ATOM 482 CA PRO A 34 -14.048 -4.400 0.248 1.00 1.54 C ATOM 483 C PRO A 34 -14.569 -5.816 0.512 1.00 12.53 C ATOM 484 O PRO A 34 -15.336 -6.043 1.460 1.00 3.05 O ATOM 485 CB PRO A 34 -12.786 -4.134 1.082 1.00 33.21 C ATOM 486 CG PRO A 34 -12.901 -2.706 1.491 1.00 62.03 C ATOM 487 CD PRO A 34 -14.368 -2.454 1.689 1.00 24.32 C ATOM 0 HA PRO A 34 -13.879 -4.343 -0.827 1.00 1.54 H new ATOM 0 HB2 PRO A 34 -12.738 -4.792 1.949 1.00 33.21 H new ATOM 0 HB3 PRO A 34 -11.881 -4.308 0.499 1.00 33.21 H new ATOM 0 HG2 PRO A 34 -12.344 -2.516 2.409 1.00 62.03 H new ATOM 0 HG3 PRO A 34 -12.491 -2.046 0.727 1.00 62.03 H new ATOM 0 HD2 PRO A 34 -14.681 -2.673 2.710 1.00 24.32 H new ATOM 0 HD3 PRO A 34 -14.629 -1.414 1.492 1.00 24.32 H new ATOM 495 N ALA A 35 -14.173 -6.749 -0.312 1.00 2.23 N ATOM 496 CA ALA A 35 -14.639 -8.109 -0.183 1.00 42.11 C ATOM 497 C ALA A 35 -13.675 -8.924 0.660 1.00 12.32 C ATOM 498 O ALA A 35 -12.454 -8.718 0.601 1.00 62.03 O ATOM 499 CB ALA A 35 -14.812 -8.741 -1.558 1.00 3.41 C ATOM 0 H ALA A 35 -13.525 -6.594 -1.085 1.00 2.23 H new ATOM 0 HA ALA A 35 -15.607 -8.098 0.318 1.00 42.11 H new ATOM 0 HB1 ALA A 35 -15.164 -9.766 -1.445 1.00 3.41 H new ATOM 0 HB2 ALA A 35 -15.540 -8.169 -2.133 1.00 3.41 H new ATOM 0 HB3 ALA A 35 -13.856 -8.741 -2.081 1.00 3.41 H new ATOM 505 N SER A 36 -14.205 -9.823 1.448 1.00 22.30 N ATOM 506 CA SER A 36 -13.385 -10.680 2.241 1.00 25.12 C ATOM 507 C SER A 36 -12.968 -11.881 1.399 1.00 4.44 C ATOM 508 O SER A 36 -13.735 -12.832 1.218 1.00 34.14 O ATOM 509 CB SER A 36 -14.124 -11.095 3.520 1.00 52.04 C ATOM 510 OG SER A 36 -15.396 -11.682 3.228 1.00 1.51 O ATOM 0 H SER A 36 -15.208 -9.976 1.553 1.00 22.30 H new ATOM 0 HA SER A 36 -12.484 -10.154 2.557 1.00 25.12 H new ATOM 0 HB2 SER A 36 -13.515 -11.806 4.078 1.00 52.04 H new ATOM 0 HB3 SER A 36 -14.263 -10.223 4.159 1.00 52.04 H new ATOM 0 HG SER A 36 -15.293 -12.348 2.517 1.00 1.51 H new ATOM 516 N THR A 37 -11.817 -11.787 0.816 1.00 11.32 N ATOM 517 CA THR A 37 -11.307 -12.810 -0.045 1.00 11.05 C ATOM 518 C THR A 37 -10.599 -13.909 0.770 1.00 41.40 C ATOM 519 O THR A 37 -10.583 -13.866 2.006 1.00 60.43 O ATOM 520 CB THR A 37 -10.337 -12.162 -1.049 1.00 35.42 C ATOM 521 OG1 THR A 37 -9.422 -11.312 -0.333 1.00 21.34 O ATOM 522 CG2 THR A 37 -11.094 -11.332 -2.080 1.00 3.30 C ATOM 0 H THR A 37 -11.194 -10.987 0.925 1.00 11.32 H new ATOM 0 HA THR A 37 -12.129 -13.284 -0.581 1.00 11.05 H new ATOM 0 HB THR A 37 -9.795 -12.950 -1.572 1.00 35.42 H new ATOM 0 HG1 THR A 37 -9.771 -10.397 -0.315 1.00 21.34 H new ATOM 0 HG21 THR A 37 -10.386 -10.885 -2.778 1.00 3.30 H new ATOM 0 HG22 THR A 37 -11.786 -11.973 -2.626 1.00 3.30 H new ATOM 0 HG23 THR A 37 -11.652 -10.544 -1.574 1.00 3.30 H new ATOM 530 N GLY A 38 -9.952 -14.854 0.080 1.00 1.14 N ATOM 531 CA GLY A 38 -9.244 -15.940 0.747 1.00 14.35 C ATOM 532 C GLY A 38 -7.905 -15.460 1.232 1.00 20.32 C ATOM 533 O GLY A 38 -7.099 -16.205 1.797 1.00 25.45 O ATOM 0 H GLY A 38 -9.907 -14.885 -0.939 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -9.834 -16.308 1.587 1.00 14.35 H new ATOM 0 HA3 GLY A 38 -9.113 -16.776 0.060 1.00 14.35 H new ATOM 537 N ALA A 39 -7.692 -14.180 1.036 1.00 3.52 N ATOM 538 CA ALA A 39 -6.512 -13.504 1.426 1.00 1.03 C ATOM 539 C ALA A 39 -6.423 -13.424 2.955 1.00 30.31 C ATOM 540 O ALA A 39 -5.344 -13.256 3.510 1.00 54.25 O ATOM 541 CB ALA A 39 -6.510 -12.124 0.811 1.00 64.43 C ATOM 0 H ALA A 39 -8.373 -13.572 0.581 1.00 3.52 H new ATOM 0 HA ALA A 39 -5.640 -14.053 1.072 1.00 1.03 H new ATOM 0 HB1 ALA A 39 -5.604 -11.595 1.106 1.00 64.43 H new ATOM 0 HB2 ALA A 39 -6.543 -12.210 -0.275 1.00 64.43 H new ATOM 0 HB3 ALA A 39 -7.382 -11.570 1.157 1.00 64.43 H new ATOM 547 N GLU A 40 -7.567 -13.606 3.625 1.00 51.41 N ATOM 548 CA GLU A 40 -7.662 -13.539 5.097 1.00 52.14 C ATOM 549 C GLU A 40 -7.011 -14.761 5.759 1.00 12.42 C ATOM 550 O GLU A 40 -6.892 -14.840 6.976 1.00 34.13 O ATOM 551 CB GLU A 40 -9.135 -13.424 5.531 1.00 63.21 C ATOM 552 CG GLU A 40 -10.000 -14.604 5.106 1.00 3.35 C ATOM 553 CD GLU A 40 -11.437 -14.476 5.551 1.00 70.14 C ATOM 554 OE1 GLU A 40 -11.732 -14.760 6.720 1.00 51.02 O ATOM 555 OE2 GLU A 40 -12.302 -14.099 4.738 1.00 42.50 O ATOM 0 H GLU A 40 -8.456 -13.804 3.166 1.00 51.41 H new ATOM 0 HA GLU A 40 -7.121 -12.652 5.425 1.00 52.14 H new ATOM 0 HB2 GLU A 40 -9.177 -13.328 6.616 1.00 63.21 H new ATOM 0 HB3 GLU A 40 -9.556 -12.509 5.114 1.00 63.21 H new ATOM 0 HG2 GLU A 40 -9.969 -14.697 4.020 1.00 3.35 H new ATOM 0 HG3 GLU A 40 -9.579 -15.522 5.517 1.00 3.35 H new ATOM 562 N ASN A 41 -6.594 -15.698 4.946 1.00 64.12 N ATOM 563 CA ASN A 41 -5.968 -16.914 5.410 1.00 45.14 C ATOM 564 C ASN A 41 -4.468 -16.744 5.331 1.00 41.00 C ATOM 565 O ASN A 41 -3.708 -17.489 5.957 1.00 22.54 O ATOM 566 CB ASN A 41 -6.429 -18.087 4.522 1.00 35.45 C ATOM 567 CG ASN A 41 -5.811 -19.428 4.889 1.00 13.54 C ATOM 568 OD1 ASN A 41 -4.772 -19.817 4.360 1.00 13.42 O ATOM 569 ND2 ASN A 41 -6.449 -20.141 5.776 1.00 61.20 N ATOM 0 H ASN A 41 -6.680 -15.639 3.931 1.00 64.12 H new ATOM 0 HA ASN A 41 -6.250 -17.124 6.442 1.00 45.14 H new ATOM 0 HB2 ASN A 41 -7.514 -18.171 4.584 1.00 35.45 H new ATOM 0 HB3 ASN A 41 -6.186 -17.860 3.484 1.00 35.45 H new ATOM 0 HD21 ASN A 41 -6.088 -21.054 6.052 1.00 61.20 H new ATOM 0 HD22 ASN A 41 -7.309 -19.785 6.194 1.00 61.20 H new ATOM 576 N LEU A 42 -4.066 -15.678 4.626 1.00 32.22 N ATOM 577 CA LEU A 42 -2.678 -15.400 4.296 1.00 71.30 C ATOM 578 C LEU A 42 -2.119 -16.550 3.450 1.00 23.35 C ATOM 579 O LEU A 42 -1.375 -17.390 3.932 1.00 64.45 O ATOM 580 CB LEU A 42 -1.833 -15.157 5.552 1.00 51.13 C ATOM 581 CG LEU A 42 -2.207 -13.944 6.417 1.00 51.43 C ATOM 582 CD1 LEU A 42 -1.302 -13.859 7.635 1.00 24.20 C ATOM 583 CD2 LEU A 42 -2.130 -12.657 5.609 1.00 11.33 C ATOM 0 H LEU A 42 -4.714 -14.977 4.267 1.00 32.22 H new ATOM 0 HA LEU A 42 -2.632 -14.479 3.714 1.00 71.30 H new ATOM 0 HB2 LEU A 42 -1.889 -16.049 6.176 1.00 51.13 H new ATOM 0 HB3 LEU A 42 -0.793 -15.047 5.245 1.00 51.13 H new ATOM 0 HG LEU A 42 -3.235 -14.074 6.755 1.00 51.43 H new ATOM 0 HD11 LEU A 42 -1.581 -12.994 8.236 1.00 24.20 H new ATOM 0 HD12 LEU A 42 -1.409 -14.765 8.231 1.00 24.20 H new ATOM 0 HD13 LEU A 42 -0.266 -13.757 7.312 1.00 24.20 H new ATOM 0 HD21 LEU A 42 -2.399 -11.812 6.243 1.00 11.33 H new ATOM 0 HD22 LEU A 42 -1.115 -12.522 5.236 1.00 11.33 H new ATOM 0 HD23 LEU A 42 -2.821 -12.714 4.768 1.00 11.33 H new ATOM 595 N PRO A 43 -2.525 -16.617 2.170 1.00 54.22 N ATOM 596 CA PRO A 43 -2.181 -17.742 1.300 1.00 22.03 C ATOM 597 C PRO A 43 -0.694 -17.822 0.939 1.00 73.51 C ATOM 598 O PRO A 43 -0.033 -18.813 1.216 1.00 64.41 O ATOM 599 CB PRO A 43 -3.035 -17.511 0.047 1.00 54.04 C ATOM 600 CG PRO A 43 -3.385 -16.062 0.055 1.00 65.22 C ATOM 601 CD PRO A 43 -3.372 -15.614 1.485 1.00 15.10 C ATOM 0 HA PRO A 43 -2.376 -18.690 1.801 1.00 22.03 H new ATOM 0 HB2 PRO A 43 -2.484 -17.775 -0.856 1.00 54.04 H new ATOM 0 HB3 PRO A 43 -3.932 -18.130 0.066 1.00 54.04 H new ATOM 0 HG2 PRO A 43 -2.669 -15.489 -0.535 1.00 65.22 H new ATOM 0 HG3 PRO A 43 -4.367 -15.900 -0.391 1.00 65.22 H new ATOM 0 HD2 PRO A 43 -2.960 -14.610 1.584 1.00 15.10 H new ATOM 0 HD3 PRO A 43 -4.378 -15.589 1.904 1.00 15.10 H new ATOM 609 N ALA A 44 -0.180 -16.776 0.343 1.00 62.53 N ATOM 610 CA ALA A 44 1.192 -16.781 -0.149 1.00 23.31 C ATOM 611 C ALA A 44 2.186 -16.232 0.861 1.00 31.24 C ATOM 612 O ALA A 44 3.373 -16.472 0.754 1.00 52.44 O ATOM 613 CB ALA A 44 1.274 -15.988 -1.429 1.00 25.33 C ATOM 0 H ALA A 44 -0.685 -15.904 0.182 1.00 62.53 H new ATOM 0 HA ALA A 44 1.464 -17.821 -0.328 1.00 23.31 H new ATOM 0 HB1 ALA A 44 2.301 -15.993 -1.795 1.00 25.33 H new ATOM 0 HB2 ALA A 44 0.620 -16.436 -2.177 1.00 25.33 H new ATOM 0 HB3 ALA A 44 0.961 -14.961 -1.241 1.00 25.33 H new ATOM 619 N GLY A 45 1.703 -15.471 1.821 1.00 10.10 N ATOM 620 CA GLY A 45 2.606 -14.865 2.796 1.00 0.44 C ATOM 621 C GLY A 45 3.089 -13.501 2.331 1.00 53.00 C ATOM 622 O GLY A 45 3.795 -12.790 3.052 1.00 32.41 O ATOM 0 H GLY A 45 0.715 -15.256 1.952 1.00 10.10 H new ATOM 0 HA2 GLY A 45 2.096 -14.765 3.754 1.00 0.44 H new ATOM 0 HA3 GLY A 45 3.462 -15.520 2.958 1.00 0.44 H new ATOM 626 N SER A 46 2.703 -13.152 1.127 1.00 52.11 N ATOM 627 CA SER A 46 3.021 -11.885 0.536 1.00 53.25 C ATOM 628 C SER A 46 1.709 -11.121 0.325 1.00 71.32 C ATOM 629 O SER A 46 0.613 -11.731 0.339 1.00 30.01 O ATOM 630 CB SER A 46 3.747 -12.107 -0.793 1.00 54.05 C ATOM 631 OG SER A 46 4.902 -12.927 -0.619 1.00 5.33 O ATOM 0 H SER A 46 2.148 -13.757 0.522 1.00 52.11 H new ATOM 0 HA SER A 46 3.679 -11.306 1.184 1.00 53.25 H new ATOM 0 HB2 SER A 46 3.069 -12.575 -1.507 1.00 54.05 H new ATOM 0 HB3 SER A 46 4.040 -11.146 -1.215 1.00 54.05 H new ATOM 0 HG SER A 46 5.652 -12.547 -1.123 1.00 5.33 H new ATOM 637 N ALA A 47 1.792 -9.839 0.106 1.00 24.53 N ATOM 638 CA ALA A 47 0.611 -9.011 0.017 1.00 1.12 C ATOM 639 C ALA A 47 0.738 -8.003 -1.086 1.00 32.34 C ATOM 640 O ALA A 47 1.831 -7.725 -1.545 1.00 14.43 O ATOM 641 CB ALA A 47 0.356 -8.312 1.333 1.00 20.52 C ATOM 0 H ALA A 47 2.671 -9.336 -0.016 1.00 24.53 H new ATOM 0 HA ALA A 47 -0.235 -9.659 -0.210 1.00 1.12 H new ATOM 0 HB1 ALA A 47 -0.537 -7.693 1.249 1.00 20.52 H new ATOM 0 HB2 ALA A 47 0.210 -9.055 2.117 1.00 20.52 H new ATOM 0 HB3 ALA A 47 1.211 -7.684 1.583 1.00 20.52 H new ATOM 647 N LEU A 48 -0.369 -7.514 -1.547 1.00 44.33 N ATOM 648 CA LEU A 48 -0.393 -6.517 -2.566 1.00 53.21 C ATOM 649 C LEU A 48 -1.309 -5.380 -2.163 1.00 15.42 C ATOM 650 O LEU A 48 -2.374 -5.595 -1.587 1.00 23.21 O ATOM 651 CB LEU A 48 -0.742 -7.125 -3.966 1.00 4.55 C ATOM 652 CG LEU A 48 -2.040 -7.978 -4.119 1.00 23.11 C ATOM 653 CD1 LEU A 48 -3.310 -7.132 -4.120 1.00 4.22 C ATOM 654 CD2 LEU A 48 -1.976 -8.828 -5.377 1.00 20.14 C ATOM 0 H LEU A 48 -1.292 -7.800 -1.222 1.00 44.33 H new ATOM 0 HA LEU A 48 0.609 -6.101 -2.673 1.00 53.21 H new ATOM 0 HB2 LEU A 48 -0.805 -6.301 -4.676 1.00 4.55 H new ATOM 0 HB3 LEU A 48 0.099 -7.747 -4.273 1.00 4.55 H new ATOM 0 HG LEU A 48 -2.090 -8.626 -3.244 1.00 23.11 H new ATOM 0 HD11 LEU A 48 -4.179 -7.781 -4.229 1.00 4.22 H new ATOM 0 HD12 LEU A 48 -3.382 -6.583 -3.181 1.00 4.22 H new ATOM 0 HD13 LEU A 48 -3.277 -6.427 -4.951 1.00 4.22 H new ATOM 0 HD21 LEU A 48 -2.890 -9.415 -5.466 1.00 20.14 H new ATOM 0 HD22 LEU A 48 -1.874 -8.181 -6.248 1.00 20.14 H new ATOM 0 HD23 LEU A 48 -1.118 -9.498 -5.320 1.00 20.14 H new ATOM 666 N LEU A 49 -0.879 -4.194 -2.395 1.00 5.21 N ATOM 667 CA LEU A 49 -1.697 -3.055 -2.121 1.00 64.42 C ATOM 668 C LEU A 49 -1.983 -2.331 -3.398 1.00 3.33 C ATOM 669 O LEU A 49 -1.105 -2.206 -4.255 1.00 42.32 O ATOM 670 CB LEU A 49 -1.111 -2.144 -0.994 1.00 1.22 C ATOM 671 CG LEU A 49 0.351 -1.634 -1.110 1.00 43.24 C ATOM 672 CD1 LEU A 49 0.525 -0.593 -2.198 1.00 21.33 C ATOM 673 CD2 LEU A 49 0.821 -1.082 0.218 1.00 63.32 C ATOM 0 H LEU A 49 0.042 -3.979 -2.777 1.00 5.21 H new ATOM 0 HA LEU A 49 -2.649 -3.395 -1.712 1.00 64.42 H new ATOM 0 HB2 LEU A 49 -1.757 -1.270 -0.911 1.00 1.22 H new ATOM 0 HB3 LEU A 49 -1.193 -2.691 -0.055 1.00 1.22 H new ATOM 0 HG LEU A 49 0.963 -2.492 -1.388 1.00 43.24 H new ATOM 0 HD11 LEU A 49 1.567 -0.273 -2.233 1.00 21.33 H new ATOM 0 HD12 LEU A 49 0.245 -1.022 -3.160 1.00 21.33 H new ATOM 0 HD13 LEU A 49 -0.111 0.266 -1.985 1.00 21.33 H new ATOM 0 HD21 LEU A 49 1.847 -0.728 0.122 1.00 63.32 H new ATOM 0 HD22 LEU A 49 0.178 -0.254 0.516 1.00 63.32 H new ATOM 0 HD23 LEU A 49 0.777 -1.866 0.974 1.00 63.32 H new ATOM 685 N VAL A 50 -3.189 -1.926 -3.569 1.00 60.31 N ATOM 686 CA VAL A 50 -3.574 -1.242 -4.762 1.00 62.05 C ATOM 687 C VAL A 50 -4.038 0.158 -4.425 1.00 55.53 C ATOM 688 O VAL A 50 -4.817 0.362 -3.485 1.00 64.25 O ATOM 689 CB VAL A 50 -4.658 -2.034 -5.572 1.00 24.03 C ATOM 690 CG1 VAL A 50 -5.937 -2.254 -4.770 1.00 70.40 C ATOM 691 CG2 VAL A 50 -4.955 -1.357 -6.906 1.00 44.20 C ATOM 0 H VAL A 50 -3.940 -2.056 -2.891 1.00 60.31 H new ATOM 0 HA VAL A 50 -2.701 -1.172 -5.411 1.00 62.05 H new ATOM 0 HB VAL A 50 -4.240 -3.019 -5.777 1.00 24.03 H new ATOM 0 HG11 VAL A 50 -6.655 -2.807 -5.375 1.00 70.40 H new ATOM 0 HG12 VAL A 50 -5.708 -2.823 -3.869 1.00 70.40 H new ATOM 0 HG13 VAL A 50 -6.363 -1.290 -4.492 1.00 70.40 H new ATOM 0 HG21 VAL A 50 -5.710 -1.930 -7.444 1.00 44.20 H new ATOM 0 HG22 VAL A 50 -5.324 -0.347 -6.727 1.00 44.20 H new ATOM 0 HG23 VAL A 50 -4.043 -1.310 -7.501 1.00 44.20 H new ATOM 701 N VAL A 51 -3.525 1.118 -5.132 1.00 34.34 N ATOM 702 CA VAL A 51 -3.918 2.472 -4.911 1.00 25.31 C ATOM 703 C VAL A 51 -5.259 2.690 -5.603 1.00 42.10 C ATOM 704 O VAL A 51 -5.411 2.419 -6.797 1.00 43.54 O ATOM 705 CB VAL A 51 -2.855 3.474 -5.433 1.00 61.43 C ATOM 706 CG1 VAL A 51 -3.214 4.904 -5.052 1.00 30.43 C ATOM 707 CG2 VAL A 51 -1.471 3.116 -4.906 1.00 23.11 C ATOM 0 H VAL A 51 -2.832 0.986 -5.868 1.00 34.34 H new ATOM 0 HA VAL A 51 -4.010 2.653 -3.840 1.00 25.31 H new ATOM 0 HB VAL A 51 -2.840 3.406 -6.521 1.00 61.43 H new ATOM 0 HG11 VAL A 51 -2.451 5.584 -5.431 1.00 30.43 H new ATOM 0 HG12 VAL A 51 -4.180 5.164 -5.485 1.00 30.43 H new ATOM 0 HG13 VAL A 51 -3.268 4.989 -3.967 1.00 30.43 H new ATOM 0 HG21 VAL A 51 -0.741 3.832 -5.285 1.00 23.11 H new ATOM 0 HG22 VAL A 51 -1.478 3.146 -3.816 1.00 23.11 H new ATOM 0 HG23 VAL A 51 -1.203 2.114 -5.239 1.00 23.11 H new ATOM 717 N LYS A 52 -6.227 3.109 -4.848 1.00 10.31 N ATOM 718 CA LYS A 52 -7.561 3.330 -5.351 1.00 1.41 C ATOM 719 C LYS A 52 -7.773 4.806 -5.631 1.00 63.35 C ATOM 720 O LYS A 52 -8.494 5.181 -6.543 1.00 21.13 O ATOM 721 CB LYS A 52 -8.610 2.767 -4.377 1.00 2.21 C ATOM 722 CG LYS A 52 -10.060 2.894 -4.859 1.00 40.20 C ATOM 723 CD LYS A 52 -11.034 2.093 -3.986 1.00 63.33 C ATOM 724 CE LYS A 52 -10.991 2.521 -2.526 1.00 52.11 C ATOM 725 NZ LYS A 52 -11.921 1.738 -1.693 1.00 20.42 N ATOM 0 H LYS A 52 -6.119 3.311 -3.854 1.00 10.31 H new ATOM 0 HA LYS A 52 -7.683 2.794 -6.292 1.00 1.41 H new ATOM 0 HB2 LYS A 52 -8.392 1.714 -4.197 1.00 2.21 H new ATOM 0 HB3 LYS A 52 -8.512 3.281 -3.421 1.00 2.21 H new ATOM 0 HG2 LYS A 52 -10.351 3.944 -4.855 1.00 40.20 H new ATOM 0 HG3 LYS A 52 -10.130 2.547 -5.890 1.00 40.20 H new ATOM 0 HD2 LYS A 52 -12.047 2.217 -4.369 1.00 63.33 H new ATOM 0 HD3 LYS A 52 -10.794 1.032 -4.058 1.00 63.33 H new ATOM 0 HE2 LYS A 52 -9.977 2.405 -2.144 1.00 52.11 H new ATOM 0 HE3 LYS A 52 -11.241 3.579 -2.451 1.00 52.11 H new ATOM 0 HZ1 LYS A 52 -11.442 1.448 -0.817 1.00 20.42 H new ATOM 0 HZ2 LYS A 52 -12.751 2.320 -1.458 1.00 20.42 H new ATOM 0 HZ3 LYS A 52 -12.228 0.893 -2.216 1.00 20.42 H new ATOM 739 N ARG A 53 -7.105 5.637 -4.878 1.00 3.03 N ATOM 740 CA ARG A 53 -7.245 7.065 -5.052 1.00 61.01 C ATOM 741 C ARG A 53 -5.887 7.714 -4.992 1.00 31.40 C ATOM 742 O ARG A 53 -5.123 7.480 -4.044 1.00 13.15 O ATOM 743 CB ARG A 53 -8.134 7.663 -3.965 1.00 61.02 C ATOM 744 CG ARG A 53 -8.430 9.129 -4.174 1.00 44.31 C ATOM 745 CD ARG A 53 -9.223 9.714 -3.029 1.00 64.33 C ATOM 746 NE ARG A 53 -9.701 11.051 -3.358 1.00 41.14 N ATOM 747 CZ ARG A 53 -9.466 12.164 -2.670 1.00 3.31 C ATOM 748 NH1 ARG A 53 -8.588 12.185 -1.673 1.00 14.43 N ATOM 749 NH2 ARG A 53 -10.063 13.282 -3.031 1.00 4.32 N ATOM 0 H ARG A 53 -6.460 5.356 -4.140 1.00 3.03 H new ATOM 0 HA ARG A 53 -7.707 7.249 -6.022 1.00 61.01 H new ATOM 0 HB2 ARG A 53 -9.073 7.111 -3.930 1.00 61.02 H new ATOM 0 HB3 ARG A 53 -7.650 7.532 -2.997 1.00 61.02 H new ATOM 0 HG2 ARG A 53 -7.494 9.676 -4.284 1.00 44.31 H new ATOM 0 HG3 ARG A 53 -8.985 9.258 -5.103 1.00 44.31 H new ATOM 0 HD2 ARG A 53 -10.070 9.067 -2.799 1.00 64.33 H new ATOM 0 HD3 ARG A 53 -8.602 9.755 -2.134 1.00 64.33 H new ATOM 0 HE ARG A 53 -10.272 11.142 -4.198 1.00 41.14 H new ATOM 0 HH11 ARG A 53 -8.080 11.337 -1.423 1.00 14.43 H new ATOM 0 HH12 ARG A 53 -8.422 13.049 -1.158 1.00 14.43 H new ATOM 0 HH21 ARG A 53 -10.697 13.287 -3.830 1.00 4.32 H new ATOM 0 HH22 ARG A 53 -9.891 14.143 -2.511 1.00 4.32 H new ATOM 763 N GLY A 54 -5.596 8.501 -5.999 1.00 70.22 N ATOM 764 CA GLY A 54 -4.341 9.185 -6.099 1.00 33.12 C ATOM 765 C GLY A 54 -3.815 9.085 -7.511 1.00 3.55 C ATOM 766 O GLY A 54 -4.442 8.424 -8.345 1.00 52.32 O ATOM 0 H GLY A 54 -6.232 8.683 -6.775 1.00 70.22 H new ATOM 0 HA2 GLY A 54 -4.464 10.232 -5.820 1.00 33.12 H new ATOM 0 HA3 GLY A 54 -3.624 8.751 -5.402 1.00 33.12 H new ATOM 770 N PRO A 55 -2.697 9.732 -7.837 1.00 30.13 N ATOM 771 CA PRO A 55 -2.088 9.631 -9.172 1.00 61.13 C ATOM 772 C PRO A 55 -1.648 8.202 -9.489 1.00 35.50 C ATOM 773 O PRO A 55 -1.738 7.755 -10.623 1.00 25.13 O ATOM 774 CB PRO A 55 -0.879 10.561 -9.082 1.00 41.31 C ATOM 775 CG PRO A 55 -1.229 11.503 -7.992 1.00 74.24 C ATOM 776 CD PRO A 55 -1.963 10.679 -6.985 1.00 44.34 C ATOM 0 HA PRO A 55 -2.784 9.901 -9.966 1.00 61.13 H new ATOM 0 HB2 PRO A 55 0.033 10.009 -8.854 1.00 41.31 H new ATOM 0 HB3 PRO A 55 -0.708 11.085 -10.022 1.00 41.31 H new ATOM 0 HG2 PRO A 55 -0.336 11.953 -7.558 1.00 74.24 H new ATOM 0 HG3 PRO A 55 -1.850 12.320 -8.361 1.00 74.24 H new ATOM 0 HD2 PRO A 55 -1.283 10.170 -6.302 1.00 44.34 H new ATOM 0 HD3 PRO A 55 -2.634 11.284 -6.375 1.00 44.34 H new ATOM 784 N ASN A 56 -1.251 7.461 -8.460 1.00 54.54 N ATOM 785 CA ASN A 56 -0.792 6.087 -8.639 1.00 32.15 C ATOM 786 C ASN A 56 -1.957 5.108 -8.546 1.00 41.12 C ATOM 787 O ASN A 56 -1.755 3.903 -8.444 1.00 5.42 O ATOM 788 CB ASN A 56 0.235 5.732 -7.559 1.00 72.11 C ATOM 789 CG ASN A 56 1.435 6.645 -7.556 1.00 75.52 C ATOM 790 OD1 ASN A 56 1.437 7.679 -6.890 1.00 65.02 O ATOM 791 ND2 ASN A 56 2.443 6.288 -8.289 1.00 5.22 N ATOM 0 H ASN A 56 -1.238 7.788 -7.494 1.00 54.54 H new ATOM 0 HA ASN A 56 -0.338 6.012 -9.627 1.00 32.15 H new ATOM 0 HB2 ASN A 56 -0.246 5.772 -6.582 1.00 72.11 H new ATOM 0 HB3 ASN A 56 0.569 4.705 -7.708 1.00 72.11 H new ATOM 0 HD21 ASN A 56 3.278 6.873 -8.328 1.00 5.22 H new ATOM 0 HD22 ASN A 56 2.401 5.422 -8.827 1.00 5.22 H new ATOM 798 N ALA A 57 -3.182 5.621 -8.589 1.00 43.24 N ATOM 799 CA ALA A 57 -4.361 4.776 -8.518 1.00 2.55 C ATOM 800 C ALA A 57 -4.423 3.853 -9.710 1.00 61.43 C ATOM 801 O ALA A 57 -4.222 4.277 -10.852 1.00 42.31 O ATOM 802 CB ALA A 57 -5.623 5.594 -8.418 1.00 11.12 C ATOM 0 H ALA A 57 -3.381 6.618 -8.673 1.00 43.24 H new ATOM 0 HA ALA A 57 -4.283 4.175 -7.612 1.00 2.55 H new ATOM 0 HB1 ALA A 57 -6.485 4.929 -8.367 1.00 11.12 H new ATOM 0 HB2 ALA A 57 -5.587 6.211 -7.520 1.00 11.12 H new ATOM 0 HB3 ALA A 57 -5.711 6.235 -9.295 1.00 11.12 H new ATOM 808 N GLY A 58 -4.662 2.606 -9.440 1.00 51.22 N ATOM 809 CA GLY A 58 -4.698 1.614 -10.469 1.00 74.02 C ATOM 810 C GLY A 58 -3.489 0.729 -10.390 1.00 2.12 C ATOM 811 O GLY A 58 -3.533 -0.439 -10.767 1.00 62.35 O ATOM 0 H GLY A 58 -4.837 2.248 -8.501 1.00 51.22 H new ATOM 0 HA2 GLY A 58 -5.602 1.013 -10.371 1.00 74.02 H new ATOM 0 HA3 GLY A 58 -4.739 2.096 -11.446 1.00 74.02 H new ATOM 815 N ALA A 59 -2.416 1.268 -9.868 1.00 12.15 N ATOM 816 CA ALA A 59 -1.201 0.525 -9.730 1.00 62.21 C ATOM 817 C ALA A 59 -1.215 -0.236 -8.425 1.00 20.25 C ATOM 818 O ALA A 59 -1.755 0.247 -7.407 1.00 72.23 O ATOM 819 CB ALA A 59 0.007 1.449 -9.798 1.00 0.41 C ATOM 0 H ALA A 59 -2.366 2.229 -9.530 1.00 12.15 H new ATOM 0 HA ALA A 59 -1.127 -0.185 -10.554 1.00 62.21 H new ATOM 0 HB1 ALA A 59 0.920 0.863 -9.691 1.00 0.41 H new ATOM 0 HB2 ALA A 59 0.017 1.964 -10.758 1.00 0.41 H new ATOM 0 HB3 ALA A 59 -0.050 2.182 -8.993 1.00 0.41 H new ATOM 825 N ARG A 60 -0.678 -1.426 -8.453 1.00 35.51 N ATOM 826 CA ARG A 60 -0.581 -2.227 -7.275 1.00 21.32 C ATOM 827 C ARG A 60 0.855 -2.599 -7.002 1.00 31.22 C ATOM 828 O ARG A 60 1.607 -2.920 -7.920 1.00 51.04 O ATOM 829 CB ARG A 60 -1.572 -3.440 -7.270 1.00 20.21 C ATOM 830 CG ARG A 60 -1.555 -4.401 -8.472 1.00 63.34 C ATOM 831 CD ARG A 60 -0.300 -5.256 -8.551 1.00 24.50 C ATOM 832 NE ARG A 60 -0.401 -6.268 -9.600 1.00 1.51 N ATOM 833 CZ ARG A 60 0.622 -6.761 -10.312 1.00 4.31 C ATOM 834 NH1 ARG A 60 1.851 -6.263 -10.176 1.00 65.13 N ATOM 835 NH2 ARG A 60 0.401 -7.734 -11.179 1.00 55.53 N ATOM 0 H ARG A 60 -0.298 -1.862 -9.293 1.00 35.51 H new ATOM 0 HA ARG A 60 -0.912 -1.621 -6.431 1.00 21.32 H new ATOM 0 HB2 ARG A 60 -1.375 -4.027 -6.373 1.00 20.21 H new ATOM 0 HB3 ARG A 60 -2.583 -3.043 -7.176 1.00 20.21 H new ATOM 0 HG2 ARG A 60 -2.426 -5.054 -8.417 1.00 63.34 H new ATOM 0 HG3 ARG A 60 -1.648 -3.822 -9.391 1.00 63.34 H new ATOM 0 HD2 ARG A 60 0.563 -4.619 -8.742 1.00 24.50 H new ATOM 0 HD3 ARG A 60 -0.130 -5.743 -7.591 1.00 24.50 H new ATOM 0 HE ARG A 60 -1.331 -6.631 -9.809 1.00 1.51 H new ATOM 0 HH11 ARG A 60 2.022 -5.497 -9.524 1.00 65.13 H new ATOM 0 HH12 ARG A 60 2.621 -6.647 -10.724 1.00 65.13 H new ATOM 0 HH21 ARG A 60 -0.542 -8.103 -11.302 1.00 55.53 H new ATOM 0 HH22 ARG A 60 1.173 -8.115 -11.725 1.00 55.53 H new ATOM 849 N PHE A 61 1.232 -2.519 -5.768 1.00 3.43 N ATOM 850 CA PHE A 61 2.587 -2.777 -5.351 1.00 23.32 C ATOM 851 C PHE A 61 2.582 -3.970 -4.420 1.00 12.43 C ATOM 852 O PHE A 61 1.616 -4.167 -3.673 1.00 13.12 O ATOM 853 CB PHE A 61 3.174 -1.547 -4.650 1.00 13.23 C ATOM 854 CG PHE A 61 3.108 -0.273 -5.469 1.00 71.21 C ATOM 855 CD1 PHE A 61 4.031 -0.023 -6.472 1.00 3.41 C ATOM 856 CD2 PHE A 61 2.116 0.669 -5.235 1.00 4.44 C ATOM 857 CE1 PHE A 61 3.969 1.137 -7.221 1.00 61.34 C ATOM 858 CE2 PHE A 61 2.049 1.830 -5.982 1.00 62.31 C ATOM 859 CZ PHE A 61 2.976 2.065 -6.975 1.00 14.31 C ATOM 0 H PHE A 61 0.604 -2.269 -5.004 1.00 3.43 H new ATOM 0 HA PHE A 61 3.209 -2.991 -6.220 1.00 23.32 H new ATOM 0 HB2 PHE A 61 2.643 -1.390 -3.711 1.00 13.23 H new ATOM 0 HB3 PHE A 61 4.215 -1.749 -4.397 1.00 13.23 H new ATOM 0 HD1 PHE A 61 4.810 -0.745 -6.671 1.00 3.41 H new ATOM 0 HD2 PHE A 61 1.386 0.492 -4.459 1.00 4.44 H new ATOM 0 HE1 PHE A 61 4.697 1.318 -7.998 1.00 61.34 H new ATOM 0 HE2 PHE A 61 1.271 2.553 -5.788 1.00 62.31 H new ATOM 0 HZ PHE A 61 2.926 2.972 -7.559 1.00 14.31 H new ATOM 869 N LEU A 62 3.611 -4.769 -4.472 1.00 33.31 N ATOM 870 CA LEU A 62 3.650 -5.974 -3.682 1.00 43.44 C ATOM 871 C LEU A 62 4.598 -5.884 -2.496 1.00 44.55 C ATOM 872 O LEU A 62 5.716 -5.401 -2.601 1.00 42.10 O ATOM 873 CB LEU A 62 3.838 -7.293 -4.534 1.00 2.13 C ATOM 874 CG LEU A 62 5.074 -7.490 -5.495 1.00 23.02 C ATOM 875 CD1 LEU A 62 5.157 -6.462 -6.610 1.00 10.24 C ATOM 876 CD2 LEU A 62 6.396 -7.602 -4.748 1.00 62.24 C ATOM 0 H LEU A 62 4.435 -4.610 -5.052 1.00 33.31 H new ATOM 0 HA LEU A 62 2.652 -6.059 -3.253 1.00 43.44 H new ATOM 0 HB2 LEU A 62 3.850 -8.125 -3.830 1.00 2.13 H new ATOM 0 HB3 LEU A 62 2.942 -7.405 -5.145 1.00 2.13 H new ATOM 0 HG LEU A 62 4.890 -8.450 -5.977 1.00 23.02 H new ATOM 0 HD11 LEU A 62 6.032 -6.664 -7.227 1.00 10.24 H new ATOM 0 HD12 LEU A 62 4.259 -6.519 -7.225 1.00 10.24 H new ATOM 0 HD13 LEU A 62 5.240 -5.464 -6.179 1.00 10.24 H new ATOM 0 HD21 LEU A 62 7.208 -7.736 -5.463 1.00 62.24 H new ATOM 0 HD22 LEU A 62 6.566 -6.693 -4.172 1.00 62.24 H new ATOM 0 HD23 LEU A 62 6.362 -8.458 -4.074 1.00 62.24 H new ATOM 888 N LEU A 63 4.127 -6.315 -1.377 1.00 4.25 N ATOM 889 CA LEU A 63 4.899 -6.348 -0.179 1.00 1.02 C ATOM 890 C LEU A 63 5.421 -7.759 -0.062 1.00 31.33 C ATOM 891 O LEU A 63 4.660 -8.695 0.230 1.00 21.52 O ATOM 892 CB LEU A 63 4.044 -5.992 1.071 1.00 11.43 C ATOM 893 CG LEU A 63 3.306 -4.627 1.098 1.00 1.14 C ATOM 894 CD1 LEU A 63 4.241 -3.468 0.797 1.00 64.23 C ATOM 895 CD2 LEU A 63 2.085 -4.615 0.186 1.00 64.52 C ATOM 0 H LEU A 63 3.174 -6.662 -1.265 1.00 4.25 H new