USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=24 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 89 HIS : no HE2:sc= 0.225 K(o=0.97,f=-3.7!) USER MOD Set 1.2: A 106 SER OG : rot 180:sc= -0.0665 USER MOD Set 1.3: A 110 THR OG1 : rot -40:sc= 0.346 USER MOD Set 1.4: A 118 ASN : amide:sc= 0.467 K(o=0.97,f=0.45) USER MOD Set 2.1: A 65 GLN : amide:sc= 2.24 K(o=3.1,f=-13!) USER MOD Set 2.2: A 68 THR OG1 : rot -54:sc= 0.828 USER MOD Single : A 16 SER OG : rot 23:sc= 0.227 USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 1.31 (180deg=1.13) USER MOD Single : A 26 MET CE :methyl 161:sc= -0.158 (180deg=-0.681) USER MOD Single : A 28 SER OG : rot 120:sc= 0.724 USER MOD Single : A 29 SER OG : rot 90:sc= 0.262 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.103 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0478 X(o=-0.048,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -0.41 K(o=-0.41,f=-1.6) USER MOD Single : A 76 SER OG : rot -85:sc= 0.558 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 65:sc= -0.458 USER MOD Single : A 95 ASN : amide:sc= -0.0331 X(o=-0.033,f=-0.14) USER MOD Single : A 108 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.2!) USER MOD Single : A 111 TYR OH : rot 120:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.512 K(o=0.51,f=-5.3!) USER MOD Single : A 120 GLN : amide:sc= -0.892 K(o=-0.89,f=-5.3!) USER MOD Single : A 122 MET CE :methyl 163:sc= -0.218 (180deg=-1.49) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 124 THR OG1 : rot -80:sc= -0.0863 USER MOD Single : A 129 GLN : amide:sc= 1.17 K(o=1.2,f=-0.49) USER MOD Single : A 132 LYS NZ :NH3+ -106:sc= 1.17 (180deg=-0.205!) USER MOD ----------------------------------------------------------------- ATOM 214 N SER A 16 4.638 18.171 10.963 1.00 3.44 N ATOM 215 CA SER A 16 3.485 18.666 11.664 1.00 42.00 C ATOM 216 C SER A 16 2.268 18.204 10.850 1.00 34.01 C ATOM 217 O SER A 16 2.301 18.251 9.621 1.00 72.15 O ATOM 218 CB SER A 16 3.537 20.195 11.738 1.00 3.34 C ATOM 219 OG SER A 16 4.832 20.650 12.153 1.00 25.54 O ATOM 0 HA SER A 16 3.439 18.293 12.687 1.00 42.00 H new ATOM 0 HB2 SER A 16 3.296 20.617 10.763 1.00 3.34 H new ATOM 0 HB3 SER A 16 2.781 20.554 12.437 1.00 3.34 H new ATOM 0 HG SER A 16 5.500 19.961 11.955 1.00 25.54 H new ATOM 225 N VAL A 17 1.239 17.741 11.504 1.00 24.42 N ATOM 226 CA VAL A 17 0.095 17.158 10.809 1.00 32.52 C ATOM 227 C VAL A 17 -0.894 18.248 10.404 1.00 21.20 C ATOM 228 O VAL A 17 -1.241 19.102 11.217 1.00 20.32 O ATOM 229 CB VAL A 17 -0.634 16.128 11.720 1.00 62.12 C ATOM 230 CG1 VAL A 17 -1.736 15.393 10.962 1.00 51.35 C ATOM 231 CG2 VAL A 17 0.353 15.143 12.336 1.00 74.14 C ATOM 0 H VAL A 17 1.157 17.750 12.521 1.00 24.42 H new ATOM 0 HA VAL A 17 0.467 16.653 9.918 1.00 32.52 H new ATOM 0 HB VAL A 17 -1.105 16.685 12.530 1.00 62.12 H new ATOM 0 HG11 VAL A 17 -2.224 14.682 11.628 1.00 51.35 H new ATOM 0 HG12 VAL A 17 -2.470 16.112 10.599 1.00 51.35 H new ATOM 0 HG13 VAL A 17 -1.302 14.859 10.116 1.00 51.35 H new ATOM 0 HG21 VAL A 17 -0.185 14.436 12.967 1.00 74.14 H new ATOM 0 HG22 VAL A 17 0.870 14.602 11.543 1.00 74.14 H new ATOM 0 HG23 VAL A 17 1.081 15.686 12.939 1.00 74.14 H new ATOM 241 N PHE A 18 -1.314 18.249 9.158 1.00 30.31 N ATOM 242 CA PHE A 18 -2.324 19.195 8.724 1.00 14.23 C ATOM 243 C PHE A 18 -3.696 18.534 8.765 1.00 41.40 C ATOM 244 O PHE A 18 -3.865 17.413 8.316 1.00 2.35 O ATOM 245 CB PHE A 18 -2.013 19.809 7.324 1.00 12.11 C ATOM 246 CG PHE A 18 -1.839 18.827 6.176 1.00 22.52 C ATOM 247 CD1 PHE A 18 -2.935 18.372 5.451 1.00 74.30 C ATOM 248 CD2 PHE A 18 -0.577 18.377 5.817 1.00 24.32 C ATOM 249 CE1 PHE A 18 -2.773 17.491 4.399 1.00 1.32 C ATOM 250 CE2 PHE A 18 -0.411 17.497 4.762 1.00 11.34 C ATOM 251 CZ PHE A 18 -1.510 17.053 4.056 1.00 4.41 C ATOM 0 H PHE A 18 -0.978 17.614 8.433 1.00 30.31 H new ATOM 0 HA PHE A 18 -2.318 20.036 9.418 1.00 14.23 H new ATOM 0 HB2 PHE A 18 -2.819 20.496 7.066 1.00 12.11 H new ATOM 0 HB3 PHE A 18 -1.102 20.402 7.406 1.00 12.11 H new ATOM 0 HD1 PHE A 18 -3.926 18.712 5.714 1.00 74.30 H new ATOM 0 HD2 PHE A 18 0.287 18.718 6.368 1.00 24.32 H new ATOM 0 HE1 PHE A 18 -3.634 17.146 3.846 1.00 1.32 H new ATOM 0 HE2 PHE A 18 0.578 17.158 4.492 1.00 11.34 H new ATOM 0 HZ PHE A 18 -1.382 16.363 3.235 1.00 4.41 H new ATOM 261 N ARG A 19 -4.658 19.199 9.344 1.00 35.32 N ATOM 262 CA ARG A 19 -5.996 18.654 9.427 1.00 14.22 C ATOM 263 C ARG A 19 -6.942 19.502 8.612 1.00 12.22 C ATOM 264 O ARG A 19 -7.460 20.491 9.104 1.00 43.42 O ATOM 265 CB ARG A 19 -6.524 18.549 10.891 1.00 70.21 C ATOM 266 CG ARG A 19 -5.916 17.446 11.781 1.00 74.03 C ATOM 267 CD ARG A 19 -4.437 17.648 12.095 1.00 14.43 C ATOM 268 NE ARG A 19 -4.165 18.907 12.815 1.00 3.43 N ATOM 269 CZ ARG A 19 -3.161 19.096 13.692 1.00 30.14 C ATOM 270 NH1 ARG A 19 -2.413 18.073 14.098 1.00 51.22 N ATOM 271 NH2 ARG A 19 -2.933 20.303 14.184 1.00 12.10 N ATOM 0 H ARG A 19 -4.546 20.120 9.767 1.00 35.32 H new ATOM 0 HA ARG A 19 -5.949 17.640 9.030 1.00 14.22 H new ATOM 0 HB2 ARG A 19 -6.357 19.509 11.380 1.00 70.21 H new ATOM 0 HB3 ARG A 19 -7.602 18.395 10.851 1.00 70.21 H new ATOM 0 HG2 ARG A 19 -6.473 17.400 12.717 1.00 74.03 H new ATOM 0 HG3 ARG A 19 -6.044 16.483 11.287 1.00 74.03 H new ATOM 0 HD2 ARG A 19 -4.081 16.810 12.694 1.00 14.43 H new ATOM 0 HD3 ARG A 19 -3.870 17.639 11.164 1.00 14.43 H new ATOM 0 HE ARG A 19 -4.786 19.696 12.634 1.00 3.43 H new ATOM 0 HH11 ARG A 19 -2.598 17.134 13.744 1.00 51.22 H new ATOM 0 HH12 ARG A 19 -1.655 18.228 14.763 1.00 51.22 H new ATOM 0 HH21 ARG A 19 -3.518 21.089 13.899 1.00 12.10 H new ATOM 0 HH22 ARG A 19 -2.173 20.448 14.848 1.00 12.10 H new ATOM 285 N ALA A 20 -7.130 19.150 7.355 1.00 22.15 N ATOM 286 CA ALA A 20 -8.053 19.886 6.498 1.00 1.10 C ATOM 287 C ALA A 20 -8.611 19.022 5.386 1.00 3.44 C ATOM 288 O ALA A 20 -9.668 18.407 5.531 1.00 1.34 O ATOM 289 CB ALA A 20 -7.416 21.178 5.963 1.00 21.20 C ATOM 0 H ALA A 20 -6.662 18.365 6.902 1.00 22.15 H new ATOM 0 HA ALA A 20 -8.902 20.179 7.116 1.00 1.10 H new ATOM 0 HB1 ALA A 20 -8.132 21.701 5.328 1.00 21.20 H new ATOM 0 HB2 ALA A 20 -7.136 21.819 6.799 1.00 21.20 H new ATOM 0 HB3 ALA A 20 -6.528 20.932 5.381 1.00 21.20 H new ATOM 295 N ASP A 21 -7.860 18.930 4.333 1.00 42.51 N ATOM 296 CA ASP A 21 -8.217 18.163 3.106 1.00 63.14 C ATOM 297 C ASP A 21 -8.546 16.708 3.404 1.00 41.02 C ATOM 298 O ASP A 21 -9.457 16.132 2.828 1.00 74.21 O ATOM 299 CB ASP A 21 -7.058 18.221 2.115 1.00 14.41 C ATOM 300 CG ASP A 21 -7.261 17.362 0.891 1.00 32.13 C ATOM 301 OD1 ASP A 21 -7.854 17.847 -0.096 1.00 43.31 O ATOM 302 OD2 ASP A 21 -6.783 16.205 0.873 1.00 52.23 O ATOM 0 H ASP A 21 -6.950 19.387 4.268 1.00 42.51 H new ATOM 0 HA ASP A 21 -9.110 18.624 2.684 1.00 63.14 H new ATOM 0 HB2 ASP A 21 -6.911 19.255 1.802 1.00 14.41 H new ATOM 0 HB3 ASP A 21 -6.144 17.908 2.620 1.00 14.41 H new ATOM 307 N LEU A 22 -7.837 16.168 4.366 1.00 20.20 N ATOM 308 CA LEU A 22 -7.922 14.759 4.786 1.00 3.30 C ATOM 309 C LEU A 22 -9.334 14.323 5.230 1.00 74.23 C ATOM 310 O LEU A 22 -9.603 13.131 5.381 1.00 53.51 O ATOM 311 CB LEU A 22 -6.948 14.541 5.931 1.00 22.12 C ATOM 312 CG LEU A 22 -5.488 14.901 5.651 1.00 1.00 C ATOM 313 CD1 LEU A 22 -4.656 14.732 6.899 1.00 13.22 C ATOM 314 CD2 LEU A 22 -4.928 14.058 4.522 1.00 74.14 C ATOM 0 H LEU A 22 -7.157 16.702 4.907 1.00 20.20 H new ATOM 0 HA LEU A 22 -7.674 14.149 3.917 1.00 3.30 H new ATOM 0 HB2 LEU A 22 -7.287 15.126 6.786 1.00 22.12 H new ATOM 0 HB3 LEU A 22 -6.992 13.492 6.224 1.00 22.12 H new ATOM 0 HG LEU A 22 -5.449 15.946 5.344 1.00 1.00 H new ATOM 0 HD11 LEU A 22 -3.620 14.992 6.683 1.00 13.22 H new ATOM 0 HD12 LEU A 22 -5.039 15.386 7.683 1.00 13.22 H new ATOM 0 HD13 LEU A 22 -4.708 13.696 7.233 1.00 13.22 H new ATOM 0 HD21 LEU A 22 -3.889 14.334 4.343 1.00 74.14 H new ATOM 0 HD22 LEU A 22 -4.982 13.004 4.794 1.00 74.14 H new ATOM 0 HD23 LEU A 22 -5.510 14.230 3.617 1.00 74.14 H new ATOM 326 N LEU A 23 -10.216 15.276 5.424 1.00 25.02 N ATOM 327 CA LEU A 23 -11.565 15.013 5.885 1.00 42.22 C ATOM 328 C LEU A 23 -12.469 14.539 4.720 1.00 73.12 C ATOM 329 O LEU A 23 -13.524 13.953 4.944 1.00 15.45 O ATOM 330 CB LEU A 23 -12.134 16.299 6.504 1.00 11.11 C ATOM 331 CG LEU A 23 -13.462 16.184 7.247 1.00 31.05 C ATOM 332 CD1 LEU A 23 -13.301 15.336 8.502 1.00 51.12 C ATOM 333 CD2 LEU A 23 -14.002 17.564 7.591 1.00 72.12 C ATOM 0 H LEU A 23 -10.019 16.264 5.266 1.00 25.02 H new ATOM 0 HA LEU A 23 -11.539 14.218 6.630 1.00 42.22 H new ATOM 0 HB2 LEU A 23 -11.393 16.698 7.196 1.00 11.11 H new ATOM 0 HB3 LEU A 23 -12.254 17.033 5.708 1.00 11.11 H new ATOM 0 HG LEU A 23 -14.182 15.690 6.594 1.00 31.05 H new ATOM 0 HD11 LEU A 23 -14.258 15.265 9.019 1.00 51.12 H new ATOM 0 HD12 LEU A 23 -12.963 14.337 8.225 1.00 51.12 H new ATOM 0 HD13 LEU A 23 -12.566 15.798 9.161 1.00 51.12 H new ATOM 0 HD21 LEU A 23 -14.949 17.462 8.120 1.00 72.12 H new ATOM 0 HD22 LEU A 23 -13.286 18.087 8.225 1.00 72.12 H new ATOM 0 HD23 LEU A 23 -14.158 18.133 6.674 1.00 72.12 H new ATOM 345 N LYS A 24 -12.023 14.759 3.488 1.00 2.13 N ATOM 346 CA LYS A 24 -12.829 14.460 2.288 1.00 0.23 C ATOM 347 C LYS A 24 -13.216 12.984 2.136 1.00 33.23 C ATOM 348 O LYS A 24 -14.354 12.675 1.760 1.00 41.34 O ATOM 349 CB LYS A 24 -12.127 14.970 1.038 1.00 62.22 C ATOM 350 CG LYS A 24 -12.011 16.478 1.005 1.00 1.20 C ATOM 351 CD LYS A 24 -11.126 16.937 -0.123 1.00 1.34 C ATOM 352 CE LYS A 24 -11.020 18.447 -0.144 1.00 34.32 C ATOM 353 NZ LYS A 24 -10.059 18.906 -1.156 1.00 13.03 N ATOM 0 H LYS A 24 -11.102 15.146 3.283 1.00 2.13 H new ATOM 0 HA LYS A 24 -13.772 14.990 2.422 1.00 0.23 H new ATOM 0 HB2 LYS A 24 -11.130 14.532 0.982 1.00 62.22 H new ATOM 0 HB3 LYS A 24 -12.673 14.633 0.157 1.00 62.22 H new ATOM 0 HG2 LYS A 24 -13.002 16.918 0.894 1.00 1.20 H new ATOM 0 HG3 LYS A 24 -11.608 16.834 1.953 1.00 1.20 H new ATOM 0 HD2 LYS A 24 -10.134 16.500 -0.013 1.00 1.34 H new ATOM 0 HD3 LYS A 24 -11.527 16.583 -1.073 1.00 1.34 H new ATOM 0 HE2 LYS A 24 -12.000 18.879 -0.349 1.00 34.32 H new ATOM 0 HE3 LYS A 24 -10.713 18.805 0.839 1.00 34.32 H new ATOM 0 HZ1 LYS A 24 -9.935 19.935 -1.075 1.00 13.03 H new ATOM 0 HZ2 LYS A 24 -9.145 18.434 -1.006 1.00 13.03 H new ATOM 0 HZ3 LYS A 24 -10.416 18.674 -2.105 1.00 13.03 H new ATOM 367 N GLU A 25 -12.306 12.078 2.451 1.00 40.30 N ATOM 368 CA GLU A 25 -12.588 10.646 2.310 1.00 15.22 C ATOM 369 C GLU A 25 -13.551 10.118 3.361 1.00 75.01 C ATOM 370 O GLU A 25 -14.113 9.044 3.188 1.00 45.15 O ATOM 371 CB GLU A 25 -11.316 9.794 2.268 1.00 34.45 C ATOM 372 CG GLU A 25 -10.591 9.823 0.938 1.00 33.13 C ATOM 373 CD GLU A 25 -11.434 9.253 -0.189 1.00 40.22 C ATOM 374 OE1 GLU A 25 -11.482 8.003 -0.357 1.00 73.02 O ATOM 375 OE2 GLU A 25 -12.039 10.041 -0.948 1.00 61.01 O ATOM 0 H GLU A 25 -11.374 12.297 2.803 1.00 40.30 H new ATOM 0 HA GLU A 25 -13.083 10.553 1.343 1.00 15.22 H new ATOM 0 HB2 GLU A 25 -10.636 10.138 3.047 1.00 34.45 H new ATOM 0 HB3 GLU A 25 -11.576 8.762 2.505 1.00 34.45 H new ATOM 0 HG2 GLU A 25 -10.315 10.850 0.699 1.00 33.13 H new ATOM 0 HG3 GLU A 25 -9.664 9.255 1.019 1.00 33.13 H new ATOM 382 N MET A 26 -13.784 10.885 4.420 1.00 63.25 N ATOM 383 CA MET A 26 -14.695 10.466 5.499 1.00 43.03 C ATOM 384 C MET A 26 -16.105 10.239 4.948 1.00 71.31 C ATOM 385 O MET A 26 -16.831 9.359 5.396 1.00 0.20 O ATOM 386 CB MET A 26 -14.733 11.517 6.607 1.00 54.22 C ATOM 387 CG MET A 26 -15.627 11.151 7.783 1.00 24.15 C ATOM 388 SD MET A 26 -15.718 12.458 9.019 1.00 44.44 S ATOM 389 CE MET A 26 -16.502 13.773 8.080 1.00 54.21 C ATOM 0 H MET A 26 -13.359 11.801 4.562 1.00 63.25 H new ATOM 0 HA MET A 26 -14.323 9.530 5.916 1.00 43.03 H new ATOM 0 HB2 MET A 26 -13.719 11.680 6.973 1.00 54.22 H new ATOM 0 HB3 MET A 26 -15.075 12.462 6.185 1.00 54.22 H new ATOM 0 HG2 MET A 26 -16.630 10.932 7.417 1.00 24.15 H new ATOM 0 HG3 MET A 26 -15.252 10.240 8.250 1.00 24.15 H new ATOM 0 HE1 MET A 26 -16.927 14.506 8.766 1.00 54.21 H new ATOM 0 HE2 MET A 26 -15.761 14.258 7.445 1.00 54.21 H new ATOM 0 HE3 MET A 26 -17.294 13.354 7.459 1.00 54.21 H new ATOM 399 N GLU A 27 -16.436 10.990 3.920 1.00 53.31 N ATOM 400 CA GLU A 27 -17.725 10.910 3.262 1.00 21.04 C ATOM 401 C GLU A 27 -17.899 9.592 2.506 1.00 24.24 C ATOM 402 O GLU A 27 -19.018 9.195 2.184 1.00 22.33 O ATOM 403 CB GLU A 27 -17.881 12.087 2.320 1.00 22.41 C ATOM 404 CG GLU A 27 -17.971 13.418 3.034 1.00 33.21 C ATOM 405 CD GLU A 27 -19.235 13.534 3.842 1.00 22.31 C ATOM 406 OE1 GLU A 27 -19.247 13.150 5.032 1.00 25.12 O ATOM 407 OE2 GLU A 27 -20.249 14.005 3.292 1.00 45.12 O ATOM 0 H GLU A 27 -15.810 11.683 3.511 1.00 53.31 H new ATOM 0 HA GLU A 27 -18.502 10.945 4.026 1.00 21.04 H new ATOM 0 HB2 GLU A 27 -17.035 12.108 1.633 1.00 22.41 H new ATOM 0 HB3 GLU A 27 -18.778 11.945 1.717 1.00 22.41 H new ATOM 0 HG2 GLU A 27 -17.108 13.538 3.689 1.00 33.21 H new ATOM 0 HG3 GLU A 27 -17.931 14.226 2.303 1.00 33.21 H new ATOM 414 N SER A 28 -16.805 8.898 2.262 1.00 25.51 N ATOM 415 CA SER A 28 -16.844 7.654 1.541 1.00 62.41 C ATOM 416 C SER A 28 -17.320 6.524 2.470 1.00 30.11 C ATOM 417 O SER A 28 -17.775 5.484 2.002 1.00 71.21 O ATOM 418 CB SER A 28 -15.456 7.351 0.923 1.00 2.44 C ATOM 419 OG SER A 28 -15.476 6.201 0.082 1.00 44.23 O ATOM 0 H SER A 28 -15.872 9.184 2.559 1.00 25.51 H new ATOM 0 HA SER A 28 -17.557 7.730 0.720 1.00 62.41 H new ATOM 0 HB2 SER A 28 -15.122 8.214 0.347 1.00 2.44 H new ATOM 0 HB3 SER A 28 -14.730 7.201 1.722 1.00 2.44 H new ATOM 0 HG SER A 28 -15.211 6.455 -0.826 1.00 44.23 H new ATOM 425 N SER A 29 -17.251 6.761 3.791 1.00 2.54 N ATOM 426 CA SER A 29 -17.678 5.782 4.787 1.00 32.32 C ATOM 427 C SER A 29 -19.171 5.511 4.676 1.00 4.43 C ATOM 428 O SER A 29 -19.645 4.413 4.962 1.00 