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 113 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Set 1.2: A 123 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Set 2.1: A 86 SER OG : rot 3:sc= 1.6 USER MOD Set 2.2: A 108 ASN : amide:sc= -1.88 K(o=-0.27,f=-4.2!) USER MOD Set 3.1: A 106 SER OG : rot -3:sc= 0.898 USER MOD Set 3.2: A 118 ASN : amide:sc= -0.0572 X(o=0.84,f=0.91) USER MOD Set 4.1: A 89 HIS : no HD1:sc= -3.84! K(o=-2.8!,f=-3.3) USER MOD Set 4.2: A 110 THR OG1 : rot 106:sc= 1.06 USER MOD Set 5.1: A 65 GLN : amide:sc= 2 K(o=2,f=0.21) USER MOD Set 5.2: A 68 THR OG1 : rot -140:sc=-0.00139 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 143:sc= 1.26 (180deg=0.745) USER MOD Single : A 26 MET CE :methyl -172:sc= -0.571 (180deg=-0.737) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 70:sc= 0.395 USER MOD Single : A 30 THR OG1 : rot 87:sc= 1.16 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 46:sc= 0.382 USER MOD Single : A 37 THR OG1 : rot -32:sc= 0.437 USER MOD Single : A 41 ASN : amide:sc= -0.534 K(o=-0.53,f=-4.9!) USER MOD Single : A 46 SER OG : rot 180:sc= -0.416 USER MOD Single : A 52 LYS NZ :NH3+ 166:sc= -0.0131 (180deg=-0.226) USER MOD Single : A 56 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.7) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0933 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -3.9! C(o=-3.9!,f=-3.3!) USER MOD Single : A 76 SER OG : rot -68:sc= 1.26 USER MOD Single : A 84 THR OG1 : rot 180:sc=-0.00563 USER MOD Single : A 95 ASN : amide:sc= 0.421 K(o=0.42,f=-0.11) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.0475 USER MOD Single : A 120 GLN : amide:sc= 0.336 K(o=0.34,f=-2.5!) USER MOD Single : A 122 MET CE :methyl 163:sc= -0.201 (180deg=-1.13) USER MOD Single : A 124 THR OG1 : rot -160:sc= 0.928 USER MOD Single : A 129 GLN : amide:sc= 2.21 K(o=2.2,f=-4.5!) USER MOD Single : A 132 LYS NZ :NH3+ 143:sc= 0.0264 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 214 N SER A 16 6.464 18.137 7.824 1.00 10.33 N ATOM 215 CA SER A 16 5.837 19.247 8.476 1.00 34.34 C ATOM 216 C SER A 16 4.432 18.785 8.811 1.00 51.13 C ATOM 217 O SER A 16 3.945 17.838 8.178 1.00 54.13 O ATOM 218 CB SER A 16 5.825 20.463 7.513 1.00 54.25 C ATOM 219 OG SER A 16 5.387 21.671 8.147 1.00 65.33 O ATOM 0 HA SER A 16 6.361 19.560 9.379 1.00 34.34 H new ATOM 0 HB2 SER A 16 6.827 20.612 7.111 1.00 54.25 H new ATOM 0 HB3 SER A 16 5.172 20.245 6.668 1.00 54.25 H new ATOM 0 HG SER A 16 5.400 22.405 7.497 1.00 65.33 H new ATOM 225 N VAL A 17 3.803 19.364 9.804 1.00 31.30 N ATOM 226 CA VAL A 17 2.491 18.912 10.175 1.00 4.15 C ATOM 227 C VAL A 17 1.477 19.535 9.241 1.00 21.32 C ATOM 228 O VAL A 17 1.283 20.756 9.226 1.00 72.41 O ATOM 229 CB VAL A 17 2.135 19.325 11.638 1.00 13.40 C ATOM 230 CG1 VAL A 17 0.748 18.835 12.032 1.00 54.34 C ATOM 231 CG2 VAL A 17 3.172 18.815 12.620 1.00 32.04 C ATOM 0 H VAL A 17 4.172 20.136 10.360 1.00 31.30 H new ATOM 0 HA VAL A 17 2.474 17.824 10.108 1.00 4.15 H new ATOM 0 HB VAL A 17 2.134 20.414 11.674 1.00 13.40 H new ATOM 0 HG11 VAL A 17 0.532 19.139 13.056 1.00 54.34 H new ATOM 0 HG12 VAL A 17 0.005 19.266 11.361 1.00 54.34 H new ATOM 0 HG13 VAL A 17 0.713 17.748 11.962 1.00 54.34 H new ATOM 0 HG21 VAL A 17 2.897 19.118 13.630 1.00 32.04 H new ATOM 0 HG22 VAL A 17 3.219 17.727 12.568 1.00 32.04 H new ATOM 0 HG23 VAL A 17 4.147 19.232 12.369 1.00 32.04 H new ATOM 241 N PHE A 18 0.845 18.711 8.459 1.00 30.31 N ATOM 242 CA PHE A 18 -0.176 19.168 7.578 1.00 74.24 C ATOM 243 C PHE A 18 -1.466 18.501 7.931 1.00 24.41 C ATOM 244 O PHE A 18 -1.497 17.316 8.285 1.00 62.50 O ATOM 245 CB PHE A 18 0.180 19.044 6.068 1.00 24.43 C ATOM 246 CG PHE A 18 0.406 17.655 5.520 1.00 1.10 C ATOM 247 CD1 PHE A 18 -0.668 16.865 5.124 1.00 42.22 C ATOM 248 CD2 PHE A 18 1.687 17.154 5.370 1.00 63.23 C ATOM 249 CE1 PHE A 18 -0.468 15.607 4.600 1.00 73.51 C ATOM 250 CE2 PHE A 18 1.893 15.897 4.839 1.00 52.12 C ATOM 251 CZ PHE A 18 0.814 15.122 4.456 1.00 51.24 C ATOM 0 H PHE A 18 1.025 17.708 8.417 1.00 30.31 H new ATOM 0 HA PHE A 18 -0.281 20.243 7.724 1.00 74.24 H new ATOM 0 HB2 PHE A 18 -0.623 19.506 5.493 1.00 24.43 H new ATOM 0 HB3 PHE A 18 1.081 19.629 5.885 1.00 24.43 H new ATOM 0 HD1 PHE A 18 -1.674 17.244 5.229 1.00 42.22 H new ATOM 0 HD2 PHE A 18 2.534 17.753 5.671 1.00 63.23 H new ATOM 0 HE1 PHE A 18 -1.313 15.003 4.303 1.00 73.51 H new ATOM 0 HE2 PHE A 18 2.898 15.518 4.723 1.00 52.12 H new ATOM 0 HZ PHE A 18 0.976 14.137 4.044 1.00 51.24 H new ATOM 261 N ARG A 19 -2.498 19.252 7.871 1.00 22.34 N ATOM 262 CA ARG A 19 -3.791 18.825 8.280 1.00 74.23 C ATOM 263 C ARG A 19 -4.776 19.214 7.196 1.00 12.25 C ATOM 264 O ARG A 19 -4.663 20.297 6.608 1.00 52.43 O ATOM 265 CB ARG A 19 -4.090 19.459 9.651 1.00 30.11 C ATOM 266 CG ARG A 19 -3.992 20.984 9.676 1.00 44.31 C ATOM 267 CD ARG A 19 -3.859 21.527 11.095 1.00 11.41 C ATOM 268 NE ARG A 19 -4.910 21.054 11.995 1.00 11.33 N ATOM 269 CZ ARG A 19 -5.332 21.685 13.098 1.00 71.24 C ATOM 270 NH1 ARG A 19 -4.837 22.874 13.432 1.00 62.45 N ATOM 271 NH2 ARG A 19 -6.237 21.117 13.874 1.00 32.42 N ATOM 0 H ARG A 19 -2.472 20.212 7.526 1.00 22.34 H new ATOM 0 HA ARG A 19 -3.864 17.745 8.406 1.00 74.23 H new ATOM 0 HB2 ARG A 19 -5.093 19.166 9.962 1.00 30.11 H new ATOM 0 HB3 ARG A 19 -3.396 19.050 10.386 1.00 30.11 H new ATOM 0 HG2 ARG A 19 -3.133 21.301 9.085 1.00 44.31 H new ATOM 0 HG3 ARG A 19 -4.878 21.412 9.206 1.00 44.31 H new ATOM 0 HD2 ARG A 19 -2.888 21.238 11.498 1.00 11.41 H new ATOM 0 HD3 ARG A 19 -3.880 22.616 11.063 1.00 11.41 H new ATOM 0 HE ARG A 19 -5.360 20.168 11.763 1.00 11.33 H new ATOM 0 HH11 ARG A 19 -4.128 23.314 12.845 1.00 62.45 H new ATOM 0 HH12 ARG A 19 -5.166 23.345 14.275 1.00 62.45 H new ATOM 0 HH21 ARG A 19 -6.613 20.200 13.633 1.00 32.42 H new ATOM 0 HH22 ARG A 19 -6.560 21.595 14.715 1.00 32.42 H new ATOM 285 N ALA A 20 -5.701 18.352 6.884 1.00 63.20 N ATOM 286 CA ALA A 20 -6.579 18.606 5.759 1.00 60.34 C ATOM 287 C ALA A 20 -8.038 18.262 6.049 1.00 11.24 C ATOM 288 O ALA A 20 -8.364 17.652 7.072 1.00 41.33 O ATOM 289 CB ALA A 20 -6.072 17.851 4.539 1.00 24.21 C ATOM 0 H ALA A 20 -5.872 17.477 7.379 1.00 63.20 H new ATOM 0 HA ALA A 20 -6.559 19.678 5.563 1.00 60.34 H new ATOM 0 HB1 ALA A 20 -6.732 18.042 3.693 1.00 24.21 H new ATOM 0 HB2 ALA A 20 -5.064 18.187 4.296 1.00 24.21 H new ATOM 0 HB3 ALA A 20 -6.056 16.782 4.753 1.00 24.21 H new ATOM 295 N ASP A 21 -8.897 18.619 5.103 1.00 71.31 N ATOM 296 CA ASP A 21 -10.365 18.440 5.180 1.00 51.43 C ATOM 297 C ASP A 21 -10.750 16.964 4.991 1.00 54.14 C ATOM 298 O ASP A 21 -11.901 16.576 5.135 1.00 50.03 O ATOM 299 CB ASP A 21 -11.026 19.324 4.094 1.00 11.40 C ATOM 300 CG ASP A 21 -12.546 19.297 4.079 1.00 13.24 C ATOM 301 OD1 ASP A 21 -13.167 19.964 4.920 1.00 3.22 O ATOM 302 OD2 ASP A 21 -13.140 18.637 3.192 1.00 63.33 O ATOM 0 H ASP A 21 -8.596 19.055 4.231 1.00 71.31 H new ATOM 0 HA ASP A 21 -10.718 18.742 6.166 1.00 51.43 H new ATOM 0 HB2 ASP A 21 -10.698 20.354 4.236 1.00 11.40 H new ATOM 0 HB3 ASP A 21 -10.663 19.005 3.117 1.00 11.40 H new ATOM 307 N LEU A 22 -9.750 16.143 4.735 1.00 25.54 N ATOM 308 CA LEU A 22 -9.912 14.712 4.501 1.00 34.11 C ATOM 309 C LEU A 22 -10.604 13.991 5.672 1.00 43.03 C ATOM 310 O LEU A 22 -11.266 12.979 5.469 1.00 61.45 O ATOM 311 CB LEU A 22 -8.540 14.077 4.139 1.00 25.13 C ATOM 312 CG LEU A 22 -7.361 14.301 5.124 1.00 2.04 C ATOM 313 CD1 LEU A 22 -7.448 13.416 6.352 1.00 2.12 C ATOM 314 CD2 LEU A 22 -6.028 14.123 4.430 1.00 20.10 C ATOM 0 H LEU A 22 -8.780 16.454 4.682 1.00 25.54 H new ATOM 0 HA LEU A 22 -10.583 14.584 3.652 1.00 34.11 H new ATOM 0 HB2 LEU A 22 -8.686 13.002 4.029 1.00 25.13 H new ATOM 0 HB3 LEU A 22 -8.240 14.460 3.163 1.00 25.13 H new ATOM 0 HG LEU A 22 -7.439 15.332 5.469 1.00 2.04 H new ATOM 0 HD11 LEU A 22 -6.598 13.615 7.005 1.00 2.12 H new ATOM 0 HD12 LEU A 22 -8.374 13.626 6.887 1.00 2.12 H new ATOM 0 HD13 LEU A 22 -7.434 12.369 6.048 1.00 2.12 H new ATOM 0 HD21 LEU A 22 -5.221 14.286 5.145 1.00 20.10 H new ATOM 0 HD22 LEU A 22 -5.959 13.112 4.029 1.00 20.10 H new ATOM 0 HD23 LEU A 22 -5.943 14.843 3.616 1.00 20.10 H new ATOM 326 N LEU A 23 -10.486 14.552 6.881 1.00 12.40 N ATOM 327 CA LEU A 