ATOM 0 HA LEU A 63 5.702 -5.612 -0.223 1.00 1.02 H new ATOM 0 HB2 LEU A 63 3.297 -6.776 1.196 1.00 11.43 H new ATOM 0 HB3 LEU A 63 4.697 -6.033 1.942 1.00 11.43 H new ATOM 0 HG LEU A 63 2.943 -4.491 2.117 1.00 1.14 H new ATOM 0 HD11 LEU A 63 3.682 -2.533 0.826 1.00 64.23 H new ATOM 0 HD12 LEU A 63 5.036 -3.439 1.542 1.00 64.23 H new ATOM 0 HD13 LEU A 63 4.676 -3.599 -0.194 1.00 64.23 H new ATOM 0 HD21 LEU A 63 1.601 -3.640 0.238 1.00 64.52 H new ATOM 0 HD22 LEU A 63 2.395 -4.812 -0.840 1.00 64.52 H new ATOM 0 HD23 LEU A 63 1.384 -5.385 0.507 1.00 64.52 H new ATOM 907 N ASP A 64 6.683 -7.924 -0.360 1.00 34.34 N ATOM 908 CA ASP A 64 7.298 -9.248 -0.381 1.00 34.34 C ATOM 909 C ASP A 64 8.685 -9.208 0.272 1.00 2.21 C ATOM 910 O ASP A 64 9.375 -10.224 0.402 1.00 21.20 O ATOM 911 CB ASP A 64 7.376 -9.716 -1.848 1.00 50.31 C ATOM 912 CG ASP A 64 7.913 -11.110 -2.042 1.00 43.33 C ATOM 913 OD1 ASP A 64 7.152 -12.090 -1.868 1.00 34.01 O ATOM 914 OD2 ASP A 64 9.084 -11.261 -2.429 1.00 44.25 O ATOM 0 H ASP A 64 7.318 -7.161 -0.594 1.00 34.34 H new ATOM 0 HA ASP A 64 6.699 -9.955 0.193 1.00 34.34 H new ATOM 0 HB2 ASP A 64 6.379 -9.663 -2.285 1.00 50.31 H new ATOM 0 HB3 ASP A 64 8.005 -9.020 -2.403 1.00 50.31 H new ATOM 919 N GLN A 65 9.072 -8.036 0.713 1.00 54.13 N ATOM 920 CA GLN A 65 10.356 -7.840 1.353 1.00 72.32 C ATOM 921 C GLN A 65 10.134 -7.609 2.824 1.00 1.23 C ATOM 922 O GLN A 65 9.079 -7.099 3.198 1.00 63.21 O ATOM 923 CB GLN A 65 11.121 -6.666 0.718 1.00 53.21 C ATOM 924 CG GLN A 65 10.372 -5.352 0.710 1.00 31.01 C ATOM 925 CD GLN A 65 11.069 -4.285 -0.099 1.00 25.54 C ATOM 926 OE1 GLN A 65 10.732 -4.191 -1.341 1.00 30.55 O flip ATOM 927 NE2 GLN A 65 11.897 -3.543 0.402 1.00 52.14 N flip ATOM 0 H GLN A 65 8.508 -7.189 0.640 1.00 54.13 H new ATOM 0 HA GLN A 65 10.968 -8.731 1.213 1.00 72.32 H new ATOM 0 HB2 GLN A 65 12.060 -6.530 1.255 1.00 53.21 H new ATOM 0 HB3 GLN A 65 11.376 -6.929 -0.309 1.00 53.21 H new ATOM 0 HG2 GLN A 65 9.372 -5.512 0.307 1.00 31.01 H new ATOM 0 HG3 GLN A 65 10.250 -5.002 1.735 1.00 31.01 H new ATOM 0 HE21 GLN A 65 12.142 -3.643 1.387 1.00 52.14 H new ATOM 0 HE22 GLN A 65 12.345 -2.822 -0.164 1.00 52.14 H new ATOM 936 N PRO A 66 11.099 -7.985 3.685 1.00 61.33 N ATOM 937 CA PRO A 66 10.987 -7.833 5.146 1.00 32.32 C ATOM 938 C PRO A 66 10.629 -6.408 5.587 1.00 22.21 C ATOM 939 O PRO A 66 9.981 -6.214 6.622 1.00 61.55 O ATOM 940 CB PRO A 66 12.379 -8.208 5.655 1.00 50.14 C ATOM 941 CG PRO A 66 12.909 -9.137 4.629 1.00 15.40 C ATOM 942 CD PRO A 66 12.378 -8.643 3.314 1.00 21.55 C ATOM 0 HA PRO A 66 10.183 -8.453 5.543 1.00 32.32 H new ATOM 0 HB2 PRO A 66 13.014 -7.328 5.760 1.00 50.14 H new ATOM 0 HB3 PRO A 66 12.329 -8.684 6.634 1.00 50.14 H new ATOM 0 HG2 PRO A 66 13.999 -9.143 4.633 1.00 15.40 H new ATOM 0 HG3 PRO A 66 12.584 -10.159 4.822 1.00 15.40 H new ATOM 0 HD2 PRO A 66 13.067 -7.944 2.840 1.00 21.55 H new ATOM 0 HD3 PRO A 66 12.220 -9.461 2.611 1.00 21.55 H new ATOM 950 N THR A 67 11.037 -5.412 4.829 1.00 4.43 N ATOM 951 CA THR A 67 10.718 -4.050 5.185 1.00 42.23 C ATOM 952 C THR A 67 10.508 -3.212 3.930 1.00 33.21 C ATOM 953 O THR A 67 11.391 -3.107 3.101 1.00 61.54 O ATOM 954 CB THR A 67 11.842 -3.432 6.044 1.00 14.24 C ATOM 955 OG1 THR A 67 12.139 -4.309 7.153 1.00 44.15 O ATOM 956 CG2 THR A 67 11.410 -2.091 6.587 1.00 20.12 C ATOM 0 H THR A 67 11.583 -5.519 3.974 1.00 4.43 H new ATOM 0 HA THR A 67 9.797 -4.058 5.768 1.00 42.23 H new ATOM 0 HB THR A 67 12.726 -3.302 5.420 1.00 14.24 H new ATOM 0 HG1 THR A 67 12.854 -3.917 7.697 1.00 44.15 H new ATOM 0 HG21 THR A 67 12.213 -1.667 7.191 1.00 20.12 H new ATOM 0 HG22 THR A 67 11.185 -1.419 5.759 1.00 20.12 H new ATOM 0 HG23 THR A 67 10.520 -2.218 7.204 1.00 20.12 H new ATOM 964 N THR A 68 9.348 -2.626 3.807 1.00 25.43 N ATOM 965 CA THR A 68 9.025 -1.827 2.631 1.00 31.51 C ATOM 966 C THR A 68 8.750 -0.362 3.025 1.00 52.21 C ATOM 967 O THR A 68 7.777 -0.084 3.706 1.00 51.34 O ATOM 968 CB THR A 68 7.773 -2.399 1.933 1.00 4.44 C ATOM 969 OG1 THR A 68 7.886 -3.830 1.872 1.00 21.41 O ATOM 970 CG2 THR A 68 7.657 -1.852 0.514 1.00 31.42 C ATOM 0 H THR A 68 8.603 -2.680 4.501 1.00 25.43 H new ATOM 0 HA THR A 68 9.878 -1.862 1.954 1.00 31.51 H new ATOM 0 HB THR A 68 6.888 -2.109 2.499 1.00 4.44 H new ATOM 0 HG1 THR A 68 7.094 -4.202 1.431 1.00 21.41 H new ATOM 0 HG21 THR A 68 6.769 -2.265 0.036 1.00 31.42 H new ATOM 0 HG22 THR A 68 7.578 -0.765 0.548 1.00 31.42 H new ATOM 0 HG23 THR A 68 8.541 -2.134 -0.058 1.00 31.42 H new ATOM 978 N THR A 69 9.592 0.548 2.593 1.00 1.51 N ATOM 979 CA THR A 69 9.420 1.959 2.893 1.00 43.24 C ATOM 980 C THR A 69 8.511 2.624 1.836 1.00 1.31 C ATOM 981 O THR A 69 8.731 2.462 0.614 1.00 11.22 O ATOM 982 CB THR A 69 10.795 2.667 2.941 1.00 20.32 C ATOM 983 OG1 THR A 69 11.619 2.040 3.943 1.00 41.21 O ATOM 984 CG2 THR A 69 10.646 4.151 3.273 1.00 30.30 C ATOM 0 H THR A 69 10.413 0.337 2.026 1.00 1.51 H new ATOM 0 HA THR A 69 8.945 2.053 3.869 1.00 43.24 H new ATOM 0 HB THR A 69 11.257 2.579 1.958 1.00 20.32 H new ATOM 0 HG1 THR A 69 12.491 2.485 3.975 1.00 41.21 H new ATOM 0 HG21 THR A 69 11.630 4.619 3.299 1.00 30.30 H new ATOM 0 HG22 THR A 69 10.034 4.635 2.511 1.00 30.30 H new ATOM 0 HG23 THR A 69 10.167 4.260 4.246 1.00 30.30 H new ATOM 992 N ALA A 70 7.500 3.357 2.305 1.00 10.22 N ATOM 993 CA ALA A 70 6.537 3.999 1.436 1.00 13.03 C ATOM 994 C ALA A 70 6.475 5.513 1.656 1.00 41.42 C ATOM 995 O ALA A 70 6.529 6.020 2.821 1.00 63.34 O ATOM 996 CB ALA A 70 5.163 3.387 1.640 1.00 73.01 C ATOM 0 H ALA A 70 7.334 3.517 3.299 1.00 10.22 H new ATOM 0 HA ALA A 70 6.864 3.833 0.410 1.00 13.03 H new ATOM 0 HB1 ALA A 70 4.445 3.877 0.982 1.00 73.01 H new ATOM 0 HB2 ALA A 70 5.201 2.323 1.408 1.00 73.01 H new ATOM 0 HB3 ALA A 70 4.855 3.522 2.677 1.00 73.01 H new ATOM 1002 N GLY A 71 6.362 6.219 0.550 1.00 44.11 N ATOM 1003 CA GLY A 71 6.258 7.648 0.537 1.00 12.34 C ATOM 1004 C GLY A 71 6.651 8.163 -0.824 1.00 74.50 C ATOM 1005 O GLY A 71 6.665 7.393 -1.799 1.00 22.34 O ATOM 0 H GLY A 71 6.340 5.799 -0.379 1.00 44.11 H new ATOM 0 HA2 GLY A 71 5.238 7.952 0.773 1.00 12.34 H new ATOM 0 HA3 GLY A 71 6.904 8.078 1.302 1.00 12.34 H new ATOM 1009 N ARG A 72 6.987 9.417 -0.907 1.00 33.23 N ATOM 1010 CA ARG A 72 7.445 10.005 -2.135 1.00 25.35 C ATOM 1011 C ARG A 72 8.846 10.493 -1.871 1.00 63.14 C ATOM 1012 O ARG A 72 9.027 11.433 -1.100 1.00 53.32 O ATOM 1013 CB ARG A 72 6.540 11.197 -2.480 1.00 43.00 C ATOM 1014 CG ARG A 72 6.855 11.898 -3.792 1.00 42.04 C ATOM 1015 CD ARG A 72 5.930 13.086 -3.991 1.00 0.10 C ATOM 1016 NE ARG A 72 6.170 13.786 -5.257 1.00 12.41 N ATOM 1017 CZ ARG A 72 6.356 15.110 -5.393 1.00 52.05 C ATOM 1018 NH1 ARG A 72 6.182 15.926 -4.353 1.00 52.12 N ATOM 1019 NH2 ARG A 72 6.631 15.616 -6.591 1.00 60.52 N ATOM 0 H ARG A 72 6.951 10.066 -0.121 1.00 33.23 H new ATOM 0 HA ARG A 72 7.423 9.296 -2.962 1.00 25.35 H new ATOM 0 HB2 ARG A 72 5.507 10.850 -2.512 1.00 43.00 H new ATOM 0 HB3 ARG A 72 6.606 11.927 -1.673 1.00 43.00 H new ATOM 0 HG2 ARG A 72 7.893 12.232 -3.793 1.00 42.04 H new ATOM 0 HG3 ARG A 72 6.744 11.199 -4.621 1.00 42.04 H new ATOM 0 HD2 ARG A 72 4.895 12.744 -3.960 1.00 0.10 H new ATOM 0 HD3 ARG A 72 6.060 13.784 -3.164 1.00 0.10 H new ATOM 0 HE ARG A 72 6.198 13.221 -6.105 1.00 12.41 H new ATOM 0 HH11 ARG A 72 5.906 15.546 -3.447 1.00 52.12 H new ATOM 0 HH12 ARG A 72 6.325 16.930 -4.463 1.00 52.12 H new ATOM 0 HH21 ARG A 72 6.700 15.000 -7.401 1.00 60.52 H new ATOM 0 HH22 ARG A 72 6.773 16.620 -6.700 1.00 60.52 H new ATOM 1033 N HIS A 73 9.800 9.927 -2.570 1.00 72.10 N ATOM 1034 CA HIS A 73 11.211 10.177 -2.356 1.00 42.54 C ATOM 1035 C HIS A 73 11.918 9.078 -3.143 1.00 34.53 C ATOM 1036 O HIS A 73 11.337 8.001 -3.310 1.00 12.43 O ATOM 1037 CB HIS A 73 11.544 9.998 -0.839 1.00 64.44 C ATOM 1038 CG HIS A 73 12.708 10.793 -0.343 1.00 14.35 C ATOM 1039 ND1 HIS A 73 13.135 12.012 -0.721 1.00 55.51 N flip ATOM 1040 CD2 HIS A 73 13.538 10.404 0.689 1.00 35.34 C flip ATOM 1041 CE1 HIS A 73 14.222 12.379 0.059 1.00 42.35 C flip ATOM 1042 NE2 HIS A 73 14.422 11.381 0.889 1.00 43.44 N flip ATOM 0 H HIS A 73 9.616 9.263 -3.322 1.00 72.10 H new ATOM 0 HA HIS A 73 11.507 11.181 -2.661 1.00 42.54 H new ATOM 0 HB2 HIS A 73 10.664 10.270 -0.256 1.00 64.44 H new ATOM 0 HB3 HIS A 73 11.738 8.942 -0.649 1.00 64.44 H new ATOM 0 HD2 HIS A 73 13.481 9.475 1.236 1.00 35.34 H new ATOM 0 HE1 HIS A 73 14.788 13.297 -0.003 1.00 42.35 H new ATOM 0 HE2 HIS A 73 15.158 11.357 1.595 1.00 43.44 H new ATOM 1050 N PRO A 74 13.143 9.295 -3.656 1.00 45.35 N ATOM 1051 CA PRO A 74 13.887 8.250 -4.390 1.00 5.31 C ATOM 1052 C PRO A 74 14.246 7.056 -3.497 1.00 31.13 C ATOM 1053 O PRO A 74 14.623 5.992 -3.979 1.00 74.42 O ATOM 1054 CB PRO A 74 15.169 8.967 -4.835 1.00 4.32 C ATOM 1055 CG PRO A 74 15.289 10.135 -3.920 1.00 44.31 C ATOM 1056 CD PRO A 74 13.887 10.569 -3.640 1.00 43.22 C ATOM 0 HA PRO A 74 13.299 7.839 -5.210 1.00 5.31 H new ATOM 0 HB2 PRO A 74 16.036 8.312 -4.756 1.00 4.32 H new ATOM 0 HB3 PRO A 74 15.104 9.285 -5.876 1.00 4.32 H new ATOM 0 HG2 PRO A 74 15.806 9.861 -3.000 1.00 44.31 H new ATOM 0 HG3 PRO A 74 15.863 10.938 -4.382 1.00 44.31 H new ATOM 0 HD2 PRO A 74 13.804 11.074 -2.678 1.00 43.22 H new ATOM 0 HD3 PRO A 74 13.519 11.262 -4.396 1.00 43.22 H new ATOM 1064 N GLU A 75 14.121 7.241 -2.202 1.00 1.31 N ATOM 1065 CA GLU A 75 14.450 6.208 -1.257 1.00 14.14 C ATOM 1066 C GLU A 75 13.264 5.284 -0.979 1.00 45.31 C ATOM 1067 O GLU A 75 13.427 4.219 -0.364 1.00 51.44 O ATOM 1068 CB GLU A 75 14.990 6.811 0.028 1.00 21.20 C ATOM 1069 CG GLU A 75 16.259 7.616 -0.180 1.00 72.42 C ATOM 1070 CD GLU A 75 16.856 8.104 1.104 1.00 44.13 C ATOM 1071 OE1 GLU A 75 17.448 7.294 1.834 1.00 42.53 O ATOM 1072 OE2 GLU A 75 16.738 9.297 1.418 1.00 24.11 O ATOM 0 H GLU A 75 13.790 8.109 -1.780 1.00 1.31 H new ATOM 0 HA GLU A 75 15.231 5.593 -1.703 1.00 14.14 H new ATOM 0 HB2 GLU A 75 14.228 7.453 0.469 1.00 21.20 H new ATOM 0 HB3 GLU A 75 15.187 6.012 0.743 1.00 21.20 H new ATOM 0 HG2 GLU A 75 16.991 7.002 -0.705 1.00 72.42 H new ATOM 0 HG3 GLU A 75 16.041 8.470 -0.821 1.00 72.42 H new ATOM 1079 N SER A 76 12.092 5.672 -1.433 1.00 63.12 N ATOM 1080 CA SER A 76 10.916 4.856 -1.262 1.00 51.41 C ATOM 1081 C SER A 76 11.008 3.658 -2.195 1.00 32.45 C ATOM 1082 O SER A 76 11.422 3.805 -3.354 1.00 0.24 O ATOM 1083 CB SER A 76 9.679 5.675 -1.589 1.00 61.15 C ATOM 1084 OG SER A 76 9.670 6.875 -0.838 1.00 25.03 O ATOM 0 H SER A 76 11.931 6.551 -1.925 1.00 63.12 H new ATOM 0 HA SER A 76 10.848 4.510 -0.231 1.00 51.41 H new ATOM 0 HB2 SER A 76 9.658 5.905 -2.654 1.00 61.15 H new ATOM 0 HB3 SER A 76 8.782 5.095 -1.371 1.00 61.15 H new ATOM 0 HG SER A 76 10.141 7.576 -1.335 1.00 25.03 H new ATOM 1090 N ASP A 77 10.665 2.483 -1.699 1.00 2.12 N ATOM 1091 CA ASP A 77 10.727 1.284 -2.522 1.00 32.34 C ATOM 1092 C ASP A 77 9.546 1.305 -3.450 1.00 64.41 C ATOM 1093 O ASP A 77 9.662 1.072 -4.657 1.00 41.01 O ATOM 1094 CB ASP A 77 10.695 0.025 -1.669 1.00 64.35 C ATOM 1095 CG ASP A 77 11.056 -1.208 -2.468 1.00 41.30 C ATOM 1096 OD1 ASP A 77 10.175 -1.822 -3.092 1.00 15.12 O ATOM 1097 OD2 ASP A 77 12.257 -1.588 -2.469 1.00 62.04 O ATOM 0 H ASP A 77 10.344 2.331 -0.743 1.00 2.12 H new ATOM 0 HA ASP A 77 11.662 1.273 -3.082 1.00 32.34 H new ATOM 0 HB2 ASP A 77 11.389 0.134 -0.836 1.00 64.35 H new ATOM 0 HB3 ASP A 77 9.700 -0.098 -1.241 1.00 64.35 H new ATOM 1102 N ILE A 78 8.412 1.628 -2.875 1.00 13.24 N ATOM 1103 CA ILE A 78 7.210 1.833 -3.615 1.00 23.45 C ATOM 1104 C ILE A 78 6.945 3.333 -3.640 1.00 34.34 C ATOM 1105 O ILE A 78 6.835 3.985 -2.591 1.00 31.00 O ATOM 1106 CB ILE A 78 6.004 1.018 -3.048 