2.52 O ATOM 429 CB SER A 29 -17.364 6.295 6.192 1.00 52.43 C ATOM 430 OG SER A 29 -15.991 6.599 6.336 1.00 73.12 O ATOM 0 H SER A 29 -16.899 7.632 4.189 1.00 2.54 H new ATOM 0 HA SER A 29 -17.136 4.854 4.603 1.00 32.32 H new ATOM 0 HB2 SER A 29 -17.959 7.185 6.397 1.00 52.43 H new ATOM 0 HB3 SER A 29 -17.651 5.544 6.928 1.00 52.43 H new ATOM 0 HG SER A 29 -15.836 7.535 6.090 1.00 73.12 H new ATOM 436 N THR A 30 -19.889 6.504 4.253 1.00 52.21 N ATOM 437 CA THR A 30 -21.292 6.410 4.132 1.00 45.34 C ATOM 438 C THR A 30 -21.653 5.716 2.814 1.00 62.41 C ATOM 439 O THR A 30 -21.382 6.249 1.720 1.00 30.13 O ATOM 440 CB THR A 30 -21.881 7.819 4.153 1.00 14.03 C ATOM 441 OG1 THR A 30 -21.201 8.575 5.173 1.00 65.33 O ATOM 442 CG2 THR A 30 -23.357 7.764 4.490 1.00 3.20 C ATOM 0 H THR A 30 -19.504 7.409 3.981 1.00 52.21 H new ATOM 0 HA THR A 30 -21.697 5.827 4.959 1.00 45.34 H new ATOM 0 HB THR A 30 -21.757 8.282 3.174 1.00 14.03 H new ATOM 0 HG1 THR A 30 -21.564 9.485 5.202 1.00 65.33 H new ATOM 0 HG21 THR A 30 -23.765 8.775 4.502 1.00 3.20 H new ATOM 0 HG22 THR A 30 -23.880 7.170 3.740 1.00 3.20 H new ATOM 0 HG23 THR A 30 -23.489 7.308 5.471 1.00 3.20 H new ATOM 450 N GLY A 31 -22.185 4.524 2.912 1.00 12.43 N ATOM 451 CA GLY A 31 -22.636 3.825 1.749 1.00 21.10 C ATOM 452 C GLY A 31 -21.847 2.579 1.448 1.00 62.01 C ATOM 453 O GLY A 31 -22.273 1.471 1.788 1.00 4.20 O ATOM 0 H GLY A 31 -22.314 4.021 3.790 1.00 12.43 H new ATOM 0 HA2 GLY A 31 -23.684 3.558 1.880 1.00 21.10 H new ATOM 0 HA3 GLY A 31 -22.583 4.494 0.890 1.00 21.10 H new ATOM 457 N THR A 32 -20.701 2.741 0.845 1.00 63.35 N ATOM 458 CA THR A 32 -19.933 1.617 0.397 1.00 64.04 C ATOM 459 C THR A 32 -18.721 1.369 1.291 1.00 34.14 C ATOM 460 O THR A 32 -17.878 2.243 1.478 1.00 71.13 O ATOM 461 CB THR A 32 -19.478 1.849 -1.060 1.00 41.22 C ATOM 462 OG1 THR A 32 -20.631 2.224 -1.846 1.00 24.20 O ATOM 463 CG2 THR A 32 -18.863 0.580 -1.651 1.00 52.52 C ATOM 0 H THR A 32 -20.278 3.649 0.653 1.00 63.35 H new ATOM 0 HA THR A 32 -20.567 0.732 0.449 1.00 64.04 H new ATOM 0 HB THR A 32 -18.724 2.636 -1.074 1.00 41.22 H new ATOM 0 HG1 THR A 32 -20.358 2.377 -2.775 1.00 24.20 H new ATOM 0 HG21 THR A 32 -18.551 0.771 -2.678 1.00 52.52 H new ATOM 0 HG22 THR A 32 -17.998 0.285 -1.058 1.00 52.52 H new ATOM 0 HG23 THR A 32 -19.601 -0.222 -1.639 1.00 52.52 H new ATOM 471 N ALA A 33 -18.665 0.192 1.852 1.00 44.34 N ATOM 472 CA ALA A 33 -17.537 -0.233 2.641 1.00 12.31 C ATOM 473 C ALA A 33 -17.053 -1.577 2.109 1.00 64.04 C ATOM 474 O ALA A 33 -17.881 -2.439 1.778 1.00 71.24 O ATOM 475 CB ALA A 33 -17.929 -0.349 4.112 1.00 2.43 C ATOM 0 H ALA A 33 -19.405 -0.505 1.775 1.00 44.34 H new ATOM 0 HA ALA A 33 -16.736 0.502 2.567 1.00 12.31 H new ATOM 0 HB1 ALA A 33 -17.066 -0.671 4.694 1.00 2.43 H new ATOM 0 HB2 ALA A 33 -18.270 0.620 4.475 1.00 2.43 H new ATOM 0 HB3 ALA A 33 -18.731 -1.079 4.218 1.00 2.43 H new ATOM 481 N PRO A 34 -15.735 -1.774 1.960 1.00 25.30 N ATOM 482 CA PRO A 34 -15.183 -3.049 1.528 1.00 31.10 C ATOM 483 C PRO A 34 -15.428 -4.115 2.589 1.00 31.05 C ATOM 484 O PRO A 34 -15.605 -3.805 3.779 1.00 23.13 O ATOM 485 CB PRO A 34 -13.681 -2.775 1.368 1.00 24.52 C ATOM 486 CG PRO A 34 -13.420 -1.583 2.215 1.00 70.42 C ATOM 487 CD PRO A 34 -14.687 -0.776 2.194 1.00 65.00 C ATOM 0 HA PRO A 34 -15.637 -3.417 0.608 1.00 31.10 H new ATOM 0 HB2 PRO A 34 -13.086 -3.629 1.693 1.00 24.52 H new ATOM 0 HB3 PRO A 34 -13.422 -2.584 0.326 1.00 24.52 H new ATOM 0 HG2 PRO A 34 -13.161 -1.876 3.232 1.00 70.42 H new ATOM 0 HG3 PRO A 34 -12.582 -1.004 1.827 1.00 70.42 H new ATOM 0 HD2 PRO A 34 -14.841 -0.248 3.135 1.00 65.00 H new ATOM 0 HD3 PRO A 34 -14.669 -0.023 1.406 1.00 65.00 H new ATOM 495 N ALA A 35 -15.469 -5.334 2.175 1.00 43.42 N ATOM 496 CA ALA A 35 -15.757 -6.411 3.063 1.00 62.14 C ATOM 497 C ALA A 35 -14.750 -7.514 2.892 1.00 73.01 C ATOM 498 O ALA A 35 -13.932 -7.478 1.959 1.00 32.04 O ATOM 499 CB ALA A 35 -17.170 -6.920 2.827 1.00 23.22 C ATOM 0 H ALA A 35 -15.304 -5.615 1.209 1.00 43.42 H new ATOM 0 HA ALA A 35 -15.691 -6.051 4.090 1.00 62.14 H new ATOM 0 HB1 ALA A 35 -17.379 -7.743 3.511 1.00 23.22 H new ATOM 0 HB2 ALA A 35 -17.881 -6.113 3.002 1.00 23.22 H new ATOM 0 HB3 ALA A 35 -17.264 -7.270 1.799 1.00 23.22 H new ATOM 505 N SER A 36 -14.781 -8.453 3.805 1.00 24.10 N ATOM 506 CA SER A 36 -13.938 -9.617 3.773 1.00 15.13 C ATOM 507 C SER A 36 -14.138 -10.387 2.460 1.00 21.03 C ATOM 508 O SER A 36 -15.267 -10.549 1.981 1.00 41.31 O ATOM 509 CB SER A 36 -14.278 -10.443 4.984 1.00 71.02 C ATOM 510 OG SER A 36 -15.673 -10.337 5.262 1.00 2.22 O ATOM 0 H SER A 36 -15.409 -8.426 4.609 1.00 24.10 H new ATOM 0 HA SER A 36 -12.882 -9.347 3.805 1.00 15.13 H new ATOM 0 HB2 SER A 36 -14.010 -11.485 4.812 1.00 71.02 H new ATOM 0 HB3 SER A 36 -13.699 -10.102 5.843 1.00 71.02 H new ATOM 0 HG SER A 36 -15.892 -10.877 6.050 1.00 2.22 H new ATOM 516 N THR A 37 -13.063 -10.825 1.868 1.00 34.44 N ATOM 517 CA THR A 37 -13.139 -11.403 0.544 1.00 55.12 C ATOM 518 C THR A 37 -12.683 -12.885 0.531 1.00 11.10 C ATOM 519 O THR A 37 -12.663 -13.537 -0.513 1.00 64.01 O ATOM 520 CB THR A 37 -12.267 -10.543 -0.410 1.00 22.42 C ATOM 521 OG1 THR A 37 -12.544 -9.153 -0.133 1.00 11.32 O ATOM 522 CG2 THR A 37 -12.600 -10.807 -1.878 1.00 43.34 C ATOM 0 H THR A 37 -12.127 -10.796 2.272 1.00 34.44 H new ATOM 0 HA THR A 37 -14.177 -11.400 0.210 1.00 55.12 H new ATOM 0 HB THR A 37 -11.220 -10.797 -0.244 1.00 22.42 H new ATOM 0 HG1 THR A 37 -12.003 -8.588 -0.723 1.00 11.32 H new ATOM 0 HG21 THR A 37 -11.968 -10.185 -2.512 1.00 43.34 H new ATOM 0 HG22 THR A 37 -12.423 -11.858 -2.108 1.00 43.34 H new ATOM 0 HG23 THR A 37 -13.647 -10.566 -2.063 1.00 43.34 H new ATOM 530 N GLY A 38 -12.333 -13.415 1.691 1.00 41.54 N ATOM 531 CA GLY A 38 -11.838 -14.774 1.740 1.00 3.23 C ATOM 532 C GLY A 38 -10.357 -14.732 1.602 1.00 63.11 C ATOM 533 O GLY A 38 -9.682 -15.739 1.351 1.00 53.04 O ATOM 0 H GLY A 38 -12.381 -12.936 2.590 1.00 41.54 H new ATOM 0 HA2 GLY A 38 -12.119 -15.248 2.680 1.00 3.23 H new ATOM 0 HA3 GLY A 38 -12.278 -15.368 0.939 1.00 3.23 H new ATOM 537 N ALA A 39 -9.865 -13.544 1.791 1.00 11.42 N ATOM 538 CA ALA A 39 -8.500 -13.213 1.662 1.00 72.44 C ATOM 539 C ALA A 39 -7.818 -13.372 2.998 1.00 62.20 C ATOM 540 O ALA A 39 -6.600 -13.359 3.103 1.00 53.31 O ATOM 541 CB ALA A 39 -8.408 -11.790 1.186 1.00 63.14 C ATOM 0 H ALA A 39 -10.445 -12.747 2.052 1.00 11.42 H new ATOM 0 HA ALA A 39 -8.007 -13.871 0.946 1.00 72.44 H new ATOM 0 HB1 ALA A 39 -7.360 -11.509 1.078 1.00 63.14 H new ATOM 0 HB2 ALA A 39 -8.910 -11.695 0.223 1.00 63.14 H new ATOM 0 HB3 ALA A 39 -8.887 -11.132 1.911 1.00 63.14 H new ATOM 547 N GLU A 40 -8.642 -13.590 4.002 1.00 70.31 N ATOM 548 CA GLU A 40 -8.260 -13.694 5.412 1.00 34.22 C ATOM 549 C GLU A 40 -7.465 -14.962 5.670 1.00 3.20 C ATOM 550 O GLU A 40 -6.889 -15.165 6.730 1.00 44.42 O ATOM 551 CB GLU A 40 -9.510 -13.727 6.279 1.00 65.54 C ATOM 552 CG GLU A 40 -10.488 -12.560 6.111 1.00 61.43 C ATOM 553 CD GLU A 40 -11.306 -12.552 4.818 1.00 74.04 C ATOM 554 OE1 GLU A 40 -12.347 -13.217 4.768 1.00 40.02 O ATOM 555 OE2 GLU A 40 -10.920 -11.877 3.828 1.00 52.34 O ATOM 0 H GLU A 40 -9.645 -13.706 3.860 1.00 70.31 H new ATOM 0 HA GLU A 40 -7.644 -12.829 5.658 1.00 34.22 H new ATOM 0 HB2 GLU A 40 -10.045 -14.654 6.071 1.00 65.54 H new ATOM 0 HB3 GLU A 40 -9.200 -13.765 7.323 1.00 65.54 H new ATOM 0 HG2 GLU A 40 -11.178 -12.566 6.954 1.00 61.43 H new ATOM 0 HG3 GLU A 40 -9.925 -11.629 6.167 1.00 61.43 H new ATOM 562 N ASN A 41 -7.480 -15.790 4.693 1.00 63.30 N ATOM 563 CA ASN A 41 -6.740 -17.044 4.671 1.00 70.32 C ATOM 564 C ASN A 41 -5.290 -16.768 4.322 1.00 61.20 C ATOM 565 O ASN A 41 -4.406 -17.539 4.683 1.00 70.44 O ATOM 566 CB ASN A 41 -7.335 -17.981 3.595 1.00 65.32 C ATOM 567 CG ASN A 41 -6.578 -19.313 3.410 1.00 13.50 C ATOM 568 OD1 ASN A 41 -6.495 -19.825 2.298 1.00 13.53 O ATOM 569 ND2 ASN A 41 -6.083 -19.907 4.477 1.00 23.52 N ATOM 0 H ASN A 41 -8.021 -15.628 3.844 1.00 63.30 H new ATOM 0 HA ASN A 41 -6.808 -17.514 5.652 1.00 70.32 H new ATOM 0 HB2 ASN A 41 -8.370 -18.200 3.856 1.00 65.32 H new ATOM 0 HB3 ASN A 41 -7.352 -17.453 2.642 1.00 65.32 H new ATOM 0 HD21 ASN A 41 -5.619 -20.811 4.388 1.00 23.52 H new ATOM 0 HD22 ASN A 41 -6.164 -19.463 5.392 1.00 23.52 H new ATOM 576 N LEU A 42 -5.051 -15.624 3.660 1.00 31.33 N ATOM 577 CA LEU A 42 -3.730 -15.270 3.145 1.00 4.22 C ATOM 578 C LEU A 42 -3.280 -16.334 2.127 1.00 54.33 C ATOM 579 O LEU A 42 -2.334 -17.087 2.370 1.00 3.44 O ATOM 580 CB LEU A 42 -2.700 -15.101 4.287 1.00 4.04 C ATOM 581 CG LEU A 42 -2.668 -13.766 5.072 1.00 35.05 C ATOM 582 CD1 LEU A 42 -2.323 -12.599 4.166 1.00 51.20 C ATOM 583 CD2 LEU A 42 -3.971 -13.506 5.813 1.00 34.05 C ATOM 0 H LEU A 42 -5.769 -14.925 3.470 1.00 31.33 H new ATOM 0 HA LEU A 42 -3.793 -14.305 2.642 1.00 4.22 H new ATOM 0 HB2 LEU A 42 -2.870 -15.902 5.006 1.00 4.04 H new ATOM 0 HB3 LEU A 42 -1.708 -15.258 3.863 1.00 4.04 H new ATOM 0 HG LEU A 42 -1.881 -13.861 5.820 1.00 35.05 H new ATOM 0 HD11 LEU A 42 -2.309 -11.678 4.749 1.00 51.20 H new ATOM 0 HD12 LEU A 42 -1.341 -12.762 3.721 1.00 51.20 H new ATOM 0 HD13 LEU A 42 -3.070 -12.518 3.377 1.00 51.20 H new ATOM 0 HD21 LEU A 42 -3.902 -12.559 6.349 1.00 34.05 H new ATOM 0 HD22 LEU A 42 -4.793 -13.460 5.099 1.00 34.05 H new ATOM 0 HD23 LEU A 42 -4.153 -14.313 6.523 1.00 34.05 H new ATOM 595 N PRO A 43 -3.981 -16.395 0.963 1.00 43.35 N ATOM 596 CA PRO A 43 -3.815 -17.465 -0.042 1.00 31.04 C ATOM 597 C PRO A 43 -2.387 -17.662 -0.541 1.00 53.24 C ATOM 598 O PRO A 43 -1.846 -18.767 -0.484 1.00 62.42 O ATOM 599 CB PRO A 43 -4.712 -17.013 -1.202 1.00 14.12 C ATOM 600 CG PRO A 43 -4.967 -15.571 -0.959 1.00 61.53 C ATOM 601 CD PRO A 43 -4.994 -15.413 0.517 1.00 73.43 C ATOM 0 HA PRO A 43 -4.074 -18.429 0.395 1.00 31.04 H new ATOM 0 HB2 PRO A 43 -4.222 -17.170 -2.163 1.00 14.12 H new ATOM 0 HB3 PRO A 43 -5.643 -17.579 -1.223 1.00 14.12 H new ATOM 0 HG2 PRO A 43 -4.187 -14.954 -1.405 1.00 61.53 H new ATOM 0 HG3 PRO A 43 -5.912 -15.260 -1.404 1.00 61.53 H new ATOM 0 HD2 PRO A 43 -4.737 -14.398 0.821 1.00 73.43 H new ATOM 0 HD3 PRO A 43 -5.979 -15.630 0.930 1.00 73.43 H new ATOM 609 N ALA A 44 -1.788 -16.601 -1.024 1.00 50.31 N ATOM 610 CA ALA A 44 -0.458 -16.683 -1.604 1.00 31.14 C ATOM 611 C ALA A 44 0.642 -16.578 -0.548 1.00 53.10 C ATOM 612 O ALA A 44 1.791 -16.896 -0.809 1.00 64.02 O ATOM 613 CB ALA A 44 -0.281 -15.608 -2.668 1.00 42.04 C ATOM 0 H ALA A 44 -2.196 -15.666 -1.030 1.00 50.31 H new ATOM 0 HA ALA A 44 -0.364 -17.665 -2.067 1.00 31.14 H new ATOM 0 HB1 ALA A 44 0.719 -15.680 -3.095 1.00 42.04 H new ATOM 0 HB2 ALA A 44 -1.022 -15.749 -3.455 1.00 42.04 H new ATOM 0 HB3 ALA A 44 -0.413 -14.624 -2.217 1.00 42.04 H new ATOM 619 N GLY A 45 0.282 -16.132 0.640 1.00 24.55 N ATOM 620 CA GLY A 45 1.274 -15.918 1.689 1.00 15.12 C ATOM 621 C GLY A 45 1.796 -14.494 1.654 1.00 12.12 C ATOM 622 O GLY A 45 2.466 -14.024 2.581 1.00 0.14 O ATOM 0 H GLY A 45 -0.678 -15.911 0.906 1.00 24.55 H new ATOM 0 HA2 GLY A 45 0.830 -16.124 2.663 1.00 15.12 H new ATOM 0 HA3 GLY A 45 2.101 -16.617 1.562 1.00 15.12 H new ATOM 626 N SER A 46 1.468 -13.825 0.588 1.00 23.11 N ATOM 627 CA SER A 46 1.806 -12.459 0.361 1.00 54.00 C ATOM 628 C SER A 46 0.507 -11.742 0.024 1.00 62.23 C ATOM 629 O SER A 46 -0.493 -12.403 -0.325 1.00 32.34 O ATOM 630 CB SER A 46 2.791 -12.366 -0.810 1.00 3.45 C ATOM 631 OG SER A 46 3.914 -13.214 -0.593 1.00 41.01 O ATOM 0 H SER A 46 0.935 -14.238 -0.177 1.00 23.11 H new ATOM 0 HA SER A 46 2.279 -12.009 1.233 1.00 54.00 H new ATOM 0 HB2 SER A 46 2.290 -12.648 -1.736 1.00 3.45 H new ATOM 0 HB3 SER A 46 3.125 -11.335 -0.929 1.00 3.45 H new ATOM 0 HG SER A 46 4.530 -13.142 -1.352 1.00 41.01 H new ATOM 637 N ALA A 47 0.497 -10.446 0.120 1.00 31.13 N ATOM 638 CA ALA A 47 -0.693 -9.681 -0.134 1.00 2.40 C ATOM 639 C ALA A 47 -0.324 -8.416 -0.860 1.00 11.35 C ATOM 640 O ALA A 47 0.838 -7.983 -0.802 1.00 70.14 O ATOM 641 CB ALA A 47 -1.416 -9.388 1.157 1.00 2.55 C ATOM 0 H ALA A 47 1.311 -9.887 0.376 1.00 31.13 H new ATOM 0 HA ALA A 47 -1.372 -10.256 -0.763 1.00 2.40 H new ATOM 0 HB1 ALA A 47 -2.315 -8.808 0.947 1.00 2.55 H new ATOM 0 HB2 ALA A 47 -1.693 -10.325 1.640 1.00 2.55 H new ATOM 0 HB3 ALA A 47 -0.763 -8.819 1.819 1.00 2.55 H new ATOM 647 N LEU A 48 -1.264 -7.844 -1.555 1.00 33.02 N ATOM 648 CA LEU A 48 -0.998 -6.694 -2.359 1.00 3.25 C ATOM 649 C LEU A 48 -1.852 -5.517 -1.955 1.00 74.31 C ATOM 650 O LEU A 48 -2.970 -5.678 -1.464 1.00 30.45 O ATOM 651 CB LEU A 48 -1.081 -6.996 -3.910 1.00 31.02 C ATOM 652 CG LEU A 48 -2.402 -7.549 -4.572 1.00 34.44 C ATOM 653 CD1 LEU A 48 -2.860 -8.887 -4.005 1.00 52.54 C ATOM 654 CD2 LEU A 48 -3.537 -6.526 -4.582 1.00 74.24 C ATOM 0 H LEU A 48 -2.233 -8.163 -1.578 1.00 33.02 H new ATOM 0 HA LEU A 48 0.038 -6.416 -2.166 1.00 3.25 H new ATOM 0 HB2 LEU A 48 -0.831 -6.070 -4.427 1.00 31.02 H new ATOM 0 HB3 LEU A 48 -0.290 -7.711 -4.136 1.00 31.02 H new ATOM 0 HG LEU A 48 -2.129 -7.737 -5.611 1.00 34.44 H new ATOM 0 HD11 LEU A 48 -3.773 -9.202 -4.509 1.00 52.54 H new ATOM 0 HD12 LEU A 48 -2.082 -9.634 -4.162 1.00 52.54 H new ATOM 0 HD13 LEU A 48 -3.053 -8.783 -2.937 1.00 52.54 H new ATOM 0 HD21 LEU A 48 -4.418 -6.965 -5.050 1.00 74.24 H new ATOM 0 HD22 LEU A 48 -3.775 -6.237 -3.558 1.00 74.24 H new ATOM 0 HD23 LEU A 48 -3.228 -5.645 -5.145 1.00 74.24 H new ATOM 666 N LEU A 49 -1.322 -4.356 -2.130 1.00 53.44 N ATOM 667 CA LEU A 49 -2.056 -3.160 -1.890 1.00 64.25 C ATOM 668 C LEU A 49 -2.310 -2.480 -3.210 1.00 63.31 C ATOM 669 O LEU A 49 -1.415 -2.399 -4.064 1.00 50.03 O ATOM 670 CB LEU A 49 -1.368 -2.242 -0.825 1.00 24.14 C ATOM 671 CG LEU A 49 0.106 -1.807 -1.039 1.00 73.34 C ATOM 672 CD1 LEU A 49 0.233 -0.669 -2.043 1.00 21.43 C ATOM 673 CD2 LEU A 49 0.748 -1.426 0.286 1.00 62.43 C ATOM 0 H LEU A 49 -0.363 -4.208 -2.445 1.00 53.44 H new ATOM 0 HA LEU A 49 -3.020 -3.402 -1.443 1.00 64.25 H new ATOM 0 HB2 LEU A 49 -1.968 -1.336 -0.736 1.00 24.14 H new ATOM 0 HB3 LEU A 49 -1.422 -2.756 0.135 1.00 24.14 H new ATOM 0 HG LEU A 49 0.636 -2.663 -1.456 1.00 73.34 H new ATOM 0 HD11 LEU A 49 1.283 -0.401 -2.158 1.00 21.43 H new ATOM 0 HD12 LEU A 49 -0.168 -0.987 -3.006 1.00 21.43 H new ATOM 0 HD13 LEU A 49 -0.325 0.196 -1.685 1.00 21.43 H new ATOM 0 HD21 LEU A 49 1.781 -1.124 0.116 1.00 62.43 H new ATOM 0 HD22 LEU A 49 0.197 -0.599 0.733 1.00 62.43 H new ATOM 0 HD23 LEU A 49 0.727 -2.282 0.960 1.00 62.43 H new ATOM 685 N VAL A 50 -3.519 -2.085 -3.425 1.00 72.45 N ATOM 686 CA VAL A 50 -3.875 -1.418 -4.641 1.00 25.33 C ATOM 687 C VAL A 50 -4.153 0.043 -4.351 1.00 25.31 C ATOM 688 O VAL A 50 -4.811 0.378 -3.346 1.00 11.43 O ATOM 689 CB VAL A 50 -5.091 -2.108 -5.364 1.00 55.33 C ATOM 690 CG1 VAL A 50 -6.344 -2.134 -4.493 1.00 42.41 C ATOM 691 CG2 VAL A 50 -5.380 -1.457 -6.715 1.00 73.42 C ATOM 0 H VAL A 50 -4.289 -2.212 -2.769 1.00 72.45 H new ATOM 0 HA VAL A 50 -3.035 -1.489 -5.332 1.00 25.33 H new ATOM 0 HB VAL A 50 -4.801 -3.143 -5.542 1.00 55.33 H new ATOM 0 HG11 VAL A 50 -7.155 -2.620 -5.036 1.00 42.41 H new ATOM 0 HG12 VAL A 50 -6.139 -2.687 -3.576 1.00 42.41 H new ATOM 0 HG13 VAL A 50 -6.635 -1.114 -4.243 1.00 42.41 H new ATOM 0 HG21 VAL A 50 -6.225 -1.958 -7.187 1.00 73.42 H new ATOM 0 HG22 VAL A 50 -5.618 -0.404 -6.568 1.00 73.42 H new ATOM 0 HG23 VAL A 50 -4.503 -1.544 -7.356 1.00 73.42 H new ATOM 701 N VAL A 51 -3.615 0.906 -5.167 1.00 34.34 N ATOM 702 CA VAL A 51 -3.847 2.308 -5.004 1.00 53.42 C ATOM 703 C VAL A 51 -5.127 2.629 -5.743 1.00 4.34 C ATOM 704 O VAL A 51 -5.218 2.438 -6.960 1.00 73.50 O ATOM 705 CB VAL A 51 -2.690 3.159 -5.587 1.00 14.10 C ATOM 706 CG1 VAL A 51 -2.829 4.623 -5.181 1.00 11.03 C ATOM 707 CG2 VAL A 51 -1.324 2.608 -5.186 1.00 52.13 C ATOM 0 H VAL A 51 -3.012 0.659 -5.952 1.00 34.34 H new ATOM 0 HA VAL A 51 -3.915 2.545 -3.942 1.00 53.42 H new ATOM 0 HB VAL A 51 -2.759 3.099 -6.673 1.00 14.10 H new ATOM 0 HG11 VAL A 51 -2.005 5.198 -5.603 1.00 11.03 H new ATOM 0 HG12 VAL A 51 -3.774 5.016 -5.555 1.00 11.03 H new ATOM 0 HG13 VAL A 51 -2.808 4.703 -4.094 1.00 11.03 H new ATOM 0 HG21 VAL A 51 -0.540 3.232 -5.614 1.00 52.13 H new ATOM 0 HG22 VAL A 51 -1.236 2.609 -4.100 1.00 52.13 H new ATOM 0 HG23 VAL A 51 -1.220 1.589 -5.557 1.00 52.13 H new ATOM 717 N LYS A 52 -6.105 3.085 -5.019 1.00 34.34 N ATOM 718 CA LYS A 52 -7.394 3.387 -5.589 1.00 24.40 C ATOM 719 C LYS A 52 -7.495 4.836 -5.986 1.00 10.54 C ATOM 720 O LYS A 52 -8.198 5.178 -6.930 1.00 34.33 O ATOM 721 CB LYS A 52 -8.531 2.993 -4.643 1.00 45.13 C ATOM 722 CG LYS A 52 -8.644 1.485 -4.383 1.00 43.20 C ATOM 723 CD LYS A 52 -8.935 0.677 -5.661 1.00 40.45 C ATOM 724 CE LYS A 52 -10.274 1.061 -6.294 1.00 51.01 C ATOM 725 NZ LYS A 52 -10.562 0.284 -7.515 1.00 72.42 N ATOM 0 H LYS A 52 -6.037 3.260 -4.016 1.00 34.34 H new ATOM 0 HA LYS A 52 -7.496 2.789 -6.494 1.00 24.40 H new ATOM 0 HB2 LYS A 52 -8.389 3.504 -3.691 1.00 45.13 H new ATOM 0 HB3 LYS A 52 -9.473 3.350 -5.059 1.00 45.13 H new ATOM 0 HG2 LYS A 52 -7.716 1.128 -3.937 1.00 43.20 H new ATOM 0 HG3 LYS A 52 -9.437 1.305 -3.657 1.00 43.20 H new ATOM 0 HD2 LYS A 52 -8.134 0.840 -6.382 1.00 40.45 H new ATOM 0 HD3 LYS A 52 -8.939 -0.387 -5.423 1.00 40.45 H new ATOM 0 HE2 LYS A 52 -11.073 0.904 -5.570 1.00 51.01 H new ATOM 0 HE3 LYS A 52 -10.267 2.124 -6.536 1.00 51.01 H new ATOM 0 HZ1 LYS A 52 -11.479 0.580 -7.907 1.00 72.42 H new ATOM 0 HZ2 LYS A 52 -9.814 0.453 -8.218 1.00 72.42 H new ATOM 0 HZ3 LYS A 52 -10.596 -0.729 -7.282 1.00 72.42 H new ATOM 739 N ARG A 53 -6.806 5.694 -5.270 1.00 30.54 N ATOM 740 CA ARG A 53 -6.846 7.113 -5.577 1.00 73.13 C ATOM 741 C ARG A 53 -5.488 7.738 -5.316 1.00 24.21 C ATOM 742 O ARG A 53 -4.798 7.363 -4.358 1.00 52.34 O ATOM 743 CB ARG A 53 -7.948 7.826 -4.773 1.00 60.15 C ATOM 744 CG ARG A 53 -8.187 9.307 -5.139 1.00 41.33 C ATOM 745 CD ARG A 53 -8.790 9.521 -6.557 1.00 5.23 C ATOM 746 NE ARG A 53 -7.898 9.128 -7.677 1.00 73.43 N ATOM 747 CZ ARG A 53 -7.098 9.970 -8.370 1.00 50.14 C ATOM 748 NH1 ARG A 53 -7.041 11.263 -8.054 1.00 5.31 N ATOM 749 NH2 ARG A 53 -6.380 9.508 -9.383 1.00 54.22 N ATOM 0 H ARG A 53 -6.215 5.442 -4.478 1.00 30.54 H new ATOM 0 HA ARG A 53 -7.087 7.232 -6.633 1.00 73.13 H new ATOM 0 HB2 ARG A 53 -8.882 7.281 -4.909 1.00 60.15 H new ATOM 0 HB3 ARG A 53 -7.696 7.768 -3.714 1.00 60.15 H new ATOM 0 HG2 ARG A 53 -8.856 9.749 -4.401 1.00 41.33 H new ATOM 0 HG3 ARG A 53 -7.241 9.844 -5.073 1.00 41.33 H new ATOM 0 HD2 ARG A 53 -9.717 8.952 -6.632 1.00 5.23 H new ATOM 0 HD3 ARG A 53 -9.051 10.573 -6.671 1.00 5.23 H new ATOM 0 HE ARG A 53 -7.888 8.144 -7.945 1.00 73.43 H new ATOM 0 HH11 ARG A 53 -7.603 11.625 -7.284 1.00 5.31 H new ATOM 0 HH12 ARG A 53 -6.435 11.891 -8.582 1.00 5.31 H new ATOM 0 HH21 ARG A 53 -6.432 8.522 -9.637 1.00 54.22 H new ATOM 0 HH22 ARG A 53 -5.775 10.139 -9.909 1.00 54.22 H new ATOM 763 N GLY A 54 -5.107 8.648 -6.185 1.00 53.31 N ATOM 764 CA GLY A 54 -3.848 9.330 -6.112 1.00 60.12 C ATOM 765 C GLY A 54 -3.157 9.231 -7.455 1.00 35.51 C ATOM 766 O GLY A 54 -3.613 8.484 -8.293 1.00 63.32 O ATOM 0 H GLY A 54 -5.682 8.936 -6.977 1.00 53.31 H new ATOM 0 HA2 GLY A 54 -4.001 10.375 -5.843 1.00 60.12 H new ATOM 0 HA3 GLY A 54 -3.225 8.889 -5.334 1.00 60.12 H new ATOM 770 N PRO A 55 -2.083 9.984 -7.714 1.00 14.22 N ATOM 771 CA PRO A 55 -1.333 9.887 -8.986 1.00 33.30 C ATOM 772 C PRO A 55 -0.844 8.455 -9.304 1.00 40.34 C ATOM 773 O PRO A 55 -0.714 8.088 -10.468 1.00 53.12 O ATOM 774 CB PRO A 55 -0.156 10.827 -8.760 1.00 54.50 C ATOM 775 CG PRO A 55 -0.702 11.846 -7.833 1.00 25.41 C ATOM 776 CD PRO A 55 -1.578 11.085 -6.881 1.00 22.15 C ATOM 0 HA PRO A 55 -1.955 10.147 -9.843 1.00 33.30 H new ATOM 0 HB2 PRO A 55 0.697 10.305 -8.326 1.00 54.50 H new ATOM 0 HB3 PRO A 55 0.185 11.275 -9.693 1.00 54.50 H new ATOM 0 HG2 PRO A 55 0.097 12.365 -7.303 1.00 25.41 H new ATOM 0 HG3 PRO A 55 -1.271 12.603 -8.372 1.00 25.41 H new ATOM 0 HD2 PRO A 55 -1.018 10.718 -6.021 1.00 22.15 H new ATOM 0 HD3 PRO A 55 -2.388 11.703 -6.494 1.00 22.15 H new ATOM 784 N ASN A 56 -0.577 7.648 -8.276 1.00 12.14 N ATOM 785 CA ASN A 56 -0.186 6.238 -8.499 1.00 22.23 C ATOM 786 C ASN A 56 -1.389 5.287 -8.495 1.00 71.22 C ATOM 787 O ASN A 56 -1.219 4.068 -8.422 1.00 51.11 O ATOM 788 CB ASN A 56 0.862 5.761 -7.478 1.00 63.33 C ATOM 789 CG ASN A 56 2.276 6.195 -7.815 1.00 3.23 C ATOM 790 OD1 ASN A 56 3.002 5.489 -8.520 1.00 64.42 O ATOM 791 ND2 ASN A 56 2.694 7.328 -7.310 1.00 24.35 N ATOM 0 H ASN A 56 -0.620 7.930 -7.297 1.00 12.14 H new ATOM 0 HA ASN A 56 0.261 6.211 -9.493 1.00 22.23 H new ATOM 0 HB2 ASN A 56 0.598 6.144 -6.492 1.00 63.33 H new ATOM 0 HB3 ASN A 56 0.829 4.673 -7.417 1.00 63.33 H new ATOM 0 HD21 ASN A 56 3.644 7.649 -7.496 1.00 24.35 H new ATOM 0 HD22 ASN A 56 2.070 7.889 -6.731 1.00 24.35 H new ATOM 798 N ALA A 57 -2.602 5.833 -8.598 1.00 11.00 N ATOM 799 CA ALA A 57 -3.812 5.016 -8.592 1.00 31.14 C ATOM 800 C ALA A 57 -3.873 4.111 -9.789 1.00 54.52 C ATOM 801 O ALA A 57 -3.449 4.477 -10.890 1.00 44.41 O ATOM 802 CB ALA A 57 -5.058 5.862 -8.530 1.00 54.25 C ATOM 0 H ALA A 57 -2.770 6.835 -8.686 1.00 11.00 H new ATOM 0 HA ALA A 57 -3.766 4.402 -7.692 1.00 31.14 H new ATOM 0 HB1 ALA A 57 -5.936 5.216 -8.527 1.00 54.25 H new ATOM 0 HB2 ALA A 57 -5.046 6.462 -7.620 1.00 54.25 H new ATOM 0 HB3 ALA A 57 -5.094 6.520 -9.398 1.00 54.25 H new ATOM 808 N GLY A 58 -4.377 2.932 -9.572 1.00 64.13 N ATOM 809 CA GLY A 58 -4.497 1.974 -10.618 1.00 21.45 C ATOM 810 C GLY A 58 -3.424 0.929 -10.524 1.00 31.42 C ATOM 811 O GLY A 58 -3.583 -0.176 -11.028 1.00 72.41 O ATOM 0 H GLY A 58 -4.715 2.613 -8.664 1.00 64.13 H new ATOM 0 HA2 GLY A 58 -5.477 1.498 -10.568 1.00 21.45 H new ATOM 0 HA3 GLY A 58 -4.435 2.476 -11.583 1.00 21.45 H new ATOM 815 N ALA A 59 -2.334 1.265 -9.878 1.00 22.01 N ATOM 816 CA ALA A 59 -1.236 0.340 -9.719 1.00 25.32 C ATOM 817 C ALA A 59 -1.399 -0.463 -8.439 1.00 32.12 C ATOM 818 O ALA A 59 -1.995 0.017 -7.458 1.00 3.23 O ATOM 819 CB ALA A 59 0.093 1.085 -9.720 1.00 32.25 C ATOM 0 H ALA A 59 -2.182 2.179 -9.451 1.00 22.01 H new ATOM 0 HA ALA A 59 -1.242 -0.352 -10.561 1.00 25.32 H new ATOM 0 HB1 ALA A 59 0.909 0.373 -9.599 1.00 32.25 H new ATOM 0 HB2 ALA A 59 0.212 1.616 -10.664 1.00 32.25 H new ATOM 0 HB3 ALA A 59 0.110 1.800 -8.897 1.00 32.25 H new ATOM 825 N ARG A 60 -0.908 -1.681 -8.450 1.00 32.25 N ATOM 826 CA ARG A 60 -0.938 -2.509 -7.277 1.00 44.05 C ATOM 827 C ARG A 60 0.467 -2.967 -6.937 1.00 51.12 C ATOM 828 O ARG A 60 1.271 -3.253 -7.835 1.00 32.45 O ATOM 829 CB ARG A 60 -1.972 -3.690 -7.402 1.00 72.22 C ATOM 830 CG ARG A 60 -1.787 -4.701 -8.566 1.00 62.22 C ATOM 831 CD ARG A 60 -0.600 -5.644 -8.351 1.00 13.21 C ATOM 832 NE ARG A 60 -0.443 -6.624 -9.428 1.00 63.10 N ATOM 833 CZ ARG A 60 0.736 -7.062 -9.904 1.00 63.41 C ATOM 834 NH1 ARG A 60 1.885 -6.539 -9.464 1.00 5.32 N ATOM 835 NH2 ARG A 60 0.760 -8.005 -10.827 1.00 20.34 N ATOM 0 H ARG A 60 -0.481 -2.118 -9.267 1.00 32.25 H new ATOM 0 HA ARG A 60 -1.301 -1.915 -6.438 1.00 44.05 H new ATOM 0 HB2 ARG A 60 -1.954 -4.250 -6.467 1.00 72.22 H new ATOM 0 HB3 ARG A 60 -2.967 -3.254 -7.493 1.00 72.22 H new ATOM 0 HG2 ARG A 60 -2.697 -5.290 -8.677 1.00 62.22 H new ATOM 0 HG3 ARG A 60 -1.646 -4.153 -9.498 1.00 62.22 H new ATOM 0 HD2 ARG A 60 0.314 -5.055 -8.267 1.00 13.21 H new ATOM 0 HD3 ARG A 60 -0.728 -6.170 -7.405 1.00 13.21 H new ATOM 0 HE ARG A 60 -1.292 -7.003 -9.849 1.00 63.10 H new ATOM 0 HH11 ARG A 60 1.873 -5.800 -8.761 1.00 5.32 H new ATOM 0 HH12 ARG A 60 2.774 -6.879 -9.832 1.00 5.32 H new ATOM 0 HH21 ARG A 60 -0.114 -8.399 -11.177 1.00 20.34 H new ATOM 0 HH22 ARG A 60 1.652 -8.340 -11.191 1.00 20.34 H new ATOM 849 N PHE A 61 0.778 -3.010 -5.680 1.00 52.34 N ATOM 850 CA PHE A 61 2.091 -3.419 -5.238 1.00 33.12 C ATOM 851 C PHE A 61 1.960 -4.645 -4.370 1.00 23.23 C ATOM 852 O PHE A 61 1.189 -4.645 -3.409 1.00 70.11 O ATOM 853 CB PHE A 61 2.791 -2.285 -4.468 1.00 31.41 C ATOM 854 CG PHE A 61 3.003 -1.023 -5.275 1.00 64.12 C ATOM 855 CD1 PHE A 61 4.125 -0.873 -6.074 1.00 61.44 C ATOM 856 CD2 PHE A 61 2.078 0.014 -5.228 1.00 43.45 C ATOM 857 CE1 PHE A 61 4.320 0.281 -6.810 1.00 5.05 C ATOM 858 CE2 PHE A 61 2.268 1.167 -5.960 1.00 33.24 C ATOM 859 CZ PHE A 61 3.390 1.302 -6.753 1.00 23.42 C ATOM 0 H PHE A 61 0.137 -2.765 -4.926 1.00 52.34 H new ATOM 0 HA PHE A 61 2.703 -3.653 -6.109 1.00 33.12 H new ATOM 0 HB2 PHE A 61 2.200 -2.043 -3.585 1.00 31.41 H new ATOM 0 HB3 PHE A 61 3.758 -2.644 -4.116 1.00 31.41 H new ATOM 0 HD1 PHE A 61 4.856 -1.667 -6.122 1.00 61.44 H new ATOM 0 HD2 PHE A 61 1.198 -0.085 -4.609 1.00 43.45 H new ATOM 0 HE1 PHE A 61 5.199 0.385 -7.429 1.00 5.05 H new ATOM 0 HE2 PHE A 61 1.540 1.963 -5.913 1.00 33.24 H new ATOM 0 HZ PHE A 61 3.541 2.204 -7.328 1.00 23.42 H new ATOM 869 N LEU A 62 2.672 -5.684 -4.719 1.00 21.11 N ATOM 870 CA LEU A 62 2.635 -6.925 -3.985 1.00 31.10 C ATOM 871 C LEU A 62 3.761 -6.900 -2.978 1.00 2.22 C ATOM 872 O LEU A 62 4.867 -6.440 -3.289 1.00 62.55 O ATOM 873 CB LEU A 62 2.784 -8.114 -4.960 1.00 14.33 C ATOM 874 CG LEU A 62 2.740 -9.536 -4.364 1.00 74.00 C ATOM 875 CD1 LEU A 62 1.411 -9.813 -3.686 1.00 2.35 C ATOM 876 CD2 LEU A 62 2.998 -10.568 -5.448 1.00 33.02 C ATOM 0 H LEU A 62 3.298 -5.695 -5.524 1.00 21.11 H new ATOM 0 HA LEU A 62 1.684 -7.043 -3.466 1.00 31.10 H new ATOM 0 HB2 LEU A 62 1.993 -8.038 -5.706 1.00 14.33 H new ATOM 0 HB3 LEU A 62 3.731 -8.000 -5.487 1.00 14.33 H new ATOM 0 HG LEU A 62 3.523 -9.605 -3.609 1.00 74.00 H new ATOM 0 HD11 LEU A 62 1.415 -10.823 -3.277 1.00 2.35 H new ATOM 0 HD12 LEU A 62 1.258 -9.096 -2.880 1.00 2.35 H new ATOM 0 HD13 LEU A 62 0.605 -9.719 -4.413 1.00 2.35 H new ATOM 0 HD21 LEU A 62 2.964 -11.567 -5.014 1.00 33.02 H new ATOM 0 HD22 LEU A 62 2.235 -10.482 -6.221 1.00 33.02 H new ATOM 0 HD23 LEU A 62 3.981 -10.396 -5.887 1.00 33.02 H new ATOM 888 N LEU A 63 3.488 -7.316 -1.778 1.00 63.01 N ATOM 889 CA LEU A 63 4.505 -7.309 -0.771 1.00 24.12 C ATOM 890 C LEU A 63 5.173 -8.668 -0.696 1.00 40.14 C ATOM 891 O LEU A 63 4.594 -9.645 -0.210 1.00 12.15 O ATOM 892 CB LEU A 63 3.932 -6.874 0.581 1.00 24.44 C ATOM 893 CG LEU A 63 3.274 -5.476 0.610 1.00 11.44 C ATOM 894 CD1 LEU A 63 2.755 -5.153 1.996 1.00 71.02 C ATOM 895 CD2 LEU A 63 4.250 -4.398 0.146 1.00 11.33 C ATOM 0 H LEU A 63 2.578 -7.662 -1.474 1.00 63.01 H new ATOM 0 HA LEU A 63 5.267 -6.579 -1.042 1.00 24.12 H new ATOM 0 HB2 LEU A 63 3.192 -7.610 0.896 1.00 24.44 H new ATOM 0 HB3 LEU A 63 4.734 -6.893 1.318 1.00 24.44 H new ATOM 0 HG LEU A 63 2.431 -5.493 -0.081 1.00 11.44 H new ATOM 0 HD11 LEU A 63 2.296 -4.164 1.991 1.00 71.02 H new ATOM 0 HD12 LEU A 63 2.013 -5.896 2.289 1.00 71.02 H new ATOM 0 HD13 LEU A 63 3.582 -5.166 2.706 1.00 71.02 H new ATOM 0 HD21 LEU A 63 3.759 -3.425 0.177 1.00 11.33 H new ATOM 0 HD22 LEU A 63 5.119 -4.387 0.803 1.00 11.33 H new ATOM 0 HD23 LEU A 63 4.569 -4.611 -0.874 1.00 11.33 H new ATOM 907 N ASP A 64 6.368 -8.717 -1.233 1.00 21.22 N ATOM 908 CA ASP A 64 7.204 -9.917 -1.260 1.00 73.22 C ATOM 909 C ASP A 64 8.443 -9.631 -0.450 1.00 55.44 C ATOM 910 O ASP A 64 9.231 -10.522 -0.129 1.00 54.42 O ATOM 911 CB ASP A 64 7.677 -10.238 -2.694 1.00 72.32 C ATOM 912 CG ASP A 64 6.577 -10.414 -3.708 1.00 53.53 C ATOM 913 OD1 ASP A 64 6.189 -9.415 -4.346 1.00 12.20 O ATOM 914 OD2 ASP A 64 6.128 -11.566 -3.933 1.00 34.21 O ATOM 0 H ASP A 64 6.807 -7.910 -1.677 1.00 21.22 H new ATOM 0 HA ASP A 64 6.623 -10.753 -0.871 1.00 73.22 H new ATOM 0 HB2 ASP A 64 8.335 -9.436 -3.030 1.00 72.32 H