23 -11.100 13.981 8.074 1.00 0.45 C ATOM 328 C LEU A 23 -12.622 14.049 7.991 1.00 25.22 C ATOM 329 O LEU A 23 -13.326 13.207 8.547 1.00 20.31 O ATOM 330 CB LEU A 23 -10.624 14.718 9.321 1.00 4.04 C ATOM 331 CG LEU A 23 -9.142 14.608 9.677 1.00 50.13 C ATOM 332 CD1 LEU A 23 -8.850 15.451 10.900 1.00 42.53 C ATOM 333 CD2 LEU A 23 -8.751 13.154 9.938 1.00 32.23 C ATOM 0 H LEU A 23 -9.964 15.411 7.054 1.00 12.40 H new ATOM 0 HA LEU A 23 -10.799 12.935 8.136 1.00 0.45 H new ATOM 0 HB2 LEU A 23 -10.865 15.774 9.201 1.00 4.04 H new ATOM 0 HB3 LEU A 23 -11.203 14.354 10.170 1.00 4.04 H new ATOM 0 HG LEU A 23 -8.554 14.972 8.835 1.00 50.13 H new ATOM 0 HD11 LEU A 23 -7.793 15.372 11.153 1.00 42.53 H new ATOM 0 HD12 LEU A 23 -9.096 16.492 10.691 1.00 42.53 H new ATOM 0 HD13 LEU A 23 -9.451 15.097 11.738 1.00 42.53 H new ATOM 0 HD21 LEU A 23 -7.692 13.102 10.189 1.00 32.23 H new ATOM 0 HD22 LEU A 23 -9.340 12.762 10.767 1.00 32.23 H new ATOM 0 HD23 LEU A 23 -8.942 12.560 9.044 1.00 32.23 H new ATOM 345 N LYS A 24 -13.113 15.037 7.270 1.00 43.42 N ATOM 346 CA LYS A 24 -14.535 15.248 7.099 1.00 2.03 C ATOM 347 C LYS A 24 -15.136 14.108 6.285 1.00 53.13 C ATOM 348 O LYS A 24 -16.181 13.552 6.643 1.00 4.21 O ATOM 349 CB LYS A 24 -14.765 16.594 6.414 1.00 71.23 C ATOM 350 CG LYS A 24 -16.209 16.921 6.076 1.00 30.34 C ATOM 351 CD LYS A 24 -16.286 18.208 5.277 1.00 1.45 C ATOM 352 CE LYS A 24 -15.962 19.442 6.111 1.00 74.34 C ATOM 353 NZ LYS A 24 -15.719 20.625 5.261 1.00 61.45 N ATOM 0 H LYS A 24 -12.532 15.720 6.784 1.00 43.42 H new ATOM 0 HA LYS A 24 -15.027 15.262 8.071 1.00 2.03 H new ATOM 0 HB2 LYS A 24 -14.375 17.381 7.059 1.00 71.23 H new ATOM 0 HB3 LYS A 24 -14.181 16.617 5.494 1.00 71.23 H new ATOM 0 HG2 LYS A 24 -16.650 16.104 5.505 1.00 30.34 H new ATOM 0 HG3 LYS A 24 -16.791 17.019 6.993 1.00 30.34 H new ATOM 0 HD2 LYS A 24 -15.593 18.151 4.437 1.00 1.45 H new ATOM 0 HD3 LYS A 24 -17.287 18.311 4.858 1.00 1.45 H new ATOM 0 HE2 LYS A 24 -16.787 19.647 6.794 1.00 74.34 H new ATOM 0 HE3 LYS A 24 -15.082 19.247 6.724 1.00 74.34 H new ATOM 0 HZ1 LYS A 24 -16.108 21.471 5.724 1.00 61.45 H new ATOM 0 HZ2 LYS A 24 -14.696 20.747 5.120 1.00 61.45 H new ATOM 0 HZ3 LYS A 24 -16.182 20.491 4.339 1.00 61.45 H new ATOM 367 N GLU A 25 -14.456 13.743 5.217 1.00 22.23 N ATOM 368 CA GLU A 25 -14.894 12.647 4.375 1.00 21.45 C ATOM 369 C GLU A 25 -14.587 11.313 5.049 1.00 63.35 C ATOM 370 O GLU A 25 -15.336 10.338 4.902 1.00 3.13 O ATOM 371 CB GLU A 25 -14.223 12.711 3.007 1.00 64.10 C ATOM 372 CG GLU A 25 -14.632 11.580 2.093 1.00 74.35 C ATOM 373 CD GLU A 25 -13.978 11.640 0.752 1.00 23.44 C ATOM 374 OE1 GLU A 25 -12.763 11.365 0.654 1.00 53.12 O ATOM 375 OE2 GLU A 25 -14.683 11.906 -0.243 1.00 15.22 O ATOM 0 H GLU A 25 -13.593 14.192 4.910 1.00 22.23 H new ATOM 0 HA GLU A 25 -15.971 12.734 4.232 1.00 21.45 H new ATOM 0 HB2 GLU A 25 -14.469 13.661 2.532 1.00 64.10 H new ATOM 0 HB3 GLU A 25 -13.141 12.691 3.138 1.00 64.10 H new ATOM 0 HG2 GLU A 25 -14.385 10.631 2.568 1.00 74.35 H new ATOM 0 HG3 GLU A 25 -15.714 11.600 1.963 1.00 74.35 H new ATOM 382 N MET A 26 -13.503 11.288 5.816 1.00 75.22 N ATOM 383 CA MET A 26 -13.066 10.092 6.529 1.00 73.22 C ATOM 384 C MET A 26 -14.168 9.579 7.456 1.00 73.52 C ATOM 385 O MET A 26 -14.291 8.374 7.669 1.00 20.13 O ATOM 386 CB MET A 26 -11.767 10.365 7.295 1.00 52.22 C ATOM 387 CG MET A 26 -11.171 9.148 7.982 1.00 4.15 C ATOM 388 SD MET A 26 -9.580 9.492 8.772 1.00 64.45 S ATOM 389 CE MET A 26 -8.575 9.905 7.344 1.00 51.34 C ATOM 0 H MET A 26 -12.901 12.098 5.962 1.00 75.22 H new ATOM 0 HA MET A 26 -12.862 9.309 5.799 1.00 73.22 H new ATOM 0 HB2 MET A 26 -11.031 10.772 6.602 1.00 52.22 H new ATOM 0 HB3 MET A 26 -11.957 11.133 8.045 1.00 52.22 H new ATOM 0 HG2 MET A 26 -11.872 8.782 8.732 1.00 4.15 H new ATOM 0 HG3 MET A 26 -11.042 8.351 7.250 1.00 4.15 H new ATOM 0 HE1 MET A 26 -7.533 10.003 7.649 1.00 51.34 H new ATOM 0 HE2 MET A 26 -8.662 9.116 6.597 1.00 51.34 H new ATOM 0 HE3 MET A 26 -8.919 10.847 6.918 1.00 51.34 H new ATOM 399 N GLU A 27 -14.985 10.497 7.956 1.00 52.22 N ATOM 400 CA GLU A 27 -16.157 10.164 8.765 1.00 33.40 C ATOM 401 C GLU A 27 -17.097 9.226 7.995 1.00 23.41 C ATOM 402 O GLU A 27 -17.470 8.170 8.490 1.00 31.41 O ATOM 403 CB GLU A 27 -16.917 11.439 9.125 1.00 43.14 C ATOM 404 CG GLU A 27 -16.154 12.394 10.012 1.00 13.55 C ATOM 405 CD GLU A 27 -15.945 11.847 11.397 1.00 12.51 C ATOM 406 OE1 GLU A 27 -14.941 11.159 11.642 1.00 1.53 O ATOM 407 OE2 GLU A 27 -16.787 12.100 12.269 1.00 4.21 O ATOM 0 H GLU A 27 -14.855 11.499 7.813 1.00 52.22 H new ATOM 0 HA GLU A 27 -15.815 9.664 9.672 1.00 33.40 H new ATOM 0 HB2 GLU A 27 -17.189 11.956 8.205 1.00 43.14 H new ATOM 0 HB3 GLU A 27 -17.847 11.164 9.623 1.00 43.14 H new ATOM 0 HG2 GLU A 27 -15.186 12.611 9.560 1.00 13.55 H new ATOM 0 HG3 GLU A 27 -16.695 13.338 10.075 1.00 13.55 H new ATOM 414 N SER A 28 -17.405 9.597 6.762 1.00 45.31 N ATOM 415 CA SER A 28 -18.343 8.865 5.922 1.00 14.12 C ATOM 416 C SER A 28 -17.702 7.610 5.325 1.00 72.03 C ATOM 417 O SER A 28 -18.388 6.697 4.883 1.00 25.11 O ATOM 418 CB SER A 28 -18.810 9.786 4.811 1.00 4.24 C ATOM 419 OG SER A 28 -19.238 11.028 5.356 1.00 62.13 O ATOM 0 H SER A 28 -17.008 10.422 6.311 1.00 45.31 H new ATOM 0 HA SER A 28 -19.186 8.541 6.532 1.00 14.12 H new ATOM 0 HB2 SER A 28 -18.000 9.951 4.100 1.00 4.24 H new ATOM 0 HB3 SER A 28 -19.627 9.320 4.261 1.00 4.24 H new ATOM 0 HG SER A 28 -19.536 11.617 4.632 1.00 62.13 H new ATOM 425 N SER A 29 -16.395 7.579 5.295 1.00 55.33 N ATOM 426 CA SER A 29 -15.686 6.431 4.778 1.00 62.11 C ATOM 427 C SER A 29 -15.570 5.361 5.869 1.00 1.42 C ATOM 428 O SER A 29 -15.307 4.200 5.584 1.00 24.04 O ATOM 429 CB SER A 29 -14.294 6.853 4.255 1.00 54.33 C ATOM 430 OG SER A 29 -13.583 5.762 3.658 1.00 41.23 O ATOM 0 H SER A 29 -15.796 8.337 5.623 1.00 55.33 H new ATOM 0 HA SER A 29 -16.242 6.008 3.941 1.00 62.11 H new ATOM 0 HB2 SER A 29 -14.411 7.652 3.523 1.00 54.33 H new ATOM 0 HB3 SER A 29 -13.707 7.259 5.079 1.00 54.33 H new ATOM 0 HG SER A 29 -14.013 5.514 2.813 1.00 41.23 H new ATOM 436 N THR A 30 -15.783 5.767 7.100 1.00 43.24 N ATOM 437 CA THR A 30 -15.633 4.897 8.227 1.00 50.52 C ATOM 438 C THR A 30 -16.994 4.550 8.844 1.00 21.34 C ATOM 439 O THR A 30 -17.628 5.382 9.513 1.00 34.54 O ATOM 440 CB THR A 30 -14.701 5.567 9.261 1.00 15.30 C ATOM 441 OG1 THR A 30 -13.481 5.916 8.593 1.00 55.45 O ATOM 442 CG2 THR A 30 -14.384 4.645 10.430 1.00 60.24 C ATOM 0 H THR A 30 -16.066 6.717 7.341 1.00 43.24 H new ATOM 0 HA THR A 30 -15.186 3.959 7.900 1.00 50.52 H new ATOM 0 HB THR A 30 -15.204 6.445 9.666 1.00 15.30 H new ATOM 0 HG1 THR A 30 -13.576 6.800 8.180 1.00 55.45 H new ATOM 0 HG21 THR A 30 -13.726 5.159 11.131 1.00 60.24 H new ATOM 0 HG22 THR A 30 -15.309 4.369 10.937 1.00 60.24 H new ATOM 0 HG23 THR A 30 -13.890 3.746 10.061 1.00 60.24 H new ATOM 450 N GLY A 31 -17.452 3.353 8.580 1.00 0.24 N ATOM 451 CA GLY A 31 -18.699 2.906 9.136 1.00 62.10 C ATOM 452 C GLY A 31 -18.669 1.432 9.436 1.00 72.14 C ATOM 453 O GLY A 31 -18.956 1.005 10.563 1.00 24.10 O ATOM 0 H GLY A 31 -16.980 2.673 7.984 1.00 0.24 H new ATOM 0 HA2 GLY A 31 -18.911 3.461 10.050 1.00 62.10 H new ATOM 0 HA3 GLY A 31 -19.508 3.120 8.438 1.00 62.10 H new ATOM 457 N THR A 32 -18.307 0.662 8.450 1.00 23.21 N ATOM 458 CA THR A 32 -18.254 -0.765 8.557 1.00 72.31 C ATOM 459 C THR A 32 -16.781 -1.213 8.666 1.00 11.01 C ATOM 460 O THR A 32 -15.886 -0.599 8.057 1.00 42.25 O ATOM 461 CB THR A 32 -18.894 -1.387 7.288 1.00 54.15 C ATOM 462 OG1 THR A 32 -20.144 -0.715 7.009 1.00 5.03 O ATOM 463 CG2 THR A 32 -19.175 -2.874 7.483 1.00 3.01 C ATOM 0 H THR A 32 -18.036 1.017 7.533 1.00 23.21 H new ATOM 0 HA THR A 32 -18.798 -1.094 9.443 1.00 72.31 H new ATOM 0 HB THR A 32 -18.195 -1.267 6.460 1.00 54.15 H new ATOM 0 HG1 THR A 32 -20.552 -1.103 6.207 1.00 5.03 H new ATOM 0 HG21 THR A 32 -19.623 -3.281 6.577 1.00 3.01 H new ATOM 0 HG22 THR A 32 -18.242 -3.396 7.693 1.00 3.01 H new ATOM 0 HG23 THR A 32 -19.861 -3.008 8.319 1.00 3.01 H new ATOM 471 N ALA A 33 -16.524 -2.224 9.472 1.00 35.21 N ATOM 472 CA ALA A 33 -15.191 -2.791 9.584 1.00 23.11 C ATOM 473 C ALA A 33 -14.931 -3.651 8.340 1.00 33.01 C ATOM 474 O ALA A 33 -15.892 -4.147 7.738 1.00 42.03 O ATOM 475 CB ALA A 33 -15.087 -3.622 10.859 1.00 53.13 C ATOM 0 H ALA A 33 -17.224 -2.673 10.063 1.00 35.21 H new ATOM 0 HA ALA A 33 -14.441 -2.002 9.641 1.00 23.11 H new ATOM 0 HB1 ALA A 33 -14.085 -4.044 10.937 1.00 53.13 H new ATOM 0 HB2 ALA A 33 -15.282 -2.988 11.724 1.00 53.13 H new ATOM 0 HB3 ALA A 33 -15.820 -4.429 10.828 1.00 53.13 H new ATOM 481 N PRO A 34 -13.663 -3.834 7.916 1.00 23.22 N ATOM 482 CA PRO A 34 -13.349 -4.603 6.700 1.00 31.30 C ATOM 483 C PRO A 34 -13.880 -6.054 6.754 1.00 21.03 C ATOM 484 O PRO A 34 -13.860 -6.700 7.807 1.00 71.13 O ATOM 485 CB PRO A 34 -11.810 -4.586 6.644 1.00 1.33 C ATOM 486 CG PRO A 34 -11.373 -4.213 8.022 1.00 63.31 C ATOM 487 CD PRO A 34 -12.446 -3.318 8.565 1.00 1.31 C ATOM 0 HA PRO A 34 -13.822 -4.170 5.819 1.00 31.30 H new ATOM 0 HB2 PRO A 34 -11.416 -5.560 6.356 1.00 1.33 H new ATOM 0 HB3 PRO A 34 -11.451 -3.866 5.908 1.00 1.33 H new ATOM 0 HG2 PRO A 34 -11.250 -5.098 8.646 1.00 63.31 H new ATOM 0 HG3 PRO A 34 -10.411 -3.701 8.002 1.00 63.31 H new ATOM 0 HD2 PRO A 34 -12.511 -3.378 9.651 1.00 1.31 H new ATOM 0 HD3 PRO A 34 -12.266 -2.273 8.314 1.00 1.31 H new ATOM 495 N ALA A 35 -14.349 -6.540 5.631 1.00 2.03 N ATOM 496 CA ALA A 35 -14.894 -7.877 5.517 1.00 10.51 C ATOM 497 C ALA A 35 -14.301 -8.566 4.295 1.00 14.43 C ATOM 498 O ALA A 35 -14.261 -7.978 3.202 1.00 34.24 O ATOM 499 CB ALA A 35 -16.413 -7.813 5.420 1.00 55.22 C ATOM 0 H ALA A 35 -14.365 -6.014 4.757 1.00 2.03 H new ATOM 0 HA ALA A 35 -14.633 -8.455 6.404 1.00 10.51 H new ATOM 0 HB1 ALA A 35 -16.815 -8.823 5.335 1.00 55.22 H new ATOM 0 HB2 ALA A 35 -16.815 -7.337 6.314 1.00 55.22 H new ATOM 0 HB3 ALA A 35 -16.697 -7.234 4.542 1.00 55.22 H new ATOM 505 N SER A 36 -13.837 -9.775 4.466 1.00 61.03 N ATOM 506 CA SER A 36 -13.192 -10.508 3.405 1.00 64.11 C ATOM 507 C SER A 36 -13.890 -11.869 3.205 1.00 71.32 C ATOM 508 O SER A 36 -14.978 -12.117 3.733 1.00 21.13 O ATOM 509 CB SER A 36 -11.683 -10.684 3.748 1.00 14.31 C ATOM 510 OG SER A 36 -10.957 -11.371 2.725 1.00 42.33 O ATOM 0 H SER A 36 -13.895 -10.283 5.349 1.00 61.03 H new ATOM 0 HA SER A 36 -13.270 -9.956 2.468 1.00 64.11 H new ATOM 0 HB2 SER A 36 -11.235 -9.703 3.908 1.00 14.31 H new ATOM 0 HB3 SER A 36 -11.590 -11.234 4.684 1.00 14.31 H new ATOM 0 HG SER A 36 -11.195 -11.000 1.850 1.00 42.33 H new ATOM 516 N THR A 37 -13.261 -12.716 2.444 1.00 52.11 N ATOM 517 CA THR A 37 -13.760 -14.023 2.112 1.00 41.30 C ATOM 518 C THR A 37 -12.952 -15.093 2.876 1.00 33.21 C ATOM 519 O THR A 37 -13.141 -16.298 2.692 1.00 74.55 O ATOM 520 CB THR A 37 -13.649 -14.242 0.564 1.00 32.12 C ATOM 521 OG1 THR A 37 -14.125 -15.540 0.168 1.00 52.43 O ATOM 522 CG2 THR A 37 -12.214 -14.039 0.070 1.00 73.55 C ATOM 0 H THR A 37 -12.355 -12.511 2.022 1.00 52.11 H new ATOM 0 HA THR A 37 -14.807 -14.107 2.403 1.00 41.30 H new ATOM 0 HB THR A 37 -14.287 -13.491 0.099 1.00 32.12 H new ATOM 0 HG1 THR A 37 -13.943 -16.187 0.882 1.00 52.43 H new ATOM 0 HG21 THR A 37 -12.174 -14.199 -1.007 1.00 73.55 H new ATOM 0 HG22 THR A 37 -11.891 -13.023 0.298 1.00 73.55 H new ATOM 0 HG23 THR A 37 -11.554 -14.750 0.567 1.00 73.55 H new ATOM 530 N GLY A 38 -12.074 -14.643 3.749 1.00 30.01 N ATOM 531 CA GLY A 38 -11.228 -15.556 4.473 1.00 61.41 C ATOM 532 C GLY A 38 -9.924 -15.702 3.747 1.00 62.24 C ATOM 533 O GLY A 38 -9.396 -16.797 3.591 1.00 2.43 O ATOM 0 H GLY A 38 -11.932 -13.657 3.970 1.00 30.01 H new ATOM 0 HA2 GLY A 38 -11.056 -15.187 5.484 1.00 61.41 H new ATOM 0 HA3 GLY A 38 -11.716 -16.526 4.567 1.00 61.41 H new ATOM 537 N ALA A 39 -9.401 -14.579 3.297 1.00 34.54 N ATOM 538 CA ALA A 39 -8.200 -14.567 2.480 1.00 42.42 C ATOM 539 C ALA A 39 -6.953 -14.553 3.347 1.00 63.03 C ATOM 540 O ALA A 39 -5.825 -14.661 2.854 1.00 64.14 O ATOM 541 CB ALA A 39 -8.214 -13.374 1.547 1.00 25.55 C ATOM 0 H ALA A 39 -9.791 -13.655 3.484 1.00 34.54 H new ATOM 0 HA ALA A 39 -8.183 -15.478 1.882 1.00 42.42 H new ATOM 0 HB1 ALA A 39 -7.309 -13.376 0.940 1.00 25.55 H new ATOM 0 HB2 ALA A 39 -9.087 -13.431 0.897 1.00 25.55 H new ATOM 0 HB3 ALA A 39 -8.256 -12.455 2.132 1.00 25.55 H new ATOM 547 N GLU A 40 -7.170 -14.478 4.644 1.00 63.40 N ATOM 548 CA GLU A 40 -6.115 -14.406 5.648 1.00 1.22 C ATOM 549 C GLU A 40 -5.331 -15.725 5.783 1.00 20.43 C ATOM 550 O GLU A 40 -4.415 -15.836 6.610 1.00 40.12 O ATOM 551 CB GLU A 40 -6.732 -14.013 6.984 1.00 22.11 C ATOM 552 CG GLU A 40 -7.748 -15.016 7.508 1.00 21.13 C ATOM 553 CD GLU A 40 -8.510 -14.487 8.677 1.00 21.22 C ATOM 554 OE1 GLU A 40 -7.960 -14.438 9.800 1.00 13.21 O ATOM 555 OE2 GLU A 40 -9.675 -14.090 8.499 1.00 64.04 O ATOM 0 H GLU A 40 -8.108 -14.465 5.045 1.00 63.40 H new ATOM 0 HA GLU A 40 -5.395 -13.653 5.327 1.00 1.22 H new ATOM 0 HB2 GLU A 40 -5.937 -13.896 7.721 1.00 22.11 H new ATOM 0 HB3 GLU A 40 -7.215 -13.041 6.879 1.00 22.11 H new ATOM 0 HG2 GLU A 40 -8.444 -15.276 6.710 1.00 21.13 H new ATOM 0 HG3 GLU A 40 -7.235 -15.934 7.796 1.00 21.13 H new ATOM 562 N ASN A 41 -5.672 -16.705 4.971 1.00 63.12 N ATOM 563 CA ASN A 41 -4.983 -17.983 4.972 1.00 42.14 C ATOM 564 C ASN A 41 -3.744 -17.853 4.121 1.00 72.33 C ATOM 565 O ASN A 41 -2.801 -18.636 4.249 1.00 54.11 O ATOM 566 CB ASN A 41 -5.882 -19.133 4.437 1.00 2.14 C ATOM 567 CG ASN A 41 -6.270 -19.007 2.960 1.00 52.33 C ATOM 568 OD1 ASN A 41 -6.430 -17.900 2.418 1.00 62.14 O ATOM 569 ND2 ASN A 41 -6.423 -20.127 2.302 1.00 70.30 N ATOM 0 H ASN A 41 -6.432 -16.640 4.293 1.00 63.12 H new ATOM 0 HA ASN A 41 -4.721 -18.239 5.999 1.00 42.14 H new ATOM 0 HB2 ASN A 41 -5.362 -20.080 4.583 1.00 2.14 H new ATOM 0 HB3 ASN A 41 -6.792 -19.173 5.036 1.00 2.14 H new ATOM 0 HD21 ASN A 41 -6.681 -20.108 1.315 1.00 70.30 H new ATOM 0 HD22 ASN A 41 -6.284 -21.020 2.776 1.00 70.30 H new ATOM 576 N LEU A 42 -3.765 -16.819 3.261 1.00 33.12 N ATOM 577 CA LEU A 42 -2.678 -16.480 2.361 1.00 33.14 C ATOM 578 C LEU A 42 -2.318 -17.646 1.433 1.00 32.41 C ATOM 579 O LEU A 42 -1.360 -18.359 1.692 1.00 40.13 O ATOM 580 CB LEU A 42 -1.443 -16.008 3.142 1.00 23.24 C ATOM 581 CG LEU A 42 -1.563 -14.697 3.921 1.00 23.40 C ATOM 582 CD1 LEU A 42 -0.292 -14.444 4.716 1.00 13.04 C ATOM 583 CD2 LEU A 42 -1.824 -13.533 2.978 1.00 52.52 C ATOM 0 H LEU A 42 -4.563 -16.189 3.180 1.00 33.12 H new ATOM 0 HA LEU A 42 -3.025 -15.658 1.735 1.00 33.14 H new ATOM 0 HB2 LEU A 42 -1.168 -16.794 3.845 1.00 23.24 H new ATOM 0 HB3 LEU A 42 -0.617 -15.907 2.438 1.00 23.24 H new ATOM 0 HG LEU A 42 -2.405 -14.782 4.608 1.00 23.40 H new ATOM 0 HD11 LEU A 42 -0.388 -13.508 5.267 1.00 13.04 H new ATOM 0 HD12 LEU A 42 -0.132 -15.263 5.417 1.00 13.04 H new ATOM 0 HD13 LEU A 42 0.556 -14.379 4.035 1.00 13.04 H new ATOM 0 HD21 LEU A 42 -1.906 -12.610 3.553 1.00 52.52 H new ATOM 0 HD22 LEU A 42 -1.000 -13.447 2.269 1.00 52.52 H new ATOM 0 HD23 LEU A 42 -2.753 -13.706 2.435 1.00 52.52 H new ATOM 595 N PRO A 43 -3.098 -17.866 0.348 1.00 22.10 N ATOM 596 CA PRO A 43 -2.851 -18.973 -0.593 1.00 42.31 C ATOM 597 C PRO A 43 -1.424 -18.938 -1.169 1.00 54.32 C ATOM 598 O PRO A 43 -0.613 -19.831 -0.904 1.00 5.13 O ATOM 599 CB PRO A 43 -3.909 -18.774 -1.699 1.00 51.55 C ATOM 600 CG PRO A 43 -4.456 -17.396 -1.486 1.00 31.01 C ATOM 601 CD PRO A 43 -4.297 -17.092 -0.029 1.00 3.43 C ATOM 0 HA PRO A 43 -2.931 -19.945 -0.106 1.00 42.31 H new ATOM 0 HB2 PRO A 43 -3.464 -18.871 -2.689 1.00 51.55 H new ATOM 0 HB3 PRO A 43 -4.697 -19.524 -1.628 1.00 51.55 H new ATOM 0 HG2 PRO A 43 -3.919 -16.668 -2.094 1.00 31.01 H new ATOM 0 HG3 PRO A 43 -5.504 -17.346 -1.780 1.00 31.01 H new ATOM 0 HD2 PRO A 43 -4.159 -16.025 0.147 1.00 3.43 H new ATOM 0 HD3 PRO A 43 -5.172 -17.400 0.544 1.00 3.43 H new ATOM 609 N ALA A 44 -1.101 -17.869 -1.895 1.00 63.20 N ATOM 610 CA ALA A 44 0.237 -17.708 -2.470 1.00 40.23 C ATOM 611 C ALA A 44 1.252 -17.254 -1.419 1.00 24.45 C ATOM 612 O ALA A 44 2.432 -17.104 -1.707 1.00 44.23 O ATOM 613 CB ALA A 44 0.209 -16.734 -3.635 1.00 51.22 C ATOM 0 H ALA A 44 -1.743 -17.103 -2.099 1.00 63.20 H new ATOM 0 HA ALA A 44 0.553 -18.684 -2.838 1.00 40.23 H new ATOM 0 HB1 ALA A 44 1.213 -16.630 -4.046 1.00 51.22 H new ATOM 0 HB2 ALA A 44 -0.462 -17.110 -4.407 1.00 51.22 H new ATOM 0 HB3 ALA A 44 -0.144 -15.763 -3.289 1.00 51.22 H new ATOM 619 N GLY A 45 0.782 -17.035 -0.203 