1.00 32.54 C ATOM 1107 CG1 ILE A 78 5.721 1.350 -1.566 1.00 44.33 C ATOM 1108 CG2 ILE A 78 6.279 -0.476 -3.210 1.00 15.53 C ATOM 1109 CD1 ILE A 78 4.506 0.641 -0.992 1.00 1.12 C ATOM 0 H ILE A 78 8.307 1.755 -1.868 1.00 13.24 H new ATOM 0 HA ILE A 78 7.331 1.458 -4.631 1.00 23.45 H new ATOM 0 HB ILE A 78 5.116 1.297 -3.615 1.00 32.54 H new ATOM 0 HG12 ILE A 78 6.596 1.086 -0.972 1.00 44.33 H new ATOM 0 HG13 ILE A 78 5.581 2.426 -1.466 1.00 44.33 H new ATOM 0 HG21 ILE A 78 5.438 -1.046 -2.815 1.00 15.53 H new ATOM 0 HG22 ILE A 78 6.411 -0.709 -4.267 1.00 15.53 H new ATOM 0 HG23 ILE A 78 7.185 -0.740 -2.665 1.00 15.53 H new ATOM 0 HD11 ILE A 78 4.377 0.928 0.052 1.00 1.12 H new ATOM 0 HD12 ILE A 78 3.619 0.923 -1.559 1.00 1.12 H new ATOM 0 HD13 ILE A 78 4.650 -0.438 -1.057 1.00 1.12 H new ATOM 1121 N PHE A 79 6.916 3.882 -4.813 1.00 42.33 N ATOM 1122 CA PHE A 79 6.850 5.305 -4.976 1.00 13.53 C ATOM 1123 C PHE A 79 5.437 5.783 -5.262 1.00 62.13 C ATOM 1124 O PHE A 79 4.797 5.352 -6.226 1.00 31.31 O ATOM 1125 CB PHE A 79 7.825 5.728 -6.088 1.00 54.52 C ATOM 1126 CG PHE A 79 7.938 7.211 -6.340 1.00 24.31 C ATOM 1127 CD1 PHE A 79 8.672 8.019 -5.490 1.00 22.03 C ATOM 1128 CD2 PHE A 79 7.326 7.788 -7.439 1.00 15.30 C ATOM 1129 CE1 PHE A 79 8.791 9.375 -5.730 1.00 11.12 C ATOM 1130 CE2 PHE A 79 7.443 9.139 -7.685 1.00 42.41 C ATOM 1131 CZ PHE A 79 8.175 9.934 -6.828 1.00 30.32 C ATOM 0 H PHE A 79 6.937 3.358 -5.688 1.00 42.33 H new ATOM 0 HA PHE A 79 7.144 5.778 -4.039 1.00 13.53 H new ATOM 0 HB2 PHE A 79 8.815 5.345 -5.841 1.00 54.52 H new ATOM 0 HB3 PHE A 79 7.519 5.244 -7.016 1.00 54.52 H new ATOM 0 HD1 PHE A 79 9.158 7.585 -4.629 1.00 22.03 H new ATOM 0 HD2 PHE A 79 6.749 7.172 -8.113 1.00 15.30 H new ATOM 0 HE1 PHE A 79 9.366 9.995 -5.058 1.00 11.12 H new ATOM 0 HE2 PHE A 79 6.962 9.575 -8.548 1.00 42.41 H new ATOM 0 HZ PHE A 79 8.265 10.993 -7.018 1.00 30.32 H new ATOM 1141 N LEU A 80 4.963 6.638 -4.404 1.00 4.23 N ATOM 1142 CA LEU A 80 3.699 7.318 -4.567 1.00 44.41 C ATOM 1143 C LEU A 80 4.054 8.744 -4.879 1.00 15.02 C ATOM 1144 O LEU A 80 5.008 9.270 -4.315 1.00 22.51 O ATOM 1145 CB LEU A 80 2.890 7.265 -3.260 1.00 13.12 C ATOM 1146 CG LEU A 80 2.531 5.867 -2.731 1.00 15.24 C ATOM 1147 CD1 LEU A 80 1.785 5.974 -1.412 1.00 53.14 C ATOM 1148 CD2 LEU A 80 1.694 5.100 -3.750 1.00 74.40 C ATOM 0 H LEU A 80 5.453 6.893 -3.547 1.00 4.23 H new ATOM 0 HA LEU A 80 3.093 6.859 -5.348 1.00 44.41 H new ATOM 0 HB2 LEU A 80 3.455 7.787 -2.488 1.00 13.12 H new ATOM 0 HB3 LEU A 80 1.965 7.821 -3.409 1.00 13.12 H new ATOM 0 HG LEU A 80 3.458 5.318 -2.566 1.00 15.24 H new ATOM 0 HD11 LEU A 80 1.538 4.975 -1.051 1.00 53.14 H new ATOM 0 HD12 LEU A 80 2.413 6.480 -0.679 1.00 53.14 H new ATOM 0 HD13 LEU A 80 0.867 6.544 -1.558 1.00 53.14 H new ATOM 0 HD21 LEU A 80 1.452 4.114 -3.354 1.00 74.40 H new ATOM 0 HD22 LEU A 80 0.773 5.647 -3.949 1.00 74.40 H new ATOM 0 HD23 LEU A 80 2.259 4.990 -4.676 1.00 74.40 H new ATOM 1160 N ASP A 81 3.357 9.351 -5.771 1.00 65.13 N ATOM 1161 CA ASP A 81 3.676 10.705 -6.168 1.00 72.41 C ATOM 1162 C ASP A 81 2.455 11.567 -6.078 1.00 2.15 C ATOM 1163 O ASP A 81 1.365 11.112 -6.380 1.00 52.02 O ATOM 1164 CB ASP A 81 4.253 10.724 -7.580 1.00 13.23 C ATOM 1165 CG ASP A 81 4.607 12.110 -8.062 1.00 74.43 C ATOM 1166 OD1 ASP A 81 5.626 12.669 -7.611 1.00 65.14 O ATOM 1167 OD2 ASP A 81 3.883 12.653 -8.926 1.00 31.32 O ATOM 0 H ASP A 81 2.555 8.942 -6.251 1.00 65.13 H new ATOM 0 HA ASP A 81 4.430 11.104 -5.490 1.00 72.41 H new ATOM 0 HB2 ASP A 81 5.145 10.098 -7.609 1.00 13.23 H new ATOM 0 HB3 ASP A 81 3.531 10.282 -8.266 1.00 13.23 H new ATOM 1172 N ASP A 82 2.638 12.798 -5.657 1.00 1.34 N ATOM 1173 CA ASP A 82 1.541 13.725 -5.466 1.00 75.31 C ATOM 1174 C ASP A 82 2.154 15.122 -5.415 1.00 25.54 C ATOM 1175 O ASP A 82 3.282 15.303 -5.866 1.00 14.13 O ATOM 1176 CB ASP A 82 0.812 13.400 -4.143 1.00 52.33 C ATOM 1177 CG ASP A 82 -0.583 13.988 -4.062 1.00 4.44 C ATOM 1178 OD1 ASP A 82 -0.731 15.163 -3.698 1.00 13.11 O ATOM 1179 OD2 ASP A 82 -1.561 13.279 -4.365 1.00 51.55 O ATOM 0 H ASP A 82 3.554 13.188 -5.436 1.00 1.34 H new ATOM 0 HA ASP A 82 0.810 13.656 -6.272 1.00 75.31 H new ATOM 0 HB2 ASP A 82 0.749 12.318 -4.028 1.00 52.33 H new ATOM 0 HB3 ASP A 82 1.405 13.775 -3.309 1.00 52.33 H new ATOM 1184 N VAL A 83 1.444 16.089 -4.890 1.00 53.45 N ATOM 1185 CA VAL A 83 1.944 17.448 -4.783 1.00 45.45 C ATOM 1186 C VAL A 83 2.819 17.579 -3.529 1.00 11.33 C ATOM 1187 O VAL A 83 3.849 18.269 -3.533 1.00 70.01 O ATOM 1188 CB VAL A 83 0.771 18.475 -4.719 1.00 73.44 C ATOM 1189 CG1 VAL A 83 1.289 19.911 -4.671 1.00 1.40 C ATOM 1190 CG2 VAL A 83 -0.174 18.290 -5.901 1.00 71.31 C ATOM 0 H VAL A 83 0.501 15.962 -4.523 1.00 53.45 H new ATOM 0 HA VAL A 83 2.539 17.666 -5.670 1.00 45.45 H new ATOM 0 HB VAL A 83 0.219 18.287 -3.798 1.00 73.44 H new ATOM 0 HG11 VAL A 83 0.446 20.601 -4.627 1.00 1.40 H new ATOM 0 HG12 VAL A 83 1.913 20.043 -3.787 1.00 1.40 H new ATOM 0 HG13 VAL A 83 1.878 20.115 -5.565 1.00 1.40 H new ATOM 0 HG21 VAL A 83 -0.984 19.016 -5.836 1.00 71.31 H new ATOM 0 HG22 VAL A 83 0.374 18.439 -6.832 1.00 71.31 H new ATOM 0 HG23 VAL A 83 -0.588 17.282 -5.882 1.00 71.31 H new ATOM 1200 N THR A 84 2.423 16.879 -2.484 1.00 3.53 N ATOM 1201 CA THR A 84 3.110 16.917 -1.212 1.00 74.22 C ATOM 1202 C THR A 84 4.410 16.099 -1.277 1.00 50.03 C ATOM 1203 O THR A 84 4.546 15.175 -2.093 1.00 64.05 O ATOM 1204 CB THR A 84 2.182 16.391 -0.056 1.00 71.25 C ATOM 1205 OG1 THR A 84 2.843 16.476 1.227 1.00 42.33 O ATOM 1206 CG2 THR A 84 1.745 14.947 -0.304 1.00 13.24 C ATOM 0 H THR A 84 1.609 16.264 -2.496 1.00 3.53 H new ATOM 0 HA THR A 84 3.365 17.954 -0.995 1.00 74.22 H new ATOM 0 HB THR A 84 1.299 17.030 -0.045 1.00 71.25 H new ATOM 0 HG1 THR A 84 2.243 16.144 1.927 1.00 42.33 H new ATOM 0 HG21 THR A 84 1.105 14.615 0.514 1.00 13.24 H new ATOM 0 HG22 THR A 84 1.194 14.890 -1.243 1.00 13.24 H new ATOM 0 HG23 THR A 84 2.624 14.305 -0.360 1.00 13.24 H new ATOM 1214 N VAL A 85 5.370 16.466 -0.470 1.00 24.52 N ATOM 1215 CA VAL A 85 6.602 15.719 -0.386 1.00 72.33 C ATOM 1216 C VAL A 85 6.579 14.891 0.877 1.00 4.05 C ATOM 1217 O VAL A 85 6.792 15.397 1.977 1.00 40.32 O ATOM 1218 CB VAL A 85 7.877 16.614 -0.393 1.00 43.31 C ATOM 1219 CG1 VAL A 85 9.139 15.750 -0.357 1.00 0.15 C ATOM 1220 CG2 VAL A 85 7.896 17.517 -1.610 1.00 74.24 C ATOM 0 H VAL A 85 5.324 17.281 0.142 1.00 24.52 H new ATOM 0 HA VAL A 85 6.660 15.093 -1.276 1.00 72.33 H new ATOM 0 HB VAL A 85 7.855 17.240 0.499 1.00 43.31 H new ATOM 0 HG11 VAL A 85 10.020 16.392 -0.362 1.00 0.15 H new ATOM 0 HG12 VAL A 85 9.138 15.143 0.548 1.00 0.15 H new ATOM 0 HG13 VAL A 85 9.159 15.099 -1.231 1.00 0.15 H new ATOM 0 HG21 VAL A 85 8.796 18.132 -1.593 1.00 74.24 H new ATOM 0 HG22 VAL A 85 7.890 16.909 -2.514 1.00 74.24 H new ATOM 0 HG23 VAL A 85 7.016 18.160 -1.599 1.00 74.24 H new ATOM 1230 N SER A 86 6.252 13.655 0.728 1.00 62.23 N ATOM 1231 CA SER A 86 6.236 12.753 1.829 1.00 21.35 C ATOM 1232 C SER A 86 7.525 11.957 1.805 1.00 63.25 C ATOM 1233 O SER A 86 7.555 10.879 1.248 1.00 24.14 O ATOM 1234 CB SER A 86 5.025 11.832 1.693 1.00 11.40 C ATOM 1235 OG SER A 86 3.853 12.603 1.462 1.00 14.54 O ATOM 0 H SER A 86 5.987 13.238 -0.164 1.00 62.23 H new ATOM 0 HA SER A 86 6.161 13.287 2.777 1.00 21.35 H new ATOM 0 HB2 SER A 86 5.179 11.134 0.870 1.00 11.40 H new ATOM 0 HB3 SER A 86 4.906 11.237 2.598 1.00 11.40 H new ATOM 0 HG SER A 86 3.658 13.147 2.253 1.00 14.54 H new ATOM 1241 N ARG A 87 8.585 12.510 2.405 1.00 52.25 N ATOM 1242 CA ARG A 87 9.939 11.911 2.340 1.00 71.35 C ATOM 1243 C ARG A 87 9.947 10.458 2.832 1.00 12.14 C ATOM 1244 O ARG A 87 10.495 9.585 2.181 1.00 30.00 O ATOM 1245 CB ARG A 87 10.960 12.796 3.104 1.00 61.41 C ATOM 1246 CG ARG A 87 10.506 13.203 4.505 1.00 40.50 C ATOM 1247 CD ARG A 87 11.494 14.129 5.205 1.00 53.13 C ATOM 1248 NE ARG A 87 10.924 14.675 6.464 1.00 51.13 N ATOM 1249 CZ ARG A 87 11.601 14.930 7.598 1.00 41.02 C ATOM 1250 NH1 ARG A 87 12.888 14.629 7.703 1.00 15.24 N ATOM 1251 NH2 ARG A 87 10.975 15.500 8.621 1.00 31.13 N ATOM 0 H ARG A 87 8.539 13.374 2.945 1.00 52.25 H new ATOM 0 HA ARG A 87 10.245 11.878 1.294 1.00 71.35 H new ATOM 0 HB2 ARG A 87 11.905 12.258 3.182 1.00 61.41 H new ATOM 0 HB3 ARG A 87 11.153 13.696 2.520 1.00 61.41 H new ATOM 0 HG2 ARG A 87 9.537 13.698 4.438 1.00 40.50 H new ATOM 0 HG3 ARG A 87 10.365 12.307 5.110 1.00 40.50 H new ATOM 0 HD2 ARG A 87 12.412 13.585 5.425 1.00 53.13 H new ATOM 0 HD3 ARG A 87 11.762 14.949 4.539 1.00 53.13 H new ATOM 0 HE ARG A 87 9.924 14.876 6.469 1.00 51.13 H new ATOM 0 HH11 ARG A 87 13.377 14.199 6.918 1.00 15.24 H new ATOM 0 HH12 ARG A 87 13.389 14.828 8.569 1.00 15.24 H new ATOM 0 HH21 ARG A 87 9.987 15.742 8.544 1.00 31.13 H new ATOM 0 HH22 ARG A 87 11.482 15.696 9.484 1.00 31.13 H new ATOM 1265 N ARG A 88 9.307 10.222 3.946 1.00 64.50 N ATOM 1266 CA ARG A 88 9.060 8.896 4.474 1.00 42.13 C ATOM 1267 C ARG A 88 7.859 9.003 5.351 1.00 1.20 C ATOM 1268 O ARG A 88 7.883 9.732 6.348 1.00 34.01 O ATOM 1269 CB ARG A 88 10.235 8.293 5.287 1.00 25.02 C ATOM 1270 CG ARG A 88 11.467 7.888 4.484 1.00 50.33 C ATOM 1271 CD ARG A 88 12.417 7.057 5.325 1.00 72.03 C ATOM 1272 NE ARG A 88 12.887 7.775 6.509 1.00 31.15 N ATOM 1273 CZ ARG A 88 13.067 7.228 7.713 1.00 31.42 C ATOM 1274 NH1 ARG A 88 12.880 5.922 7.893 1.00 44.44 N ATOM 1275 NH2 ARG A 88 13.465 7.986 8.724 1.00 64.44 N ATOM 0 H ARG A 88 8.930 10.966 4.533 1.00 64.50 H new ATOM 0 HA ARG A 88 8.922 8.221 3.630 1.00 42.13 H new ATOM 0 HB2 ARG A 88 10.540 9.020 6.040 1.00 25.02 H new ATOM 0 HB3 ARG A 88 9.869 7.416 5.820 1.00 25.02 H new ATOM 0 HG2 ARG A 88 11.162 7.320 3.605 1.00 50.33 H new ATOM 0 HG3 ARG A 88 11.980 8.780 4.124 1.00 50.33 H new ATOM 0 HD2 ARG A 88 11.916 6.140 5.635 1.00 72.03 H new ATOM 0 HD3 ARG A 88 13.273 6.763 4.718 1.00 72.03 H new ATOM 0 HE ARG A 88 13.093 8.769 6.407 1.00 31.15 H new ATOM 0 HH11 ARG A 88 12.598 5.334 7.109 1.00 44.44 H new ATOM 0 HH12 ARG A 88 13.019 5.509 8.815 1.00 44.44 H new ATOM 0 HH21 ARG A 88 13.632 8.982 8.580 1.00 64.44 H new ATOM 0 HH22 ARG A 88 13.604 7.574 9.647 1.00 64.44 H new ATOM 1289 N HIS A 89 6.794 8.367 4.968 1.00 13.31 N ATOM 1290 CA HIS A 89 5.598 8.453 5.754 1.00 31.25 C ATOM 1291 C HIS A 89 5.463 7.213 6.619 1.00 1.34 C ATOM 1292 O HIS A 89 5.343 7.310 7.848 1.00 34.44 O ATOM 1293 CB HIS A 89 4.366 8.659 4.850 1.00 25.54 C ATOM 1294 CG HIS A 89 3.080 8.960 5.584 1.00 25.21 C ATOM 1295 ND1 HIS A 89 1.887 8.993 4.933 1.00 22.22 N ATOM 1296 CD2 HIS A 89 2.868 9.248 6.885 1.00 64.14 C ATOM 1297 CE1 HIS A 89 0.983 9.294 5.840 1.00 64.31 C ATOM 1298 NE2 HIS A 89 1.536 9.456 7.038 1.00 63.31 N ATOM 0 H HIS A 89 6.726 7.791 4.129 1.00 13.31 H new ATOM 0 HA HIS A 89 5.661 9.320 6.412 1.00 31.25 H new ATOM 0 HB2 HIS A 89 4.573 9.477 4.160 1.00 25.54 H new ATOM 0 HB3 HIS A 89 4.222 7.762 4.248 1.00 25.54 H new ATOM 0 HD2 HIS A 89 3.618 9.303 7.660 1.00 64.14 H new ATOM 0 HE1 HIS A 89 -0.073 9.396 5.637 1.00 64.31 H new ATOM 0 HE2 HIS A 89 1.052 9.691 7.905 1.00 63.31 H new ATOM 1306 N ALA A 90 5.557 6.054 6.006 1.00 55.21 N ATOM 1307 CA ALA A 90 5.383 4.824 6.742 1.00 62.15 C ATOM 1308 C ALA A 90 6.135 3.706 6.081 1.00 60.52 C ATOM 1309 O ALA A 90 6.465 3.788 4.891 1.00 72.33 O ATOM 1310 CB ALA A 90 3.900 4.476 6.845 1.00 4.51 C ATOM 0 H ALA A 90 5.751 5.938 5.011 1.00 55.21 H new ATOM 0 HA ALA A 90 5.781 4.962 7.747 1.00 62.15 H new ATOM 0 HB1 ALA A 90 3.782 3.547 7.402 1.00 4.51 H new ATOM 0 HB2 ALA A 90 3.373 5.278 7.362 1.00 4.51 H new ATOM 0 HB3 ALA A 90 3.484 4.355 5.845 1.00 4.51 H new ATOM 1316 N GLU A 91 6.433 2.691 6.834 1.00 