new ATOM 0 HB3 ASP A 64 8.274 -11.150 -2.667 1.00 72.32 H new ATOM 919 N GLN A 65 8.592 -8.386 -0.098 1.00 31.52 N ATOM 920 CA GLN A 65 9.758 -7.892 0.556 1.00 34.41 C ATOM 921 C GLN A 65 9.448 -7.611 2.008 1.00 62.15 C ATOM 922 O GLN A 65 8.378 -7.127 2.322 1.00 51.51 O ATOM 923 CB GLN A 65 10.312 -6.605 -0.147 1.00 50.53 C ATOM 924 CG GLN A 65 9.401 -5.338 -0.161 1.00 22.52 C ATOM 925 CD GLN A 65 8.234 -5.349 -1.172 1.00 32.23 C ATOM 926 OE1 GLN A 65 7.687 -6.367 -1.516 1.00 74.01 O ATOM 927 NE2 GLN A 65 7.866 -4.202 -1.659 1.00 5.24 N ATOM 0 H GLN A 65 7.883 -7.672 -0.265 1.00 31.52 H new ATOM 0 HA GLN A 65 10.533 -8.656 0.494 1.00 34.41 H new ATOM 0 HB2 GLN A 65 11.252 -6.337 0.336 1.00 50.53 H new ATOM 0 HB3 GLN A 65 10.546 -6.861 -1.180 1.00 50.53 H new ATOM 0 HG2 GLN A 65 8.987 -5.202 0.838 1.00 22.52 H new ATOM 0 HG3 GLN A 65 10.026 -4.469 -0.368 1.00 22.52 H new ATOM 0 HE21 GLN A 65 8.336 -3.347 -1.361 1.00 5.24 H new ATOM 0 HE22 GLN A 65 7.107 -4.157 -2.339 1.00 5.24 H new ATOM 936 N PRO A 66 10.384 -7.942 2.912 1.00 21.53 N ATOM 937 CA PRO A 66 10.213 -7.759 4.359 1.00 43.44 C ATOM 938 C PRO A 66 10.077 -6.293 4.796 1.00 41.41 C ATOM 939 O PRO A 66 9.703 -6.012 5.941 1.00 11.44 O ATOM 940 CB PRO A 66 11.497 -8.356 4.953 1.00 65.24 C ATOM 941 CG PRO A 66 12.473 -8.328 3.839 1.00 73.13 C ATOM 942 CD PRO A 66 11.678 -8.574 2.604 1.00 25.00 C ATOM 0 HA PRO A 66 9.289 -8.231 4.695 1.00 43.44 H new ATOM 0 HB2 PRO A 66 11.849 -7.772 5.803 1.00 65.24 H new ATOM 0 HB3 PRO A 66 11.333 -9.372 5.311 1.00 65.24 H new ATOM 0 HG2 PRO A 66 12.985 -7.367 3.791 1.00 73.13 H new ATOM 0 HG3 PRO A 66 13.240 -9.092 3.970 1.00 73.13 H new ATOM 0 HD2 PRO A 66 12.147 -8.128 1.727 1.00 25.00 H new ATOM 0 HD3 PRO A 66 11.569 -9.639 2.400 1.00 25.00 H new ATOM 950 N THR A 67 10.409 -5.352 3.936 1.00 1.14 N ATOM 951 CA THR A 67 10.318 -3.963 4.317 1.00 4.32 C ATOM 952 C THR A 67 9.966 -3.061 3.125 1.00 74.03 C ATOM 953 O THR A 67 10.597 -3.122 2.072 1.00 43.42 O ATOM 954 CB THR A 67 11.645 -3.474 4.970 1.00 23.44 C ATOM 955 OG1 THR A 67 12.037 -4.387 6.015 1.00 54.15 O ATOM 956 CG2 THR A 67 11.457 -2.095 5.586 1.00 54.53 C ATOM 0 H THR A 67 10.738 -5.521 2.986 1.00 1.14 H new ATOM 0 HA THR A 67 9.512 -3.891 5.047 1.00 4.32 H new ATOM 0 HB THR A 67 12.411 -3.429 4.196 1.00 23.44 H new ATOM 0 HG1 THR A 67 12.873 -4.078 6.423 1.00 54.15 H new ATOM 0 HG21 THR A 67 12.393 -1.768 6.038 1.00 54.53 H new ATOM 0 HG22 THR A 67 11.161 -1.388 4.811 1.00 54.53 H new ATOM 0 HG23 THR A 67 10.681 -2.141 6.351 1.00 54.53 H new ATOM 964 N THR A 68 8.953 -2.271 3.301 1.00 21.20 N ATOM 965 CA THR A 68 8.546 -1.284 2.359 1.00 21.14 C ATOM 966 C THR A 68 8.517 0.074 3.067 1.00 24.24 C ATOM 967 O THR A 68 7.736 0.295 3.993 1.00 54.22 O ATOM 968 CB THR A 68 7.156 -1.653 1.781 1.00 73.24 C ATOM 969 OG1 THR A 68 7.284 -2.841 1.014 1.00 32.31 O ATOM 970 CG2 THR A 68 6.571 -0.550 0.910 1.00 50.44 C ATOM 0 H THR A 68 8.368 -2.299 4.136 1.00 21.20 H new ATOM 0 HA THR A 68 9.246 -1.234 1.525 1.00 21.14 H new ATOM 0 HB THR A 68 6.473 -1.796 2.619 1.00 73.24 H new ATOM 0 HG1 THR A 68 7.986 -2.722 0.340 1.00 32.31 H new ATOM 0 HG21 THR A 68 5.598 -0.863 0.532 1.00 50.44 H new ATOM 0 HG22 THR A 68 6.456 0.358 1.501 1.00 50.44 H new ATOM 0 HG23 THR A 68 7.240 -0.355 0.072 1.00 50.44 H new ATOM 978 N THR A 69 9.392 0.949 2.664 1.00 44.32 N ATOM 979 CA THR A 69 9.494 2.245 3.272 1.00 31.03 C ATOM 980 C THR A 69 8.557 3.225 2.543 1.00 64.23 C ATOM 981 O THR A 69 8.519 3.242 1.299 1.00 33.41 O ATOM 982 CB THR A 69 10.946 2.731 3.167 1.00 50.51 C ATOM 983 OG1 THR A 69 11.827 1.589 3.279 1.00 53.13 O ATOM 984 CG2 THR A 69 11.260 3.689 4.302 1.00 51.11 C ATOM 0 H THR A 69 10.054 0.785 1.906 1.00 44.32 H new ATOM 0 HA THR A 69 9.205 2.190 4.321 1.00 31.03 H new ATOM 0 HB THR A 69 11.085 3.238 2.212 1.00 50.51 H new ATOM 0 HG1 THR A 69 12.758 1.886 3.212 1.00 53.13 H new ATOM 0 HG21 THR A 69 12.293 4.027 4.217 1.00 51.11 H new ATOM 0 HG22 THR A 69 10.591 4.548 4.249 1.00 51.11 H new ATOM 0 HG23 THR A 69 11.122 3.180 5.256 1.00 51.11 H new ATOM 992 N ALA A 70 7.811 4.023 3.294 1.00 10.34 N ATOM 993 CA ALA A 70 6.863 4.945 2.705 1.00 62.31 C ATOM 994 C ALA A 70 7.204 6.389 3.041 1.00 43.33 C ATOM 995 O ALA A 70 7.741 6.698 4.127 1.00 62.23 O ATOM 996 CB ALA A 70 5.452 4.619 3.160 1.00 15.20 C ATOM 0 H ALA A 70 7.847 4.047 4.313 1.00 10.34 H new ATOM 0 HA ALA A 70 6.922 4.831 1.623 1.00 62.31 H new ATOM 0 HB1 ALA A 70 4.752 5.322 2.708 1.00 15.20 H new ATOM 0 HB2 ALA A 70 5.196 3.605 2.854 1.00 15.20 H new ATOM 0 HB3 ALA A 70 5.393 4.696 4.246 1.00 15.20 H new ATOM 1002 N GLY A 71 6.906 7.254 2.113 1.00 41.31 N ATOM 1003 CA GLY A 71 7.169 8.657 2.237 1.00 2.42 C ATOM 1004 C GLY A 71 7.857 9.105 0.993 1.00 73.04 C ATOM 1005 O GLY A 71 7.920 8.337 0.037 1.00 70.23 O ATOM 0 H GLY A 71 6.464 6.996 1.231 1.00 41.31 H new ATOM 0 HA2 GLY A 71 6.240 9.208 2.379 1.00 2.42 H new ATOM 0 HA3 GLY A 71 7.792 8.853 3.110 1.00 2.42 H new ATOM 1009 N ARG A 72 8.373 10.299 0.964 1.00 11.32 N ATOM 1010 CA ARG A 72 9.099 10.711 -0.204 1.00 71.30 C ATOM 1011 C ARG A 72 10.532 10.929 0.227 1.00 54.44 C ATOM 1012 O ARG A 72 10.806 11.778 1.077 1.00 73.31 O ATOM 1013 CB ARG A 72 8.432 11.976 -0.817 1.00 41.24 C ATOM 1014 CG ARG A 72 8.941 12.416 -2.203 1.00 63.15 C ATOM 1015 CD ARG A 72 10.261 13.166 -2.146 1.00 52.42 C ATOM 1016 NE ARG A 72 10.124 14.456 -1.458 1.00 54.25 N ATOM 1017 CZ ARG A 72 11.144 15.157 -0.924 1.00 41.45 C ATOM 1018 NH1 ARG A 72 12.381 14.666 -0.921 1.00 52.21 N ATOM 1019 NH2 ARG A 72 10.921 16.346 -0.402 1.00 30.03 N ATOM 0 H ARG A 72 8.309 10.989 1.713 1.00 11.32 H new ATOM 0 HA ARG A 72 9.084 9.960 -0.994 1.00 71.30 H new ATOM 0 HB2 ARG A 72 7.359 11.796 -0.888 1.00 41.24 H new ATOM 0 HB3 ARG A 72 8.570 12.805 -0.123 1.00 41.24 H new ATOM 0 HG2 ARG A 72 9.057 11.536 -2.836 1.00 63.15 H new ATOM 0 HG3 ARG A 72 8.190 13.050 -2.674 1.00 63.15 H new ATOM 0 HD2 ARG A 72 11.004 12.556 -1.632 1.00 52.42 H new ATOM 0 HD3 ARG A 72 10.630 13.331 -3.158 1.00 52.42 H new ATOM 0 HE ARG A 72 9.187 14.851 -1.378 1.00 54.25 H new ATOM 0 HH11 ARG A 72 12.566 13.748 -1.326 1.00 52.21 H new ATOM 0 HH12 ARG A 72 13.144 15.207 -0.514 1.00 52.21 H new ATOM 0 HH21 ARG A 72 9.978 16.734 -0.402 1.00 30.03 H new ATOM 0 HH22 ARG A 72 11.691 16.878 0.003 1.00 30.03 H new ATOM 1033 N HIS A 73 11.423 10.151 -0.361 1.00 22.33 N ATOM 1034 CA HIS A 73 12.847 10.113 -0.048 1.00 3.02 C ATOM 1035 C HIS A 73 13.451 9.003 -0.916 1.00 1.54 C ATOM 1036 O HIS A 73 12.702 8.182 -1.411 1.00 0.35 O ATOM 1037 CB HIS A 73 13.084 9.831 1.486 1.00 72.13 C ATOM 1038 CG HIS A 73 12.485 8.557 2.027 1.00 15.35 C ATOM 1039 ND1 HIS A 73 11.193 8.453 2.483 1.00 31.31 N ATOM 1040 CD2 HIS A 73 13.033 7.346 2.198 1.00 25.30 C ATOM 1041 CE1 HIS A 73 10.999 7.211 2.903 1.00 21.42 C ATOM 1042 NE2 HIS A 73 12.091 6.492 2.757 1.00 75.41 N ATOM 0 H HIS A 73 11.166 9.499 -1.102 1.00 22.33 H new ATOM 0 HA HIS A 73 13.320 11.072 -0.258 1.00 3.02 H new ATOM 0 HB2 HIS A 73 14.158 9.810 1.669 1.00 72.13 H new ATOM 0 HB3 HIS A 73 12.680 10.668 2.055 1.00 72.13 H new ATOM 0 HD1 HIS A 73 10.502 9.203 2.496 1.00 31.31 H new ATOM 0 HD2 HIS A 73 14.047 7.077 1.942 1.00 25.30 H new ATOM 0 HE1 HIS A 73 10.070 6.839 3.310 1.00 21.42 H new ATOM 1050 N PRO A 74 14.783 8.967 -1.121 1.00 31.31 N ATOM 1051 CA PRO A 74 15.467 7.953 -1.976 1.00 54.04 C ATOM 1052 C PRO A 74 15.065 6.484 -1.703 1.00 11.11 C ATOM 1053 O PRO A 74 14.949 5.679 -2.628 1.00 74.12 O ATOM 1054 CB PRO A 74 16.963 8.159 -1.645 1.00 12.32 C ATOM 1055 CG PRO A 74 16.980 9.073 -0.463 1.00 53.34 C ATOM 1056 CD PRO A 74 15.761 9.927 -0.601 1.00 11.31 C ATOM 0 HA PRO A 74 15.196 8.101 -3.021 1.00 54.04 H new ATOM 0 HB2 PRO A 74 17.450 7.211 -1.417 1.00 12.32 H new ATOM 0 HB3 PRO A 74 17.497 8.596 -2.489 1.00 12.32 H new ATOM 0 HG2 PRO A 74 16.961 8.509 0.470 1.00 53.34 H new ATOM 0 HG3 PRO A 74 17.885 9.680 -0.449 1.00 53.34 H new ATOM 0 HD2 PRO A 74 15.449 10.353 0.353 1.00 11.31 H new ATOM 0 HD3 PRO A 74 15.920 10.760 -1.285 1.00 11.31 H new ATOM 1064 N GLU A 75 14.833 6.155 -0.453 1.00 73.41 N ATOM 1065 CA GLU A 75 14.508 4.792 -0.067 1.00 70.32 C ATOM 1066 C GLU A 75 13.009 4.493 -0.065 1.00 64.43 C ATOM 1067 O GLU A 75 12.585 3.476 0.505 1.00 1.25 O ATOM 1068 CB GLU A 75 15.131 4.450 1.287 1.00 44.04 C ATOM 1069 CG GLU A 75 16.614 4.153 1.220 1.00 10.02 C ATOM 1070 CD GLU A 75 16.903 2.932 0.367 1.00 22.23 C ATOM 1071 OE1 GLU A 75 16.566 1.806 0.792 1.00 24.55 O ATOM 1072 OE2 GLU A 75 17.478 3.068 -0.738 1.00 1.25 O ATOM 0 H GLU A 75 14.863 6.816 0.323 1.00 73.41 H new ATOM 0 HA GLU A 75 14.940 4.151 -0.835 1.00 70.32 H new ATOM 0 HB2 GLU A 75 14.967 5.282 1.972 1.00 44.04 H new ATOM 0 HB3 GLU A 75 14.615 3.586 1.706 1.00 44.04 H new ATOM 0 HG2 GLU A 75 17.140 5.016 0.811 1.00 10.02 H new ATOM 0 HG3 GLU A 75 16.999 3.993 2.227 1.00 10.02 H new ATOM 1079 N SER A 76 12.212 5.339 -0.705 1.00 40.45 N ATOM 1080 CA SER A 76 10.788 5.091 -0.797 1.00 62.55 C ATOM 1081 C SER A 76 10.550 3.840 -1.643 1.00 12.14 C ATOM 1082 O SER A 76 10.860 3.825 -2.847 1.00 25.52 O ATOM 1083 CB SER A 76 10.076 6.303 -1.413 1.00 4.24 C ATOM 1084 OG SER A 76 10.632 6.621 -2.681 1.00 41.14 O ATOM 0 H SER A 76 12.528 6.194 -1.163 1.00 40.45 H new ATOM 0 HA SER A 76 10.381 4.931 0.201 1.00 62.55 H new ATOM 0 HB2 SER A 76 9.012 6.091 -1.520 1.00 4.24 H new ATOM 0 HB3 SER A 76 10.164 7.161 -0.746 1.00 4.24 H new ATOM 0 HG SER A 76 11.418 7.193 -2.559 1.00 41.14 H new ATOM 1090 N ASP A 77 10.067 2.785 -1.020 1.00 41.53 N ATOM 1091 CA ASP A 77 9.800 1.552 -1.736 1.00 23.13 C ATOM 1092 C ASP A 77 8.511 1.715 -2.501 1.00 61.14 C ATOM 1093 O ASP A 77 8.351 1.219 -3.602 1.00 40.31 O ATOM 1094 CB ASP A 77 9.762 0.353 -0.794 1.00 55.30 C ATOM 1095 CG ASP A 77 9.603 -0.968 -1.525 1.00 24.25 C ATOM 1096 OD1 ASP A 77 10.147 -1.113 -2.652 1.00 23.22 O ATOM 1097 OD2 ASP A 77 8.971 -1.885 -0.980 1.00 64.43 O ATOM 0 H ASP A 77 9.852 2.755 -0.023 1.00 41.53 H new ATOM 0 HA ASP A 77 10.609 1.352 -2.438 1.00 23.13 H new ATOM 0 HB2 ASP A 77 10.680 0.329 -0.207 1.00 55.30 H new ATOM 0 HB3 ASP A 77 8.938 0.475 -0.092 1.00 55.30 H new ATOM 1102 N ILE A 78 7.608 2.446 -1.913 1.00 4.24 N ATOM 1103 CA ILE A 78 6.410 2.860 -2.584 1.00 52.24 C ATOM 1104 C ILE A 78 6.456 4.371 -2.680 1.00 34.34 C ATOM 1105 O ILE A 78 6.563 5.065 -1.661 1.00 24.35 O ATOM 1106 CB ILE A 78 5.095 2.357 -1.895 1.00 23.04 C ATOM 1107 CG1 ILE A 78 5.075 2.682 -0.382 1.00 43.12 C ATOM 1108 CG2 ILE A 78 4.897 0.862 -2.146 1.00 35.24 C ATOM 1109 CD1 ILE A 78 3.803 2.259 0.335 1.00 34.41 C ATOM 0 H ILE A 78 7.683 2.773 -0.950 1.00 4.24 H new ATOM 0 HA ILE A 78 6.379 2.405 -3.574 1.00 52.24 H new ATOM 0 HB ILE A 78 4.259 2.894 -2.344 1.00 23.04 H new ATOM 0 HG12 ILE A 78 5.925 2.193 0.093 1.00 43.12 H new ATOM 0 HG13 ILE A 78 5.211 3.756 -0.252 1.00 43.12 H new ATOM 0 HG21 ILE A 78 3.979 0.530 -1.660 1.00 35.24 H new ATOM 0 HG22 ILE A 78 4.827 0.679 -3.218 1.00 35.24 H new ATOM 0 HG23 ILE A 78 5.744 0.309 -1.738 1.00 35.24 H new ATOM 0 HD11 ILE A 78 3.874 2.525 1.390 1.00 34.41 H new ATOM 0 HD12 ILE A 78 2.948 2.768 -0.110 1.00 34.41 H new ATOM 0 HD13 ILE A 78 3.673 1.181 0.240 1.00 34.41 H new ATOM 1121 N PHE A 79 6.474 4.873 -3.882 1.00 22.14 N ATOM 1122 CA PHE A 79 6.605 6.286 -4.084 1.00 3.43 C ATOM 1123 C PHE A 79 5.253 6.935 -4.251 1.00 1.43 C ATOM 1124 O PHE A 79 4.513 6.635 -5.180 1.00 4.40 O ATOM 1125 CB PHE A 79 7.503 6.590 -5.292 1.00 22.33 C ATOM 1126 CG PHE A 79 7.800 8.058 -5.481 1.00 33.22 C ATOM 1127 CD1 PHE A 79 8.886 8.637 -4.853 1.00 51.05 C ATOM 1128 CD2 PHE A 79 6.992 8.856 -6.282 1.00 61.14 C ATOM 1129 CE1 PHE A 79 9.162 9.976 -5.013 1.00 42.51 C ATOM 1130 CE2 PHE A 79 7.264 10.195 -6.447 1.00 44.41 C ATOM 1131 CZ PHE A 79 8.351 10.756 -5.811 1.00 34.42 C ATOM 0 H PHE A 79 6.399 4.323 -4.738 1.00 22.14 H new ATOM 0 HA PHE A 79 7.078 6.706 -3.196 1.00 3.43 H new ATOM 0 HB2 PHE A 79 8.444 6.051 -5.178 1.00 22.33 H new ATOM 0 HB3 PHE A 79 7.024 6.207 -6.193 1.00 22.33 H new ATOM 0 HD1 PHE A 79 9.526 8.031 -4.229 1.00 51.05 H new ATOM 0 HD2 PHE A 79 6.140 8.420 -6.781 1.00 61.14 H new ATOM 0 HE1 PHE A 79 10.013 10.416 -4.514 1.00 42.51 H new ATOM 0 HE2 PHE A 79 6.628 10.804 -7.072 1.00 44.41 H new ATOM 0 HZ PHE A 79 8.568 11.806 -5.938 1.00 34.42 H new ATOM 1141 N LEU A 80 4.941 7.796 -3.338 1.00 74.20 N ATOM 1142 CA LEU A 80 3.751 8.599 -3.379 1.00 50.50 C ATOM 1143 C LEU A 80 4.241 10.032 -3.309 1.00 23.11 C ATOM 1144 O LEU A 80 5.211 10.302 -2.590 1.00 14.14 O ATOM 1145 CB LEU A 80 2.834 8.322 -2.147 1.00 34.24 C ATOM 1146 CG LEU A 80 2.303 6.879 -1.906 1.00 60.22 C ATOM 1147 CD1 LEU A 80 1.709 6.258 -3.163 1.00 20.54 C ATOM 1148 CD2 LEU A 80 3.344 5.976 -1.262 1.00 61.31 C ATOM 0 H LEU A 80 5.521 7.969 -2.517 1.00 74.20 H new ATOM 0 HA LEU A 80 3.167 8.383 -4.274 1.00 50.50 H new ATOM 0 HB2 LEU A 80 3.383 8.623 -1.255 1.00 34.24 H new ATOM 0 HB3 LEU A 80 1.969 8.981 -2.227 1.00 34.24 H new ATOM 0 HG LEU A 80 1.486 6.974 -1.190 1.00 60.22 H new ATOM 0 HD11 LEU A 80 1.354 5.252 -2.939 1.00 20.54 H new ATOM 0 HD12 LEU A 80 0.875 6.868 -3.511 1.00 20.54 H new ATOM 0 HD13 LEU A 80 2.472 6.209 -3.940 1.00 20.54 H new ATOM 0 HD21 LEU A 80 2.923 4.981 -1.116 1.00 61.31 H new ATOM 0 HD22 LEU A 80 4.218 5.908 -1.910 1.00 61.31 H new ATOM 0 HD23 LEU A 80 3.639 6.390 -0.298 1.00 61.31 H new ATOM 1160 N ASP A 81 3.649 10.938 -4.060 1.00 43.14 N ATOM 1161 CA ASP A 81 4.090 12.321 -4.008 1.00 72.22 C ATOM 1162 C ASP A 81 3.498 12.999 -2.777 1.00 64.04 C ATOM 1163 O ASP A 81 2.290 12.941 -2.516 1.00 43.13 O ATOM 1164 CB ASP A 81 3.783 13.112 -5.308 1.00 15.33 C ATOM 1165 CG ASP A 81 2.333 13.502 -5.485 1.00 41.41 C ATOM 1166 OD1 ASP