1.00 3.32 N ATOM 620 CA GLY A 45 1.664 -16.619 0.873 1.00 13.10 C ATOM 621 C GLY A 45 2.077 -15.168 0.776 1.00 4.31 C ATOM 622 O GLY A 45 3.089 -14.755 1.346 1.00 11.23 O ATOM 0 H GLY A 45 -0.198 -17.137 0.062 1.00 3.32 H new ATOM 0 HA2 GLY A 45 1.165 -16.785 1.828 1.00 13.10 H new ATOM 0 HA3 GLY A 45 2.556 -17.245 0.866 1.00 13.10 H new ATOM 626 N SER A 46 1.338 -14.401 0.022 1.00 35.41 N ATOM 627 CA SER A 46 1.632 -13.009 -0.153 1.00 24.44 C ATOM 628 C SER A 46 0.332 -12.234 -0.335 1.00 11.21 C ATOM 629 O SER A 46 -0.728 -12.833 -0.604 1.00 44.42 O ATOM 630 CB SER A 46 2.562 -12.825 -1.360 1.00 42.02 C ATOM 631 OG SER A 46 3.761 -13.580 -1.201 1.00 55.35 O ATOM 0 H SER A 46 0.516 -14.725 -0.487 1.00 35.41 H new ATOM 0 HA SER A 46 2.141 -12.623 0.730 1.00 24.44 H new ATOM 0 HB2 SER A 46 2.049 -13.137 -2.270 1.00 42.02 H new ATOM 0 HB3 SER A 46 2.806 -11.769 -1.478 1.00 42.02 H new ATOM 0 HG SER A 46 4.337 -13.448 -1.983 1.00 55.35 H new ATOM 637 N ALA A 47 0.409 -10.942 -0.187 1.00 24.34 N ATOM 638 CA ALA A 47 -0.734 -10.065 -0.290 1.00 30.24 C ATOM 639 C ALA A 47 -0.301 -8.825 -1.031 1.00 44.51 C ATOM 640 O ALA A 47 0.876 -8.550 -1.074 1.00 2.11 O ATOM 641 CB ALA A 47 -1.238 -9.722 1.093 1.00 14.11 C ATOM 0 H ALA A 47 1.282 -10.455 0.013 1.00 24.34 H new ATOM 0 HA ALA A 47 -1.548 -10.548 -0.831 1.00 30.24 H new ATOM 0 HB1 ALA A 47 -2.100 -9.060 1.012 1.00 14.11 H new ATOM 0 HB2 ALA A 47 -1.529 -10.636 1.611 1.00 14.11 H new ATOM 0 HB3 ALA A 47 -0.449 -9.222 1.654 1.00 14.11 H new ATOM 647 N LEU A 48 -1.211 -8.112 -1.629 1.00 51.23 N ATOM 648 CA LEU A 48 -0.852 -6.964 -2.445 1.00 24.13 C ATOM 649 C LEU A 48 -1.542 -5.701 -1.966 1.00 51.25 C ATOM 650 O LEU A 48 -2.605 -5.767 -1.352 1.00 72.42 O ATOM 651 CB LEU A 48 -1.117 -7.221 -3.983 1.00 13.13 C ATOM 652 CG LEU A 48 -2.577 -7.500 -4.526 1.00 45.21 C ATOM 653 CD1 LEU A 48 -3.247 -8.681 -3.867 1.00 25.13 C ATOM 654 CD2 LEU A 48 -3.482 -6.271 -4.480 1.00 14.35 C ATOM 0 H LEU A 48 -2.212 -8.297 -1.573 1.00 51.23 H new ATOM 0 HA LEU A 48 0.222 -6.816 -2.327 1.00 24.13 H new ATOM 0 HB2 LEU A 48 -0.737 -6.352 -4.521 1.00 13.13 H new ATOM 0 HB3 LEU A 48 -0.501 -8.071 -4.275 1.00 13.13 H new ATOM 0 HG LEU A 48 -2.429 -7.757 -5.575 1.00 45.21 H new ATOM 0 HD11 LEU A 48 -4.244 -8.815 -4.287 1.00 25.13 H new ATOM 0 HD12 LEU A 48 -2.656 -9.580 -4.043 1.00 25.13 H new ATOM 0 HD13 LEU A 48 -3.326 -8.503 -2.795 1.00 25.13 H new ATOM 0 HD21 LEU A 48 -4.468 -6.530 -4.866 1.00 14.35 H new ATOM 0 HD22 LEU A 48 -3.575 -5.926 -3.450 1.00 14.35 H new ATOM 0 HD23 LEU A 48 -3.050 -5.478 -5.091 1.00 14.35 H new ATOM 666 N LEU A 49 -0.933 -4.564 -2.211 1.00 53.03 N ATOM 667 CA LEU A 49 -1.570 -3.316 -1.918 1.00 73.51 C ATOM 668 C LEU A 49 -1.759 -2.579 -3.225 1.00 42.12 C ATOM 669 O LEU A 49 -0.922 -2.701 -4.134 1.00 2.04 O ATOM 670 CB LEU A 49 -0.785 -2.470 -0.851 1.00 3.40 C ATOM 671 CG LEU A 49 0.493 -1.639 -1.246 1.00 63.01 C ATOM 672 CD1 LEU A 49 1.526 -2.397 -2.054 1.00 22.34 C ATOM 673 CD2 LEU A 49 0.152 -0.296 -1.874 1.00 70.41 C ATOM 0 H LEU A 49 0.001 -4.485 -2.612 1.00 53.03 H new ATOM 0 HA LEU A 49 -2.540 -3.498 -1.456 1.00 73.51 H new ATOM 0 HB2 LEU A 49 -1.497 -1.770 -0.414 1.00 3.40 H new ATOM 0 HB3 LEU A 49 -0.486 -3.156 -0.059 1.00 3.40 H new ATOM 0 HG LEU A 49 0.979 -1.439 -0.291 1.00 63.01 H new ATOM 0 HD11 LEU A 49 2.367 -1.740 -2.277 1.00 22.34 H new ATOM 0 HD12 LEU A 49 1.877 -3.256 -1.482 1.00 22.34 H new ATOM 0 HD13 LEU A 49 1.078 -2.741 -2.986 1.00 22.34 H new ATOM 0 HD21 LEU A 49 1.072 0.232 -2.125 1.00 70.41 H new ATOM 0 HD22 LEU A 49 -0.434 -0.456 -2.779 1.00 70.41 H new ATOM 0 HD23 LEU A 49 -0.427 0.299 -1.168 1.00 70.41 H new ATOM 685 N VAL A 50 -2.842 -1.891 -3.358 1.00 23.30 N ATOM 686 CA VAL A 50 -3.102 -1.141 -4.555 1.00 21.14 C ATOM 687 C VAL A 50 -3.543 0.273 -4.212 1.00 65.34 C ATOM 688 O VAL A 50 -4.360 0.477 -3.296 1.00 74.53 O ATOM 689 CB VAL A 50 -4.159 -1.861 -5.475 1.00 44.22 C ATOM 690 CG1 VAL A 50 -5.494 -2.073 -4.765 1.00 13.21 C ATOM 691 CG2 VAL A 50 -4.360 -1.114 -6.794 1.00 13.14 C ATOM 0 H VAL A 50 -3.572 -1.828 -2.649 1.00 23.30 H new ATOM 0 HA VAL A 50 -2.172 -1.082 -5.121 1.00 21.14 H new ATOM 0 HB VAL A 50 -3.750 -2.846 -5.702 1.00 44.22 H new ATOM 0 HG11 VAL A 50 -6.190 -2.572 -5.439 1.00 13.21 H new ATOM 0 HG12 VAL A 50 -5.341 -2.690 -3.879 1.00 13.21 H new ATOM 0 HG13 VAL A 50 -5.906 -1.108 -4.469 1.00 13.21 H new ATOM 0 HG21 VAL A 50 -5.096 -1.640 -7.402 1.00 13.14 H new ATOM 0 HG22 VAL A 50 -4.714 -0.104 -6.590 1.00 13.14 H new ATOM 0 HG23 VAL A 50 -3.413 -1.065 -7.332 1.00 13.14 H new ATOM 701 N VAL A 51 -2.965 1.249 -4.884 1.00 34.21 N ATOM 702 CA VAL A 51 -3.413 2.606 -4.728 1.00 52.44 C ATOM 703 C VAL A 51 -4.663 2.695 -5.557 1.00 4.41 C ATOM 704 O VAL A 51 -4.621 2.532 -6.784 1.00 3.33 O ATOM 705 CB VAL A 51 -2.365 3.634 -5.247 1.00 13.33 C ATOM 706 CG1 VAL A 51 -2.809 5.064 -4.949 1.00 4.24 C ATOM 707 CG2 VAL A 51 -0.985 3.364 -4.648 1.00 64.43 C ATOM 0 H VAL A 51 -2.191 1.123 -5.536 1.00 34.21 H new ATOM 0 HA VAL A 51 -3.575 2.844 -3.677 1.00 52.44 H new ATOM 0 HB VAL A 51 -2.293 3.517 -6.328 1.00 13.33 H new ATOM 0 HG11 VAL A 51 -2.060 5.763 -5.321 1.00 4.24 H new ATOM 0 HG12 VAL A 51 -3.763 5.259 -5.440 1.00 4.24 H new ATOM 0 HG13 VAL A 51 -2.922 5.193 -3.873 1.00 4.24 H new ATOM 0 HG21 VAL A 51 -0.274 4.097 -5.028 1.00 64.43 H new ATOM 0 HG22 VAL A 51 -1.039 3.440 -3.562 1.00 64.43 H new ATOM 0 HG23 VAL A 51 -0.657 2.362 -4.926 1.00 64.43 H new ATOM 717 N LYS A 52 -5.753 2.953 -4.906 1.00 53.41 N ATOM 718 CA LYS A 52 -7.032 2.888 -5.540 1.00 24.11 C ATOM 719 C LYS A 52 -7.374 4.233 -6.127 1.00 22.31 C ATOM 720 O LYS A 52 -8.032 4.325 -7.156 1.00 51.12 O ATOM 721 CB LYS A 52 -8.090 2.458 -4.518 1.00 40.12 C ATOM 722 CG LYS A 52 -9.343 1.858 -5.130 1.00 54.20 C ATOM 723 CD LYS A 52 -9.034 0.515 -5.788 1.00 53.12 C ATOM 724 CE LYS A 52 -10.258 -0.093 -6.439 1.00 34.02 C ATOM 725 NZ LYS A 52 -10.773 0.753 -7.526 1.00 41.12 N ATOM 0 H LYS A 52 -5.782 3.215 -3.921 1.00 53.41 H new ATOM 0 HA LYS A 52 -7.007 2.154 -6.345 1.00 24.11 H new ATOM 0 HB2 LYS A 52 -7.647 1.730 -3.839 1.00 40.12 H new ATOM 0 HB3 LYS A 52 -8.371 3.323 -3.918 1.00 40.12 H new ATOM 0 HG2 LYS A 52 -10.102 1.725 -4.359 1.00 54.20 H new ATOM 0 HG3 LYS A 52 -9.757 2.544 -5.869 1.00 54.20 H new ATOM 0 HD2 LYS A 52 -8.254 0.649 -6.537 1.00 53.12 H new ATOM 0 HD3 LYS A 52 -8.642 -0.174 -5.040 1.00 53.12 H new ATOM 0 HE2 LYS A 52 -10.009 -1.079 -6.832 1.00 34.02 H new ATOM 0 HE3 LYS A 52 -11.036 -0.236 -5.689 1.00 34.02 H new ATOM 0 HZ1 LYS A 52 -11.451 0.209 -8.098 1.00 41.12 H new ATOM 0 HZ2 LYS A 52 -11.249 1.585 -7.123 1.00 41.12 H new ATOM 0 HZ3 LYS A 52 -9.984 1.064 -8.128 1.00 41.12 H new ATOM 739 N ARG A 53 -6.908 5.273 -5.484 1.00 3.31 N ATOM 740 CA ARG A 53 -7.186 6.603 -5.952 1.00 63.42 C ATOM 741 C ARG A 53 -6.080 7.534 -5.516 1.00 20.31 C ATOM 742 O ARG A 53 -5.587 7.438 -4.375 1.00 61.50 O ATOM 743 CB ARG A 53 -8.550 7.097 -5.447 1.00 34.33 C ATOM 744 CG ARG A 53 -9.036 8.357 -6.144 1.00 12.22 C ATOM 745 CD ARG A 53 -10.402 8.775 -5.650 1.00 21.54 C ATOM 746 NE ARG A 53 -10.947 9.886 -6.435 1.00 33.32 N ATOM 747 CZ ARG A 53 -12.116 10.485 -6.212 1.00 63.01 C ATOM 748 NH1 ARG A 53 -12.862 10.133 -5.166 1.00 12.45 N ATOM 749 NH2 ARG A 53 -12.536 11.434 -7.044 1.00 74.21 N ATOM 0 H ARG A 53 -6.338 5.224 -4.640 1.00 3.31 H new ATOM 0 HA ARG A 53 -7.230 6.588 -7.041 1.00 63.42 H new ATOM 0 HB2 ARG A 53 -9.288 6.307 -5.587 1.00 34.33 H new ATOM 0 HB3 ARG A 53 -8.485 7.286 -4.376 1.00 34.33 H new ATOM 0 HG2 ARG A 53 -8.324 9.165 -5.974 1.00 12.22 H new ATOM 0 HG3 ARG A 53 -9.074 8.187 -7.220 1.00 12.22 H new ATOM 0 HD2 ARG A 53 -11.083 7.925 -5.701 1.00 21.54 H new ATOM 0 HD3 ARG A 53 -10.336 9.068 -4.602 1.00 21.54 H new ATOM 0 HE ARG A 53 -10.386 10.228 -7.215 1.00 33.32 H new ATOM 0 HH11 ARG A 53 -12.539 9.402 -4.532 1.00 12.45 H new ATOM 0 HH12 ARG A 53 -13.756 10.594 -4.999 1.00 12.45 H new ATOM 0 HH21 ARG A 53 -11.964 11.699 -7.846 1.00 74.21 H new ATOM 0 HH22 ARG A 53 -13.430 11.897 -6.880 1.00 74.21 H new ATOM 763 N GLY A 54 -5.669 8.384 -6.420 1.00 53.13 N ATOM 764 CA GLY A 54 -4.623 9.322 -6.177 1.00 24.22 C ATOM 765 C GLY A 54 -3.770 9.446 -7.415 1.00 74.22 