34.14 N ATOM 1317 CA GLU A 91 7.066 1.530 6.307 1.00 40.44 C ATOM 1318 C GLU A 91 6.346 0.283 6.786 1.00 12.24 C ATOM 1319 O GLU A 91 5.767 0.257 7.880 1.00 11.05 O ATOM 1320 CB GLU A 91 8.586 1.499 6.588 1.00 53.30 C ATOM 1321 CG GLU A 91 9.000 1.550 8.048 1.00 54.33 C ATOM 1322 CD GLU A 91 10.508 1.584 8.198 1.00 52.22 C ATOM 1323 OE1 GLU A 91 11.094 2.685 8.210 1.00 54.34 O ATOM 1324 OE2 GLU A 91 11.139 0.521 8.284 1.00 54.30 O ATOM 0 H GLU A 91 6.241 2.649 7.835 1.00 34.14 H new ATOM 0 HA GLU A 91 6.986 1.563 5.220 1.00 40.44 H new ATOM 0 HB2 GLU A 91 8.997 0.591 6.147 1.00 53.30 H new ATOM 0 HB3 GLU A 91 9.047 2.341 6.072 1.00 53.30 H new ATOM 0 HG2 GLU A 91 8.567 2.432 8.519 1.00 54.33 H new ATOM 0 HG3 GLU A 91 8.601 0.681 8.571 1.00 54.33 H new ATOM 1331 N PHE A 92 6.356 -0.713 5.960 1.00 51.34 N ATOM 1332 CA PHE A 92 5.671 -1.953 6.198 1.00 75.53 C ATOM 1333 C PHE A 92 6.691 -2.985 6.566 1.00 53.02 C ATOM 1334 O PHE A 92 7.572 -3.298 5.770 1.00 24.13 O ATOM 1335 CB PHE A 92 4.963 -2.427 4.914 1.00 0.12 C ATOM 1336 CG PHE A 92 3.929 -1.488 4.359 1.00 1.02 C ATOM 1337 CD1 PHE A 92 4.300 -0.360 3.637 1.00 3.05 C ATOM 1338 CD2 PHE A 92 2.589 -1.741 4.544 1.00 24.32 C ATOM 1339 CE1 PHE A 92 3.348 0.491 3.121 1.00 44.42 C ATOM 1340 CE2 PHE A 92 1.635 -0.891 4.030 1.00 45.15 C ATOM 1341 CZ PHE A 92 2.015 0.226 3.320 1.00 53.12 C ATOM 0 H PHE A 92 6.856 -0.690 5.071 1.00 51.34 H new ATOM 0 HA PHE A 92 4.936 -1.812 6.990 1.00 75.53 H new ATOM 0 HB2 PHE A 92 5.718 -2.602 4.147 1.00 0.12 H new ATOM 0 HB3 PHE A 92 4.486 -3.386 5.116 1.00 0.12 H new ATOM 0 HD1 PHE A 92 5.347 -0.148 3.479 1.00 3.05 H new ATOM 0 HD2 PHE A 92 2.282 -2.616 5.098 1.00 24.32 H new ATOM 0 HE1 PHE A 92 3.649 1.364 2.561 1.00 44.42 H new ATOM 0 HE2 PHE A 92 0.587 -1.101 4.184 1.00 45.15 H new ATOM 0 HZ PHE A 92 1.266 0.893 2.920 1.00 53.12 H new ATOM 1351 N ARG A 93 6.606 -3.493 7.739 1.00 54.41 N ATOM 1352 CA ARG A 93 7.527 -4.495 8.154 1.00 14.13 C ATOM 1353 C ARG A 93 6.807 -5.821 8.166 1.00 51.44 C ATOM 1354 O ARG A 93 5.678 -5.916 8.656 1.00 10.02 O ATOM 1355 CB ARG A 93 8.105 -4.189 9.526 1.00 21.22 C ATOM 1356 CG ARG A 93 9.304 -5.051 9.834 1.00 51.23 C ATOM 1357 CD ARG A 93 9.823 -4.848 11.248 1.00 42.10 C ATOM 1358 NE ARG A 93 8.859 -5.269 12.279 1.00 33.22 N ATOM 1359 CZ ARG A 93 9.160 -5.489 13.569 1.00 34.41 C ATOM 1360 NH1 ARG A 93 10.408 -5.369 14.004 1.00 63.13 N ATOM 1361 NH2 ARG A 93 8.204 -5.836 14.405 1.00 11.15 N ATOM 0 H ARG A 93 5.907 -3.233 8.435 1.00 54.41 H new ATOM 0 HA ARG A 93 8.365 -4.525 7.457 1.00 14.13 H new ATOM 0 HB2 ARG A 93 8.391 -3.138 9.574 1.00 21.22 H new ATOM 0 HB3 ARG A 93 7.340 -4.346 10.286 1.00 21.22 H new ATOM 0 HG2 ARG A 93 9.038 -6.099 9.696 1.00 51.23 H new ATOM 0 HG3 ARG A 93 10.100 -4.827 9.123 1.00 51.23 H new ATOM 0 HD2 ARG A 93 10.749 -5.409 11.373 1.00 42.10 H new ATOM 0 HD3 ARG A 93 10.065 -3.795 11.393 1.00 42.10 H new ATOM 0 HE ARG A 93 7.890 -5.404 11.991 1.00 33.22 H new ATOM 0 HH11 ARG A 93 11.151 -5.107 13.356 1.00 63.13 H new ATOM 0 HH12 ARG A 93 10.624 -5.539 14.986 1.00 63.13 H new ATOM 0 HH21 ARG A 93 7.245 -5.935 14.071 1.00 11.15 H new ATOM 0 HH22 ARG A 93 8.422 -6.005 15.387 1.00 11.15 H new ATOM 1375 N ILE A 94 7.420 -6.820 7.616 1.00 63.11 N ATOM 1376 CA ILE A 94 6.802 -8.113 7.538 1.00 63.14 C ATOM 1377 C ILE A 94 7.582 -9.099 8.380 1.00 41.33 C ATOM 1378 O ILE A 94 8.813 -9.173 8.277 1.00 10.24 O ATOM 1379 CB ILE A 94 6.753 -8.639 6.084 1.00 4.00 C ATOM 1380 CG1 ILE A 94 6.196 -7.566 5.141 1.00 4.33 C ATOM 1381 CG2 ILE A 94 5.892 -9.903 6.019 1.00 34.32 C ATOM 1382 CD1 ILE A 94 6.093 -8.007 3.695 1.00 73.34 C ATOM 0 H ILE A 94 8.355 -6.768 7.211 1.00 63.11 H new ATOM 0 HA ILE A 94 5.781 -8.012 7.905 1.00 63.14 H new ATOM 0 HB ILE A 94 7.766 -8.882 5.764 1.00 4.00 H new ATOM 0 HG12 ILE A 94 5.207 -7.268 5.490 1.00 4.33 H new ATOM 0 HG13 ILE A 94 6.833 -6.683 5.196 1.00 4.33 H new ATOM 0 HG21 ILE A 94 5.861 -10.270 4.993 1.00 34.32 H new ATOM 0 HG22 ILE A 94 6.321 -10.669 6.665 1.00 34.32 H new ATOM 0 HG23 ILE A 94 4.880 -9.672 6.353 1.00 34.32 H new ATOM 0 HD11 ILE A 94 5.691 -7.192 3.094 1.00 73.34 H new ATOM 0 HD12 ILE A 94 7.082 -8.276 3.325 1.00 73.34 H new ATOM 0 HD13 ILE A 94 5.432 -8.871 3.624 1.00 73.34 H new ATOM 1394 N ASN A 95 6.892 -9.793 9.244 1.00 12.42 N ATOM 1395 CA ASN A 95 7.497 -10.835 10.040 1.00 62.20 C ATOM 1396 C ASN A 95 6.554 -12.016 10.118 1.00 72.45 C ATOM 1397 O ASN A 95 5.402 -11.859 10.550 1.00 35.12 O ATOM 1398 CB ASN A 95 7.872 -10.334 11.445 1.00 71.13 C ATOM 1399 CG ASN A 95 8.474 -11.425 12.329 1.00 74.12 C ATOM 1400 OD1 ASN A 95 7.771 -12.121 13.045 1.00 71.53 O ATOM 1401 ND2 ASN A 95 9.775 -11.557 12.318 1.00 21.30 N ATOM 0 H ASN A 95 5.897 -9.655 9.418 1.00 12.42 H new ATOM 0 HA ASN A 95 8.425 -11.145 9.559 1.00 62.20 H new ATOM 0 HB2 ASN A 95 8.585 -9.514 11.354 1.00 71.13 H new ATOM 0 HB3 ASN A 95 6.983 -9.931 11.930 1.00 71.13 H new ATOM 0 HD21 ASN A 95 10.222 -12.252 12.916 1.00 21.30 H new ATOM 0 HD22 ASN A 95 10.343 -10.965 11.712 1.00 21.30 H new ATOM 1408 N GLU A 96 7.026 -13.172 9.653 1.00 75.14 N ATOM 1409 CA GLU A 96 6.273 -14.437 9.661 1.00 51.14 C ATOM 1410 C GLU A 96 4.928 -14.315 8.945 1.00 63.22 C ATOM 1411 O GLU A 96 3.925 -14.922 9.348 1.00 60.31 O ATOM 1412 CB GLU A 96 6.084 -14.942 11.088 1.00 12.21 C ATOM 1413 CG GLU A 96 7.384 -15.307 11.777 1.00 70.51 C ATOM 1414 CD GLU A 96 7.192 -15.804 13.185 1.00 64.25 C ATOM 1415 OE1 GLU A 96 6.048 -16.113 13.585 1.00 41.54 O ATOM 1416 OE2 GLU A 96 8.193 -15.936 13.915 1.00 32.02 O ATOM 0 H GLU A 96 7.959 -13.263 9.252 1.00 75.14 H new ATOM 0 HA GLU A 96 6.864 -15.167 9.107 1.00 51.14 H new ATOM 0 HB2 GLU A 96 5.575 -14.175 11.672 1.00 12.21 H new ATOM 0 HB3 GLU A 96 5.432 -15.816 11.073 1.00 12.21 H new ATOM 0 HG2 GLU A 96 7.893 -16.075 11.194 1.00 70.51 H new ATOM 0 HG3 GLU A 96 8.036 -14.434 11.793 1.00 70.51 H new ATOM 1423 N GLY A 97 4.920 -13.569 7.867 1.00 44.14 N ATOM 1424 CA GLY A 97 3.720 -13.414 7.080 1.00 15.20 C ATOM 1425 C GLY A 97 2.787 -12.332 7.585 1.00 44.35 C ATOM 1426 O GLY A 97 1.778 -12.054 6.955 1.00 24.23 O ATOM 0 H GLY A 97 5.730 -13.060 7.514 1.00 44.14 H new ATOM 0 HA2 GLY A 97 3.999 -13.187 6.051 1.00 15.20 H new ATOM 0 HA3 GLY A 97 3.184 -14.363 7.063 1.00 15.20 H new ATOM 1430 N GLU A 98 3.105 -11.714 8.708 1.00 0.20 N ATOM 1431 CA GLU A 98 2.253 -10.661 9.212 1.00 31.32 C ATOM 1432 C GLU A 98 2.866 -9.318 8.906 1.00 34.23 C ATOM 1433 O GLU A 98 4.067 -9.086 9.144 1.00 23.12 O ATOM 1434 CB GLU A 98 1.931 -10.821 10.700 1.00 74.44 C ATOM 1435 CG GLU A 98 1.275 -12.155 11.018 1.00 63.13 C ATOM 1436 CD GLU A 98 0.571 -12.180 12.347 1.00 63.01 C ATOM 1437 OE1 GLU A 98 1.221 -12.336 13.397 1.00 35.32 O ATOM 1438 OE2 GLU A 98 -0.680 -12.072 12.364 1.00 71.54 O ATOM 0 H GLU A 98 3.928 -11.919 9.275 1.00 0.20 H new ATOM 0 HA GLU A 98 1.294 -10.731 8.699 1.00 31.32 H new ATOM 0 HB2 GLU A 98 2.850 -10.725 11.279 1.00 74.44 H new ATOM 0 HB3 GLU A 98 1.271 -10.012 11.014 1.00 74.44 H new ATOM 0 HG2 GLU A 98 0.558 -12.394 10.232 1.00 63.13 H new ATOM 0 HG3 GLU A 98 2.035 -12.936 11.004 1.00 63.13 H new ATOM 1445 N PHE A 99 2.050 -8.449 8.372 1.00 12.31 N ATOM 1446 CA PHE A 99 2.483 -7.176 7.857 1.00 25.32 C ATOM 1447 C PHE A 99 2.079 -6.081 8.829 1.00 53.11 C ATOM 1448 O PHE A 99 0.902 -5.948 9.165 1.00 22.30 O ATOM 1449 CB PHE A 99 1.777 -6.911 6.509 1.00 65.23 C ATOM 1450 CG PHE A 99 1.653 -8.129 5.610 1.00 62.05 C ATOM 1451 CD1 PHE A 99 2.678 -8.509 4.770 1.00 3.23 C ATOM 1452 CD2 PHE A 99 0.493 -8.894 5.624 1.00 3.45 C ATOM 1453 CE1 PHE A 99 2.561 -9.625 3.961 1.00 0.41 C ATOM 1454 CE2 PHE A 99 0.369 -10.007 4.821 1.00 20.42 C ATOM 1455 CZ PHE A 99 1.404 -10.375 3.989 1.00 22.20 C ATOM 0 H PHE A 99 1.047 -8.608 8.281 1.00 12.31 H new ATOM 0 HA PHE A 99 3.565 -7.185 7.725 1.00 25.32 H new ATOM 0 HB2 PHE A 99 0.779 -6.519 6.707 1.00 65.23 H new ATOM 0 HB3 PHE A 99 2.324 -6.135 5.974 1.00 65.23 H new ATOM 0 HD1 PHE A 99 3.587 -7.926 4.743 1.00 3.23 H new ATOM 0 HD2 PHE A 99 -0.323 -8.612 6.273 1.00 3.45 H new ATOM 0 HE1 PHE A 99 3.374 -9.908 3.309 1.00 0.41 H new ATOM 0 HE2 PHE A 99 -0.539 -10.591 4.844 1.00 20.42 H new ATOM 0 HZ PHE A 99 1.309 -11.248 3.361 1.00 22.20 H new ATOM 1465 N GLU A 100 3.016 -5.316 9.284 1.00 40.31 N ATOM 1466 CA GLU A 100 2.708 -4.231 10.174 1.00 60.12 C ATOM 1467 C GLU A 100 3.151 -2.923 9.555 1.00 65.34 C ATOM 1468 O GLU A 100 4.221 -2.845 8.945 1.00 41.04 O ATOM 1469 CB GLU A 100 3.349 -4.450 11.549 1.00 34.42 C ATOM 1470 CG GLU A 100 4.864 -4.499 11.532 1.00 20.32 C ATOM 1471 CD GLU A 100 5.444 -4.844 12.861 1.00 12.14 C ATOM 1472 OE1 GLU A 100 5.424 -4.004 13.779 1.00 32.53 O ATOM 1473 OE2 GLU A 100 5.927 -5.973 13.025 1.00 61.24 O ATOM 0 H GLU A 100 4.005 -5.418 9.057 1.00 40.31 H new ATOM 0 HA GLU A 100 1.630 -4.192 10.327 1.00 60.12 H new ATOM 0 HB2 GLU A 100 3.031 -3.649 12.217 1.00 34.42 H new ATOM 0 HB3 GLU A 100 2.972 -5.383 11.968 1.00 34.42 H new ATOM 0 HG2 GLU A 100 5.191 -5.233 10.796 1.00 20.32 H new ATOM 0 HG3 GLU A 100 5.251 -3.532 11.211 1.00 20.32 H new ATOM 1480 N VAL A 101 2.331 -1.921 9.668 1.00 1.32 N ATOM 1481 CA VAL A 101 2.663 -0.634 9.130 1.00 1.12 C ATOM 1482 C VAL A 101 3.069 0.240 10.285 1.00 61.01 C ATOM 1483 O VAL A 101 2.306 0.404 11.241 1.00 65.30 O ATOM 1484 CB VAL A 101 1.437 0.006 8.431 1.00 42.13 C ATOM 1485 CG1 VAL A 101 1.814 1.302 7.723 1.00 1.13 C ATOM 1486 CG2 VAL A 101 0.790 -0.970 7.469 1.00 43.45 C ATOM 0 H VAL A 101 1.423 -1.970 10.130 1.00 1.32 H new ATOM 0 HA VAL A 101 3.462 -0.736 8.396 1.00 1.12 H new ATOM 0 HB VAL A 101 0.708 0.252 9.203 1.00 42.13 H new ATOM 0 HG11 VAL A 101 0.931 1.725 7.243 1.00 1.13 H new ATOM 0 HG12 VAL A 101 2.207 2.013 8.450 1.00 1.13 H new ATOM 0 HG13 VAL A 101 2.574 1.097 6.969 1.00 1.13 H new ATOM 0 HG21 VAL A 101 -0.068 -0.496 6.992 1.00 43.45 H new ATOM 0 HG22 VAL A 101 1.513 -1.263 6.708 1.00 43.45 H new ATOM 0 HG23 VAL A 101 0.459 -1.854 8.015 1.00 43.45 H new ATOM 1496 N VAL A 102 4.251 0.762 10.220 1.00 61.20 N ATOM 1497 CA VAL A 102 4.767 1.630 11.245 1.00 44.22 C ATOM 1498 C VAL A 102 5.080 2.972 10.607 1.00 14.32 C ATOM 1499 O VAL A 102 5.665 3.008 9.519 1.00 5.13 O ATOM 1500 CB VAL A 102 6.060 1.038 11.879 1.00 63.45 C ATOM 1501 CG1 VAL A 102 6.551 1.892 13.032 1.00 23.02 C ATOM 1502 CG2 VAL A 102 5.842 -0.400 12.339 1.00 0.13 C ATOM 0 H VAL A 102 4.898 0.600 9.448 1.00 61.20 H new ATOM 0 HA VAL A 102 4.026 1.739 12.037 1.00 44.22 H new ATOM 0 HB VAL A 102 6.828 1.037 11.105 1.00 63.45 H new ATOM 0 HG11 VAL A 102 7.455 1.451 13.452 1.00 23.02 H new ATOM 0 HG12 VAL A 102 6.771 2.897 12.672 1.00 23.02 H new ATOM 0 HG13 VAL A 102 5.780 1.943 13.801 1.00 23.02 H new ATOM 0 HG21 VAL A 102 6.763 -0.785 12.777 1.00 0.13 H new ATOM 0 HG22 VAL A 102 5.047 -0.427 13.084 1.00 0.13 H new ATOM 0 HG23 VAL A 102 5.561 -1.016 11.485 1.00 0.13 H new ATOM 1512 N ASP A 103 4.677 4.053 11.230 1.00 30.33 N ATOM 1513 CA ASP A 103 4.965 5.374 10.684 1.00 1.21 C ATOM 1514 C ASP A 103 6.414 5.744 10.951 1.00 23.24 C ATOM 1515 O ASP A 103 7.021 5.312 11.954 1.00 55.41 O ATOM 1516 CB ASP A 103 4.045 6.482 11.258 1.00 41.03 C ATOM 1517 CG ASP A 103 4.656 7.263 12.430 1.00 34.14 C ATOM 1518 OD1 ASP A 103 4.505 6.841 13.590 1.00 71.41 O ATOM 1519 OD2 ASP A 103 5.283 8.341 12.180 1.00 72.22 O ATOM 0 H ASP A 103 4.154 4.054 12.106 1.00 30.33 H new ATOM 0 HA ASP A 103 4.775 5.313 9.612 1.00 1.21 H new ATOM 0 HB2 ASP A 103 3.797 7.182 10.460 1.00 41.03 H new ATOM 0 HB3 ASP A 103 3.110 6.028 11.587 1.00 41.03 H new ATOM 1524 N VAL A 104 6.959 6.508 10.052 1.00 74.40 N ATOM 1525 CA VAL A 104 8.307 7.040 