A 81 1.494 12.639 -5.731 1.00 44.53 O ATOM 1167 OD2 ASP A 81 2.007 14.715 -5.370 1.00 12.03 O ATOM 0 H ASP A 81 2.878 10.751 -4.701 1.00 43.14 H new ATOM 0 HA ASP A 81 5.177 12.319 -3.927 1.00 72.22 H new ATOM 0 HB2 ASP A 81 4.392 14.016 -5.319 1.00 15.33 H new ATOM 0 HB3 ASP A 81 4.090 12.511 -6.164 1.00 15.33 H new ATOM 1172 N ASP A 82 4.362 13.589 -2.012 1.00 1.21 N ATOM 1173 CA ASP A 82 4.011 14.206 -0.742 1.00 63.35 C ATOM 1174 C ASP A 82 3.305 15.542 -0.942 1.00 54.15 C ATOM 1175 O ASP A 82 3.559 16.264 -1.920 1.00 1.55 O ATOM 1176 CB ASP A 82 5.270 14.406 0.124 1.00 13.34 C ATOM 1177 CG ASP A 82 6.255 15.411 -0.464 1.00 14.22 C ATOM 1178 OD1 ASP A 82 7.050 15.046 -1.367 1.00 3.14 O ATOM 1179 OD2 ASP A 82 6.263 16.567 -0.036 1.00 14.40 O ATOM 0 H ASP A 82 5.352 13.664 -2.244 1.00 1.21 H new ATOM 0 HA ASP A 82 3.323 13.533 -0.231 1.00 63.35 H new ATOM 0 HB2 ASP A 82 4.970 14.741 1.117 1.00 13.34 H new ATOM 0 HB3 ASP A 82 5.772 13.447 0.249 1.00 13.34 H new ATOM 1184 N VAL A 83 2.382 15.845 -0.055 1.00 1.45 N ATOM 1185 CA VAL A 83 1.686 17.121 -0.074 1.00 10.22 C ATOM 1186 C VAL A 83 2.572 18.165 0.598 1.00 22.52 C ATOM 1187 O VAL A 83 2.738 19.276 0.108 1.00 30.14 O ATOM 1188 CB VAL A 83 0.305 17.027 0.644 1.00 75.15 C ATOM 1189 CG1 VAL A 83 -0.410 18.368 0.647 1.00 74.11 C ATOM 1190 CG2 VAL A 83 -0.570 15.970 -0.020 1.00 41.34 C ATOM 0 H VAL A 83 2.091 15.220 0.697 1.00 1.45 H new ATOM 0 HA VAL A 83 1.489 17.408 -1.107 1.00 10.22 H new ATOM 0 HB VAL A 83 0.489 16.738 1.679 1.00 75.15 H new ATOM 0 HG11 VAL A 83 -1.369 18.268 1.155 1.00 74.11 H new ATOM 0 HG12 VAL A 83 0.201 19.105 1.168 1.00 74.11 H new ATOM 0 HG13 VAL A 83 -0.576 18.694 -0.380 1.00 74.11 H new ATOM 0 HG21 VAL A 83 -1.530 15.917 0.493 1.00 41.34 H new ATOM 0 HG22 VAL A 83 -0.731 16.235 -1.065 1.00 41.34 H new ATOM 0 HG23 VAL A 83 -0.075 15.000 0.036 1.00 41.34 H new ATOM 1200 N THR A 84 3.153 17.769 1.691 1.00 63.32 N ATOM 1201 CA THR A 84 4.082 18.560 2.430 1.00 41.13 C ATOM 1202 C THR A 84 5.257 17.627 2.743 1.00 13.33 C ATOM 1203 O THR A 84 5.057 16.393 2.772 1.00 52.21 O ATOM 1204 CB THR A 84 3.403 19.137 3.697 1.00 54.22 C ATOM 1205 OG1 THR A 84 2.224 19.847 3.283 1.00 51.04 O ATOM 1206 CG2 THR A 84 4.318 20.109 4.437 1.00 22.43 C ATOM 0 H THR A 84 2.985 16.852 2.105 1.00 63.32 H new ATOM 0 HA THR A 84 4.437 19.429 1.876 1.00 41.13 H new ATOM 0 HB THR A 84 3.167 18.314 4.371 1.00 54.22 H new ATOM 0 HG1 THR A 84 1.775 20.221 4.069 1.00 51.04 H new ATOM 0 HG21 THR A 84 3.805 20.491 5.319 1.00 22.43 H new ATOM 0 HG22 THR A 84 5.228 19.592 4.742 1.00 22.43 H new ATOM 0 HG23 THR A 84 4.576 20.939 3.779 1.00 22.43 H new ATOM 1214 N VAL A 85 6.434 18.170 3.019 1.00 11.21 N ATOM 1215 CA VAL A 85 7.656 17.373 3.024 1.00 42.13 C ATOM 1216 C VAL A 85 7.738 16.442 4.201 1.00 1.03 C ATOM 1217 O VAL A 85 8.084 16.835 5.316 1.00 73.21 O ATOM 1218 CB VAL A 85 8.925 18.245 3.012 1.00 54.12 C ATOM 1219 CG1 VAL A 85 10.167 17.385 2.812 1.00 5.24 C ATOM 1220 CG2 VAL A 85 8.830 19.317 1.959 1.00 75.43 C ATOM 0 H VAL A 85 6.570 19.156 3.242 1.00 11.21 H new ATOM 0 HA VAL A 85 7.607 16.787 2.106 1.00 42.13 H new ATOM 0 HB VAL A 85 9.010 18.738 3.981 1.00 54.12 H new ATOM 0 HG11 VAL A 85 11.053 18.020 2.807 1.00 5.24 H new ATOM 0 HG12 VAL A 85 10.244 16.662 3.624 1.00 5.24 H new ATOM 0 HG13 VAL A 85 10.094 16.856 1.862 1.00 5.24 H new ATOM 0 HG21 VAL A 85 9.738 19.920 1.970 1.00 75.43 H new ATOM 0 HG22 VAL A 85 8.713 18.855 0.979 1.00 75.43 H new ATOM 0 HG23 VAL A 85 7.970 19.954 2.165 1.00 75.43 H new ATOM 1230 N SER A 86 7.397 15.220 3.938 1.00 10.52 N ATOM 1231 CA SER A 86 7.480 14.176 4.887 1.00 64.11 C ATOM 1232 C SER A 86 8.697 13.331 4.536 1.00 31.15 C ATOM 1233 O SER A 86 8.658 12.545 3.573 1.00 31.15 O ATOM 1234 CB SER A 86 6.200 13.346 4.824 1.00 25.43 C ATOM 1235 OG SER A 86 5.057 14.191 4.910 1.00 71.11 O ATOM 0 H SER A 86 7.044 14.921 3.029 1.00 10.52 H new ATOM 0 HA SER A 86 7.585 14.563 5.901 1.00 64.11 H new ATOM 0 HB2 SER A 86 6.172 12.779 3.894 1.00 25.43 H new ATOM 0 HB3 SER A 86 6.188 12.622 5.639 1.00 25.43 H new ATOM 0 HG SER A 86 5.019 14.772 4.121 1.00 71.11 H new ATOM 1241 N ARG A 87 9.785 13.538 5.278 1.00 14.31 N ATOM 1242 CA ARG A 87 11.050 12.830 5.052 1.00 52.34 C ATOM 1243 C ARG A 87 10.888 11.318 5.124 1.00 75.10 C ATOM 1244 O ARG A 87 11.580 10.576 4.449 1.00 53.31 O ATOM 1245 CB ARG A 87 12.184 13.377 5.966 1.00 62.34 C ATOM 1246 CG ARG A 87 11.862 13.503 7.471 1.00 43.23 C ATOM 1247 CD ARG A 87 11.818 12.172 8.223 1.00 12.11 C ATOM 1248 NE ARG A 87 11.375 12.360 9.616 1.00 4.10 N ATOM 1249 CZ ARG A 87 11.132 11.396 10.507 1.00 22.22 C ATOM 1250 NH1 ARG A 87 11.396 10.130 10.218 1.00 40.12 N ATOM 1251 NH2 ARG A 87 10.660 11.718 11.713 1.00 43.24 N ATOM 0 H ARG A 87 9.817 14.200 6.053 1.00 14.31 H new ATOM 0 HA ARG A 87 11.361 13.036 4.028 1.00 52.34 H new ATOM 0 HB2 ARG A 87 13.052 12.727 5.857 1.00 62.34 H new ATOM 0 HB3 ARG A 87 12.474 14.361 5.597 1.00 62.34 H new ATOM 0 HG2 ARG A 87 12.610 14.145 7.937 1.00 43.23 H new ATOM 0 HG3 ARG A 87 10.899 14.001 7.583 1.00 43.23 H new ATOM 0 HD2 ARG A 87 11.142 11.486 7.713 1.00 12.11 H new ATOM 0 HD3 ARG A 87 12.806 11.712 8.212 1.00 12.11 H new ATOM 0 HE ARG A 87 11.241 13.321 9.930 1.00 4.10 H new ATOM 0 HH11 ARG A 87 11.788 9.886 9.309 1.00 40.12 H new ATOM 0 HH12 ARG A 87 11.207 9.400 10.905 1.00 40.12 H new ATOM 0 HH21 ARG A 87 10.487 12.695 11.949 1.00 43.24 H new ATOM 0 HH22 ARG A 87 10.472 10.987 12.399 1.00 43.24 H new ATOM 1265 N ARG A 88 9.974 10.883 5.939 1.00 51.10 N ATOM 1266 CA ARG A 88 9.584 9.510 6.014 1.00 71.51 C ATOM 1267 C ARG A 88 8.236 9.484 6.655 1.00 62.43 C ATOM 1268 O ARG A 88 8.014 10.173 7.645 1.00 50.31 O ATOM 1269 CB ARG A 88 10.600 8.647 6.781 1.00 44.53 C ATOM 1270 CG ARG A 88 10.244 7.161 6.802 1.00 42.33 C ATOM 1271 CD ARG A 88 11.363 6.324 7.387 1.00 31.33 C ATOM 1272 NE ARG A 88 12.568 6.364 6.539 1.00 32.13 N ATOM 1273 CZ ARG A 88 13.759 5.849 6.875 1.00 40.21 C ATOM 1274 NH1 ARG A 88 13.931 5.282 8.065 1.00 41.44 N ATOM 1275 NH2 ARG A 88 14.775 5.909 6.019 1.00 41.41 N ATOM 0 H ARG A 88 9.468 11.489 6.585 1.00 51.10 H new ATOM 0 HA ARG A 88 9.549 9.074 5.015 1.00 71.51 H new ATOM 0 HB2 ARG A 88 11.584 8.770 6.329 1.00 44.53 H new ATOM 0 HB3 ARG A 88 10.672 9.010 7.806 1.00 44.53 H new ATOM 0 HG2 ARG A 88 9.336 7.013 7.386 1.00 42.33 H new ATOM 0 HG3 ARG A 88 10.030 6.824 5.788 1.00 42.33 H new ATOM 0 HD2 ARG A 88 11.607 6.688 8.385 1.00 31.33 H new ATOM 0 HD3 ARG A 88 11.028 5.293 7.497 1.00 31.33 H new ATOM 0 HE ARG A 88 12.490 6.817 5.629 1.00 32.13 H new ATOM 0 HH11 ARG A 88 13.155 5.238 8.726 1.00 41.44 H new ATOM 0 HH12 ARG A 88 14.839 4.891 8.317 1.00 41.44 H new ATOM 0 HH21 ARG A 88 14.648 6.347 5.107 1.00 41.41 H new ATOM 0 HH22 ARG A 88 15.681 5.517 6.275 1.00 41.41 H new ATOM 1289 N HIS A 89 7.340 8.755 6.074 1.00 42.30 N ATOM 1290 CA HIS A 89 5.982 8.730 6.546 1.00 41.02 C ATOM 1291 C HIS A 89 5.745 7.504 7.425 1.00 70.14 C ATOM 1292 O HIS A 89 5.360 7.625 8.585 1.00 34.52 O ATOM 1293 CB HIS A 89 5.044 8.739 5.317 1.00 1.32 C ATOM 1294 CG HIS A 89 3.590 8.581 5.616 1.00 60.45 C ATOM 1295 ND1 HIS A 89 2.959 7.389 5.399 1.00 33.35 N ATOM 1296 CD2 HIS A 89 2.702 9.476 6.096 1.00 12.22 C ATOM 1297 CE1 HIS A 89 1.712 7.578 5.754 1.00 74.34 C ATOM 1298 NE2 HIS A 89 1.504 8.826 6.181 1.00 72.31 N ATOM 0 H HIS A 89 7.520 8.162 5.264 1.00 42.30 H new ATOM 0 HA HIS A 89 5.777 9.606 7.161 1.00 41.02 H new ATOM 0 HB2 HIS A 89 5.187 9.677 4.780 1.00 1.32 H new ATOM 0 HB3 HIS A 89 5.348 7.937 4.644 1.00 1.32 H new ATOM 0 HD1 HIS A 89 3.373 6.530 5.036 1.00 33.35 H new ATOM 0 HD2 HIS A 89 2.900 10.504 6.361 1.00 12.22 H new ATOM 0 HE1 HIS A 89 0.946 6.818 5.707 1.00 74.34 H new ATOM 1306 N ALA A 90 6.078 6.343 6.908 1.00 22.44 N ATOM 1307 CA ALA A 90 5.824 5.117 7.616 1.00 71.22 C ATOM 1308 C ALA A 90 6.706 4.012 7.096 1.00 60.33 C ATOM 1309 O ALA A 90 7.327 4.147 6.033 1.00 11.11 O ATOM 1310 CB ALA A 90 4.355 4.718 7.469 1.00 4.12 C ATOM 0 H ALA A 90 6.525 6.226 5.999 1.00 22.44 H new ATOM 0 HA ALA A 90 6.048 5.277 8.671 1.00 71.22 H new ATOM 0 HB1 ALA A 90 4.175 3.789 8.009 1.00 4.12 H new ATOM 0 HB2 ALA A 90 3.722 5.505 7.879 1.00 4.12 H new ATOM 0 HB3 ALA A 90 4.120 4.576 6.414 1.00 4.12 H new ATOM 1316 N GLU A 91 6.794 2.959 7.846 1.00 42.54 N ATOM 1317 CA GLU A 91 7.482 1.769 7.438 1.00 25.43 C ATOM 1318 C GLU A 91 6.503 0.624 7.458 1.00 13.42 C ATOM 1319 O GLU A 91 5.770 0.438 8.433 1.00 45.41 O ATOM 1320 CB GLU A 91 8.655 1.410 8.353 1.00 33.50 C ATOM 1321 CG GLU A 91 9.777 2.421 8.424 1.00 32.24 C ATOM 1322 CD GLU A 91 10.944 1.875 9.211 1.00 42.31 C ATOM 1323 OE1 GLU A 91 10.894 1.871 10.451 1.00 61.45 O ATOM 1324 OE2 GLU A 91 11.919 1.396 8.594 1.00 22.30 O ATOM 0 H GLU A 91 6.383 2.898 8.777 1.00 42.54 H new ATOM 0 HA GLU A 91 7.886 1.952 6.442 1.00 25.43 H new ATOM 0 HB2 GLU A 91 8.269 1.254 9.360 1.00 33.50 H new ATOM 0 HB3 GLU A 91 9.071 0.459 8.021 1.00 33.50 H new ATOM 0 HG2 GLU A 91 10.102 2.681 7.417 1.00 32.24 H new ATOM 0 HG3 GLU A 91 9.417 3.338 8.889 1.00 32.24 H new ATOM 1331 N PHE A 92 6.475 -0.109 6.405 1.00 14.00 N ATOM 1332 CA PHE A 92 5.661 -1.282 6.308 1.00 55.42 C ATOM 1333 C PHE A 92 6.596 -2.452 6.423 1.00 50.55 C ATOM 1334 O PHE A 92 7.464 -2.639 5.575 1.00 55.34 O ATOM 1335 CB PHE A 92 4.947 -1.349 4.946 1.00 52.33 C ATOM 1336 CG PHE A 92 3.907 -0.285 4.673 1.00 12.44 C ATOM 1337 CD1 PHE A 92 4.250 1.058 4.574 1.00 15.32 C ATOM 1338 CD2 PHE A 92 2.588 -0.642 4.481 1.00 31.31 C ATOM 1339 CE1 PHE A 92 3.294 2.014 4.297 1.00 51.03 C ATOM 1340 CE2 PHE A 92 1.629 0.310 4.206 1.00 43.44 C ATOM 1341 CZ PHE A 92 1.981 1.639 4.113 1.00 11.44 C ATOM 0 H PHE A 92 7.024 0.086 5.568 1.00 14.00 H new ATOM 0 HA PHE A 92 4.897 -1.279 7.086 1.00 55.42 H new ATOM 0 HB2 PHE A 92 5.703 -1.296 4.162 1.00 52.33 H new ATOM 0 HB3 PHE A 92 4.467 -2.324 4.860 1.00 52.33 H new ATOM 0 HD1 PHE A 92 5.278 1.357 4.716 1.00 15.32 H new ATOM 0 HD2 PHE A 92 2.303 -1.682 4.547 1.00 31.31 H new ATOM 0 HE1 PHE A 92 3.575 3.054 4.225 1.00 51.03 H new ATOM 0 HE2 PHE A 92 0.600 0.013 4.063 1.00 43.44 H new ATOM 0 HZ PHE A 92 1.230 2.384 3.897 1.00 11.44 H new ATOM 1351 N ARG A 93 6.484 -3.192 7.464 1.00 31.25 N ATOM 1352 CA ARG A 93 7.348 -4.325 7.646 1.00 24.14 C ATOM 1353 C ARG A 93 6.571 -5.598 7.546 1.00 21.33 C ATOM 1354 O ARG A 93 5.418 -5.675 7.977 1.00 24.30 O ATOM 1355 CB ARG A 93 8.098 -4.279 8.977 1.00 1.44 C ATOM 1356 CG ARG A 93 9.103 -3.148 9.120 1.00 3.34 C ATOM 1357 CD ARG A 93 9.753 -3.180 10.498 1.00 52.14 C ATOM 1358 NE ARG A 93 10.511 -4.425 10.752 1.00 64.33 N ATOM 1359 CZ ARG A 93 10.196 -5.343 11.700 1.00 31.45 C ATOM 1360 NH1 ARG A 93 9.096 -5.217 12.426 1.00 62.40 N ATOM 1361 NH2 ARG A 93 10.974 -6.392 11.901 1.00 61.53 N ATOM 0 H ARG A 93 5.805 -3.043 8.211 1.00 31.25 H new ATOM 0 HA ARG A 93 8.090 -4.286 6.849 1.00 24.14 H new ATOM 0 HB2 ARG A 93 7.369 -4.198 9.783 1.00 1.44 H new ATOM 0 HB3 ARG A 93 8.620 -5.226 9.113 1.00 1.44 H new ATOM 0 HG2 ARG A 93 9.868 -3.235 8.349 1.00 3.34 H new ATOM 0 HG3 ARG A 93 8.605 -2.190 8.969 1.00 3.34 H new ATOM 0 HD2 ARG A 93 10.424 -2.326 10.597 1.00 52.14 H new ATOM 0 HD3 ARG A 93 8.982 -3.069 11.260 1.00 52.14 H new ATOM 0 HE ARG A 93 11.330 -4.606 10.172 1.00 64.33 H new ATOM 0 HH11 ARG A 93 8.474 -4.423 12.276 1.00 62.40 H new ATOM 0 HH12 ARG A 93 8.871 -5.914 13.136 1.00 62.40 H new ATOM 0 HH21 ARG A 93 11.818 -6.516 11.342 1.00 61.53 H new ATOM 0 HH22 ARG A 93 10.731 -7.078 12.616 1.00 61.53 H new ATOM 1375 N ILE A 94 7.170 -6.563 6.945 1.00 23.05 N ATOM 1376 CA ILE A 94 6.611 -7.864 6.857 1.00 41.34 C ATOM 1377 C ILE A 94 7.525 -8.739 7.668 1.00 60.33 C ATOM 1378 O ILE A 94 8.695 -8.921 7.322 1.00 1.12 O ATOM 1379 CB ILE A 94 6.503 -8.408 5.379 1.00 12.14 C ATOM 1380 CG1 ILE A 94 5.554 -7.555 4.492 1.00 3.42 C ATOM 1381 CG2 ILE A 94 6.039 -9.864 5.365 1.00 53.25 C ATOM 1382 CD1 ILE A 94 6.036 -6.156 4.138 1.00 65.15 C ATOM 0 H ILE A 94 8.079 -6.469 6.492 1.00 23.05 H new ATOM 0 HA ILE A 94 5.585 -7.853 7.225 1.00 41.34 H new ATOM 0 HB ILE A 94 7.505 -8.338 4.957 1.00 12.14 H new ATOM 0 HG12 ILE A 94 5.372 -8.099 3.565 1.00 3.42 H new ATOM 0 HG13 ILE A 94 4.595 -7.467 5.003 1.00 3.42 H new ATOM 0 HG21 ILE A 94 5.973 -10.215 4.335 1.00 53.25 H new ATOM 0 HG22 ILE A 94 6.753 -10.479 5.913 1.00 53.25 H new ATOM 0 HG23 ILE A 94 5.059 -9.938 5.837 1.00 53.25 H new ATOM 0 HD11 ILE A 94 5.290 -5.660 3.517 1.00 65.15 H new ATOM 0 HD12 ILE A 94 6.188 -5.581 5.052 1.00 65.15 H new ATOM 0 HD13 ILE A 94 6.976 -6.223 3.591 1.00 65.15 H new ATOM 1394 N ASN A 95 7.024 -9.228 8.749 1.00 55.34 N ATOM 1395 CA ASN A 95 7.810 -10.004 9.656 1.00 1.15 C ATOM 1396 C ASN A 95 7.073 -11.263 10.009 1.00 62.35 C ATOM 1397 O ASN A 95 5.898 -11.229 10.377 1.00 62.12 O ATOM 1398 CB ASN A 95 8.181 -9.185 10.920 1.00 24.33 C ATOM 1399 CG ASN A 95 6.986 -8.790 11.781 1.00 20.24 C ATOM 1400 OD1 ASN A 95 6.350 -7.771 11.549 1.00 72.25 O ATOM 1401 ND2 ASN A 95 6.712 -9.555 12.806 1.00 70.45 N ATOM 0 H ASN A 95 6.053 -9.103 9.034 1.00 55.34 H new ATOM 0 HA ASN A 95 8.747 -10.275 9.170 1.00 1.15 H new ATOM 0 HB2 ASN A 95 8.875 -9.768 11.526 1.00 24.33 H new ATOM 0 HB3 ASN A 95 8.708 -8.282 10.612 1.00 24.33 H new ATOM 0 HD21 ASN A 95 5.950 -9.308 13.438 1.00 70.45 H new ATOM 0 HD22 ASN A 95 7.260 -10.399 12.974 1.00 70.45 H new ATOM 1408 N GLU A 96 7.751 -12.372 9.818 1.00 44.23 N ATOM 1409 CA GLU A 96 7.243 -13.729 10.066 1.00 11.41 C ATOM 1410 C GLU A 96 5.944 -13.959 9.276 1.00 64.14 C ATOM 1411 O GLU A 96 5.036 -14.682 9.720 1.00 65.14 O ATOM 1412 CB GLU A 96 6.990 -13.947 11.577 1.00 21.20 C ATOM 1413 CG GLU A 96 8.147 -13.549 12.490 1.00 63.35 C ATOM 1414 CD GLU A 96 9.476 -14.116 12.059 1.00 33.01 C ATOM 1415 OE1 GLU A 96 9.769 -15.288 12.337 1.00 24.21 O ATOM 1416 OE2 GLU A 96 10.272 -13.377 11.439 1.00 5.41 O ATOM 0 H GLU A 96 8.711 -12.368 9.472 1.00 44.23 H new ATOM 0 HA GLU A 96 7.994 -14.446 9.733 1.00 11.41 H new ATOM 0 HB2 GLU A 96 6.106 -13.379 11.867 1.00 21.20 H new ATOM 0 HB3 GLU A 96 6.761 -15.000 11.743 1.00 21.20 H new ATOM 0 HG2 GLU A 96 8.218 -12.462 12.521 1.00 63.35 H new ATOM 0 HG3 GLU A 96 7.930 -13.883 13.505 1.00 63.35 H new ATOM 1423 N GLY A 97 5.895 -13.389 8.080 1.00 3.31 N ATOM 1424 CA GLY A 97 4.732 -13.513 7.225 1.00 61.32 C ATOM 1425 C GLY A 97 3.590 -12.567 7.600 1.00 22.22 C ATOM 1426 O GLY A 97 2.562 -12.540 6.925 1.00 54.55 O ATOM 0 H GLY A 97 6.653 -12.835 7.682 1.00 3.31 H new ATOM 0 HA2 GLY A 97 5.028 -13.320 6.194 1.00 61.32 H new ATOM 0 HA3 GLY A 97 4.370 -14.540 7.266 1.00 61.32 H new ATOM 1430 N GLU A 98 3.765 -11.792 8.656 1.00 40.10 N ATOM 1431 CA GLU A 98 2.731 -10.879 9.111 1.00 64.02 C ATOM 1432 C GLU A 98 3.100 -9.455 8.743 1.00 1.10 C ATOM 1433 O GLU A 98 4.276 -9.118 8.658 1.00 53.30 O ATOM 1434 CB GLU A 98 2.495 -11.014 10.613 1.00 72.34 C ATOM 1435 CG GLU A 98 2.221 -12.442 11.040 1.00 73.53 C ATOM 1436 CD GLU A 98 1.746 -12.557 12.457 1.00 1.13 C ATOM 1437 OE1 GLU A 98 2.487 -12.202 13.389 1.00 24.12 O ATOM 1438 OE2 GLU A 98 0.626 -13.055 12.670 1.00 0.13 O ATOM 0 H GLU A 98 4.617 -11.777 9.217 1.00 40.10 H new ATOM 0 HA GLU A 98 1.797 -11.138 8.612 1.00 64.02 H new ATOM 0 HB2 GLU A 98 3.368 -10.641 11.148 1.00 72.34 H new ATOM 0 HB3 GLU A 98 1.652 -10.386 10.901 1.00 72.34 H new ATOM 0 HG2 GLU A 98 1.472 -12.875 10.377 1.00 73.53 H new ATOM 0 HG3 GLU A 98 3.131 -13.030 10.920 1.00 73.53 H new ATOM 1445 N PHE A 99 2.111 -8.635 8.524 1.00 13.41 N ATOM 1446 CA PHE A 99 2.330 -7.293 8.037 1.00 75.40 C ATOM 1447 C PHE A 99 2.103 -6.273 9.151 1.00 23.43 C ATOM 1448 O PHE A 99 1.104 -6.340 9.861 1.00 21.14 O ATOM 1449 CB PHE A 99 1.349 -7.008 6.882 1.00 1.43 C ATOM 1450 CG PHE A 99 1.378 -8.026 5.758 1.00 20.34 C ATOM 1451 CD1 PHE A 99 0.636 -9.200 5.841 1.00 10.05 C ATOM 1452 CD2 PHE A 99 2.142 -7.810 4.629 1.00 44.44 C ATOM 1453 CE1 PHE A 99 0.661 -10.129 4.822 1.00 1.42 C ATOM 1454 CE2 PHE A 99 2.171 -8.740 3.604 1.00 35.32 C ATOM 1455 CZ PHE A 99 1.432 -9.900 3.701 1.00 15.13 C ATOM 0 H PHE A 99 1.131 -8.873 8.676 1.00 13.41 H new ATOM 0 HA PHE A 99 3.359 -7.209 7.688 1.00 75.40 H new ATOM 0 HB2 PHE A 99 0.338 -6.962 7.286 1.00 1.43 H new ATOM 0 HB3 PHE A 99 1.572 -6.024 6.469 1.00 1.43 H new ATOM 0 HD1 PHE A 99 0.032 -9.387 6.716 1.00 10.05 H new ATOM 0 HD2 PHE A 99 2.724 -6.904 4.544 1.00 44.44 H new ATOM 0 HE1 PHE A 99 0.078 -11.035 4.901 1.00 1.42 H new ATOM 0 HE2 PHE A 99 2.774 -8.557 2.727 1.00 35.32 H new ATOM 0 HZ PHE A 99 1.457 -10.627 2.902 1.00 15.13 H new ATOM 1465 N GLU A 100 3.020 -5.363 9.318 1.00 41.13 N ATOM 1466 CA GLU A 100 2.865 -4.280 10.270 1.00 43.14 C ATOM 1467 C GLU A 100 3.175 -2.960 9.598 1.00 71.23 C ATOM 1468 O GLU A 100 3.999 -2.899 8.679 1.00 2.53 O ATOM 1469 CB GLU A 100 3.762 -4.442 11.504 1.00 11.10 C ATOM 1470 CG GLU A 100 5.247 -4.488 11.197 1.00 10.42 C ATOM 1471 CD GLU A 100 6.098 -4.362 12.427 1.00 14.41 C ATOM 1472 OE1 GLU A 100 5.924 -5.132 13.364 1.00 64.45 O ATOM 1473 OE2 GLU A 100 6.989 -3.487 12.475 1.00 24.54 O ATOM 0 H GLU A 100 3.900 -5.344 8.802 1.00 41.13 H new ATOM 0 HA GLU A 100 1.830 -4.303 10.612 1.00 43.14 H new ATOM 0 HB2 GLU A 100 3.570 -3.616 12.189 1.00 11.10 H new ATOM 0 HB3 GLU A 100 3.482 -5.358 12.024 1.00 11.10 H new ATOM 0 HG2 GLU A 100 5.481 -5.426 10.693 1.00 10.42 H new ATOM 0 HG3 GLU A 100 5.496 -3.684 10.504 1.00 10.42 H new ATOM 1480 N VAL A 101 2.507 -1.933 10.014 1.00 13.20 N ATOM 1481 CA VAL A 101 2.762 -0.613 9.510 1.00 50.13 C ATOM 1482 C VAL A 101 3.039 0.275 10.694 1.00 43.51 C ATOM 1483 O VAL A 101 2.225 0.340 11.623 1.00 35.41 O ATOM 1484 CB VAL A 101 1.531 -0.042 8.748 1.00 14.43 C ATOM 1485 CG1 VAL A 101 1.834 1.329 8.152 1.00 11.11 C ATOM 1486 CG2 VAL A 101 1.063 -0.999 7.670 1.00 13.22 C ATOM 0 H VAL A 101 1.767 -1.981 10.714 1.00 13.20 H new ATOM 0 HA VAL A 101 3.602 -0.653 8.817 1.00 50.13 H new ATOM 0 HB VAL A 101 0.725 0.076 9.473 1.00 14.43 H new ATOM 0 HG11 VAL A 101 0.954 1.700 7.627 1.00 11.11 H new ATOM 0 HG12 VAL A 101 2.099 2.022 8.950 1.00 11.11 H new ATOM 0 HG13 VAL A 101 2.666 1.246 7.453 1.00 11.11 H new ATOM 0 HG21 VAL A 101 0.202 -0.574 7.155 1.00 13.22 H new ATOM 0 HG22 VAL A 101 1.869 -1.164 6.955 1.00 13.22 H new ATOM 0 HG23 VAL A 101 0.781 -1.949 8.124 1.00 13.22 H new ATOM 1496 N VAL A 102 4.177 0.908 10.699 1.00 14.22 N ATOM 1497 CA VAL A 102 4.498 1.849 11.734 1.00 51.45 C ATOM 1498 C VAL A 102 4.719 3.229 11.143 1.00 73.13 C ATOM 1499 O VAL A 102 5.547 3.419 10.252 1.00 52.44 O ATOM 1500 CB VAL A 102 5.725 1.416 12.603 1.00 73.43 C ATOM 1501 CG1 VAL A 102 5.400 0.170 13.404 1.00 3.25 C ATOM 1502 CG2 VAL A 102 6.969 1.174 11.751 1.00 14.20 C ATOM 0 H VAL A 102 4.903 0.788 9.993 1.00 14.22 H new ATOM 0 HA VAL A 102 3.641 1.877 12.408 1.00 51.45 H new ATOM 0 HB VAL A 102 5.940 2.238 13.286 1.00 73.43 H new ATOM 0 HG11 VAL A 102 6.266 -0.115 14.001 1.00 3.25 H new ATOM 0 HG12 VAL A 102 4.555 0.371 14.063 1.00 3.25 H new ATOM 0 HG13 VAL A 102 5.145 -0.643 12.724 1.00 3.25 H new ATOM 0 HG21 VAL A 102 7.797 0.875 12.393 1.00 14.20 H new ATOM 0 HG22 VAL A 102 6.767 0.383 11.028 1.00 14.20 H new ATOM 0 HG23 VAL A 102 7.232 2.090 11.222 1.00 14.20 H new ATOM 1512 N ASP A 103 3.963 4.155 11.608 1.00 34.22 N ATOM 1513 CA ASP A 103 4.051 5.537 11.195 1.00 33.23 C ATOM 1514 C ASP A 103 5.135 6.226 11.968 1.00 54.32 C ATOM 1515 O ASP A 103 5.283 6.008 13.188 1.00 22.25 O ATOM 1516 CB ASP A 103 2.721 6.246 11.444 1.00 1.43 C ATOM 1517 CG ASP A 103 2.766 7.742 11.241 1.00 63.24 C ATOM 1518 OD1 ASP A 103 3.202 8.464 12.153 1.00 72.30 O ATOM 1519 OD2 ASP A 103 2.326 8.226 10.210 1.00 0.22 O ATOM 0 H ASP A 103 3.240 3.984 12.307 1.00 34.22 H new ATOM 0 HA ASP A 103 4.281 5.573 10.130 1.00 33.23 H new ATOM 0 HB2 ASP A 103 1.968 5.824 10.779 1.00 1.43 H new ATOM 0 HB3 ASP A 103 2.398 6.039 12.464 1.00 1.43 H new ATOM 1524 N VAL A 104 5.894 7.025 11.277 1.00 42.43 N ATOM 1525 CA VAL A 104 6.944 7.794 11.877 1.00 32.11 C ATOM 1526 C VAL A 104 6.785 9.260 11.491 1.00 22.31 C ATOM 1527 O VAL A 104 7.672 10.086 11.736 1.00 41.24 O ATOM 1528 CB VAL A 104 8.364 7.283 11.470 1.00 71.22 C ATOM 1529 CG1 VAL A 104 8.611 5.872 11.985 1.00 35.23 C ATOM 1530 CG2 VAL A 104 8.556 7.333 9.963 1.00 33.35 C ATOM 0 H VAL A 104 5.800 7.162 10.271 1.00 42.43 H new ATOM 0 HA VAL A 104 6.861 7.680 12.958 1.00 32.11 H new ATOM 0 HB VAL A 104 9.093 7.950 11.932 1.00 71.22 H new ATOM 0 HG11 VAL A 104 9.607 5.545 11.686 1.00 35.23 H new ATOM 0 HG12 VAL A 104 8.538 5.864 13.072 1.00 35.23 H new ATOM 0 HG13 VAL A 104 7.866 5.196 11.566 1.00 35.23 H new ATOM 0 HG21 VAL A 104 9.553 6.971 9.711 1.00 33.35 H new ATOM 0 HG22 VAL A 104 7.809 6.703 9.480 1.00 33.35 H new ATOM 0 HG23 VAL A 104 8.444 8.360 9.616 1.00 33.35 H new ATOM 1540 N GLY A 105 5.644 9.598 10.943 1.00 73.11 N ATOM 1541 CA GLY A 105 5.423 10.935 10.514 1.00 55.20 C ATOM 1542 C GLY A 105 4.106 11.113 9.822 1.00 61.34 C ATOM 1543 O GLY A 105 4.055 11.206 8.594 1.00 71.11 O ATOM 0 H GLY A 105 4.863 8.960 10.789 1.00 73.11 H new ATOM 0 HA2 GLY A 105 5.468 11.600 11.376 1.00 55.20 H new ATOM 0 HA3 GLY A 105 6.226 11.233 9.839 1.00 55.20 H new ATOM 1547 N SER A 106 3.041 11.221 10.605 1.00 33.10 N ATOM 1548 CA SER A 106 1.676 11.432 10.098 1.00 13.40 C ATOM 1549 C SER A 106 1.477 12.853 9.534 1.00 55.42 C ATOM 1550 O SER A 106 0.378 13.374 9.569 1.00 43.41 O ATOM 1551 CB SER A 106 0.678 11.229 11.239 1.00 33.32 C ATOM 1552 OG SER A 106 0.762 9.937 11.794 1.00 2.23 O ATOM 0 H SER A 106 3.093 11.165 11.622 1.00 33.10 H new ATOM 0 HA SER A 106 1.514 10.715 9.293 1.00 13.40 H new ATOM 0 HB2 SER A 106 0.862 11.970 12.017 1.00 33.32 H new ATOM 0 HB3 SER A 106 -0.333 11.399 10.870 1.00 33.32 H new ATOM 0 HG SER A 106 0.109 9.850 12.520 1.00 2.23 H new ATOM 1558 N LEU A 107 2.517 13.426 8.941 1.00 11.45 N ATOM 1559 CA LEU A 107 2.487 14.792 8.425 1.00 23.33 C ATOM 1560 C LEU A 107 1.452 14.868 7.325 1.00 60.43 C ATOM 1561 O LEU A 107 0.630 15.769 7.289 1.00 12.22 O ATOM 1562 CB LEU A 107 3.880 15.148 7.855 1.00 12.21 C ATOM 1563 CG LEU A 107 4.227 16.643 7.630 1.00 13.44 C ATOM 1564 CD1 LEU A 107 5.649 16.768 7.174 1.00 43.11 C ATOM 1565 CD2 LEU A 107 3.335 17.301 6.602 1.00 44.22 C ATOM 0 H LEU A 107 3.411 12.955 8.803 1.00 11.45 H new ATOM 0 HA LEU A 107 2.233 15.493 9.220 1.00 23.33 H new ATOM 0 HB2 LEU A 107 4.630 14.731 8.527 1.00 12.21 H new ATOM 0 HB3 LEU A 107 3.988 14.635 6.899 1.00 12.21 H new ATOM 0 HG LEU A 107 4.073 17.149 8.583 1.00 13.44 H new ATOM 0 HD11 LEU A 107 5.890 17.819 7.017 1.00 43.11 H new ATOM 0 HD12 LEU A 107 6.312 16.354 7.933 1.00 43.11 H new ATOM 0 HD13 LEU A 107 5.781 16.222 6.240 1.00 43.11 H new ATOM 0 HD21 LEU A 107 3.623 18.346 6.486 1.00 44.22 H new ATOM 0 HD22 LEU A 107 3.440 16.787 5.647 1.00 44.22 H new ATOM 0 HD23 LEU A 107 2.298 17.246 6.932 1.00 44.22 H new ATOM 1577 N ASN A 108 1.458 13.849 6.502 1.00 23.33 N ATOM 1578 CA ASN A 108 0.628 13.793 5.321 1.00 12.33 C ATOM 1579 C ASN A 108 -0.749 13.228 5.693 1.00 32.15 C ATOM 1580 O ASN A 108 -1.650 13.191 4.888 1.00 15.22 O ATOM 1581 CB ASN A 108 1.329 12.888 4.281 1.00 14.23 C ATOM 1582 CG ASN A 108 0.747 12.957 2.873 1.00 74.23 C ATOM 1583 OD1 ASN A 108 0.260 13.985 2.427 1.00 71.23 O ATOM 1584 ND2 ASN A 108 0.824 11.862 2.154 1.00 61.35 N ATOM 0 H ASN A 108 2.045 13.025 6.633 1.00 23.33 H new ATOM 0 HA ASN A 108 0.486 14.788 4.899 1.00 12.33 H new ATOM 0 HB2 ASN A 108 2.383 13.160 4.236 1.00 14.23 H new ATOM 0 HB3 ASN A 108 1.281 11.856 4.628 1.00 14.23 H new ATOM 0 HD21 ASN A 108 0.472 11.855 1.197 1.00 61.35 H new ATOM 0 HD22 ASN A 108 1.236 11.018 2.552 1.00 61.35 H new ATOM 1591 N GLY A 109 -0.897 12.830 6.946 1.00 52.31 N ATOM 1592 CA GLY A 109 -2.148 12.289 7.409 1.00 71.20 C ATOM 1593 C GLY A 109 -2.265 10.808 7.167 1.00 50.34 C ATOM 1594 O GLY A 109 -2.713 10.379 6.098 1.00 61.35 O ATOM 0 H GLY A 109 -0.164 12.874 7.653 1.00 52.31 H new ATOM 0 HA2 GLY A 109 -2.253 12.488 8.475 1.00 71.20 H new ATOM 0 HA3 GLY A 109 -2.969 12.801 6.907 1.00 71.20 H new ATOM 1598 N THR A 110 -1.809 10.031 8.116 1.00 1.41 N ATOM 1599 CA THR A 110 -1.907 8.597 8.040 1.00 31.40 C ATOM 1600 C THR A 110 -3.254 8.131 8.616 1.00 74.20 C ATOM 1601 O THR A 110 -3.613 8.481 9.756 1.00 31.31 O ATOM 1602 CB THR A 110 -0.783 8.014 8.893 1.00 63.21 C ATOM 1603 OG1 THR A 110 0.404 8.765 8.609 1.00 71.44 O ATOM 1604 CG2 THR A 110 -0.545 6.544 8.559 1.00 45.11 C ATOM 0 H THR A 110 -1.359 10.376 8.964 1.00 1.41 H new ATOM 0 HA THR A 110 -1.831 8.270 7.003 1.00 31.40 H new ATOM 0 HB THR A 110 -1.051 8.076 9.948 1.00 63.21 H new ATOM 0 HG1 THR A 110 0.452 8.950 7.648 1.00 71.44 H new ATOM 0 HG21 THR A 110 0.261 6.155 9.182 1.00 45.11 H new ATOM 0 HG22 THR A 110 -1.456 5.976 8.748 1.00 45.11 H new ATOM 0 HG23 THR A 110 -0.270 6.450 7.509 1.00 45.11 H new ATOM 1612 N TYR A 111 -3.982 7.343 7.864 1.00 14.04 N ATOM 1613 CA TYR A 111 -5.224 6.779 8.341 1.00 70.23 C ATOM 1614 C TYR A 111 -5.309 5.336 7.960 1.00 14.30 C ATOM 1615 O TYR A 111 -4.898 4.960 6.873 1.00 62.12 O ATOM 1616 CB TYR A 111 -6.453 7.490 7.762 1.00 43.24 C ATOM 1617 CG TYR A 111 -6.559 8.955 8.070 1.00 20.52 C ATOM 1618 CD1 TYR A 111 -7.196 9.387 9.217 1.00 34.52 C ATOM 1619 CD2 TYR A 111 -6.033 9.905 7.214 1.00 34.35 C ATOM 1620 CE1 TYR A 111 -7.302 10.723 9.510 1.00 22.21 C ATOM 1621 CE2 TYR A 111 -6.133 11.244 7.497 1.00 2.04 C ATOM 1622 CZ TYR A 111 -6.772 11.648 8.651 1.00 34.12 C ATOM 1623 OH TYR A 111 -6.881 12.986 8.941 1.00 51.42 O ATOM 0 H TYR A 111 -3.735 7.075 6.911 1.00 14.04 H new ATOM 0 HA TYR A 111 -5.225 6.904 9.424 1.00 70.23 H new ATOM 0 HB2 TYR A 111 -6.447 7.364 6.679 1.00 43.24 H new ATOM 0 HB3 TYR A 111 -7.348 6.993 8.136 1.00 43.24 H new ATOM 0 HD1 TYR A 111 -7.618 8.660 9.895 1.00 34.52 H new ATOM 0 HD2 TYR A 111 -5.536 9.588 6.309 1.00 34.35 H new ATOM 0 HE1 TYR A 111 -7.801 11.043 10.413 1.00 22.21 H new ATOM 0 HE2 TYR A 111 -5.715 11.976 6.822 1.00 2.04 H new ATOM 0 HH TYR A 111 -5.986 13.378 9.019 1.00 51.42 H new ATOM 1633 N VAL A 112 -5.834 4.540 8.830 1.00 21.44 N ATOM 1634 CA VAL A 112 -6.122 3.167 8.525 1.00 34.23 C ATOM 1635 C VAL A 112 -7.604 3.012 8.736 1.00 53.55 C ATOM 1636 O VAL A 112 -8.093 3.245 9.846 1.00 13.30 O ATOM 1637 CB VAL A 112 -5.330 2.164 9.414 1.00 55.52 C ATOM 1638 CG1 VAL A 112 -5.685 0.727 9.043 1.00 72.25 C ATOM 1639 CG2 VAL A 112 -3.828 2.377 9.256 1.00 12.20 C ATOM 0 H VAL A 112 -6.079 4.819 9.780 1.00 21.44 H new ATOM 0 HA VAL A 112 -5.818 2.936 7.504 1.00 34.23 H new ATOM 0 HB VAL A 112 -5.606 2.343 10.453 1.00 55.52 H new ATOM 0 HG11 VAL A 112 -5.123 0.039 9.674 1.00 72.25 H new ATOM 0 HG12 VAL A 112 -6.753 0.566 9.192 1.00 72.25 H new ATOM 0 HG13 VAL A 112 -5.434 0.548 7.997 1.00 72.25 H new ATOM 0 HG21 VAL A 112 -3.292 1.667 9.885 1.00 12.20 H new ATOM 0 HG22 VAL A 112 -3.546 2.224 8.214 1.00 12.20 H new ATOM 0 HG23 VAL A 112 -3.571 3.393 9.556 1.00 12.20 H new ATOM 1649 N ASN A 113 -8.313 2.680 7.671 1.00 12.22 N ATOM 1650 CA ASN A 113 -9.792 2.636 7.649 1.00 1.10 C ATOM 1651 C ASN A 113 -10.363 3.988 8.056 1.00 33.03 C ATOM 1652 O ASN A 113 -11.382 4.084 8.750 1.00 71.12 O ATOM 1653 CB ASN A 113 -10.357 1.524 8.549 1.00 0.13 C ATOM 1654 CG ASN A 113 -10.164 0.118 8.006 1.00 3.42 C ATOM 1655 OD1 ASN A 113 -9.195 -0.185 7.300 1.00 14.33 O ATOM 1656 ND2 ASN A 113 -11.088 -0.752 8.336 1.00 60.04 N ATOM 0 H ASN A 113 -7.887 2.428 6.779 1.00 12.22 H new ATOM 0 HA ASN A 113 -10.095 2.407 6.627 1.00 1.10 H