C ATOM 766 O GLY A 54 -3.964 8.687 -8.346 1.00 54.41 O ATOM 0 H GLY A 54 -6.063 8.439 -7.359 1.00 53.13 H new ATOM 0 HA2 GLY A 54 -5.043 10.292 -5.912 1.00 24.22 H new ATOM 0 HA3 GLY A 54 -4.015 8.996 -5.333 1.00 24.22 H new ATOM 770 N PRO A 55 -2.828 10.382 -7.466 1.00 43.41 N ATOM 771 CA PRO A 55 -1.937 10.558 -8.635 1.00 20.02 C ATOM 772 C PRO A 55 -1.163 9.276 -9.034 1.00 52.01 C ATOM 773 O PRO A 55 -0.860 9.064 -10.212 1.00 42.43 O ATOM 774 CB PRO A 55 -0.967 11.636 -8.162 1.00 45.14 C ATOM 775 CG PRO A 55 -1.750 12.416 -7.171 1.00 31.42 C ATOM 776 CD PRO A 55 -2.599 11.420 -6.449 1.00 13.22 C ATOM 0 HA PRO A 55 -2.504 10.812 -9.530 1.00 20.02 H new ATOM 0 HB2 PRO A 55 -0.075 11.200 -7.712 1.00 45.14 H new ATOM 0 HB3 PRO A 55 -0.633 12.263 -8.989 1.00 45.14 H new ATOM 0 HG2 PRO A 55 -1.092 12.943 -6.480 1.00 31.42 H new ATOM 0 HG3 PRO A 55 -2.364 13.170 -7.664 1.00 31.42 H new ATOM 0 HD2 PRO A 55 -2.093 11.020 -5.570 1.00 13.22 H new ATOM 0 HD3 PRO A 55 -3.534 11.861 -6.105 1.00 13.22 H new ATOM 784 N ASN A 56 -0.868 8.413 -8.068 1.00 71.02 N ATOM 785 CA ASN A 56 -0.120 7.188 -8.372 1.00 35.41 C ATOM 786 C ASN A 56 -1.077 5.970 -8.426 1.00 31.45 C ATOM 787 O ASN A 56 -0.642 4.826 -8.367 1.00 72.44 O ATOM 788 CB ASN A 56 0.968 6.959 -7.304 1.00 22.14 C ATOM 789 CG ASN A 56 2.175 6.167 -7.829 1.00 2.01 C ATOM 790 OD1 ASN A 56 2.201 4.942 -7.819 1.00 53.02 O ATOM 791 ND2 ASN A 56 3.202 6.870 -8.237 1.00 52.24 N ATOM 0 H ASN A 56 -1.126 8.529 -7.088 1.00 71.02 H new ATOM 0 HA ASN A 56 0.355 7.300 -9.347 1.00 35.41 H new ATOM 0 HB2 ASN A 56 1.310 7.924 -6.930 1.00 22.14 H new ATOM 0 HB3 ASN A 56 0.532 6.426 -6.459 1.00 22.14 H new ATOM 0 HD21 ASN A 56 4.048 6.399 -8.556 1.00 52.24 H new ATOM 0 HD22 ASN A 56 3.155 7.889 -8.236 1.00 52.24 H new ATOM 798 N ALA A 57 -2.381 6.234 -8.574 1.00 31.34 N ATOM 799 CA ALA A 57 -3.412 5.174 -8.594 1.00 63.53 C ATOM 800 C ALA A 57 -3.166 4.159 -9.686 1.00 13.21 C ATOM 801 O ALA A 57 -2.701 4.497 -10.777 1.00 52.02 O ATOM 802 CB ALA A 57 -4.800 5.754 -8.742 1.00 3.23 C ATOM 0 H ALA A 57 -2.755 7.177 -8.683 1.00 31.34 H new ATOM 0 HA ALA A 57 -3.343 4.664 -7.633 1.00 63.53 H new ATOM 0 HB1 ALA A 57 -5.532 4.947 -8.753 1.00 3.23 H new ATOM 0 HB2 ALA A 57 -5.007 6.420 -7.905 1.00 3.23 H new ATOM 0 HB3 ALA A 57 -4.863 6.314 -9.675 1.00 3.23 H new ATOM 808 N GLY A 58 -3.468 2.922 -9.383 1.00 40.14 N ATOM 809 CA GLY A 58 -3.231 1.848 -10.313 1.00 61.22 C ATOM 810 C GLY A 58 -1.988 1.089 -9.931 1.00 12.53 C ATOM 811 O GLY A 58 -1.737 -0.021 -10.419 1.00 3.11 O ATOM 0 H GLY A 58 -3.880 2.633 -8.496 1.00 40.14 H new ATOM 0 HA2 GLY A 58 -4.087 1.174 -10.326 1.00 61.22 H new ATOM 0 HA3 GLY A 58 -3.125 2.248 -11.321 1.00 61.22 H new ATOM 815 N ALA A 59 -1.208 1.690 -9.048 1.00 14.34 N ATOM 816 CA ALA A 59 0.003 1.088 -8.556 1.00 52.33 C ATOM 817 C ALA A 59 -0.330 -0.032 -7.620 1.00 54.31 C ATOM 818 O ALA A 59 -1.025 0.172 -6.614 1.00 2.21 O ATOM 819 CB ALA A 59 0.860 2.101 -7.849 1.00 61.52 C ATOM 0 H ALA A 59 -1.404 2.611 -8.656 1.00 14.34 H new ATOM 0 HA ALA A 59 0.561 0.699 -9.408 1.00 52.33 H new ATOM 0 HB1 ALA A 59 1.769 1.620 -7.487 1.00 61.52 H new ATOM 0 HB2 ALA A 59 1.124 2.901 -8.541 1.00 61.52 H new ATOM 0 HB3 ALA A 59 0.310 2.518 -7.006 1.00 61.52 H new ATOM 825 N ARG A 60 0.141 -1.190 -7.939 1.00 13.00 N ATOM 826 CA ARG A 60 -0.107 -2.348 -7.161 1.00 74.42 C ATOM 827 C ARG A 60 1.207 -3.064 -6.980 1.00 45.12 C ATOM 828 O ARG A 60 1.981 -3.193 -7.930 1.00 32.23 O ATOM 829 CB ARG A 60 -1.118 -3.223 -7.894 1.00 43.42 C ATOM 830 CG ARG A 60 -1.566 -4.455 -7.145 1.00 35.51 C ATOM 831 CD ARG A 60 -2.591 -5.227 -7.958 1.00 3.51 C ATOM 832 NE ARG A 60 -2.048 -5.638 -9.258 1.00 41.20 N ATOM 833 CZ ARG A 60 -2.762 -6.063 -10.305 1.00 43.14 C ATOM 834 NH1 ARG A 60 -4.093 -6.145 -10.231 1.00 54.25 N ATOM 835 NH2 ARG A 60 -2.144 -6.382 -11.433 1.00 2.22 N ATOM 0 H ARG A 60 0.719 -1.357 -8.763 1.00 13.00 H new ATOM 0 HA ARG A 60 -0.519 -2.099 -6.183 1.00 74.42 H new ATOM 0 HB2 ARG A 60 -1.996 -2.620 -8.126 1.00 43.42 H new ATOM 0 HB3 ARG A 60 -0.684 -3.533 -8.845 1.00 43.42 H new ATOM 0 HG2 ARG A 60 -0.707 -5.091 -6.933 1.00 35.51 H new ATOM 0 HG3 ARG A 60 -1.995 -4.168 -6.185 1.00 35.51 H new ATOM 0 HD2 ARG A 60 -2.910 -6.108 -7.401 1.00 3.51 H new ATOM 0 HD3 ARG A 60 -3.476 -4.609 -8.111 1.00 3.51 H new ATOM 0 HE ARG A 60 -1.035 -5.596 -9.373 1.00 41.20 H new ATOM 0 HH11 ARG A 60 -4.573 -5.882 -9.370 1.00 54.25 H new ATOM 0 HH12 ARG A 60 -4.629 -6.470 -11.035 1.00 54.25 H new ATOM 0 HH21 ARG A 60 -1.129 -6.303 -11.499 1.00 2.22 H new ATOM 0 HH22 ARG A 60 -2.683 -6.707 -12.236 1.00 2.22 H new ATOM 849 N PHE A 61 1.478 -3.491 -5.780 1.00 32.43 N ATOM 850 CA PHE A 61 2.730 -4.146 -5.461 1.00 51.13 C ATOM 851 C PHE A 61 2.459 -5.332 -4.577 1.00 4.22 C ATOM 852 O PHE A 61 1.525 -5.301 -3.762 1.00 74.31 O ATOM 853 CB PHE A 61 3.702 -3.185 -4.756 1.00 23.35 C ATOM 854 CG PHE A 61 4.071 -1.959 -5.553 1.00 73.51 C ATOM 855 CD1 PHE A 61 5.110 -1.995 -6.460 1.00 34.41 C ATOM 856 CD2 PHE A 61 3.376 -0.769 -5.384 1.00 4.33 C ATOM 857 CE1 PHE A 61 5.450 -0.875 -7.187 1.00 52.11 C ATOM 858 CE2 PHE A 61 3.712 0.354 -6.109 1.00 34.32 C ATOM 859 CZ PHE A 61 4.753 0.302 -7.010 1.00 34.23 C ATOM 0 H PHE A 61 0.841 -3.398 -4.989 1.00 32.43 H new ATOM 0 HA PHE A 61 3.195 -4.471 -6.392 1.00 51.13 H new ATOM 0 HB2 PHE A 61 3.256 -2.867 -3.813 1.00 23.35 H new ATOM 0 HB3 PHE A 61 4.614 -3.729 -4.510 1.00 23.35 H new ATOM 0 HD1 PHE A 61 5.663 -2.912 -6.602 1.00 34.41 H new ATOM 0 HD2 PHE A 61 2.562 -0.723 -4.676 1.00 4.33 H new ATOM 0 HE1 PHE A 61 6.263 -0.919 -7.896 1.00 52.11 H new ATOM 0 HE2 PHE A 61 3.161 1.272 -5.971 1.00 34.32 H new ATOM 0 HZ PHE A 61 5.023 1.181 -7.577 1.00 34.23 H new ATOM 869 N LEU A 62 3.230 -6.367 -4.747 1.00 61.34 N ATOM 870 CA LEU A 62 3.070 -7.575 -3.984 1.00 60.24 C ATOM 871 C LEU A 62 3.975 -7.532 -2.756 1.00 22.55 C ATOM 872 O LEU A 62 5.177 -7.296 -2.870 1.00 41.14 O ATOM 873 CB LEU A 62 3.413 -8.782 -4.863 1.00 73.02 C ATOM 874 CG LEU A 62 3.216 -10.158 -4.237 1.00 51.23 C ATOM 875 CD1 LEU A 62 1.766 -10.355 -3.852 1.00 73.13 C ATOM 876 CD2 LEU A 62 3.667 -11.247 -5.197 1.00 12.34 C ATOM 0 H LEU A 62 3.993 -6.399 -5.423 1.00 61.34 H new ATOM 0 HA LEU A 62 2.036 -7.665 -3.650 1.00 60.24 H new ATOM 0 HB2 LEU A 62 2.807 -8.729 -5.767 1.00 73.02 H new ATOM 0 HB3 LEU A 62 4.455 -8.694 -5.172 1.00 73.02 H new ATOM 0 HG LEU A 62 3.825 -10.222 -3.335 1.00 51.23 H new ATOM 0 HD11 LEU A 62 1.639 -11.341 -3.406 1.00 73.13 H new ATOM 0 HD12 LEU A 62 1.474 -9.591 -3.132 1.00 73.13 H new ATOM 0 HD13 LEU A 62 1.140 -10.275 -4.740 1.00 73.13 H new ATOM 0 HD21 LEU A 62 3.520 -12.223 -4.735 1.00 12.34 H new ATOM 0 HD22 LEU A 62 3.082 -11.188 -6.115 1.00 12.34 H new ATOM 0 HD23 LEU A 62 4.723 -11.112 -5.431 1.00 12.34 H new ATOM 888 N LEU A 63 3.401 -7.755 -1.600 1.00 53.43 N ATOM 889 CA LEU A 63 4.132 -7.718 -0.359 1.00 40.23 C ATOM 890 C LEU A 63 4.535 -9.107 0.085 1.00 12.04 C ATOM 891 O LEU A 63 3.689 -9.929 0.473 1.00 72.25 O ATOM 892 CB LEU A 63 3.347 -7.060 0.800 1.00 62.03 C ATOM 893 CG LEU A 63 2.898 -5.596 0.670 1.00 14.14 C ATOM 894 CD1 LEU A 63 4.035 -4.693 0.217 1.00 4.21 C ATOM 895 CD2 LEU A 63 1.685 -5.460 -0.216 1.00 74.05 C ATOM 0 H LEU A 63 2.409 -7.968 -1.493 1.00 53.43 H new ATOM 0 HA LEU A 63 5.011 -7.109 -0.572 1.00 40.23 H new ATOM 0 HB2 LEU A 63 2.455 -7.662 0.974 1.00 62.03 H new ATOM 0 HB3 LEU A 63 3.962 -7.135 1.696 1.00 62.03 H new ATOM 0 HG LEU A 63 2.605 -5.262 1.665 1.00 14.14 H new ATOM 0 HD11 LEU A 63 3.675 -3.667 0.138 1.00 4.21 H new ATOM 0 HD12 LEU A 63 4.847 -4.738 0.943 1.00 4.21 H new ATOM 0 HD13 LEU A 63 4.399 -5.026 -0.755 1.00 4.21 H new ATOM 0 HD21 LEU A 63 1.399 -4.410 -0.282 1.00 74.05 H new ATOM 0 HD22 LEU A 63 1.918 -5.836 -1.212 1.00 74.05 H new ATOM 0 HD23 LEU A 63 0.860 -6.035 0.205 1.00 74.05 H new ATOM 907 N ASP A 64 5.798 -9.369 -0.044 1.00 44.15 N ATOM 908 CA ASP A 64 6.451 -10.543 0.521 1.00 51.40 C ATOM 909 C ASP A 64 7.861 -10.118 0.851 1.00 55.45 C ATOM 910 O ASP A 64 8.745 -10.921 1.089 1.00 73.15 O ATOM 911 CB ASP A 64 6.461 -11.761 -0.440 1.00 54.04 C ATOM 912 CG ASP A 64 7.311 -11.582 -1.680 1.00 63.25 C ATOM 913 OD1 ASP A 64 8.523 -11.890 -1.647 1.00 