10.145 1.00 52.31 C ATOM 1526 C VAL A 104 8.263 8.482 9.704 1.00 71.11 C ATOM 1527 O VAL A 104 9.260 9.072 9.255 1.00 43.40 O ATOM 1528 CB VAL A 104 9.327 6.235 9.286 1.00 2.30 C ATOM 1529 CG1 VAL A 104 9.573 4.875 9.903 1.00 50.21 C ATOM 1530 CG2 VAL A 104 8.831 6.070 7.855 1.00 31.35 C ATOM 0 H VAL A 104 6.471 6.793 9.203 1.00 74.40 H new ATOM 0 HA VAL A 104 8.651 6.957 11.176 1.00 52.31 H new ATOM 0 HB VAL A 104 10.262 6.795 9.263 1.00 2.30 H new ATOM 0 HG11 VAL A 104 10.288 4.323 9.293 1.00 50.21 H new ATOM 0 HG12 VAL A 104 9.974 4.999 10.909 1.00 50.21 H new ATOM 0 HG13 VAL A 104 8.635 4.323 9.952 1.00 50.21 H new ATOM 0 HG21 VAL A 104 9.563 5.504 7.279 1.00 31.35 H new ATOM 0 HG22 VAL A 104 7.881 5.536 7.859 1.00 31.35 H new ATOM 0 HG23 VAL A 104 8.693 7.052 7.402 1.00 31.35 H new ATOM 1540 N GLY A 105 7.106 9.054 9.890 1.00 73.31 N ATOM 1541 CA GLY A 105 6.859 10.381 9.481 1.00 14.40 C ATOM 1542 C GLY A 105 5.396 10.599 9.276 1.00 55.03 C ATOM 1543 O GLY A 105 4.970 11.034 8.200 1.00 31.23 O ATOM 0 H GLY A 105 6.310 8.596 10.335 1.00 73.31 H new ATOM 0 HA2 GLY A 105 7.235 11.076 10.232 1.00 14.40 H new ATOM 0 HA3 GLY A 105 7.397 10.589 8.556 1.00 14.40 H new ATOM 1547 N SER A 106 4.614 10.339 10.330 1.00 15.11 N ATOM 1548 CA SER A 106 3.138 10.482 10.349 1.00 11.12 C ATOM 1549 C SER A 106 2.694 11.968 10.188 1.00 11.32 C ATOM 1550 O SER A 106 1.517 12.306 10.322 1.00 50.35 O ATOM 1551 CB SER A 106 2.594 9.898 11.679 1.00 1.40 C ATOM 1552 OG SER A 106 1.179 9.725 11.660 1.00 61.14 O ATOM 0 H SER A 106 4.991 10.015 11.220 1.00 15.11 H new ATOM 0 HA SER A 106 2.727 9.933 9.502 1.00 11.12 H new ATOM 0 HB2 SER A 106 3.072 8.938 11.873 1.00 1.40 H new ATOM 0 HB3 SER A 106 2.865 10.561 12.501 1.00 1.40 H new ATOM 0 HG SER A 106 0.757 10.523 11.280 1.00 61.14 H new ATOM 1558 N LEU A 107 3.638 12.807 9.838 1.00 24.04 N ATOM 1559 CA LEU A 107 3.469 14.229 9.636 1.00 1.43 C ATOM 1560 C LEU A 107 2.554 14.505 8.443 1.00 64.35 C ATOM 1561 O LEU A 107 2.019 15.581 8.309 1.00 31.43 O ATOM 1562 CB LEU A 107 4.840 14.857 9.392 1.00 3.35 C ATOM 1563 CG LEU A 107 5.895 14.622 10.478 1.00 41.31 C ATOM 1564 CD1 LEU A 107 7.213 15.255 10.081 1.00 31.42 C ATOM 1565 CD2 LEU A 107 5.427 15.169 11.816 1.00 4.22 C ATOM 0 H LEU A 107 4.598 12.501 9.677 1.00 24.04 H new ATOM 0 HA LEU A 107 3.008 14.663 10.523 1.00 1.43 H new ATOM 0 HB2 LEU A 107 5.229 14.475 8.448 1.00 3.35 H new ATOM 0 HB3 LEU A 107 4.708 15.932 9.270 1.00 3.35 H new ATOM 0 HG LEU A 107 6.041 13.547 10.582 1.00 41.31 H new ATOM 0 HD11 LEU A 107 7.951 15.079 10.863 1.00 31.42 H new ATOM 0 HD12 LEU A 107 7.562 14.814 9.147 1.00 31.42 H new ATOM 0 HD13 LEU A 107 7.076 16.328 9.947 1.00 31.42 H new ATOM 0 HD21 LEU A 107 6.193 14.990 12.570 1.00 4.22 H new ATOM 0 HD22 LEU A 107 5.247 16.241 11.728 1.00 4.22 H new ATOM 0 HD23 LEU A 107 4.504 14.669 12.111 1.00 4.22 H new ATOM 1577 N ASN A 108 2.408 13.519 7.576 1.00 54.12 N ATOM 1578 CA ASN A 108 1.567 13.654 6.383 1.00 74.55 C ATOM 1579 C ASN A 108 0.131 13.292 6.702 1.00 52.23 C ATOM 1580 O ASN A 108 -0.776 13.595 5.937 1.00 54.45 O ATOM 1581 CB ASN A 108 2.076 12.750 5.248 1.00 32.02 C ATOM 1582 CG ASN A 108 3.443 13.140 4.739 1.00 34.11 C ATOM 1583 OD1 ASN A 108 3.569 13.939 3.811 1.00 21.40 O ATOM 1584 ND2 ASN A 108 4.486 12.573 5.313 1.00 13.25 N ATOM 0 H ASN A 108 2.860 12.609 7.670 1.00 54.12 H new ATOM 0 HA ASN A 108 1.616 14.694 6.059 1.00 74.55 H new ATOM 0 HB2 ASN A 108 2.108 11.719 5.601 1.00 32.02 H new ATOM 0 HB3 ASN A 108 1.366 12.782 4.422 1.00 32.02 H new ATOM 0 HD21 ASN A 108 5.428 12.793 4.990 1.00 13.25 H new ATOM 0 HD22 ASN A 108 4.351 11.915 6.080 1.00 13.25 H new ATOM 1591 N GLY A 109 -0.066 12.673 7.850 1.00 3.02 N ATOM 1592 CA GLY A 109 -1.376 12.237 8.231 1.00 70.43 C ATOM 1593 C GLY A 109 -1.584 10.789 7.902 1.00 50.42 C ATOM 1594 O GLY A 109 -2.000 10.452 6.789 1.00 4.15 O ATOM 0 H GLY A 109 0.668 12.466 8.527 1.00 3.02 H new ATOM 0 HA2 GLY A 109 -1.517 12.393 9.300 1.00 70.43 H new ATOM 0 HA3 GLY A 109 -2.126 12.840 7.719 1.00 70.43 H new ATOM 1598 N THR A 110 -1.242 9.915 8.828 1.00 1.44 N ATOM 1599 CA THR A 110 -1.444 8.511 8.600 1.00 45.03 C ATOM 1600 C THR A 110 -2.857 8.146 9.020 1.00 55.12 C ATOM 1601 O THR A 110 -3.274 8.430 10.159 1.00 3.42 O ATOM 1602 CB THR A 110 -0.461 7.701 9.462 1.00 63.31 C ATOM 1603 OG1 THR A 110 0.830 8.306 9.378 1.00 5.42 O ATOM 1604 CG2 THR A 110 -0.368 6.257 8.972 1.00 61.13 C ATOM 0 H THR A 110 -0.830 10.154 9.730 1.00 1.44 H new ATOM 0 HA THR A 110 -1.284 8.288 7.545 1.00 45.03 H new ATOM 0 HB THR A 110 -0.818 7.695 10.492 1.00 63.31 H new ATOM 0 HG1 THR A 110 0.959 8.908 10.140 1.00 5.42 H new ATOM 0 HG21 THR A 110 0.333 5.705 9.598 1.00 61.13 H new ATOM 0 HG22 THR A 110 -1.351 5.789 9.029 1.00 61.13 H new ATOM 0 HG23 THR A 110 -0.020 6.245 7.939 1.00 61.13 H new ATOM 1612 N TYR A 111 -3.577 7.507 8.143 1.00 34.24 N ATOM 1613 CA TYR A 111 -4.896 7.063 8.434 1.00 74.24 C ATOM 1614 C TYR A 111 -5.062 5.668 7.917 1.00 72.22 C ATOM 1615 O TYR A 111 -4.626 5.355 6.829 1.00 1.11 O ATOM 1616 CB TYR A 111 -5.973 8.008 7.845 1.00 43.23 C ATOM 1617 CG TYR A 111 -6.097 9.354 8.537 1.00 42.03 C ATOM 1618 CD1 TYR A 111 -6.881 9.490 9.665 1.00 74.13 C ATOM 1619 CD2 TYR A 111 -5.440 10.484 8.059 1.00 25.34 C ATOM 1620 CE1 TYR A 111 -7.012 10.700 10.307 1.00 32.01 C ATOM 1621 CE2 TYR A 111 -5.565 11.706 8.698 1.00 74.22 C ATOM 1622 CZ TYR A 111 -6.355 11.802 9.826 1.00 13.52 C ATOM 1623 OH TYR A 111 -6.495 13.012 10.477 1.00 22.24 O ATOM 0 H TYR A 111 -3.257 7.281 7.201 1.00 34.24 H new ATOM 0 HA TYR A 111 -5.037 7.074 9.515 1.00 74.24 H new ATOM 0 HB2 TYR A 111 -5.749 8.178 6.792 1.00 43.23 H new ATOM 0 HB3 TYR A 111 -6.939 7.504 7.888 1.00 43.23 H new ATOM 0 HD1 TYR A 111 -7.403 8.628 10.052 1.00 74.13 H new ATOM 0 HD2 TYR A 111 -4.823 10.407 7.176 1.00 25.34 H new ATOM 0 HE1 TYR A 111 -7.631 10.781 11.188 1.00 32.01 H new ATOM 0 HE2 TYR A 111 -5.050 12.575 8.318 1.00 74.22 H new ATOM 0 HH TYR A 111 -5.800 13.631 10.170 1.00 22.24 H new ATOM 1633 N VAL A 112 -5.616 4.831 8.709 1.00 72.24 N ATOM 1634 CA VAL A 112 -5.925 3.491 8.306 1.00 11.20 C ATOM 1635 C VAL A 112 -7.396 3.326 8.558 1.00 50.43 C ATOM 1636 O VAL A 112 -7.838 3.488 9.699 1.00 20.45 O ATOM 1637 CB VAL A 112 -5.136 2.428 9.136 1.00 62.53 C ATOM 1638 CG1 VAL A 112 -5.514 1.014 8.704 1.00 63.35 C ATOM 1639 CG2 VAL A 112 -3.628 2.632 9.003 1.00 64.03 C ATOM 0 H VAL A 112 -5.876 5.049 9.671 1.00 72.24 H new ATOM 0 HA VAL A 112 -5.649 3.337 7.263 1.00 11.20 H new ATOM 0 HB VAL A 112 -5.409 2.559 10.183 1.00 62.53 H new ATOM 0 HG11 VAL A 112 -4.953 0.291 9.295 1.00 63.35 H new ATOM 0 HG12 VAL A 112 -6.582 0.859 8.860 1.00 63.35 H new ATOM 0 HG13 VAL A 112 -5.278 0.881 7.648 1.00 63.35 H new ATOM 0 HG21 VAL A 112 -3.106 1.878 9.591 1.00 64.03 H new ATOM 0 HG22 VAL A 112 -3.339 2.540 7.956 1.00 64.03 H new ATOM 0 HG23 VAL A 112 -3.362 3.624 9.367 1.00 64.03 H new ATOM 1649 N ASN A 113 -8.157 3.083 7.503 1.00 74.43 N ATOM 1650 CA ASN A 113 -9.627 2.941 7.576 1.00 72.14 C ATOM 1651 C ASN A 113 -10.251 4.197 8.213 1.00 21.12 C ATOM 1652 O ASN A 113 -11.226 4.124 8.979 1.00 34.53 O ATOM 1653 CB ASN A 113 -10.005 1.668 8.368 1.00 41.02 C ATOM 1654 CG ASN A 113 -9.544 0.376 7.699 1.00 53.21 C ATOM 1655 OD1 ASN A 113 -9.508 0.267 6.467 1.00 14.11 O ATOM 1656 ND2 ASN A 113 -9.160 -0.590 8.499 1.00 3.45 N ATOM 0 H ASN A 113 -7.783 2.976 6.560 1.00 74.43 H new ATOM 0 HA ASN A 113 -10.024 2.839 6.566 1.00 72.14 H new ATOM 0 HB2 ASN A 113 -9.569 1.727 9.365 1.00 41.02 H new ATOM 0 HB3 ASN A 113 -11.087 1.636 8.495 1.00 41.02 H new ATOM 0 HD21 ASN A 113 -8.817 -1.468 8.110 1.00 3.45 H new ATOM 0 HD22 ASN A 113 -9.204 -0.463 9.510 1.00 3.45 H new ATOM 1663 N ARG A 114 -9.677 5.352 7.838 1.00 22.52 N ATOM 1664 CA ARG A 114 -10.075 6.701 8.282 1.00 14.42 C ATOM 1665 C ARG A 114 -9.765 7.013 9.746 1.00 61.10 C ATOM 1666 O ARG A 114 -10.153 8.069 10.241 1.00 5.34 O ATOM 1667 CB ARG A 114 -11.527 7.044 7.915 1.00 65.52 C ATOM 1668 CG ARG A 114 -11.728 7.218 6.423 1.00 11.10 C ATOM 1669 CD ARG A 114 -13.173 7.469 6.049 1.00 30.23 C ATOM 1670 NE ARG A 114 -14.028 6.332 6.388 1.00 34.04 N ATOM 1671 CZ ARG A 114 -14.836 5.693 5.537 1.00 41.01 C ATOM 1672 NH1 ARG A 114 -14.772 5.931 4.223 1.00 22.34 N ATOM 1673 NH2 ARG A 114 -15.653 4.757 6.001 1.00 64.53 N ATOM 0 H ARG A 114 -8.890 5.374 7.190 1.00 22.52 H new ATOM 0 HA ARG A 114 -9.429 7.367 7.711 1.00 14.42 H new ATOM 0 HB2 ARG A 114 -12.185 6.254 8.276 1.00 65.52 H new ATOM 0 HB3 ARG A 114 -11.820 7.961 8.426 1.00 65.52 H new ATOM 0 HG2 ARG A 114 -11.118 8.051 6.074 1.00 11.10 H new ATOM 0 HG3 ARG A 114 -11.374 6.325 5.907 1.00 11.10 H new ATOM 0 HD2 ARG A 114 -13.532 8.360 6.564 1.00 30.23 H new ATOM 0 HD3 ARG A 114 -13.242 7.669 4.980 1.00 30.23 H new ATOM 0 HE ARG A 114 -14.006 6.000 7.352 1.00 34.04 H new ATOM 0 HH11 ARG A 114 -14.101 6.607 3.859 1.00 22.34 H new ATOM 0 HH12 ARG A 114 -15.395 5.436 3.584 1.00 22.34 H new ATOM 0 HH21 ARG A 114 -15.659 4.533 6.996 1.00 64.53 H new ATOM 0 HH22 ARG A 114 -16.275 4.261 5.363 1.00 64.53 H new ATOM 1687 N GLU A 115 -9.027 6.150 10.409 1.00 5.04 N ATOM 1688 CA GLU A 115 -8.599 6.407 11.776 1.00 44.53 C ATOM 1689 C GLU A 115 -7.099 6.662 11.822 1.00 63.21 C ATOM 1690 O GLU A 115 -6.327 5.961 11.152 1.00 31.22 O ATOM 1691 CB GLU A 115 -8.990 5.267 12.716 1.00 62.13 C ATOM 1692 CG GLU A 115 -10.467 5.225 13.067 1.00 53.41 C ATOM 1693 CD GLU A 115 -10.912 6.468 13.808 1.00 1.22 C ATOM 1694 OE1 GLU A 115 -10.603 6.608 15.001 1.00 75.04 O ATOM 1695 OE2 GLU A 115 -11.605 7.328 13.208 1.00 71.12 O ATOM 0 H GLU A 115 -8.707 5.260 10.026 1.00 5.04 H new ATOM 0 HA GLU A 115 -9.115 7.302 12.124 1.00 44.53 H new ATOM 0 HB2 GLU A 115 -8.711 4.320 12.255 1.00 62.13 H new ATOM 0 HB3 GLU A 115 -8.412 5.356 13.636 1.00 62.13 H new ATOM 0 HG2 GLU A 115 -11.053 5.118 12.154 1.00 53.41 H new ATOM 0 HG3 GLU A 115 -10.669 4.346 13.680 1.00 53.41 H new ATOM 1702 N PRO A 116 -6.666 7.681 12.575 1.00 70.44 N ATOM 1703 CA PRO A 116 -5.259 8.049 12.669 1.00 60.31 C ATOM 1704 C PRO A 116 -4.490 7.134 13.613 1.00 5.13 C ATOM 1705 O PRO A 116 -4.975 6.797 14.698 1.00 11.00 O ATOM 1706 CB PRO A 116 -5.310 9.471 13.235 1.00 41.05 C ATOM 1707 CG PRO A 116 -6.552 9.513 14.057 1.00 52.43 C ATOM 1708 CD PRO A 116 -7.522 8.562 13.410 1.00 31.34 C ATOM 0 HA PRO A 116 -4.747 7.971 11.710 1.00 60.31 H new ATOM 0 HB2 PRO A 116 -4.429 9.687 13.839 1.00 41.05 H new ATOM 0 HB3 PRO A 116 -5.339 10.213 12.437 1.00 41.05 H new ATOM 0 HG2 PRO A 116 -6.347 9.218 15.086 1.00 52.43 H new ATOM 0 HG3 PRO A 116 -6.962 10.523 14.090 1.00 52.43 H new ATOM 0 HD2 PRO A 116 -8.076 7.990 14.155 1.00 31.34 H new ATOM 0 HD3 PRO A 116 -8.257 9.093 12.805 1.00 31.34 H new ATOM 1716 N ARG A 117 -3.311 6.715 13.200 1.00 32.31 N ATOM 1717 CA ARG A 117 -2.455 5.879 14.031 1.00 61.30 C ATOM 1718 C ARG A 117 -1.007 6.144 13.719 1.00 11.12 C ATOM 1719 O ARG A 117 -0.675 6.999 12.890 1.00 63.23 O ATOM 1720 CB ARG A 117 -2.695 4.371 13.834 1.00 72.03 C ATOM 1721 CG ARG A 117 -4.052 3.846 14.216 1.00 73.32 C ATOM 1722 CD ARG A 117 -4.044 2.341 14.167 1.00 64.22 C ATOM 1723 NE ARG A 117 -5.377 1.751 14.287 1.00 1.52 N ATOM 1724 CZ ARG A 117 -5.624 0.506 14.729 1.00 12.54 C ATOM 1725 NH1 ARG A 117 -4.636 -0.234 15.228 1.00 10.55 N ATOM 1726 NH2 ARG A 117 -6.861 0.019 14.696 1.00 64.53 N ATOM 0 H ARG A 117 -2.917 6.940 12.286 1.00 32.31 H new ATOM 0 HA ARG A 117 -2.704 6.140 15.060 1.00 61.30 H new ATOM 0 HB2 ARG A 117 -2.522 4.133 12.784 1.00 72.03 H new ATOM 0 HB3 ARG A 117 -1.946 3.829 14.411 1.00 72.03 H new ATOM 0 HG2 ARG A 117 -4.316 4.186 