new ATOM 0 HB2 ASN A 113 -9.883 1.590 9.528 1.00 0.13 H new ATOM 0 HB3 ASN A 113 -11.422 1.700 8.698 1.00 0.13 H new ATOM 0 HD21 ASN A 113 -11.021 -1.716 8.008 1.00 60.04 H new ATOM 0 HD22 ASN A 113 -11.873 -0.465 8.920 1.00 60.04 H new ATOM 1663 N ARG A 114 -9.684 5.037 7.584 1.00 74.14 N ATOM 1664 CA ARG A 114 -10.039 6.444 7.827 1.00 23.53 C ATOM 1665 C ARG A 114 -9.985 6.856 9.295 1.00 10.42 C ATOM 1666 O ARG A 114 -10.453 7.932 9.673 1.00 71.45 O ATOM 1667 CB ARG A 114 -11.351 6.816 7.159 1.00 71.12 C ATOM 1668 CG ARG A 114 -11.226 6.808 5.654 1.00 14.15 C ATOM 1669 CD ARG A 114 -12.528 7.116 4.974 1.00 52.40 C ATOM 1670 NE ARG A 114 -13.534 6.083 5.193 1.00 20.34 N ATOM 1671 CZ ARG A 114 -13.854 5.149 4.305 1.00 52.15 C ATOM 1672 NH1 ARG A 114 -13.234 5.092 3.158 1.00 52.23 N ATOM 1673 NH2 ARG A 114 -14.797 4.266 4.574 1.00 15.34 N ATOM 0 H ARG A 114 -8.850 4.932 7.007 1.00 74.14 H new ATOM 0 HA ARG A 114 -9.255 7.033 7.350 1.00 23.53 H new ATOM 0 HB2 ARG A 114 -12.128 6.115 7.465 1.00 71.12 H new ATOM 0 HB3 ARG A 114 -11.664 7.805 7.494 1.00 71.12 H new ATOM 0 HG2 ARG A 114 -10.477 7.540 5.350 1.00 14.15 H new ATOM 0 HG3 ARG A 114 -10.869 5.832 5.326 1.00 14.15 H new ATOM 0 HD2 ARG A 114 -12.907 8.070 5.339 1.00 52.40 H new ATOM 0 HD3 ARG A 114 -12.356 7.230 3.904 1.00 52.40 H new ATOM 0 HE ARG A 114 -14.024 6.078 6.087 1.00 20.34 H new ATOM 0 HH11 ARG A 114 -12.500 5.767 2.941 1.00 52.23 H new ATOM 0 HH12 ARG A 114 -13.483 4.373 2.479 1.00 52.23 H new ATOM 0 HH21 ARG A 114 -15.285 4.298 5.469 1.00 15.34 H new ATOM 0 HH22 ARG A 114 -15.037 3.551 3.887 1.00 15.34 H new ATOM 1687 N GLU A 115 -9.392 6.021 10.100 1.00 32.34 N ATOM 1688 CA GLU A 115 -9.136 6.340 11.470 1.00 54.32 C ATOM 1689 C GLU A 115 -7.664 6.661 11.574 1.00 3.20 C ATOM 1690 O GLU A 115 -6.841 5.906 11.031 1.00 33.01 O ATOM 1691 CB GLU A 115 -9.454 5.154 12.377 1.00 24.22 C ATOM 1692 CG GLU A 115 -10.909 4.722 12.389 1.00 51.03 C ATOM 1693 CD GLU A 115 -11.136 3.547 13.306 1.00 42.40 C ATOM 1694 OE1 GLU A 115 -10.936 3.690 14.539 1.00 73.43 O ATOM 1695 OE2 GLU A 115 -11.482 2.453 12.829 1.00 14.51 O ATOM 0 H GLU A 115 -9.072 5.094 9.819 1.00 32.34 H new ATOM 0 HA GLU A 115 -9.760 7.177 11.784 1.00 54.32 H new ATOM 0 HB2 GLU A 115 -8.842 4.306 12.068 1.00 24.22 H new ATOM 0 HB3 GLU A 115 -9.158 5.406 13.395 1.00 24.22 H new ATOM 0 HG2 GLU A 115 -11.534 5.557 12.707 1.00 51.03 H new ATOM 0 HG3 GLU A 115 -11.219 4.459 11.378 1.00 51.03 H new ATOM 1702 N PRO A 116 -7.287 7.791 12.196 1.00 11.44 N ATOM 1703 CA PRO A 116 -5.882 8.140 12.359 1.00 5.12 C ATOM 1704 C PRO A 116 -5.175 7.059 13.162 1.00 72.45 C ATOM 1705 O PRO A 116 -5.580 6.730 14.284 1.00 13.41 O ATOM 1706 CB PRO A 116 -5.889 9.480 13.112 1.00 31.00 C ATOM 1707 CG PRO A 116 -7.295 9.693 13.581 1.00 21.04 C ATOM 1708 CD PRO A 116 -8.193 8.809 12.758 1.00 0.24 C ATOM 0 HA PRO A 116 -5.354 8.222 11.409 1.00 5.12 H new ATOM 0 HB2 PRO A 116 -5.198 9.456 13.955 1.00 31.00 H new ATOM 0 HB3 PRO A 116 -5.569 10.293 12.461 1.00 31.00 H new ATOM 0 HG2 PRO A 116 -7.386 9.450 14.640 1.00 21.04 H new ATOM 0 HG3 PRO A 116 -7.581 10.739 13.469 1.00 21.04 H new ATOM 0 HD2 PRO A 116 -8.972 8.354 13.370 1.00 0.24 H new ATOM 0 HD3 PRO A 116 -8.694 9.373 11.971 1.00 0.24 H new ATOM 1716 N ARG A 117 -4.145 6.503 12.592 1.00 61.23 N ATOM 1717 CA ARG A 117 -3.484 5.373 13.176 1.00 62.34 C ATOM 1718 C ARG A 117 -2.004 5.534 12.937 1.00 15.01 C ATOM 1719 O ARG A 117 -1.611 5.992 11.870 1.00 1.54 O ATOM 1720 CB ARG A 117 -3.975 4.104 12.459 1.00 23.33 C ATOM 1721 CG ARG A 117 -3.602 2.785 13.124 1.00 44.33 C ATOM 1722 CD ARG A 117 -4.420 2.559 14.380 1.00 32.34 C ATOM 1723 NE ARG A 117 -5.856 2.405 14.078 1.00 43.45 N ATOM 1724 CZ ARG A 117 -6.865 3.019 14.724 1.00 71.52 C ATOM 1725 NH1 ARG A 117 -6.614 3.941 15.646 1.00 60.21 N ATOM 1726 NH2 ARG A 117 -8.125 2.714 14.414 1.00 55.32 N ATOM 0 H ARG A 117 -3.741 6.820 11.711 1.00 61.23 H new ATOM 0 HA ARG A 117 -3.692 5.301 14.243 1.00 62.34 H new ATOM 0 HB2 ARG A 117 -5.061 4.153 12.375 1.00 23.33 H new ATOM 0 HB3 ARG A 117 -3.576 4.104 11.445 1.00 23.33 H new ATOM 0 HG2 ARG A 117 -3.765 1.963 12.427 1.00 44.33 H new ATOM 0 HG3 ARG A 117 -2.541 2.786 13.372 1.00 44.33 H new ATOM 0 HD2 ARG A 117 -4.059 1.668 14.894 1.00 32.34 H new ATOM 0 HD3 ARG A 117 -4.280 3.398 15.061 1.00 32.34 H new ATOM 0 HE ARG A 117 -6.106 1.779 13.313 1.00 43.45 H new ATOM 0 HH11 ARG A 117 -5.650 4.189 15.870 1.00 60.21 H new ATOM 0 HH12 ARG A 117 -7.385 4.401 16.130 1.00 60.21 H new ATOM 0 HH21 ARG A 117 -8.319 2.020 13.692 1.00 55.32 H new ATOM 0 HH22 ARG A 117 -8.895 3.175 14.899 1.00 55.32 H new ATOM 1740 N ASN A 118 -1.200 5.200 13.911 1.00 72.14 N ATOM 1741 CA ASN A 118 0.238 5.274 13.742 1.00 73.14 C ATOM 1742 C ASN A 118 0.815 3.889 13.576 1.00 55.02 C ATOM 1743 O ASN A 118 1.571 3.631 12.671 1.00 14.42 O ATOM 1744 CB ASN A 118 0.931 6.019 14.889 1.00 30.40 C ATOM 1745 CG ASN A 118 0.540 7.483 14.968 1.00 73.31 C ATOM 1746 OD1 ASN A 118 -0.421 7.845 15.649 1.00 30.12 O ATOM 1747 ND2 ASN A 118 1.254 8.334 14.276 1.00 1.33 N ATOM 0 H ASN A 118 -1.508 4.875 14.827 1.00 72.14 H new ATOM 0 HA ASN A 118 0.427 5.852 12.838 1.00 73.14 H new ATOM 0 HB2 ASN A 118 0.685 5.532 15.832 1.00 30.40 H new ATOM 0 HB3 ASN A 118 2.011 5.944 14.764 1.00 30.40 H new ATOM 0 HD21 ASN A 118 1.020 9.327 14.291 1.00 1.33 H new ATOM 0 HD22 ASN A 118 2.044 8.004 13.721 1.00 1.33 H new ATOM 1754 N ALA A 119 0.424 2.983 14.410 1.00 4.34 N ATOM 1755 CA ALA A 119 0.903 1.643 14.293 1.00 32.14 C ATOM 1756 C ALA A 119 -0.263 0.732 14.083 1.00 42.01 C ATOM 1757 O ALA A 119 -1.315 0.883 14.724 1.00 65.12 O ATOM 1758 CB ALA A 119 1.706 1.234 15.514 1.00 73.24 C ATOM 0 H ALA A 119 -0.225 3.144 15.180 1.00 4.34 H new ATOM 0 HA ALA A 119 1.575 1.575 13.438 1.00 32.14 H new ATOM 0 HB1 ALA A 119 2.056 0.209 15.393 1.00 73.24 H new ATOM 0 HB2 ALA A 119 2.562 1.899 15.626 1.00 73.24 H new ATOM 0 HB3 ALA A 119 1.077 1.300 16.402 1.00 73.24 H new ATOM 1764 N GLN A 120 -0.109 -0.175 13.181 1.00 11.12 N ATOM 1765 CA GLN A 120 -1.161 -1.070 12.837 1.00 14.35 C ATOM 1766 C GLN A 120 -0.602 -2.401 12.416 1.00 73.12 C ATOM 1767 O GLN A 120 0.457 -2.465 11.796 1.00 43.34 O ATOM 1768 CB GLN A 120 -2.009 -0.484 11.679 1.00 40.22 C ATOM 1769 CG GLN A 120 -3.132 -1.410 11.219 1.00 74.55 C ATOM 1770 CD GLN A 120 -4.230 -1.589 12.253 1.00 52.10 C ATOM 1771 OE1 GLN A 120 -4.018 -1.430 13.447 1.00 12.42 O ATOM 1772 NE2 GLN A 120 -5.353 -2.039 11.821 1.00 35.13 N ATOM 0 H GLN A 120 0.755 -0.318 12.658 1.00 11.12 H new ATOM 0 HA GLN A 120 -1.792 -1.206 13.715 1.00 14.35 H new ATOM 0 HB2 GLN A 120 -2.439 0.465 11.998 1.00 40.22 H new ATOM 0 HB3 GLN A 120 -1.356 -0.270 10.833 1.00 40.22 H new ATOM 0 HG2 GLN A 120 -3.568 -1.012 10.303 1.00 74.55 H new ATOM 0 HG3 GLN A 120 -2.711 -2.385 10.975 1.00 74.55 H new ATOM 0 HE21 GLN A 120 -5.502 -2.162 10.819 1.00 35.13 H new ATOM 0 HE22 GLN A 120 -6.096 -2.274 12.480 1.00 35.13 H new ATOM 1781 N VAL A 121 -1.295 -3.450 12.765 1.00 43.42 N ATOM 1782 CA VAL A 121 -0.984 -4.750 12.261 1.00 71.44 C ATOM 1783 C VAL A 121 -1.862 -4.860 11.048 1.00 31.54 C ATOM 1784 O VAL A 121 -3.087 -4.842 11.167 1.00 14.45 O ATOM 1785 CB VAL A 121 -1.323 -5.879 13.279 1.00 2.34 C ATOM 1786 CG1 VAL A 121 -0.993 -7.253 12.702 1.00 30.44 C ATOM 1787 CG2 VAL A 121 -0.574 -5.663 14.589 1.00 72.32 C ATOM 0 H VAL A 121 -2.088 -3.423 13.405 1.00 43.42 H new ATOM 0 HA VAL A 121 0.080 -4.867 12.054 1.00 71.44 H new ATOM 0 HB VAL A 121 -2.394 -5.840 13.478 1.00 2.34 H new ATOM 0 HG11 VAL A 121 -1.239 -8.023 13.433 1.00 30.44 H new ATOM 0 HG12 VAL A 121 -1.574 -7.415 11.794 1.00 30.44 H new ATOM 0 HG13 VAL A 121 0.070 -7.303 12.466 1.00 30.44 H new ATOM 0 HG21 VAL A 121 -0.824 -6.462 15.287 1.00 72.32 H new ATOM 0 HG22 VAL A 121 0.499 -5.669 14.400 1.00 72.32 H new ATOM 0 HG23 VAL A 121 -0.861 -4.703 15.018 1.00 72.32 H new ATOM 1797 N MET A 122 -1.273 -4.930 9.903 1.00 23.42 N ATOM 1798 CA MET A 122 -2.032 -4.807 8.692 1.00 21.01 C ATOM 1799 C MET A 122 -2.513 -6.153 8.223 1.00 32.15 C ATOM 1800 O MET A 122 -1.743 -7.117 8.127 1.00 1.13 O ATOM 1801 CB MET A 122 -1.189 -4.094 7.627 1.00 53.03 C ATOM 1802 CG MET A 122 -1.896 -3.841 6.308 1.00 74.41 C ATOM 1803 SD MET A 122 -0.893 -2.883 5.142 1.00 1.51 S ATOM 1804 CE MET A 122 0.566 -3.910 4.988 1.00 33.21 C ATOM 0 H MET A 122 -0.271 -5.071 9.773 1.00 23.42 H new ATOM 0 HA MET A 122 -2.920 -4.204 8.881 1.00 21.01 H new ATOM 0 HB2 MET A 122 -0.854 -3.139 8.031 1.00 53.03 H new ATOM 0 HB3 MET A 122 -0.296 -4.689 7.434 1.00 53.03 H new ATOM 0 HG2 MET A 122 -2.159 -4.796 5.854 1.00 74.41 H new ATOM 0 HG3 MET A 122 -2.829 -3.311 6.498 1.00 74.41 H new ATOM 0 HE1 MET A 122 1.125 -3.617 4.099 1.00 33.21 H new ATOM 0 HE2 MET A 122 1.195 -3.784 5.869 1.00 33.21 H new ATOM 0 HE3 MET A 122 0.268 -4.955 4.902 1.00 33.21 H new ATOM 1814 N GLN A 123 -3.782 -6.216 7.954 1.00 45.42 N ATOM 1815 CA GLN A 123 -4.433 -7.401 7.507 1.00 32.13 C ATOM 1816 C GLN A 123 -5.225 -7.082 6.277 1.00 61.11 C ATOM 1817 O GLN A 123 -5.517 -5.918 6.003 1.00 34.54 O ATOM 1818 CB GLN A 123 -5.345 -7.986 8.586 1.00 25.32 C ATOM 1819 CG GLN A 123 -4.619 -8.436 9.846 1.00 32.11 C ATOM 1820 CD GLN A 123 -5.556 -9.035 10.864 1.00 25.34 C ATOM 1821 OE1 GLN A 123 -6.727 -8.671 10.942 1.00 41.32 O ATOM 1822 NE2 GLN A 123 -5.068 -9.959 11.643 1.00 62.01 N ATOM 0 H GLN A 123 -4.409 -5.416 8.044 1.00 45.42 H new ATOM 0 HA GLN A 123 -3.676 -8.152 7.283 1.00 32.13 H new ATOM 0 HB2 GLN A 123 -6.091 -7.239 8.858 1.00 25.32 H new ATOM 0 HB3 GLN A 123 -5.883 -8.837 8.168 1.00 25.32 H new ATOM 0 HG2 GLN A 123 -3.857 -9.169 9.581 1.00 32.11 H new ATOM 0 HG3 GLN A 123 -4.102 -7.584 10.288 1.00 32.11 H new ATOM 0 HE21 GLN A 123 -4.091 -10.239 11.553 1.00 62.01 H new ATOM 0 HE22 GLN A 123 -5.663 -10.402 12.343 1.00 62.01 H new ATOM 1831 N THR A 124 -5.500 -8.087 5.504 1.00 61.25 N ATOM 1832 CA THR A 124 -6.288 -7.933 4.321 1.00 12.42 C ATOM 1833 C THR A 124 -7.677 -7.368 4.683 1.00 23.31 C ATOM 1834 O THR A 124 -8.332 -7.824 5.635 1.00 25.15 O ATOM 1835 CB THR A 124 -6.405 -9.282 3.571 1.00 52.13 C ATOM 1836 OG1 THR A 124 -7.223 -9.157 2.402 1.00 53.05 O ATOM 1837 CG2 THR A 124 -6.939 -10.382 4.478 1.00 44.31 C ATOM 0 H THR A 124 -5.183 -9.041 5.677 1.00 61.25 H new ATOM 0 HA THR A 124 -5.797 -7.225 3.654 1.00 12.42 H new ATOM 0 HB THR A 124 -5.400 -9.563 3.257 1.00 52.13 H new ATOM 0 HG1 THR A 124 -8.168 -9.185 2.660 1.00 53.05 H new ATOM 0 HG21 THR A 124 -7.008 -11.314 3.918 1.00 44.31 H new ATOM 0 HG22 THR A 124 -6.264 -10.516 5.324 1.00 44.31 H new ATOM 0 HG23 THR A 124 -7.928 -10.104 4.843 1.00 44.31 H new ATOM 1845 N GLY A 125 -8.098 -6.385 3.935 1.00 72.34 N ATOM 1846 CA GLY A 125 -9.333 -5.716 4.212 1.00 74.13 C ATOM 1847 C GLY A 125 -9.110 -4.398 4.923 1.00 2.33 C ATOM 1848 O GLY A 125 -10.064 -3.664 5.192 1.00 52.41 O ATOM 0 H GLY A 125 -7.596 -6.029 3.122 1.00 72.34 H new ATOM 0 HA2 GLY A 125 -9.868 -5.540 3.279 1.00 74.13 H new ATOM 0 HA3 GLY A 125 -9.965 -6.358 4.826 1.00 74.13 H new ATOM 1852 N ASP A 126 -7.868 -4.107 5.266 1.00 30.03 N ATOM 1853 CA ASP A 126 -7.525 -2.809 5.817 1.00 13.44 C ATOM 1854 C ASP A 126 -7.192 -1.865 4.691 1.00 32.10 C ATOM 1855 O ASP A 126 -6.570 -2.261 3.691 1.00 45.45 O ATOM 1856 CB ASP A 126 -6.332 -2.848 6.807 1.00 4.11 C ATOM 1857 CG ASP A 126 -6.631 -3.489 8.151 1.00 54.54 C ATOM 1858 OD1 ASP A 126 -7.623 -3.091 8.815 1.00 12.15 O ATOM 1859 OD2 ASP A 126 -5.844 -4.347 8.605 1.00 14.41 O ATOM 0 H ASP A 126 -7.082 -4.750 5.173 1.00 30.03 H new ATOM 0 HA ASP A 126 -8.395 -2.471 6.381 1.00 13.44 H new ATOM 0 HB2 ASP A 126 -5.509 -3.389 6.339 1.00 4.11 H new ATOM 0 HB3 ASP A 126 -5.987 -1.828 6.977 1.00 4.11 H new ATOM 1864 N GLU A 127 -7.625 -0.654 4.812 1.00 4.04 N ATOM 1865 CA GLU A 127 -7.295 0.354 3.848 1.00 0.23 C ATOM 1866 C GLU A 127 -6.493 1.434 4.529 1.00 0.24 C ATOM 1867 O GLU A 127 -6.717 1.741 5.703 1.00 34.24 O ATOM 1868 CB GLU A 127 -8.532 0.944 3.168 1.00 24.23 C ATOM 1869 CG GLU A 127 -9.566 1.477 4.125 1.00 74.54 C ATOM 1870 CD GLU A 127 -10.585 2.343 3.453 1.00 25.43 C ATOM 1871 OE1 GLU A 127 -11.214 1.910 2.459 1.00 74.22 O ATOM 1872 OE2 GLU A 127 -10.807 3.464 3.932 1.00 25.33 O ATOM 0 H GLU A 127 -8.216 -0.331 5.578 1.00 4.04 H new ATOM 0 HA GLU A 127 -6.705 -0.110 3.057 1.00 0.23 H new ATOM 0 HB2 GLU A 127 -8.219 1.749 2.504 1.00 24.23 H new ATOM 0 HB3 GLU A 127 -8.991 0.177 2.545 1.00 24.23 H new ATOM 0 HG2 GLU A 127 -10.070 0.641 4.611 1.00 74.54 H new ATOM 0 HG3 GLU A 127 -9.069 2.049 4.908 1.00 74.54 H new ATOM 1879 N ILE A 128 -5.572 1.998 3.831 1.00 14.50 N ATOM 1880 CA ILE A 128 -4.716 3.000 4.391 1.00 61.11 C ATOM 1881 C ILE A 128 -4.788 4.244 3.541 1.00 70.54 C ATOM 1882 O ILE A 128 -4.632 4.183 2.326 1.00 50.13 O ATOM 1883 CB ILE A 128 -3.239 2.502 4.491 1.00 50.43 C ATOM 1884 CG1 ILE A 128 -3.172 1.212 5.331 1.00 63.34 C ATOM 1885 CG2 ILE A 128 -2.335 3.583 5.097 1.00 42.25 C ATOM 1886 CD1 ILE A 128 -1.790 0.619 5.461 1.00 54.14 C ATOM 0 H ILE A 128 -5.385 1.782 2.852 1.00 14.50 H new ATOM 0 HA ILE A 128 -5.057 3.220 5.403 1.00 61.11 H new ATOM 0 HB ILE A 128 -2.880 2.288 3.484 1.00 50.43 H new ATOM 0 HG12 ILE A 128 -3.558 1.423 6.328 1.00 63.34 H new ATOM 0 HG13 ILE A 128 -3.832 0.468 4.884 1.00 63.34 H new ATOM 0 HG21 ILE A 128 -1.312 3.211 5.156 1.00 42.25 H new ATOM 0 HG22 ILE A 128 -2.362 4.474 4.469 1.00 42.25 H new ATOM 0 HG23 ILE A 128 -2.688 3.834 6.097 1.00 42.25 H new ATOM 0 HD11 ILE A 128 -1.838 -0.285 6.068 1.00 54.14 H new ATOM 0 HD12 ILE A 128 -1.405 0.372 4.471 1.00 54.14 H new ATOM 0 HD13 ILE A 128 -1.127 1.341 5.938 1.00 54.14 H new ATOM 1898 N GLN A 129 -5.053 5.351 4.162 1.00 11.24 N ATOM 1899 CA GLN A 129 -5.093 6.599 3.468 1.00 74.14 C ATOM 1900 C GLN A 129 -3.838 7.341 3.817 1.00 62.21 C ATOM 1901 O GLN A 129 -3.541 7.549 5.000 1.00 24.12 O ATOM 1902 CB GLN A 129 -6.312 7.447 3.870 1.00 25.31 C ATOM 1903 CG GLN A 129 -6.467 8.723 3.038 1.00 64.22 C ATOM 1904 CD GLN A 129 -7.530 9.677 3.564 1.00 52.40 C ATOM 1905 OE1 GLN A 129 -8.522 9.269 4.185 1.00 71.33 O ATOM 1906 NE2 GLN A 129 -7.340 10.951 3.313 1.00 12.04 N ATOM 0 H GLN A 129 -5.247 5.415 5.161 1.00 11.24 H new ATOM 0 HA GLN A 129 -5.173 6.410 2.397 1.00 74.14 H new ATOM 0 HB2 GLN A 129 -7.214 6.844 3.768 1.00 25.31 H new ATOM 0 HB3 GLN A 129 -6.226 7.717 4.923 1.00 25.31 H new ATOM 0 HG2 GLN A 129 -5.510 9.243 3.007 1.00 64.22 H new ATOM 0 HG3 GLN A 129 -6.714 8.449 2.013 1.00 64.22 H new ATOM 0 HE21 GLN A 129 -6.512 11.252 2.799 1.00 12.04 H new ATOM 0 HE22 GLN A 129 -8.020 11.641 3.632 1.00 12.04 H new ATOM 1915 N ILE A 130 -3.086 7.678 2.825 1.00 44.01 N ATOM 1916 CA ILE A 130 -1.897 8.438 3.008 1.00 13.51 C ATOM 1917 C ILE A 130 -2.115 9.734 2.280 1.00 14.14 C ATOM 1918 O ILE A 130 -2.004 9.787 1.052 1.00 51.22 O ATOM 1919 CB ILE A 130 -0.656 7.704 2.403 1.00 35.54 C ATOM 1920 CG1 ILE A 130 -0.473 6.319 3.051 1.00 62.51 C ATOM 1921 CG2 ILE A 130 0.612 8.547 2.548 1.00 25.22 C ATOM 1922 CD1 ILE A 130 0.709 5.528 2.516 1.00 50.22 C ATOM 0 H ILE A 130 -3.281 7.431 1.855 1.00 44.01 H new ATOM 0 HA ILE A 130 -1.699 8.588 4.069 1.00 13.51 H new ATOM 0 HB ILE A 130 -0.838 7.561 1.338 1.00 35.54 H new ATOM 0 HG12 ILE A 130 -0.352 6.448 4.127 1.00 62.51 H new ATOM 0 HG13 ILE A 130 -1.382 5.737 2.900 1.00 62.51 H new ATOM 0 HG21 ILE A 130 1.457 8.010 2.118 1.00 25.22 H new ATOM 0 HG22 ILE A 130 0.481 9.495 2.026 1.00 25.22 H new ATOM 0 HG23 ILE A 130 0.803 8.738 3.604 1.00 25.22 H new ATOM 0 HD11 ILE A 130 0.764 4.566 3.026 1.00 50.22 H new ATOM 0 HD12 ILE A 130 0.583 5.364 1.446 1.00 50.22 H new ATOM 0 HD13 ILE A 130 1.629 6.085 2.692 1.00 50.22 H new ATOM 1934 N GLY A 131 -2.423 10.769 3.015 1.00 34.21 N ATOM 1935 CA GLY A 131 -2.726 12.044 2.409 1.00 51.22 C ATOM 1936 C GLY A 131 -3.907 11.960 1.465 1.00 5.24 C ATOM 1937 O GLY A 131 -5.032 11.711 1.882 1.00 12.43 O ATOM 0 H GLY A 131 -2.472 10.758 4.034 1.00 34.21 H new ATOM 0 HA2 GLY A 131 -2.938 12.775 3.190 1.00 51.22 H new ATOM 0 HA3 GLY A 131 -1.852 12.403 1.865 1.00 51.22 H new ATOM 1941 N LYS A 132 -3.624 12.107 0.197 1.00 20.22 N ATOM 1942 CA LYS A 132 -4.633 12.071 -0.848 1.00 10.24 C ATOM 1943 C LYS A 132 -4.705 10.669 -1.477 1.00 22.13 C ATOM 1944 O LYS A 132 -5.542 10.403 -2.337 1.00 42.42 O ATOM 1945 CB LYS A 132 -4.278 13.104 -1.928 1.00 30.44 C ATOM 1946 CG LYS A 132 -2.900 12.871 -2.527 1.00 51.45 C ATOM 1947 CD LYS A 132 -2.535 13.879 -3.592 1.00 21.10 C ATOM 1948 CE LYS A 132 -1.146 13.574 -4.113 1.00 32.13 C ATOM 1949 NZ LYS A 132 -0.716 14.486 -5.171 1.00 12.20 N ATOM 0 H LYS A 132 -2.677 12.257 -0.151 1.00 20.22 H new ATOM 0 HA LYS A 132 -5.604 12.308 -0.414 1.00 10.24 H new ATOM 0 HB2 LYS A 132 -5.026 13.068 -2.720 1.00 30.44 H new ATOM 0 HB3 LYS A 132 -4.319 14.104 -1.497 1.00 30.44 H new ATOM 0 HG2 LYS A 132 -2.155 12.906 -1.732 1.00 51.45 H new ATOM 0 HG3 LYS A 132 -2.862 11.870 -2.956 1.00 51.45 H new ATOM 0 HD2 LYS A 132 -3.258 13.842 -4.407 1.00 21.10 H new ATOM 0 HD3 LYS A 132 -2.569 14.888 -3.181 1.00 21.10 H new ATOM 0 HE2 LYS A 132 -0.436 13.625 -3.288 1.00 32.13 H new ATOM 0 HE3 LYS A 132 -1.123 12.552 -4.491 1.00 32.13 H new ATOM 0 HZ1 LYS A 132 -0.748 13.995 -6.087 1.00 12.20 H new ATOM 0 HZ2 LYS A 132 -1.350 15.310 -5.198 1.00 12.20 H new ATOM 0 HZ3 LYS A 132 0.256 14.803 -4.982 1.00 12.20 H new ATOM 1963 N PHE A 133 -3.832 9.787 -1.042 1.00 52.03 N ATOM 1964 CA PHE A 133 -3.746 8.449 -1.596 1.00 30.12 C ATOM 1965 C PHE A 133 -4.552 7.502 -0.762 1.00 51.31 C ATOM 1966 O PHE A 133 -4.532 7.578 0.461 1.00 15.35 O ATOM 1967 CB PHE A 133 -2.298 7.943 -1.619 1.00 65.45 C ATOM 1968 CG PHE A 133 -1.347 8.776 -2.416 1.00 42.22 C ATOM 1969 CD1 PHE A 133 -0.718 9.860 -1.842 1.00 64.44 C ATOM 1970 CD2 PHE A 133 -1.068 8.465 -3.732 1.00 50.20 C ATOM 1971 CE1 PHE A 133 0.163 10.621 -2.557 1.00 71.13 C ATOM 1972 CE2 PHE A 133 -0.182 9.225 -4.459 1.00 35.51 C ATOM 1973 CZ PHE A 133 0.435 10.307 -3.867 1.00 72.11 C ATOM 0 H PHE A 133 -3.162 9.974 -0.296 1.00 52.03 H new ATOM 0 HA PHE A 133 -4.128 8.493 -2.616 1.00 30.12 H new ATOM 0 HB2 PHE A 133 -1.934 7.885 -0.593 1.00 65.45 H new ATOM 0 HB3 PHE A 133 -2.290 6.929 -2.018 1.00 65.45 H new ATOM 0 HD1 PHE A 133 -0.925 10.111 -0.812 1.00 64.44 H new ATOM 0 HD2 PHE A 133 -1.550 7.617 -4.195 1.00 50.20 H new ATOM 0 HE1 PHE A 133 0.645 11.469 -2.093 1.00 71.13 H new ATOM 0 HE2 PHE A 133 0.030 8.976 -5.488 1.00 35.51 H new ATOM 0 HZ PHE A 133 1.132 10.908 -4.433 1.00 72.11 H new ATOM 1983 N ARG A 134 -5.243 6.620 -1.400 1.00 12.33 N ATOM 1984 CA ARG A 134 -5.993 5.626 -0.693 1.00 54.42 C ATOM 1985 C ARG A 134 -5.565 4.261 -1.188 1.00 22.25 C ATOM 1986 O ARG A 134 -5.675 3.958 -2.387 1.00 74.20 O ATOM 1987 CB ARG A 134 -7.499 5.855 -0.874 1.00 12.31 C ATOM 1988 CG ARG A 134 -8.386 4.893 -0.095 1.00 72.03 C ATOM 1989 CD ARG A 134 -9.845 5.263 -0.260 1.00 12.21 C ATOM 1990 NE ARG A 134 -10.746 4.316 0.404 1.00 55.12 N ATOM 1991 CZ ARG A 134 -12.078 4.375 0.340 1.00 25.21 C ATOM 1992 NH1 ARG A 134 -12.689 5.500 -0.075 1.00 34.35 N ATOM 1993 NH2 ARG A 134 -12.792 3.366 0.820 1.00 44.41 N ATOM 0 H ARG A 134 -5.307 6.563 -2.416 1.00 12.33 H new ATOM 0 HA ARG A 134 -5.793 5.692 0.377 1.00 54.42 H new ATOM 0 HB2 ARG A 134 -7.737 6.874 -0.570 1.00 12.31 H new ATOM 0 HB3 ARG A 134 -7.741 5.774 -1.934 1.00 12.31 H new ATOM 0 HG2 ARG A 134 -8.222 3.874 -0.445 1.00 72.03 H new ATOM 0 HG3 ARG A 134 -8.117 4.915 0.961 1.00 72.03 H new ATOM 0 HD2 ARG A 134 -10.011 6.261 0.145 1.00 12.21 H new ATOM 0 HD3 ARG A 134 -10.087 5.306 -1.322 1.00 12.21 H new ATOM 0 HE ARG A 134 -10.328 3.563 0.950 1.00 55.12 H new ATOM 0 HH11 ARG A 134 -12.134 6.313 -0.343 1.00 34.35 H new ATOM 0 HH12 ARG A 134 -13.707 5.540 -0.122 1.00 34.35 H new ATOM 0 HH21 ARG A 134 -12.323 2.559 1.231 1.00 44.41 H new ATOM 0 HH22 ARG A 134 -13.811 3.397 0.778 1.00 44.41 H new ATOM 2007 N LEU A 135 -5.054 3.471 -0.287 1.00 1.21 N ATOM 2008 CA LEU A 135 -4.554 2.149 -0.580 1.00 45.20 C ATOM 2009 C LEU A 135 -5.479 1.141 0.034 1.00 12.41 C ATOM 2010 O LEU A 135 -5.947 1.338 1.147 1.00 75.12 O ATOM 2011 CB LEU A 135 -3.174 1.955 0.064 1.00 30.33 C ATOM 2012 CG LEU A 135 -2.114 3.000 -0.247 1.00 3.05 C ATOM 2013 CD1 LEU A 135 -0.841 2.706 0.524 1.00 61.14 C ATOM 2014 CD2 LEU A 135 -1.827 3.056 -1.727 1.00 41.21 C ATOM 0 H LEU A 135 -4.970 3.730 0.696 1.00 1.21 H new ATOM 0 HA LEU A 135 -4.487 2.026 -1.661 1.00 45.20 H new ATOM 0 HB2 LEU A 135 -3.307 1.919 1.145 1.00 30.33 H new ATOM 0 HB3 LEU A 135 -2.791 0.982 -0.243 1.00 30.33 H new ATOM 0 HG LEU A 135 -2.497 3.973 0.062 1.00 3.05 H new ATOM 0 HD11 LEU A 135 -0.092 3.462 0.291 1.00 61.14 H new ATOM 0 HD12 LEU A 135 -1.052 2.721 1.593 1.00 61.14 H new ATOM 0 HD13 LEU A 135 -0.464 1.723 0.242 1.00 61.14 H new ATOM 0 HD21 LEU A 135 -1.066 3.811 -1.922 1.00 41.21 H new ATOM 0 HD22 LEU A 135 -1.468 2.084 -2.065 1.00 41.21 H new ATOM 0 HD23 LEU A 135 -2.739 3.313 -2.265 1.00 41.21 H new ATOM 2026 N VAL A 136 -5.751 0.100 -0.673 1.00 53.24 N ATOM 2027 CA VAL A 136 -6.555 -0.989 -0.150 1.00 32.41 C ATOM 2028 C VAL A 136 -5.699 -2.247 -0.159 1.00 61.23 C ATOM 2029 O VAL A 136 -5.191 -2.645 -1.212 1.00 73.54 O ATOM 2030 CB VAL A 136 -7.864 -1.211 -0.969 1.00 41.35 C ATOM 2031 CG1 VAL A 136 -8.689 -2.351 -0.379 1.00 42.23 C ATOM 2032 CG2 VAL A 136 -8.700 0.063 -1.007 1.00 35.25 C ATOM 0 H VAL A 136 -5.430 -0.036 -1.632 1.00 53.24 H new ATOM 0 HA VAL A 136 -6.870 -0.740 0.863 1.00 32.41 H new ATOM 0 HB VAL A 136 -7.577 -1.476 -1.987 1.00 41.35 H new ATOM 0 HG11 VAL A 136 -9.596 -2.486 -0.968 1.00 42.23 H new ATOM 0 HG12 VAL A 136 -8.104 -3.271 -0.398 1.00 42.23 H new ATOM 0 HG13 VAL A 136 -8.956 -2.112 0.650 1.00 42.23 H new ATOM 0 HG21 VAL A 136 -9.608 -0.115 -1.583 1.00 35.25 H new ATOM 0 HG22 VAL A 136 -8.966 0.354 0.009 1.00 35.25 H new ATOM 0 HG23 VAL A 136 -8.124 0.862 -1.474 1.00 35.25 H new ATOM 2042 N PHE A 137 -5.508 -2.830 0.998 1.00 71.32 N ATOM 2043 CA PHE A 137 -4.655 -3.987 1.148 1.00 73.02 C ATOM 2044 C PHE A 137 -5.489 -5.265 1.132 1.00 75.33 C ATOM 2045 O PHE A 137 -6.342 -5.473 2.000 1.00 54.35 O ATOM 2046 CB PHE A 137 -3.876 -3.848 2.458 1.00 64.21 C ATOM 2047 CG PHE A 137 -2.907 -4.950 2.755 1.00 30.14 C ATOM 2048 CD1 PHE A 137 -1.714 -5.043 2.068 1.00 42.32 C ATOM 2049 CD2 PHE A 137 -3.175 -5.869 3.748 1.00 33.21 C ATOM 2050 CE1 PHE A 137 -0.811 -6.031 2.367 1.00 40.45 C ATOM 2051 CE2 PHE A 137 -2.278 -6.863 4.049 1.00 75.12 C ATOM 2052 CZ PHE A 137 -1.095 -6.941 3.360 1.00 12.32 C ATOM 0 H PHE A 137 -5.940 -2.516 1.867 1.00 71.32 H new ATOM 0 HA PHE A 137 -3.952 -4.047 0.317 1.00 73.02 H new ATOM 0 HB2 PHE A 137 -3.330 -2.905 2.437 1.00 64.21 H new ATOM 0 HB3 PHE A 137 -4.590 -3.785 3.279 1.00 64.21 H new ATOM 0 HD1 PHE A 137 -1.489 -4.331 1.288 1.00 42.32 H new ATOM 0 HD2 PHE A 137 -4.103 -5.805 4.296 1.00 33.21 H new ATOM 0 HE1 PHE A 137 0.121 -6.095 1.825 1.00 40.45 H new ATOM 0 HE2 PHE A 137 -2.503 -7.580 4.825 1.00 75.12 H new ATOM 0 HZ PHE A 137 -0.384 -7.719 3.597 1.00 12.32 H new ATOM 2062 N LEU A 138 -5.247 -6.108 0.155 1.00 30.45 N ATOM 2063 CA LEU A 138 -5.988 -7.344 -0.004 1.00 14.53 C ATOM 2064 C LEU A 138 -5.033 -8.497 -0.255 1.00 22.52 C ATOM 2065 O LEU A 138 -3.995 -8.335 -0.902 1.00 35.55 O ATOM 2066 CB LEU A 138 -6.996 -7.233 -1.164 1.00 52.00 C ATOM 2067 CG LEU A 138 -8.117 -6.195 -0.998 1.00 31.04 C ATOM 2068 CD1 LEU A 138 -8.946 -6.098 -2.266 1.00 73.12 C ATOM 2069 CD2 LEU A 138 -9.015 -6.546 0.187 1.00 35.32 C ATOM 0 H LEU A 138 -4.530 -5.958 -0.555 1.00 30.45 H new ATOM 0 HA LEU A 138 -6.541 -7.532 0.916 1.00 14.53 H new ATOM 0 HB2 LEU A 138 -6.445 -6.998 -2.074 1.00 52.00 H new ATOM 0 HB3 LEU A 138 -7.455 -8.211 -1.313 1.00 52.00 H new ATOM 0 HG LEU A 138 -7.652 -5.228 -0.805 1.00 31.04 H new ATOM 0 HD11 LEU A 138 -9.735 -5.358 -2.129 1.00 73.12 H new ATOM 0 HD12 LEU A 138 -8.307 -5.798 -3.096 1.00 73.12 H new ATOM 0 HD13 LEU A 138 -9.392 -7.068 -2.484 1.00 73.12 H new ATOM 0 HD21 LEU A 138 -9.800 -5.796 0.283 1.00 35.32 H new ATOM 0 HD22 LEU A 138 -9.466 -7.525 0.024 1.00 35.32 H new ATOM 0 HD23 LEU A 138 -8.420 -6.568 1.100 1.00 35.32 H new ATOM 2081 N ALA A 139 -5.354 -9.637 0.273 1.00 64.34 N ATOM 2082 CA ALA A 139 -4.542 -10.803 0.072 1.00 33.31 C ATOM 2083 C ALA A 139 -5.134 -11.671 -1.010 1.00 33.21 C ATOM 2084 O ALA A 139 -6.257 -12.140 -0.898 1.00 52.42 O ATOM 2085 CB ALA A 139 -4.396 -11.585 1.362 1.00 72.41 C ATOM 0 H ALA A 139 -6.180 -9.788 0.852 1.00 64.34 H new ATOM 0 HA ALA A 139 -3.549 -10.482 -0.243 1.00 33.31 H new ATOM 0 HB1 ALA A 139 -3.777 -12.465 1.186 1.00 72.41 H new ATOM 0 HB2 ALA A 139 -3.926 -10.956 2.118 1.00 72.41 H new ATOM 0 HB3 ALA A 139 -5.380 -11.898 1.711 1.00 72.41 H new ATOM 2091 N GLY A 140 -4.395 -11.884 -2.042 1.00 2.14 N ATOM 2092 CA GLY A 140 -4.863 -12.689 -3.120 1.00 14.10 C ATOM 2093 C GLY A 140 -3.716 -13.079 -3.980 1.00 34.42 C ATOM 2094 O GLY A 140 -2.587 -12.641 -3.709 1.00 1.31 O ATOM 0 H GLY A 140 -3.455 -11.509 -2.165 1.00 2.14 H new ATOM 0 HA2 GLY A 140 -5.361 -13.578 -2.734 1.00 14.10 H new ATOM 0 HA3 GLY A 140 -5.600 -12.139 -3.705 1.00 14.10 H new ATOM 2098 N PRO A 141 -3.920 -13.929 -4.986 1.00 12.45 N ATOM 2099 CA PRO A 141 -2.860 -14.275 -5.898 1.00 0.15 C ATOM 2100 C PRO A 141 -2.552 -13.088 -6.799 1.00 61.21 C ATOM 2101 O PRO A 141 -3.460 -12.380 -7.245 1.00 32.42 O ATOM 2102 CB PRO A 141 -3.434 -15.432 -6.726 1.00 12.31 C ATOM 2103 CG PRO A 141 -4.717 -15.815 -6.055 1.00 44.20 C ATOM 2104 CD PRO A 141 -5.183 -14.596 -5.325 1.00 21.30 C ATOM 0 HA PRO A 141 -1.935 -14.546 -5.390 1.00 0.15 H new ATOM 0 HB2 PRO A 141 -3.608 -15.126 -7.758 1.00 12.31 H new ATOM 0 HB3 PRO A 141 -2.742 -16.273 -6.755 1.00 12.31 H new ATOM 0 HG2 PRO A 141 -5.458 -16.138 -6.786 1.00 44.20 H new ATOM 0 HG3 PRO A 141 -4.564 -16.647 -5.367 1.00 44.20 H new ATOM 0 HD2 PRO A 141 -5.820 -13.968 -5.948 1.00 21.30 H new ATOM 0 HD3 PRO A 141 -5.759 -14.851 -4.436 1.00 21.30 H new ATOM 2112 N ALA A 142 -1.302 -12.893 -7.070 1.00 44.21 N ATOM 2113 CA ALA A 142 -0.842 -11.786 -7.886 1.00 53.23 C ATOM 2114 C ALA A 142 0.542 -12.110 -8.364 1.00 64.42 C ATOM 2115 O ALA A 142 1.341 -11.225 -8.662 1.00 34.00 O ATOM 2116 CB ALA A 142 -0.830 -10.497 -7.060 1.00 34.12 C ATOM 0 H ALA A 142 -0.553 -13.498 -6.733 1.00 44.21 H new ATOM 0 HA ALA A 142 -1.508 -11.637 -8.736 1.00 53.23 H new ATOM 0 HB1 ALA A 142 -0.483 -9.671 -7.680 1.00 34.12 H new ATOM 0 HB2 ALA A 142 -1.838 -10.285 -6.703 1.00 34.12 H new ATOM 0 HB3 ALA A 142 -0.161 -10.617 -6.208 1.00 34.12 H new ATOM 2122 N GLU A 143 0.802 -13.399 -8.452 1.00 51.44 N ATOM 2123 CA GLU A 143 2.058 -13.908 -8.831 1.00 1.10 C ATOM 2124 C GLU A 143 2.118 -13.949 -10.341 1.00 70.44 C ATOM 2125 O GLU A 143 1.582 -14.900 -10.932 1.00 37.50 O ATOM 2126 CB GLU A 143 2.202 -15.308 -8.264 1.00 54.52 C ATOM 2127 CG GLU A 143 2.075 -15.407 -6.754 1.00 74.42 C ATOM 2128 CD GLU A 143 2.264 -16.819 -6.260 1.00 73.42 C ATOM 2129 OE1 GLU A 143 1.282 -17.589 -6.239 1.00 10.10 O ATOM 2130 OE2 GLU A 143 3.395 -17.184 -5.887 1.00 43.12 O ATOM 2131 OXT GLU A 143 2.645 -13.011 -10.943 1.00 37.50 O ATOM 0 H GLU A 143 0.111 -14.122 -8.252 1.00 51.44 H new ATOM 0 HA GLU A 143 2.865 -13.282 -8.452 1.00 1.10 H new ATOM 0 HB2 GLU A 143 1.446 -15.947 -8.719 1.00 54.52 H new ATOM 0 HB3 GLU A 143 3.174 -15.704 -8.558 1.00 54.52 H new ATOM 0 HG2 GLU A 143 2.814 -14.757 -6.285 1.00 74.42 H new ATOM 0 HG3 GLU A 143 1.093 -15.045 -6.449 1.00 74.42 H new