3.42 O ATOM 914 OD2 ASP A 64 6.778 -11.154 -2.720 1.00 3.33 O ATOM 0 H ASP A 64 6.436 -8.762 -0.559 1.00 44.15 H new ATOM 0 HA ASP A 64 5.902 -10.880 1.400 1.00 51.40 H new ATOM 0 HB2 ASP A 64 6.818 -12.634 0.106 1.00 54.04 H new ATOM 0 HB3 ASP A 64 5.437 -11.974 -0.746 1.00 54.04 H new ATOM 919 N GLN A 65 8.018 -8.823 0.942 1.00 44.02 N ATOM 920 CA GLN A 65 9.283 -8.191 1.176 1.00 42.31 C ATOM 921 C GLN A 65 9.289 -7.675 2.592 1.00 4.12 C ATOM 922 O GLN A 65 8.268 -7.215 3.083 1.00 34.03 O ATOM 923 CB GLN A 65 9.491 -7.038 0.165 1.00 4.54 C ATOM 924 CG GLN A 65 8.349 -6.028 0.137 1.00 23.33 C ATOM 925 CD GLN A 65 8.427 -5.045 -1.018 1.00 3.40 C ATOM 926 OE1 GLN A 65 7.904 -5.306 -2.102 1.00 72.04 O ATOM 927 NE2 GLN A 65 9.041 -3.910 -0.800 1.00 20.33 N ATOM 0 H GLN A 65 7.245 -8.163 0.852 1.00 44.02 H new ATOM 0 HA GLN A 65 10.100 -8.900 1.041 1.00 42.31 H new ATOM 0 HB2 GLN A 65 10.417 -6.518 0.408 1.00 4.54 H new ATOM 0 HB3 GLN A 65 9.614 -7.460 -0.832 1.00 4.54 H new ATOM 0 HG2 GLN A 65 7.402 -6.566 0.081 1.00 23.33 H new ATOM 0 HG3 GLN A 65 8.345 -5.472 1.075 1.00 23.33 H new ATOM 0 HE21 GLN A 65 9.464 -3.725 0.110 1.00 20.33 H new ATOM 0 HE22 GLN A 65 9.097 -3.210 -1.540 1.00 20.33 H new ATOM 936 N PRO A 66 10.420 -7.764 3.276 1.00 61.11 N ATOM 937 CA PRO A 66 10.519 -7.356 4.672 1.00 10.30 C ATOM 938 C PRO A 66 10.301 -5.855 4.899 1.00 21.53 C ATOM 939 O PRO A 66 9.990 -5.438 6.013 1.00 43.31 O ATOM 940 CB PRO A 66 11.936 -7.766 5.081 1.00 31.54 C ATOM 941 CG PRO A 66 12.689 -7.896 3.800 1.00 75.22 C ATOM 942 CD PRO A 66 11.695 -8.312 2.768 1.00 11.04 C ATOM 0 HA PRO A 66 9.736 -7.828 5.266 1.00 10.30 H new ATOM 0 HB2 PRO A 66 12.390 -7.018 5.731 1.00 31.54 H new ATOM 0 HB3 PRO A 66 11.931 -8.706 5.632 1.00 31.54 H new ATOM 0 HG2 PRO A 66 13.159 -6.951 3.528 1.00 75.22 H new ATOM 0 HG3 PRO A 66 13.486 -8.634 3.891 1.00 75.22 H new ATOM 0 HD2 PRO A 66 11.943 -7.908 1.786 1.00 11.04 H new ATOM 0 HD3 PRO A 66 11.653 -9.396 2.665 1.00 11.04 H new ATOM 950 N THR A 67 10.437 -5.043 3.864 1.00 64.41 N ATOM 951 CA THR A 67 10.314 -3.609 4.040 1.00 30.13 C ATOM 952 C THR A 67 9.763 -2.932 2.781 1.00 23.23 C ATOM 953 O THR A 67 10.218 -3.209 1.667 1.00 72.51 O ATOM 954 CB THR A 67 11.693 -2.981 4.392 1.00 11.00 C ATOM 955 OG1 THR A 67 12.271 -3.681 5.512 1.00 50.21 O ATOM 956 CG2 THR A 67 11.553 -1.502 4.753 1.00 55.11 C ATOM 0 H THR A 67 10.629 -5.347 2.909 1.00 64.41 H new ATOM 0 HA THR A 67 9.615 -3.445 4.860 1.00 30.13 H new ATOM 0 HB THR A 67 12.336 -3.068 3.516 1.00 11.00 H new ATOM 0 HG1 THR A 67 13.140 -3.285 5.732 1.00 50.21 H new ATOM 0 HG21 THR A 67 12.534 -1.092 4.994 1.00 55.11 H new ATOM 0 HG22 THR A 67 11.131 -0.959 3.907 1.00 55.11 H new ATOM 0 HG23 THR A 67 10.895 -1.399 5.616 1.00 55.11 H new ATOM 964 N THR A 68 8.758 -2.119 2.965 1.00 43.21 N ATOM 965 CA THR A 68 8.223 -1.278 1.936 1.00 33.10 C ATOM 966 C THR A 68 8.060 0.129 2.533 1.00 72.21 C ATOM 967 O THR A 68 7.265 0.327 3.450 1.00 71.33 O ATOM 968 CB THR A 68 6.843 -1.805 1.481 1.00 3.25 C ATOM 969 OG1 THR A 68 6.954 -3.189 1.133 1.00 50.35 O ATOM 970 CG2 THR A 68 6.339 -1.030 0.273 1.00 1.34 C ATOM 0 H THR A 68 8.278 -2.023 3.860 1.00 43.21 H new ATOM 0 HA THR A 68 8.888 -1.265 1.072 1.00 33.10 H new ATOM 0 HB THR A 68 6.137 -1.676 2.302 1.00 3.25 H new ATOM 0 HG1 THR A 68 6.416 -3.370 0.334 1.00 50.35 H new ATOM 0 HG21 THR A 68 5.366 -1.419 -0.029 1.00 1.34 H new ATOM 0 HG22 THR A 68 6.244 0.025 0.531 1.00 1.34 H new ATOM 0 HG23 THR A 68 7.045 -1.140 -0.550 1.00 1.34 H new ATOM 978 N THR A 69 8.817 1.078 2.051 1.00 40.21 N ATOM 979 CA THR A 69 8.743 2.425 2.580 1.00 54.34 C ATOM 980 C THR A 69 7.749 3.250 1.758 1.00 43.54 C ATOM 981 O THR A 69 7.729 3.153 0.518 1.00 50.51 O ATOM 982 CB THR A 69 10.137 3.087 2.558 1.00 42.22 C ATOM 983 OG1 THR A 69 11.085 2.198 3.167 1.00 73.24 O ATOM 984 CG2 THR A 69 10.136 4.406 3.327 1.00 45.14 C ATOM 0 H THR A 69 9.491 0.950 1.296 1.00 40.21 H new ATOM 0 HA THR A 69 8.399 2.382 3.613 1.00 54.34 H new ATOM 0 HB THR A 69 10.405 3.290 1.521 1.00 42.22 H new ATOM 0 HG1 THR A 69 11.974 2.610 3.156 1.00 73.24 H new ATOM 0 HG21 THR A 69 11.132 4.848 3.293 1.00 45.14 H new ATOM 0 HG22 THR A 69 9.420 5.091 2.874 1.00 45.14 H new ATOM 0 HG23 THR A 69 9.856 4.222 4.364 1.00 45.14 H new ATOM 992 N ALA A 70 6.940 4.043 2.437 1.00 24.43 N ATOM 993 CA ALA A 70 5.935 4.855 1.797 1.00 41.24 C ATOM 994 C ALA A 70 6.208 6.316 2.055 1.00 70.44 C ATOM 995 O ALA A 70 6.577 6.699 3.182 1.00 41.00 O ATOM 996 CB ALA A 70 4.558 4.491 2.332 1.00 21.45 C ATOM 0 H ALA A 70 6.966 4.138 3.452 1.00 24.43 H new ATOM 0 HA ALA A 70 5.965 4.670 0.723 1.00 41.24 H new ATOM 0 HB1 ALA A 70 3.803 5.108 1.844 1.00 21.45 H new ATOM 0 HB2 ALA A 70 4.354 3.440 2.128 1.00 21.45 H new ATOM 0 HB3 ALA A 70 4.528 4.664 3.408 1.00 21.45 H new ATOM 1002 N GLY A 71 6.065 7.111 1.022 1.00 40.04 N ATOM 1003 CA GLY A 71 6.255 8.535 1.113 1.00 53.24 C ATOM 1004 C GLY A 71 6.732 9.064 -0.208 1.00 2.12 C ATOM 1005 O GLY A 71 6.438 8.466 -1.251 1.00 75.23 O ATOM 0 H GLY A 71 5.812 6.784 0.090 1.00 40.04 H new ATOM 0 HA2 GLY A 71 5.320 9.020 1.394 1.00 53.24 H new ATOM 0 HA3 GLY A 71 6.981 8.766 1.892 1.00 53.24 H new ATOM 1009 N ARG A 72 7.441 10.156 -0.189 1.00 5.00 N ATOM 1010 CA ARG A 72 8.026 10.688 -1.383 1.00 2.41 C ATOM 1011 C ARG A 72 9.513 10.675 -1.147 1.00 63.52 C ATOM 1012 O ARG A 72 9.997 11.374 -0.259 1.00 23.23 O ATOM 1013 CB ARG A 72 7.562 12.132 -1.580 1.00 4.54 C ATOM 1014 CG ARG A 72 7.960 12.735 -2.906 1.00 42.44 C ATOM 1015 CD ARG A 72 7.681 14.224 -2.951 1.00 21.14 C ATOM 1016 NE ARG A 72 7.786 14.750 -4.318 1.00 73.34 N ATOM 1017 CZ ARG A 72 8.906 15.184 -4.912 1.00 34.51 C ATOM 1018 NH1 ARG A 72 10.063 15.187 -4.264 1.00 54.01 N ATOM 1019 NH2 ARG A 72 8.853 15.641 -6.158 1.00 65.13 N ATOM 0 H ARG A 72 7.629 10.700 0.653 1.00 5.00 H new ATOM 0 HA ARG A 72 7.744 10.111 -2.264 1.00 2.41 H new ATOM 0 HB2 ARG A 72 6.476 12.169 -1.488 1.00 4.54 H new ATOM 0 HB3 ARG A 72 7.971 12.746 -0.777 1.00 4.54 H new ATOM 0 HG2 ARG A 72 9.021 12.558 -3.082 1.00 42.44 H new ATOM 0 HG3 ARG A 72 7.416 12.238 -3.710 1.00 42.44 H new ATOM 0 HD2 ARG A 72 6.683 14.420 -2.560 1.00 21.14 H new ATOM 0 HD3 ARG A 72 8.385 14.747 -2.304 1.00 21.14 H new ATOM 0 HE ARG A 72 6.927 14.789 -4.866 1.00 73.34 H new ATOM 0 HH11 ARG A 72 10.109 14.856 -3.300 1.00 54.01 H new ATOM 0 HH12 ARG A 72 10.907 15.520 -4.729 1.00 54.01 H new ATOM 0 HH21 ARG A 72 7.963 15.660 -6.657 1.00 65.13 H new ATOM 0 HH22 ARG A 72 9.702 15.973 -6.616 1.00 65.13 H new ATOM 1033 N HIS A 73 10.237 9.934 -1.949 1.00 14.10 N ATOM 1034 CA HIS A 73 11.649 9.754 -1.745 1.00 54.23 C ATOM 1035 C HIS A 73 12.138 8.797 -2.832 1.00 63.11 C ATOM 1036 O HIS A 73 11.422 7.872 -3.186 1.00 53.21 O ATOM 1037 CB HIS A 73 11.830 9.057 -0.361 1.00 63.33 C ATOM 1038 CG HIS A 73 13.198 9.068 0.239 1.00 65.11 C ATOM 1039 ND1 HIS A 73 13.432 8.923 1.583 1.00 50.31 N ATOM 1040 CD2 HIS A 73 14.397 9.170 -0.334 1.00 24.03 C ATOM 1041 CE1 HIS A 73 14.743 8.942 1.779 1.00 73.20 C ATOM 1042 NE2 HIS A 73 15.384 9.091 0.629 1.00 24.25 N ATOM 0 H HIS A 73 9.863 9.440 -2.759 1.00 14.10 H new ATOM 0 HA HIS A 73 12.193 10.698 -1.779 1.00 54.23 H new ATOM 0 HB2 HIS A 73 11.148 9.529 0.346 1.00 63.33 H new ATOM 0 HB3 HIS A 73 11.515 8.019 -0.463 1.00 63.33 H new ATOM 0 HD1 HIS A 73 12.720 8.819 2.306 1.00 50.31 H new ATOM 0 HD2 HIS A 73 14.571 9.296 -1.393 1.00 24.03 H new ATOM 0 HE1 HIS A 73 15.222 8.849 2.742 1.00 73.20 H new ATOM 1050 N PRO A 74 13.306 9.018 -3.441 1.00 2.13 N ATOM 1051 CA PRO A 74 13.919 8.010 -4.315 1.00 15.34 C ATOM 1052 C PRO A 74 14.018 6.624 -3.623 1.00 52.33 C ATOM 1053 O PRO A 74 13.911 5.598 -4.270 1.00 33.23 O ATOM 1054 CB PRO A 74 15.322 8.567 -4.608 1.00 62.14 C ATOM 1055 CG PRO A 74 15.443 9.836 -3.816 1.00 44.24 C ATOM 1056 CD PRO A 74 14.049 10.281 -3.481 1.00 63.33 C ATOM 0 HA PRO A 74 13.327 7.845 -5.216 1.00 15.34 H new ATOM 0 HB2 PRO A 74 16.093 7.853 -4.318 1.00 62.14 H new ATOM 0 HB3 PRO A 74 15.450 8.759 -5.673 1.00 62.14 H new ATOM 0 HG2 PRO A 74 16.023 9.670 -2.908 1.00 44.24 H new ATOM 0 HG3 PRO A 74 15.964 10.601 -4.391 1.00 44.24 H new ATOM 0 HD2 PRO A 74 14.010 10.804 -2.525 1.00 63.33 H new ATOM 0 HD3 