15.218 1.00 73.32 H new ATOM 0 HG3 ARG A 117 -4.809 4.238 13.537 1.00 73.32 H new ATOM 0 HD2 ARG A 117 -3.594 2.017 13.228 1.00 64.22 H new ATOM 0 HD3 ARG A 117 -3.413 1.962 14.970 1.00 64.22 H new ATOM 0 HE ARG A 117 -6.176 2.325 14.016 1.00 1.52 H new ATOM 0 HH11 ARG A 117 -3.690 0.144 15.275 1.00 10.55 H new ATOM 0 HH12 ARG A 117 -4.825 -1.179 15.563 1.00 10.55 H new ATOM 0 HH21 ARG A 117 -7.625 0.591 14.335 1.00 64.53 H new ATOM 0 HH22 ARG A 117 -7.046 -0.926 15.032 1.00 64.53 H new ATOM 1740 N ASN A 118 -0.172 5.401 14.385 1.00 62.22 N ATOM 1741 CA ASN A 118 1.272 5.423 14.197 1.00 51.13 C ATOM 1742 C ASN A 118 1.769 4.039 13.818 1.00 14.21 C ATOM 1743 O ASN A 118 2.737 3.891 13.099 1.00 50.35 O ATOM 1744 CB ASN A 118 1.986 5.890 15.466 1.00 54.25 C ATOM 1745 CG ASN A 118 1.876 7.380 15.712 1.00 72.34 C ATOM 1746 OD1 ASN A 118 0.929 7.866 16.350 1.00 10.42 O ATOM 1747 ND2 ASN A 118 2.825 8.120 15.208 1.00 41.51 N ATOM 0 H ASN A 118 -0.474 4.738 15.099 1.00 62.22 H new ATOM 0 HA ASN A 118 1.495 6.126 13.394 1.00 51.13 H new ATOM 0 HB2 ASN A 118 1.572 5.358 16.322 1.00 54.25 H new ATOM 0 HB3 ASN A 118 3.040 5.618 15.401 1.00 54.25 H new ATOM 0 HD21 ASN A 118 2.803 9.132 15.333 1.00 41.51 H new ATOM 0 HD22 ASN A 118 3.589 7.686 14.689 1.00 41.51 H new ATOM 1754 N ALA A 119 1.094 3.029 14.306 1.00 3.51 N ATOM 1755 CA ALA A 119 1.434 1.664 14.016 1.00 22.01 C ATOM 1756 C ALA A 119 0.162 0.876 13.903 1.00 32.10 C ATOM 1757 O ALA A 119 -0.783 1.091 14.677 1.00 31.11 O ATOM 1758 CB ALA A 119 2.327 1.084 15.102 1.00 32.25 C ATOM 0 H ALA A 119 0.287 3.135 14.921 1.00 3.51 H new ATOM 0 HA ALA A 119 1.988 1.615 13.079 1.00 22.01 H new ATOM 0 HB1 ALA A 119 2.570 0.050 14.859 1.00 32.25 H new ATOM 0 HB2 ALA A 119 3.246 1.667 15.168 1.00 32.25 H new ATOM 0 HB3 ALA A 119 1.806 1.119 16.059 1.00 32.25 H new ATOM 1764 N GLN A 120 0.095 0.022 12.927 1.00 32.15 N ATOM 1765 CA GLN A 120 -1.098 -0.763 12.716 1.00 24.34 C ATOM 1766 C GLN A 120 -0.722 -2.080 12.035 1.00 33.45 C ATOM 1767 O GLN A 120 -0.119 -2.069 10.959 1.00 55.45 O ATOM 1768 CB GLN A 120 -2.078 0.078 11.847 1.00 12.42 C ATOM 1769 CG GLN A 120 -3.566 -0.311 11.916 1.00 32.41 C ATOM 1770 CD GLN A 120 -3.929 -1.607 11.246 1.00 3.44 C ATOM 1771 OE1 GLN A 120 -3.258 -1.931 10.189 1.00 34.34 O flip ATOM 1772 NE2 GLN A 120 -4.844 -2.296 11.665 1.00 43.43 N flip ATOM 0 H GLN A 120 0.848 -0.154 12.261 1.00 32.15 H new ATOM 0 HA GLN A 120 -1.585 -1.009 13.660 1.00 24.34 H new ATOM 0 HB2 GLN A 120 -1.985 1.123 12.143 1.00 12.42 H new ATOM 0 HB3 GLN A 120 -1.756 0.011 10.808 1.00 12.42 H new ATOM 0 HG2 GLN A 120 -3.860 -0.369 12.964 1.00 32.41 H new ATOM 0 HG3 GLN A 120 -4.154 0.488 11.464 1.00 32.41 H new ATOM 0 HE21 GLN A 120 -5.354 -2.013 12.502 1.00 43.43 H new ATOM 0 HE22 GLN A 120 -5.099 -3.155 11.179 1.00 43.43 H new ATOM 1781 N VAL A 121 -1.062 -3.198 12.655 1.00 23.13 N ATOM 1782 CA VAL A 121 -0.809 -4.510 12.064 1.00 4.25 C ATOM 1783 C VAL A 121 -1.921 -4.770 11.076 1.00 61.25 C ATOM 1784 O VAL A 121 -3.096 -4.852 11.450 1.00 40.13 O ATOM 1785 CB VAL A 121 -0.732 -5.642 13.123 1.00 43.41 C ATOM 1786 CG1 VAL A 121 -0.461 -6.988 12.456 1.00 3.25 C ATOM 1787 CG2 VAL A 121 0.358 -5.339 14.138 1.00 71.21 C ATOM 0 H VAL A 121 -1.515 -3.228 13.569 1.00 23.13 H new ATOM 0 HA VAL A 121 0.165 -4.506 11.574 1.00 4.25 H new ATOM 0 HB VAL A 121 -1.692 -5.695 13.636 1.00 43.41 H new ATOM 0 HG11 VAL A 121 -0.411 -7.767 13.216 1.00 3.25 H new ATOM 0 HG12 VAL A 121 -1.265 -7.215 11.756 1.00 3.25 H new ATOM 0 HG13 VAL A 121 0.486 -6.944 11.919 1.00 3.25 H new ATOM 0 HG21 VAL A 121 0.402 -6.141 14.875 1.00 71.21 H new ATOM 0 HG22 VAL A 121 1.318 -5.262 13.628 1.00 71.21 H new ATOM 0 HG23 VAL A 121 0.137 -4.397 14.639 1.00 71.21 H new ATOM 1797 N MET A 122 -1.565 -4.901 9.845 1.00 12.32 N ATOM 1798 CA MET A 122 -2.527 -4.834 8.796 1.00 75.13 C ATOM 1799 C MET A 122 -3.016 -6.175 8.318 1.00 10.14 C ATOM 1800 O MET A 122 -2.255 -7.130 8.169 1.00 52.53 O ATOM 1801 CB MET A 122 -1.993 -3.948 7.680 1.00 32.22 C ATOM 1802 CG MET A 122 -2.988 -3.631 6.594 1.00 61.34 C ATOM 1803 SD MET A 122 -2.538 -2.148 5.683 1.00 21.31 S ATOM 1804 CE MET A 122 -2.782 -0.897 6.946 1.00 44.15 C ATOM 0 H MET A 122 -0.605 -5.057 9.536 1.00 12.32 H new ATOM 0 HA MET A 122 -3.429 -4.376 9.201 1.00 75.13 H new ATOM 0 HB2 MET A 122 -1.641 -3.013 8.115 1.00 32.22 H new ATOM 0 HB3 MET A 122 -1.128 -4.436 7.230 1.00 32.22 H new ATOM 0 HG2 MET A 122 -3.054 -4.474 5.906 1.00 61.34 H new ATOM 0 HG3 MET A 122 -3.976 -3.500 7.034 1.00 61.34 H new ATOM 0 HE1 MET A 122 -2.331 0.041 6.621 1.00 44.15 H new ATOM 0 HE2 MET A 122 -3.849 -0.749 7.110 1.00 44.15 H new ATOM 0 HE3 MET A 122 -2.314 -1.222 7.875 1.00 44.15 H new ATOM 1814 N GLN A 123 -4.301 -6.214 8.108 1.00 21.31 N ATOM 1815 CA GLN A 123 -5.013 -7.357 7.652 1.00 52.20 C ATOM 1816 C GLN A 123 -5.554 -7.044 6.276 1.00 54.44 C ATOM 1817 O GLN A 123 -5.674 -5.871 5.901 1.00 53.21 O ATOM 1818 CB GLN A 123 -6.161 -7.686 8.608 1.00 44.13 C ATOM 1819 CG GLN A 123 -5.711 -8.074 10.010 1.00 45.15 C ATOM 1820 CD GLN A 123 -6.873 -8.325 10.954 1.00 3.13 C ATOM 1821 OE1 GLN A 123 -7.945 -7.722 10.828 1.00 2.24 O ATOM 1822 NE2 GLN A 123 -6.683 -9.201 11.905 1.00 35.11 N ATOM 0 H GLN A 123 -4.904 -5.405 8.260 1.00 21.31 H new ATOM 0 HA GLN A 123 -4.352 -8.223 7.614 1.00 52.20 H new ATOM 0 HB2 GLN A 123 -6.822 -6.822 8.676 1.00 44.13 H new ATOM 0 HB3 GLN A 123 -6.747 -8.503 8.187 1.00 44.13 H new ATOM 0 HG2 GLN A 123 -5.095 -8.971 9.953 1.00 45.15 H new ATOM 0 HG3 GLN A 123 -5.083 -7.282 10.417 1.00 45.15 H new ATOM 0 HE21 GLN A 123 -5.787 -9.683 11.983 1.00 35.11 H new ATOM 0 HE22 GLN A 123 -7.430 -9.403 12.569 1.00 35.11 H new ATOM 1831 N THR A 124 -5.827 -8.061 5.511 1.00 65.45 N ATOM 1832 CA THR A 124 -6.347 -7.879 4.189 1.00 54.35 C ATOM 1833 C THR A 124 -7.727 -7.176 4.269 1.00 32.33 C ATOM 1834 O THR A 124 -8.577 -7.506 5.122 1.00 35.24 O ATOM 1835 CB THR A 124 -6.428 -9.242 3.422 1.00 2.31 C ATOM 1836 OG1 THR A 124 -6.752 -9.039 2.043 1.00 34.44 O ATOM 1837 CG2 THR A 124 -7.448 -10.178 4.040 1.00 21.31 C ATOM 0 H THR A 124 -5.696 -9.035 5.785 1.00 65.45 H new ATOM 0 HA THR A 124 -5.669 -7.242 3.621 1.00 54.35 H new ATOM 0 HB THR A 124 -5.442 -9.701 3.499 1.00 2.31 H new ATOM 0 HG1 THR A 124 -7.589 -9.503 1.832 1.00 34.44 H new ATOM 0 HG21 THR A 124 -7.473 -11.112 3.478 1.00 21.31 H new ATOM 0 HG22 THR A 124 -7.173 -10.384 5.074 1.00 21.31 H new ATOM 0 HG23 THR A 124 -8.433 -9.712 4.013 1.00 21.31 H new ATOM 1845 N GLY A 125 -7.915 -6.186 3.443 1.00 22.25 N ATOM 1846 CA GLY A 125 -9.142 -5.444 3.443 1.00 22.33 C ATOM 1847 C GLY A 125 -9.014 -4.143 4.203 1.00 73.23 C ATOM 1848 O GLY A 125 -9.994 -3.398 4.348 1.00 74.03 O ATOM 0 H GLY A 125 -7.228 -5.873 2.757 1.00 22.25 H new ATOM 0 HA2 GLY A 125 -9.441 -5.236 2.415 1.00 22.33 H new ATOM 0 HA3 GLY A 125 -9.932 -6.049 3.889 1.00 22.33 H new ATOM 1852 N ASP A 126 -7.830 -3.882 4.744 1.00 11.42 N ATOM 1853 CA ASP A 126 -7.561 -2.602 5.387 1.00 34.22 C ATOM 1854 C ASP A 126 -7.201 -1.596 4.336 1.00 51.14 C ATOM 1855 O ASP A 126 -6.543 -1.931 3.341 1.00 53.54 O ATOM 1856 CB ASP A 126 -6.426 -2.657 6.438 1.00 70.43 C ATOM 1857 CG ASP A 126 -6.792 -3.319 7.760 1.00 44.11 C ATOM 1858 OD1 ASP A 126 -7.918 -3.082 8.270 1.00 72.42 O ATOM 1859 OD2 ASP A 126 -5.940 -4.022 8.360 1.00 23.53 O ATOM 0 H ASP A 126 -7.046 -4.535 4.751 1.00 11.42 H new ATOM 0 HA ASP A 126 -8.469 -2.323 5.921 1.00 34.22 H new ATOM 0 HB2 ASP A 126 -5.579 -3.190 6.006 1.00 70.43 H new ATOM 0 HB3 ASP A 126 -6.092 -1.639 6.641 1.00 70.43 H new ATOM 1864 N GLU A 127 -7.645 -0.395 4.516 1.00 11.21 N ATOM 1865 CA GLU A 127 -7.347 0.648 3.598 1.00 64.20 C ATOM 1866 C GLU A 127 -6.466 1.688 4.255 1.00 75.51 C ATOM 1867 O GLU A 127 -6.738 2.151 5.368 1.00 3.52 O ATOM 1868 CB GLU A 127 -8.617 1.250 3.017 1.00 73.33 C ATOM 1869 CG GLU A 127 -9.418 0.268 2.166 1.00 54.14 C ATOM 1870 CD GLU A 127 -10.640 0.896 1.572 1.00 11.12 C ATOM 1871 OE1 GLU A 127 -10.533 1.618 0.566 1.00 3.33 O ATOM 1872 OE2 GLU A 127 -11.733 0.752 2.144 1.00 11.31 O ATOM 0 H GLU A 127 -8.225 -0.112 5.306 1.00 11.21 H new ATOM 0 HA GLU A 127 -6.791 0.229 2.759 1.00 64.20 H new ATOM 0 HB2 GLU A 127 -9.245 1.610 3.832 1.00 73.33 H new ATOM 0 HB3 GLU A 127 -8.355 2.116 2.410 1.00 73.33 H new ATOM 0 HG2 GLU A 127 -8.785 -0.117 1.367 1.00 54.14 H new ATOM 0 HG3 GLU A 127 -9.712 -0.585 2.778 1.00 54.14 H new ATOM 1879 N ILE A 128 -5.441 2.053 3.558 1.00 44.22 N ATOM 1880 CA ILE A 128 -4.401 2.932 4.049 1.00 61.51 C ATOM 1881 C ILE A 128 -4.567 4.256 3.372 1.00 54.14 C ATOM 1882 O ILE A 128 -4.793 4.319 2.163 1.00 74.11 O ATOM 1883 CB ILE A 128 -3.003 2.407 3.639 1.00 15.23 C ATOM 1884 CG1 ILE A 128 -2.944 0.881 3.735 1.00 22.54 C ATOM 1885 CG2 ILE A 128 -1.925 3.039 4.523 1.00 62.21 C ATOM 1886 CD1 ILE A 128 -1.661 0.282 3.201 1.00 3.43 C ATOM 0 H ILE A 128 -5.288 1.744 2.598 1.00 44.22 H new ATOM 0 HA ILE A 128 -4.476 2.995 5.135 1.00 61.51 H new ATOM 0 HB ILE A 128 -2.820 2.688 2.602 1.00 15.23 H new ATOM 0 HG12 ILE A 128 -3.064 0.587 4.778 1.00 22.54 H new ATOM 0 HG13 ILE A 128 -3.786 0.459 3.186 1.00 22.54 H new ATOM 0 HG21 ILE A 128 -0.945 2.664 4.227 1.00 62.21 H new ATOM 0 HG22 ILE A 128 -1.949 4.123 4.407 1.00 62.21 H new ATOM 0 HG23 ILE A 128 -2.112 2.782 5.565 1.00 62.21 H new ATOM 0 HD11 ILE A 128 -1.695 -0.803 3.304 1.00 3.43 H new ATOM 0 HD12 ILE A 128 -1.548 0.543 2.149 1.00 3.43 H new ATOM 0 HD13 ILE A 128 -0.814 0.673 3.765 1.00 3.43 H new ATOM 1898 N GLN A 129 -4.522 5.282 4.125 1.00 23.41 N ATOM 1899 CA GLN A 129 -4.613 6.598 3.614 1.00 61.24 C ATOM 1900 C GLN A 129 -3.353 7.344 3.911 1.00 12.23 C ATOM 1901 O GLN A 129 -2.971 7.523 5.076 1.00 4.03 O ATOM 1902 CB GLN A 129 -5.828 7.298 4.166 1.00 60.01 C ATOM 1903 CG GLN A 129 -7.098 6.636 3.724 1.00 41.42 C ATOM 1904 CD GLN A 129 -8.319 7.246 4.306 1.00 2.12 C ATOM 1905 OE1 GLN A 129 -8.774 6.842 5.367 1.00 33.23 O ATOM 1906 NE2 GLN A 129 -8.869 8.205 3.621 1.00 55.32 N ATOM 0 H GLN A 129 -4.419 5.235 5.139 1.00 23.41 H new ATOM 0 HA GLN A 129 -4.732 6.559 2.531 1.00 61.24 H new ATOM 0 HB2 GLN A 129 -5.781 7.304 5.255 1.00 60.01 H new ATOM 0 HB3 GLN A 129 -5.828 8.338 3.841 1.00 60.01 H new ATOM 0 HG2 GLN A 129 -7.162 6.681 2.637 1.00 41.42 H new ATOM 0 HG3 GLN A 129 -7.063 5.582 3.998 1.00 41.42 H new ATOM 0 HE21 GLN A 129 -8.452 8.507 2.741 1.00 55.32 H new ATOM 0 HE22 GLN A 129 -9.718 8.655 3.964 1.00 55.32 H new ATOM 1915 N ILE A 130 -2.695 7.736 2.863 1.00 2.33 N ATOM 1916 CA ILE A 130 -1.447 8.452 2.954 1.00 61.41 C ATOM 1917 C ILE A 130 -1.719 9.871 2.510 1.00 52.33 C ATOM 1918 O ILE A 130 -1.863 10.124 1.304 1.00 70.13 O ATOM 1919 CB ILE A 130 -0.380 7.798 2.000 1.00 33.03 C ATOM 1920 CG1 ILE A 130 -0.106 6.320 2.376 1.00 52.23 C ATOM 1921 CG2 ILE A 130 0.920 8.600 1.928 1.00 31.41 C ATOM 1922 CD1 ILE A 130 0.436 6.103 3.780 1.00 15.41 C ATOM 0 H ILE A 130 -3.008 7.569 1.907 1.00 2.33 H new ATOM 0 HA ILE A 130 -1.058 8.424 3.972 1.00 61.41 H new ATOM 0 HB ILE A 130 -0.815 7.815 1.001 1.00 33.03 H new ATOM 0 HG12 ILE A 130 -1.033 5.756 2.270 1.00 52.23 H new ATOM 0 HG13 ILE A 130 0.604 5.905 1.661 1.00 52.23 H new ATOM 0 HG21 ILE A 130 1.618 8.102 1.256 1.00 31.41 H new ATOM 0 HG22 ILE A 130 0.709 9.602 1.554 1.00 31.41 H new ATOM 0 HG23 ILE A 130 1.361 8.669 2.923 1.00 31.41 H new ATOM 0 HD11 ILE A 130 0.595 5.038 3.948 1.00 15.41 H new ATOM 0 HD12 ILE A 130 1.382 6.633 3.891 1.00 15.41 H new ATOM 0 HD13 ILE A 130 -0.280 6.482 4.509 1.00 15.41 H new ATOM 1934 N GLY A 131 -1.833 10.784 3.465 1.00 14.01 N ATOM 1935 CA GLY A 131 -2.151 12.172 3.161 1.00 43.14 C ATOM 1936 C GLY A 131 -3.576 12.314 2.630 1.00 14.23 C ATOM 1937 O GLY A 131 -4.484 12.709 3.349 1.00 32.32 O ATOM 0 H GLY A 131 -1.710 10.588 4.458 1.00 14.01 H new ATOM 0 HA2 GLY A 131 -2.034 12.779 4.059 1.00 43.14 H new ATOM 0 HA3 GLY A 131 -1.446 12.555 2.423 1.00 43.14 H new ATOM 1941 N LYS A 132 -3.752 11.977 1.370 1.00 31.11 N ATOM 1942 CA LYS A 132 -5.045 11.988 0.732 1.00 14.30 C ATOM 1943 C LYS A 132 -5.199 10.802 -0.234 1.00 72.31 C ATOM 1944 O LYS A 132 -6.215 10.674 -0.932 1.00 11.03 O ATOM 1945 CB LYS A 132 -5.321 13.335 0.056 1.00 52.04 C ATOM 1946 CG LYS A 132 -4.304 13.783 -0.971 1.00 42.01 C ATOM 1947 CD LYS A 132 -4.631 15.193 -1.434 1.00 63.01 C ATOM 1948 CE LYS A 132 -3.608 15.729 -2.416 1.00 42.13 C ATOM 1949 NZ LYS A 132 -3.619 15.012 -3.699 1.00 24.33 N ATOM 0 H LYS A 132 -2.992 11.685 0.756 1.00 31.11 H new ATOM 0 HA LYS A 132 -5.804 11.865 1.504 1.00 14.30 H new ATOM 0 HB2 LYS A 132 -6.297 13.283 -0.427 1.00 52.04 H new ATOM 0 HB3 LYS A 132 -5.388 14.100 0.829 1.00 52.04 H new ATOM 0 HG2 LYS A 132 -3.302 13.754 -0.542 1.00 42.01 H new ATOM 0 HG3 LYS A 132 -4.307 13.101 -1.821 1.00 42.01 H new ATOM 0 HD2 LYS A 132 -5.617 15.201 -1.899 1.00 63.01 H new ATOM 0 HD3 LYS A 132 -4.682 15.854 -0.569 1.00 63.01 H new ATOM 0 HE2 LYS A 132 -3.802 16.787 -2.595 1.00 42.13 H new ATOM 0 HE3 LYS A 132 -2.614 15.657 -1.974 1.00 42.13 H new ATOM 0 HZ1 LYS A 132 -3.330 15.658 -4.460 1.00 24.33 H new ATOM 0 HZ2 LYS A 132 -2.957 14.211 -3.655 1.00 24.33 H new ATOM 0 HZ3 LYS A 132 -4.578 14.659 -3.891 1.00 24.33 H new ATOM 1963 N PHE A 133 -4.198 9.920 -0.244 1.00 52.43 N ATOM 1964 CA PHE A 133 -4.239 8.704 -1.053 1.00 5.11 C ATOM 1965 C PHE A 133 -5.094 7.676 -0.360 1.00 12.11 C ATOM 1966 O PHE A 133 -5.151 7.648 0.862 1.00 32.00 O ATOM 1967 CB PHE A 133 -2.850 8.068 -1.203 1.00 24.10 C ATOM 1968 CG PHE A 133 -1.875 8.731 -2.119 1.00 1.23 C ATOM 1969 CD1 PHE A 133 -1.109 9.798 -1.698 1.00 22.52 C ATOM 1970 CD2 PHE A 133 -1.686 8.237 -3.397 1.00 44.24 C ATOM 1971 CE1 PHE A 133 -0.175 10.364 -2.535 1.00 54.32 C ATOM 1972 CE2 PHE A 133 -0.762 8.800 -4.239 1.00 32.01 C ATOM 1973 CZ PHE A 133 -0.004 9.864 -3.810 1.00 11.30 C ATOM 0 H PHE A 133 -3.344 10.028 0.304 1.00 52.43 H new ATOM 0 HA PHE A 133 -4.629 8.987 -2.031 1.00 5.11 H new ATOM 0 HB2 PHE A 133 -2.397 8.016 -0.213 1.00 24.10 H new ATOM 0 HB3 PHE A 133 -2.987 7.042 -1.545 1.00 24.10 H new ATOM 0 HD1 PHE A 133 -1.244 10.193 -0.702 1.00 22.52 H new ATOM 0 HD2 PHE A 133 -2.274 7.397 -3.736 1.00 44.24 H new ATOM 0 HE1 PHE A 133 0.423 11.197 -2.195 1.00 54.32 H new ATOM 0 HE2 PHE A 133 -0.630 8.409 -5.237 1.00 32.01 H new ATOM 0 HZ PHE A 133 0.725 10.309 -4.471 1.00 11.30 H new ATOM 1983 N ARG A 134 -5.718 6.825 -1.123 1.00 62.32 N ATOM 1984 CA ARG A 134 -6.483 5.726 -0.575 1.00 43.35 C ATOM 1985 C ARG A 134 -5.929 4.461 -1.206 1.00 21.11 C ATOM 1986 O ARG A 134 -5.959 4.313 -2.431 1.00 54.14 O ATOM 1987 CB ARG A 134 -7.976 5.883 -0.937 1.00 61.43 C ATOM 1988 CG ARG A 134 -8.926 4.836 -0.341 1.00 52.02 C ATOM 1989 CD ARG A 134 -9.099 4.995 1.164 1.00 2.42 C ATOM 1990 NE ARG A 134 -10.071 4.031 1.707 1.00 74.01 N ATOM 1991 CZ ARG A 134 -10.839 4.218 2.806 1.00 74.43 C ATOM 1992 NH1 ARG A 134 -10.767 5.333 3.487 1.00 45.33 N ATOM 1993 NH2 ARG A 134 -11.687 3.272 3.201 1.00 13.54 N ATOM 0 H ARG A 134 -5.715 6.867 -2.142 1.00 62.32 H new ATOM 0 HA ARG A 134 -6.406 5.696 0.512 1.00 43.35 H new ATOM 0 HB2 ARG A 134 -8.306 6.870 -0.613 1.00 61.43 H new ATOM 0 HB3 ARG A 134 -8.071 5.855 -2.022 1.00 61.43 H new ATOM 0 HG2 ARG A 134 -9.899 4.915 -0.826 1.00 52.02 H new ATOM 0 HG3 ARG A 134 -8.543 3.838 -0.556 1.00 52.02 H new ATOM 0 HD2 ARG A 134 -8.137 4.858 1.657 1.00 2.42 H new ATOM 0 HD3 ARG A 134 -9.430 6.009 1.387 1.00 2.42 H new ATOM 0 HE ARG A 134 -10.175 3.145 1.212 1.00 74.01 H new ATOM 0 HH11 ARG A 134 -10.128 6.071 3.191 1.00 45.33 H new ATOM 0 HH12 ARG A 134 -11.350 5.464 4.314 1.00 45.33 H new ATOM 0 HH21 ARG A 134 -11.761 2.401 2.675 1.00 13.54 H new ATOM 0 HH22 ARG A 134 -12.264 3.418 4.030 1.00 13.54 H new ATOM 2007 N LEU A 135 -5.414 3.587 -0.402 1.00 4.14 N ATOM 2008 CA LEU A 135 -4.828 2.348 -0.864 1.00 13.12 C ATOM 2009 C LEU A 135 -5.547 1.208 -0.199 1.00 74.31 C ATOM 2010 O LEU A 135 -5.901 1.313 0.963 1.00 42.24 O ATOM 2011 CB LEU A 135 -3.309 2.245 -0.535 1.00 74.45 C ATOM 2012 CG LEU A 135 -2.361 3.351 -1.060 1.00 2.22 C ATOM 2013 CD1 LEU A 135 -2.479 4.638 -0.259 1.00 22.53 C ATOM 2014 CD2 LEU A 135 -0.925 2.865 -1.067 1.00 60.52 C ATOM 0 H LEU A 135 -5.383 3.706 0.611 1.00 4.14 H new ATOM 0 HA LEU A 135 -4.930 2.312 -1.949 1.00 13.12 H new ATOM 0 HB2 LEU A 135 -3.207 2.209 0.550 1.00 74.45 H new ATOM 0 HB3 LEU A 135 -2.950 1.291 -0.921 1.00 74.45 H new ATOM 0 HG LEU A 135 -2.666 3.575 -2.082 1.00 2.22 H new ATOM 0 HD11 LEU A 135 -1.795 5.383 -0.665 1.00 22.53 H new ATOM 0 HD12 LEU A 135 -3.501 5.012 -0.320 1.00 22.53 H new ATOM 0 HD13 LEU A 135 -2.226 4.443 0.783 1.00 22.53 H new ATOM 0 HD21 LEU A 135 -0.275 3.657 -1.439 1.00 60.52 H new ATOM 0 HD22 LEU A 135 -0.627 2.597 -0.053 1.00 60.52 H new ATOM 0 HD23 LEU A 135 -0.840 1.992 -1.713 1.00 60.52 H new ATOM 2026 N VAL A 136 -5.784 0.157 -0.917 1.00 73.02 N ATOM 2027 CA VAL A 136 -6.455 -0.997 -0.371 1.00 33.34 C ATOM 2028 C VAL A 136 -5.434 -2.115 -0.295 1.00 2.15 C ATOM 2029 O VAL A 136 -4.807 -2.461 -1.305 1.00 50.41 O ATOM 2030 CB VAL A 136 -7.647 -1.449 -1.266 1.00 4.45 C ATOM 2031 CG1 VAL A 136 -8.462 -2.540 -0.582 1.00 50.05 C ATOM 2032 CG2 VAL A 136 -8.537 -0.270 -1.648 1.00 13.41 C ATOM 0 H VAL A 136 -5.521 0.067 -1.898 1.00 73.02 H new ATOM 0 HA VAL A 136 -6.861 -0.750 0.610 1.00 33.34 H new ATOM 0 HB VAL A 136 -7.228 -1.861 -2.184 1.00 4.45 H new ATOM 0 HG11 VAL A 136 -9.288 -2.837 -1.229 1.00 50.05 H new ATOM 0 HG12 VAL A 136 -7.825 -3.403 -0.388 1.00 50.05 H new ATOM 0 HG13 VAL A 136 -8.857 -2.162 0.361 1.00 50.05 H new ATOM 0 HG21 VAL A 136 -9.358 -0.621 -2.272 1.00 13.41 H new ATOM 0 HG22 VAL A 136 -8.939 0.190 -0.745 1.00 13.41 H new ATOM 0 HG23 VAL A 136 -7.951 0.465 -2.200 1.00 13.41 H new ATOM 2042 N PHE A 137 -5.239 -2.635 0.887 1.00 63.14 N ATOM 2043 CA PHE A 137 -4.242 -3.653 1.141 1.00 31.21 C ATOM 2044 C PHE A 137 -4.898 -5.027 1.171 1.00 52.32 C ATOM 2045 O PHE A 137 -5.888 -5.235 1.885 1.00 31.11 O ATOM 2046 CB PHE A 137 -3.583 -3.348 2.491 1.00 33.14 C ATOM 2047 CG PHE A 137 -2.434 -4.238 2.887 1.00 75.33 C ATOM 2048 CD1 PHE A 137 -2.654 -5.447 3.534 1.00 60.04 C ATOM 2049 CD2 PHE A 137 -1.132 -3.841 2.648 1.00 44.34 C ATOM 2050 CE1 PHE A 137 -1.597 -6.235 3.926 1.00 52.44 C ATOM 2051 CE2 PHE A 137 -0.074 -4.629 3.035 1.00 62.33 C ATOM 2052 CZ PHE A 137 -0.305 -5.824 3.674 1.00 53.05 C ATOM 0 H PHE A 137 -5.772 -2.364 1.714 1.00 63.14 H new ATOM 0 HA PHE A 137 -3.491 -3.653 0.351 1.00 31.21 H new ATOM 0 HB2 PHE A 137 -3.228 -2.318 2.474 1.00 33.14 H new ATOM 0 HB3 PHE A 137 -4.347 -3.409 3.266 1.00 33.14 H new ATOM 0 HD1 PHE A 137 -3.665 -5.772 3.731 1.00 60.04 H new ATOM 0 HD2 PHE A 137 -0.943 -2.901 2.151 1.00 44.34 H new ATOM 0 HE1 PHE A 137 -1.778 -7.173 4.430 1.00 52.44 H new ATOM 0 HE2 PHE A 137 0.938 -4.309 2.837 1.00 62.33 H new ATOM 0 HZ PHE A 137 0.527 -6.442 3.979 1.00 53.05 H new ATOM 2062 N LEU A 138 -4.377 -5.946 0.393 1.00 22.53 N ATOM 2063 CA LEU A 138 -4.873 -7.306 0.375 1.00 45.54 C ATOM 2064 C LEU A 138 -3.697 -8.254 0.401 1.00 21.22 C ATOM 2065 O LEU A 138 -2.599 -7.885 0.007 1.00 4.10 O ATOM 2066 CB LEU A 138 -5.718 -7.633 -0.893 1.00 1.50 C ATOM 2067 CG LEU A 138 -6.982 -6.799 -1.186 1.00 25.41 C ATOM 2068 CD1 LEU A 138 -6.639 -5.458 -1.821 1.00 44.44 C ATOM 2069 CD2 LEU A 138 -7.943 -7.580 -2.069 1.00 24.55 C ATOM 0 H LEU A 138 -3.599 -5.775 -0.245 1.00 22.53 H new ATOM 0 HA LEU A 138 -5.517 -7.420 1.247 1.00 45.54 H new ATOM 0 HB2 LEU A 138 -5.060 -7.548 -1.758 1.00 1.50 H new ATOM 0 HB3 LEU A 138 -6.022 -8.678 -0.825 1.00 1.50 H new ATOM 0 HG LEU A 138 -7.469 -6.594 -0.233 1.00 25.41 H new ATOM 0 HD11 LEU A 138 -7.556 -4.901 -2.012 1.00 44.44 H new ATOM 0 HD12 LEU A 138 -6.002 -4.888 -1.145 1.00 44.44 H new ATOM 0 HD13 LEU A 138 -6.113 -5.624 -2.761 1.00 44.44 H new ATOM 0 HD21 LEU A 138 -8.829 -6.976 -2.265 1.00 24.55 H new ATOM 0 HD22 LEU A 138 -7.454 -7.824 -3.012 1.00 24.55 H new ATOM 0 HD23 LEU A 138 -8.236 -8.500 -1.563 1.00 24.55 H new ATOM 2081 N ALA A 139 -3.901 -9.453 0.870 1.00 2.34 N ATOM 2082 CA ALA A 139 -2.859 -10.446 0.765 1.00 23.31 C ATOM 2083 C ALA A 139 -2.960 -11.028 -0.630 1.00 50.32 C ATOM 2084 O ALA A 139 -4.069 -11.195 -1.139 1.00 11.24 O ATOM 2085 CB ALA A 139 -2.974 -11.523 1.838 1.00 35.54 C ATOM 0 H ALA A 139 -4.760 -9.767 1.321 1.00 2.34 H new ATOM 0 HA ALA A 139 -1.882 -9.991 0.928 1.00 23.31 H new ATOM 0 HB1 ALA A 139 -2.167 -12.246 1.716 1.00 35.54 H new ATOM 0 HB2 ALA A 139 -2.903 -11.063 2.824 1.00 35.54 H new ATOM 0 HB3 ALA A 139 -3.934 -12.031 1.743 1.00 35.54 H new ATOM 2091 N GLY A 140 -1.850 -11.318 -1.251 1.00 3.11 N ATOM 2092 CA GLY A 140 -1.897 -11.712 -2.638 1.00 72.21 C ATOM 2093 C GLY A 140 -1.695 -13.188 -2.861 1.00 11.21 C ATOM 2094 O GLY A 140 -0.589 -13.683 -2.669 1.00 42.14 O ATOM 0 H GLY A 140 -0.920 -11.291 -0.833 1.00 3.11 H new ATOM 0 HA2 GLY A 140 -2.860 -11.420 -3.056 1.00 72.21 H new ATOM 0 HA3 GLY A 140 -1.132 -11.164 -3.187 1.00 72.21 H new ATOM 2098 N PRO A 141 -2.754 -13.943 -3.201 1.00 75.00 N ATOM 2099 CA PRO A 141 -2.614 -15.334 -3.582 1.00 72.34 C ATOM 2100 C PRO A 141 -1.992 -15.428 -4.967 1.00 72.23 C ATOM 2101 O PRO A 141 -2.313 -14.612 -5.848 1.00 71.04 O ATOM 2102 CB PRO A 141 -4.050 -15.878 -3.616 1.00 21.50 C ATOM 2103 CG PRO A 141 -4.921 -14.777 -3.095 1.00 0.11 C ATOM 2104 CD PRO A 141 -4.154 -13.500 -3.275 1.00 12.42 C ATOM 0 HA PRO A 141 -1.976 -15.891 -2.896 1.00 72.34 H new ATOM 0 HB2 PRO A 141 -4.338 -16.157 -4.630 1.00 21.50 H new ATOM 0 HB3 PRO A 141 -4.143 -16.773 -3.001 1.00 21.50 H new ATOM 0 HG2 PRO A 141 -5.866 -14.741 -3.638 1.00 0.11 H new ATOM 0 HG3 PRO A 141 -5.163 -14.939 -2.045 1.00 0.11 H new ATOM 0 HD2 PRO A 141 -4.378 -13.026 -4.231 1.00 12.42 H new ATOM 0 HD3 PRO A 141 -4.390 -12.774 -2.497 1.00 12.42 H new ATOM 2112 N ALA A 142 -1.135 -16.405 -5.155 1.00 50.53 N ATOM 2113 CA ALA A 142 -0.465 -16.667 -6.423 1.00 10.44 C ATOM 2114 C ALA A 142 0.446 -17.855 -6.267 1.00 20.11 C ATOM 2115 O ALA A 142 1.660 -17.726 -6.095 1.00 73.11 O ATOM 2116 CB ALA A 142 0.313 -15.467 -6.954 1.00 1.42 C ATOM 0 H ALA A 142 -0.873 -17.059 -4.417 1.00 50.53 H new ATOM 0 HA ALA A 142 -1.239 -16.876 -7.161 1.00 10.44 H new ATOM 0 HB1 ALA A 142 0.787 -15.730 -7.900 1.00 1.42 H new ATOM 0 HB2 ALA A 142 -0.369 -14.631 -7.110 1.00 1.42 H new ATOM 0 HB3 ALA A 142 1.078 -15.181 -6.232 1.00 1.42 H new ATOM 2122 N GLU A 143 -0.159 -18.981 -6.200 1.00 52.45 N ATOM 2123 CA GLU A 143 0.491 -20.201 -6.054 1.00 33.25 C ATOM 2124 C GLU A 143 0.481 -20.941 -7.382 1.00 62.31 C ATOM 2125 O GLU A 143 1.543 -21.025 -8.028 1.00 36.82 O ATOM 2126 CB GLU A 143 -0.141 -21.015 -4.899 1.00 20.15 C ATOM 2127 CG GLU A 143 -1.685 -21.164 -4.882 1.00 62.22 C ATOM 2128 CD GLU A 143 -2.451 -19.869 -4.644 1.00 30.04 C ATOM 2129 OE1 GLU A 143 -2.635 -19.471 -3.475 1.00 61.21 O ATOM 2130 OE2 GLU A 143 -2.894 -19.229 -5.642 1.00 54.12 O ATOM 2131 OXT GLU A 143 -0.612 -21.346 -7.849 1.00 36.82 O ATOM 0 H GLU A 143 -1.174 -19.067 -6.249 1.00 52.45 H new ATOM 0 HA GLU A 143 1.534 -20.042 -5.779 1.00 33.25 H new ATOM 0 HB2 GLU A 143 0.292 -22.015 -4.917 1.00 20.15 H new ATOM 0 HB3 GLU A 143 0.162 -20.554 -3.959 1.00 20.15 H new ATOM 0 HG2 GLU A 143 -2.005 -21.589 -5.833 1.00 62.22 H new ATOM 0 HG3 GLU A 143 -1.958 -21.879 -4.106 1.00 62.22 H new