PRO A 74 13.650 10.962 -4.233 1.00 63.33 H new ATOM 1064 N GLU A 75 14.167 6.633 -2.298 1.00 44.30 N ATOM 1065 CA GLU A 75 14.274 5.417 -1.498 1.00 20.24 C ATOM 1066 C GLU A 75 12.907 4.876 -1.027 1.00 11.11 C ATOM 1067 O GLU A 75 12.860 3.906 -0.269 1.00 0.22 O ATOM 1068 CB GLU A 75 15.193 5.647 -0.284 1.00 30.44 C ATOM 1069 CG GLU A 75 16.672 5.784 -0.624 1.00 54.44 C ATOM 1070 CD GLU A 75 17.266 4.482 -1.109 1.00 23.22 C ATOM 1071 OE1 GLU A 75 17.082 4.131 -2.283 1.00 30.22 O ATOM 1072 OE2 GLU A 75 17.917 3.770 -0.309 1.00 50.40 O ATOM 0 H GLU A 75 14.217 7.491 -1.748 1.00 44.30 H new ATOM 0 HA GLU A 75 14.708 4.660 -2.151 1.00 20.24 H new ATOM 0 HB2 GLU A 75 14.868 6.549 0.235 1.00 30.44 H new ATOM 0 HB3 GLU A 75 15.069 4.817 0.411 1.00 30.44 H new ATOM 0 HG2 GLU A 75 16.798 6.548 -1.391 1.00 54.44 H new ATOM 0 HG3 GLU A 75 17.216 6.124 0.257 1.00 54.44 H new ATOM 1079 N SER A 76 11.802 5.480 -1.449 1.00 72.23 N ATOM 1080 CA SER A 76 10.515 4.947 -1.056 1.00 42.43 C ATOM 1081 C SER A 76 10.068 3.931 -2.090 1.00 53.30 C ATOM 1082 O SER A 76 9.864 4.285 -3.267 1.00 53.32 O ATOM 1083 CB SER A 76 9.457 6.055 -0.861 1.00 3.31 C ATOM 1084 OG SER A 76 9.239 6.786 -2.051 1.00 53.32 O ATOM 0 H SER A 76 11.774 6.309 -2.042 1.00 72.23 H new ATOM 0 HA SER A 76 10.621 4.460 -0.087 1.00 42.43 H new ATOM 0 HB2 SER A 76 8.519 5.608 -0.532 1.00 3.31 H new ATOM 0 HB3 SER A 76 9.782 6.733 -0.072 1.00 3.31 H new ATOM 0 HG SER A 76 10.041 7.306 -2.267 1.00 53.32 H new ATOM 1090 N ASP A 77 9.949 2.676 -1.671 1.00 11.34 N ATOM 1091 CA ASP A 77 9.545 1.585 -2.558 1.00 34.04 C ATOM 1092 C ASP A 77 8.170 1.847 -3.144 1.00 44.02 C ATOM 1093 O ASP A 77 7.904 1.515 -4.293 1.00 75.14 O ATOM 1094 CB ASP A 77 9.609 0.236 -1.853 1.00 61.31 C ATOM 1095 CG ASP A 77 9.296 -0.923 -2.774 1.00 11.43 C ATOM 1096 OD1 ASP A 77 9.975 -1.075 -3.829 1.00 51.42 O ATOM 1097 OD2 ASP A 77 8.416 -1.707 -2.457 1.00 44.34 O ATOM 0 H ASP A 77 10.129 2.384 -0.710 1.00 11.34 H new ATOM 0 HA ASP A 77 10.256 1.545 -3.383 1.00 34.04 H new ATOM 0 HB2 ASP A 77 10.604 0.099 -1.430 1.00 61.31 H new ATOM 0 HB3 ASP A 77 8.905 0.233 -1.020 1.00 61.31 H new ATOM 1102 N ILE A 78 7.305 2.462 -2.372 1.00 24.13 N ATOM 1103 CA ILE A 78 6.065 2.938 -2.914 1.00 52.12 C ATOM 1104 C ILE A 78 6.066 4.455 -2.841 1.00 43.21 C ATOM 1105 O ILE A 78 6.090 5.053 -1.758 1.00 11.41 O ATOM 1106 CB ILE A 78 4.780 2.299 -2.295 1.00 22.21 C ATOM 1107 CG1 ILE A 78 4.675 2.526 -0.786 1.00 21.22 C ATOM 1108 CG2 ILE A 78 4.735 0.809 -2.609 1.00 34.23 C ATOM 1109 CD1 ILE A 78 3.391 1.996 -0.188 1.00 73.44 C ATOM 0 H ILE A 78 7.439 2.641 -1.377 1.00 24.13 H new ATOM 0 HA ILE A 78 6.011 2.612 -3.953 1.00 52.12 H new ATOM 0 HB ILE A 78 3.924 2.797 -2.750 1.00 22.21 H new ATOM 0 HG12 ILE A 78 5.521 2.047 -0.294 1.00 21.22 H new ATOM 0 HG13 ILE A 78 4.750 3.594 -0.580 1.00 21.22 H new ATOM 0 HG21 ILE A 78 3.836 0.372 -2.174 1.00 34.23 H new ATOM 0 HG22 ILE A 78 4.722 0.665 -3.689 1.00 34.23 H new ATOM 0 HG23 ILE A 78 5.615 0.322 -2.189 1.00 34.23 H new ATOM 0 HD11 ILE A 78 3.382 2.190 0.885 1.00 73.44 H new ATOM 0 HD12 ILE A 78 2.540 2.493 -0.654 1.00 73.44 H new ATOM 0 HD13 ILE A 78 3.324 0.922 -0.363 1.00 73.44 H new ATOM 1121 N PHE A 79 6.121 5.059 -3.988 1.00 43.22 N ATOM 1122 CA PHE A 79 6.257 6.489 -4.116 1.00 41.53 C ATOM 1123 C PHE A 79 4.892 7.151 -4.260 1.00 23.43 C ATOM 1124 O PHE A 79 4.127 6.826 -5.167 1.00 53.52 O ATOM 1125 CB PHE A 79 7.144 6.782 -5.335 1.00 73.31 C ATOM 1126 CG PHE A 79 7.419 8.232 -5.621 1.00 65.44 C ATOM 1127 CD1 PHE A 79 8.394 8.913 -4.918 1.00 44.31 C ATOM 1128 CD2 PHE A 79 6.719 8.905 -6.611 1.00 73.11 C ATOM 1129 CE1 PHE A 79 8.668 10.234 -5.194 1.00 73.42 C ATOM 1130 CE2 PHE A 79 6.991 10.224 -6.895 1.00 41.12 C ATOM 1131 CZ PHE A 79 7.966 10.892 -6.184 1.00 30.12 C ATOM 0 H PHE A 79 6.072 4.569 -4.881 1.00 43.22 H new ATOM 0 HA PHE A 79 6.720 6.900 -3.219 1.00 41.53 H new ATOM 0 HB2 PHE A 79 8.098 6.273 -5.195 1.00 73.31 H new ATOM 0 HB3 PHE A 79 6.674 6.342 -6.215 1.00 73.31 H new ATOM 0 HD1 PHE A 79 8.948 8.404 -4.143 1.00 44.31 H new ATOM 0 HD2 PHE A 79 5.951 8.388 -7.166 1.00 73.11 H new ATOM 0 HE1 PHE A 79 9.432 10.755 -4.636 1.00 73.42 H new ATOM 0 HE2 PHE A 79 6.442 10.735 -7.673 1.00 41.12 H new ATOM 0 HZ PHE A 79 8.180 11.928 -6.401 1.00 30.12 H new ATOM 1141 N LEU A 80 4.584 8.037 -3.355 1.00 71.13 N ATOM 1142 CA LEU A 80 3.354 8.791 -3.396 1.00 23.41 C ATOM 1143 C LEU A 80 3.712 10.258 -3.470 1.00 13.03 C ATOM 1144 O LEU A 80 4.384 10.780 -2.584 1.00 4.22 O ATOM 1145 CB LEU A 80 2.475 8.541 -2.139 1.00 24.03 C ATOM 1146 CG LEU A 80 1.957 7.105 -1.871 1.00 34.54 C ATOM 1147 CD1 LEU A 80 1.286 6.496 -3.091 1.00 63.55 C ATOM 1148 CD2 LEU A 80 3.034 6.191 -1.302 1.00 55.41 C ATOM 0 H LEU A 80 5.182 8.261 -2.560 1.00 71.13 H new ATOM 0 HA LEU A 80 2.777 8.475 -4.265 1.00 23.41 H new ATOM 0 HB2 LEU A 80 3.048 8.855 -1.266 1.00 24.03 H new ATOM 0 HB3 LEU A 80 1.608 9.199 -2.205 1.00 24.03 H new ATOM 0 HG LEU A 80 1.191 7.200 -1.102 1.00 34.54 H new ATOM 0 HD11 LEU A 80 0.941 5.490 -2.852 1.00 63.55 H new ATOM 0 HD12 LEU A 80 0.436 7.112 -3.384 1.00 63.55 H new ATOM 0 HD13 LEU A 80 2.000 6.449 -3.913 1.00 63.55 H new ATOM 0 HD21 LEU A 80 2.617 5.198 -1.133 1.00 55.41 H new ATOM 0 HD22 LEU A 80 3.862 6.122 -2.007 1.00 55.41 H new ATOM 0 HD23 LEU A 80 3.395 6.598 -0.357 1.00 55.41 H new ATOM 1160 N ASP A 81 3.298 10.914 -4.521 1.00 10.14 N ATOM 1161 CA ASP A 81 3.615 12.319 -4.705 1.00 12.51 C ATOM 1162 C ASP A 81 2.377 13.147 -4.929 1.00 13.34 C ATOM 1163 O ASP A 81 1.577 12.851 -5.817 1.00 23.22 O ATOM 1164 CB ASP A 81 4.604 12.519 -5.850 1.00 1.43 C ATOM 1165 CG ASP A 81 4.822 13.974 -6.197 1.00 74.33 C ATOM 1166 OD1 ASP A 81 5.371 14.727 -5.374 1.00 61.24 O ATOM 1167 OD2 ASP A 81 4.479 14.378 -7.322 1.00 72.42 O ATOM 0 H ASP A 81 2.739 10.503 -5.269 1.00 10.14 H new ATOM 0 HA ASP A 81 4.084 12.662 -3.782 1.00 12.51 H new ATOM 0 HB2 ASP A 81 5.559 12.069 -5.580 1.00 1.43 H new ATOM 0 HB3 ASP A 81 4.241 11.992 -6.732 1.00 1.43 H new ATOM 1172 N ASP A 82 2.234 14.156 -4.091 1.00 41.41 N ATOM 1173 CA ASP A 82 1.143 15.132 -4.102 1.00 23.33 C ATOM 1174 C ASP A 82 1.435 16.020 -2.899 1.00 23.51 C ATOM 1175 O ASP A 82 2.613 16.221 -2.595 1.00 43.41 O ATOM 1176 CB ASP A 82 -0.233 14.431 -3.961 1.00 4.52 C ATOM 1177 CG ASP A 82 -1.409 15.350 -4.253 1.00 40.21 C ATOM 1178 OD1 ASP A 82 -1.773 15.538 -5.434 1.00 63.00 O ATOM 1179 OD2 ASP A 82 -1.989 15.890 -3.296 1.00 0.50 O ATOM 0 H ASP A 82 2.905 14.332 -3.344 1.00 41.41 H new ATOM 0 HA ASP A 82 1.091 15.695 -5.034 1.00 23.33 H new ATOM 0 HB2 ASP A 82 -0.270 13.579 -4.639 1.00 4.52 H new ATOM 0 HB3 ASP A 82 -0.331 14.038 -2.949 1.00 4.52 H new ATOM 1184 N VAL A 83 0.418 16.519 -2.208 1.00 32.52 N ATOM 1185 CA VAL A 83 0.591 17.347 -0.993 1.00 32.45 C ATOM 1186 C VAL A 83 1.401 16.590 0.082 1.00 15.35 C ATOM 1187 O VAL A 83 2.036 17.198 0.957 1.00 34.55 O ATOM 1188 CB VAL A 83 -0.793 17.768 -0.396 1.00 63.22 C ATOM 1189 CG1 VAL A 83 -0.641 18.679 0.821 1.00 44.43 C ATOM 1190 CG2 VAL A 83 -1.629 18.451 -1.445 1.00 24.43 C ATOM 0 H VAL A 83 -0.558 16.368 -2.465 1.00 32.52 H new ATOM 0 HA VAL A 83 1.138 18.243 -1.288 1.00 32.45 H new ATOM 0 HB VAL A 83 -1.293 16.857 -0.067 1.00 63.22 H new ATOM 0 HG11 VAL A 83 -1.627 18.945 1.201 1.00 44.43 H new ATOM 0 HG12 VAL A 83 -0.081 18.158 1.598 1.00 44.43 H new ATOM 0 HG13 VAL A 83 -0.106 19.584 0.533 1.00 44.43 H new ATOM 0 HG21 VAL A 83 -2.589 18.738 -1.015 1.00 24.43 H new ATOM 0 HG22 VAL A 83 -1.110 19.341 -1.801 1.00 24.43 H new ATOM 0 HG23 VAL A 83 -1.794 17.769 -2.279 1.00 24.43 H new ATOM 1200 N THR A 84 1.389 15.280 0.003 1.00 2.20 N ATOM 1201 CA THR A 84 2.124 14.464 0.915 1.00 32.12 C ATOM 1202 C THR A 84 3.622 14.478 0.550 1.00 73.42 C ATOM 1203 O THR A 84 4.116 13.624 -0.184 1.00 75.33 O ATOM 1204 CB THR A 84 1.585 13.024 0.924 1.00 53.43 C ATOM 1205 OG1 THR A 84 0.145 13.059 1.093 1.00 52.33 O ATOM 1206 CG2 THR A 84 2.209 12.227 2.071 1.00 64.13 C ATOM 0 H THR A 84 0.866 14.758 -0.700 1.00 2.20 H new ATOM 0 HA THR A 84 2.002 14.874 1.917 1.00 32.12 H new ATOM 0 HB THR A 84 1.842 12.542 -0.019 1.00 53.43 H new ATOM 0 HG1 THR A 84 -0.206 12.144 1.098 1.00 52.33 H new ATOM 0 HG21 THR A 84 1.817 11.210 2.063 1.00 64.13 H new ATOM 0 HG22 THR A 84 3.292 12.199 1.948 1.00 64.13 H new ATOM 0 HG23 THR A 84 1.964 12.703 3.020 1.00 64.13 H new ATOM 1214 N VAL A 85 4.292 15.514 0.983 1.00 23.03 N ATOM 1215 CA VAL A 85 5.704 15.663 0.785 1.00 23.44 C ATOM 1216 C VAL A 85 6.397 15.337 2.083 1.00 70.44 C ATOM 1217 O VAL A 85 6.284 16.076 3.055 1.00 13.51 O ATOM 1218 CB VAL A 85 6.091 17.102 0.346 1.00 70.42 C ATOM 1219 CG1 VAL A 85 7.594 17.212 0.109 1.00 41.03 C ATOM 1220 CG2 VAL A 85 5.327 17.515 -0.903 1.00 21.23 C ATOM 0 H VAL A 85 3.862 16.288 1.490 1.00 23.03 H new ATOM 0 HA VAL A 85 6.011 14.988 -0.014 1.00 23.44 H new ATOM 0 HB VAL A 85 5.819 17.781 1.154 1.00 70.42 H new ATOM 0 HG11 VAL A 85 7.841 18.229 -0.197 1.00 41.03 H new ATOM 0 HG12 VAL A 85 8.126 16.971 1.029 1.00 41.03 H new ATOM 0 HG13 VAL A 85 7.891 16.515 -0.675 1.00 41.03 H new ATOM 0 HG21 VAL A 85 5.617 18.526 -1.189 1.00 21.23 H new ATOM 0 HG22 VAL A 85 5.560 16.827 -1.716 1.00 21.23 H new ATOM 0 HG23 VAL A 85 4.256 17.488 -0.700 1.00 21.23 H new ATOM 1230 N SER A 86 7.007 14.196 2.120 1.00 31.31 N ATOM 1231 CA SER A 86 7.778 13.718 3.236 1.00 13.14 C ATOM 1232 C SER A 86 8.621 12.589 2.727 1.00 63.34 C ATOM 1233 O SER A 86 8.110 11.750 1.986 1.00 63.11 O ATOM 1234 CB SER A 86 6.872 13.198 4.373 1.00 72.22 C ATOM 1235 OG SER A 86 6.091 14.234 4.964 1.00 2.34 O ATOM 0 H SER A 86 6.984 13.538 1.341 1.00 31.31 H new ATOM 0 HA SER A 86 8.379 14.531 3.643 1.00 13.14 H new ATOM 0 HB2 SER A 86 6.210 12.426 3.981 1.00 72.22 H new ATOM 0 HB3 SER A 86 7.489 12.730 5.140 1.00 72.22 H new ATOM 0 HG SER A 86 6.257 15.078 4.494 1.00 2.34 H new ATOM 1241 N ARG A 87 9.887 12.557 3.114 1.00 55.11 N ATOM 1242 CA ARG A 87 10.798 11.505 2.666 1.00 41.14 C ATOM 1243 C ARG A 87 10.366 10.130 3.177 1.00 24.43 C ATOM 1244 O ARG A 87 10.693 9.101 2.600 1.00 70.22 O ATOM 1245 CB ARG A 87 12.249 11.828 3.038 1.00 64.12 C ATOM 1246 CG ARG A 87 12.515 12.048 4.520 1.00 44.35 C ATOM 1247 CD ARG A 87 13.949 12.441 4.718 1.00 34.42 C ATOM 1248 NE ARG A 87 14.309 12.744 6.103 1.00 73.35 N ATOM 1249 CZ ARG A 87 15.457 12.337 6.677 1.00 24.14 C ATOM 1250 NH1 ARG A 87 16.169 11.354 6.124 1.00 61.03 N ATOM 1251 NH2 ARG A 87 15.857 12.868 7.823 1.00 15.02 N ATOM 0 H ARG A 87 10.310 13.245 3.737 1.00 55.11 H new ATOM 0 HA ARG A 87 10.747 11.467 1.578 1.00 41.14 H new ATOM 0 HB2 ARG A 87 12.884 11.013 2.690 1.00 64.12 H new ATOM 0 HB3 ARG A 87 12.553 12.723 2.496 1.00 64.12 H new ATOM 0 HG2 ARG A 87 11.857 12.826 4.907 1.00 44.35 H new ATOM 0 HG3 ARG A 87 12.296 11.138 5.079 1.00 44.35 H new ATOM 0 HD2 ARG A 87 14.587 11.634 4.358 1.00 34.42 H new ATOM 0 HD3 ARG A 87 14.162 13.314 4.101 1.00 34.42 H new ATOM 0 HE ARG A 87 13.656 13.292 6.663 1.00 73.35 H new ATOM 0 HH11 ARG A 87 15.844 10.910 5.265 1.00 61.03 H new ATOM 0 HH12 ARG A 87 17.038 11.047 6.560 1.00 61.03 H new ATOM 0 HH21 ARG A 87 15.294 13.589 8.275 1.00 15.02 H new ATOM 0 HH22 ARG A 87 16.727 12.556 8.253 1.00 15.02 H new ATOM 1265 N ARG A 88 9.658 10.131 4.273 1.00 73.42 N ATOM 1266 CA ARG A 88 9.063 8.956 4.830 1.00 72.21 C ATOM 1267 C ARG A 88 7.738 9.334 5.466 1.00 11.55 C ATOM 1268 O ARG A 88 7.659 10.312 6.213 1.00 41.43 O ATOM 1269 CB ARG A 88 9.966 8.303 5.887 1.00 71.30 C ATOM 1270 CG ARG A 88 11.212 7.608 5.366 1.00 31.15 C ATOM 1271 CD ARG A 88 11.985 7.002 6.516 1.00 2.34 C ATOM 1272 NE ARG A 88 13.006 6.043 6.079 1.00 12.42 N ATOM 1273 CZ ARG A 88 13.020 4.747 6.445 1.00 3.24 C ATOM 1274 NH1 ARG A 88 12.031 4.275 7.204 1.00 15.42 N ATOM 1275 NH2 ARG A 88 14.005 3.936 6.055 1.00 63.13 N ATOM 0 H ARG A 88 9.476 10.975 4.816 1.00 73.42 H new ATOM 0 HA ARG A 88 8.917 8.234 4.027 1.00 72.21 H new ATOM 0 HB2 ARG A 88 10.273 9.071 6.597 1.00 71.30 H new ATOM 0 HB3 ARG A 88 9.374 7.575 6.441 1.00 71.30 H new ATOM 0 HG2 ARG A 88 10.934 6.831 4.654 1.00 31.15 H new ATOM 0 HG3 ARG A 88 11.839 8.321 4.831 1.00 31.15 H new ATOM 0 HD2 ARG A 88 12.463 7.799 7.085 1.00 2.34 H new ATOM 0 HD3 ARG A 88 11.290 6.502 7.190 1.00 2.34 H new ATOM 0 HE ARG A 88 13.747 6.377 5.463 1.00 12.42 H new ATOM 0 HH11 ARG A 88 11.276 4.893 7.500 1.00 15.42 H new ATOM 0 HH12 ARG A 88 12.029 3.295 7.488 1.00 15.42 H new ATOM 0 HH21 ARG A 88 14.761 4.295 5.472 1.00 63.13 H new ATOM 0 HH22 ARG A 88 14.002 2.957 6.340 1.00 63.13 H new ATOM 1289 N HIS A 89 6.708 8.631 5.108 1.00 75.15 N ATOM 1290 CA HIS A 89 5.411 8.795 5.729 1.00 65.25 C ATOM 1291 C HIS A 89 5.251 7.672 6.751 1.00 72.54 C ATOM 1292 O HIS A 89 5.088 7.907 7.950 1.00 13.45 O ATOM 1293 CB HIS A 89 4.319 8.726 4.631 1.00 42.24 C ATOM 1294 CG HIS A 89 2.895 8.842 5.107 1.00 22.43 C ATOM 1295 ND1 HIS A 89 2.008 7.811 4.948 1.00 13.13 N ATOM 1296 CD2 HIS A 89 2.256 9.887 5.677 1.00 0.44 C ATOM 1297 CE1 HIS A 89 0.860 8.251 5.425 1.00 32.35 C ATOM 1298 NE2 HIS A 89 0.958 9.502 5.874 1.00 24.42 N ATOM 0 H HIS A 89 6.734 7.922 4.375 1.00 75.15 H new ATOM 0 HA HIS A 89 5.317 9.757 6.233 1.00 65.25 H new ATOM 0 HB2 HIS A 89 4.506 9.522 3.910 1.00 42.24 H new ATOM 0 HB3 HIS A 89 4.427 7.781 4.098 1.00 42.24 H new ATOM 0 HD2 HIS A 89 2.688 10.844 5.929 1.00 0.44 H new ATOM 0 HE1 HIS A 89 -0.049 7.668 5.449 1.00 32.35 H new ATOM 0 HE2 HIS A 89 0.211 10.063 6.284 1.00 24.42 H new ATOM 1306 N ALA A 90 5.458 6.464 6.276 1.00 42.01 N ATOM 1307 CA ALA A 90 5.330 5.277 7.079 1.00 42.42 C ATOM 1308 C ALA A 90 6.131 4.177 6.428 1.00 51.41 C ATOM 1309 O ALA A 90 6.549 4.316 5.262 1.00 3.05 O ATOM 1310 CB ALA A 90 3.869 4.854 7.151 1.00 33.23 C ATOM 0 H ALA A 90 5.723 6.280 5.308 1.00 42.01 H new ATOM 0 HA ALA A 90 5.693 5.472 8.088 1.00 42.42 H new ATOM 0 HB1 ALA A 90 3.780 3.955 7.761 1.00 33.23 H new ATOM 0 HB2 ALA A 90 3.280 5.655 7.598 1.00 33.23 H new ATOM 0 HB3 ALA A 90 3.500 4.649 6.146 1.00 33.23 H new ATOM 1316 N GLU A 91 6.386 3.127 7.148 1.00 72.05 N ATOM 1317 CA GLU A 91 7.031 1.976 6.572 1.00 23.21 C ATOM 1318 C GLU A 91 6.237 0.735 6.892 1.00 61.11 C ATOM 1319 O GLU A 91 5.678 0.600 7.993 1.00 21.13 O ATOM 1320 CB GLU A 91 8.507 1.824 6.987 1.00 51.34 C ATOM 1321 CG GLU A 91 8.765 1.696 8.479 1.00 11.45 C ATOM 1322 CD GLU A 91 10.209 1.368 8.769 1.00 33.24 C ATOM 1323 OE1 GLU A 91 11.084 2.243 8.592 1.00 21.42 O ATOM 1324 OE2 GLU A 91 10.509 0.230 9.148 1.00 44.21 O ATOM 0 H GLU A 91 6.158 3.039 8.138 1.00 72.05 H new ATOM 0 HA GLU A 91 7.051 2.126 5.493 1.00 23.21 H new ATOM 0 HB2 GLU A 91 8.916 0.944 6.490 1.00 51.34 H new ATOM 0 HB3 GLU A 91 9.060 2.686 6.614 1.00 51.34 H new ATOM 0 HG2 GLU A 91 8.497 2.628 8.976 1.00 11.45 H new ATOM 0 HG3 GLU A 91 8.125 0.918 8.894 1.00 11.45 H new ATOM 1331 N PHE A 92 6.127 -0.129 5.929 1.00 40.45 N ATOM 1332 CA PHE A 92 5.419 -1.361 6.100 1.00 13.24 C ATOM 1333 C PHE A 92 6.446 -2.453 6.143 1.00 15.11 C ATOM 1334 O PHE A 92 7.287 -2.548 5.248 1.00 61.43 O ATOM 1335 CB PHE A 92 4.456 -1.637 4.924 1.00 55.43 C ATOM 1336 CG PHE A 92 3.549 -0.493 4.525 1.00 3.04 C ATOM 1337 CD1 PHE A 92 3.084 0.423 5.451 1.00 71.40 C ATOM 1338 CD2 PHE A 92 3.160 -0.353 3.206 1.00 64.20 C ATOM 1339 CE1 PHE A 92 2.254 1.459 5.070 1.00 4.45 C ATOM 1340 CE2 PHE A 92 2.329 0.679 2.821 1.00 31.45 C ATOM 1341 CZ PHE A 92 1.878 1.587 3.754 1.00 14.20 C ATOM 0 H PHE A 92 6.527 0.001 5.000 1.00 40.45 H new ATOM 0 HA PHE A 92 4.824 -1.312 7.012 1.00 13.24 H new ATOM 0 HB2 PHE A 92 5.048 -1.924 4.055 1.00 55.43 H new ATOM 0 HB3 PHE A 92 3.834 -2.494 5.183 1.00 55.43 H new ATOM 0 HD1 PHE A 92 3.374 0.327 6.487 1.00 71.40 H new ATOM 0 HD2 PHE A 92 3.511 -1.060 2.468 1.00 64.20 H new ATOM 0 HE1 PHE A 92 1.901 2.167 5.805 1.00 4.45 H new ATOM 0 HE2 PHE A 92 2.032 0.775 1.787 1.00 31.45 H new ATOM 0 HZ PHE A 92 1.231 2.397 3.452 1.00 14.20 H new ATOM 1351 N ARG A 93 6.428 -3.232 7.161 1.00 11.34 N ATOM 1352 CA ARG A 93 7.353 -4.317 7.269 1.00 42.33 C ATOM 1353 C ARG A 93 6.589 -5.613 7.253 1.00 74.42 C ATOM 1354 O ARG A 93 5.573 -5.761 7.942 1.00 11.32 O ATOM 1355 CB ARG A 93 8.200 -4.211 8.534 1.00 51.43 C ATOM 1356 CG ARG A 93 9.004 -2.926 8.649 1.00 43.44 C ATOM 1357 CD ARG A 93 9.813 -2.911 9.929 1.00 52.41 C ATOM 1358 NE ARG A 93 10.814 -3.996 9.964 1.00 61.04 N ATOM 1359 CZ ARG A 93 10.969 -4.864 10.974 1.00 11.31 C ATOM 1360 NH1 ARG A 93 10.080 -4.917 11.957 1.00 64.55 N ATOM 1361 NH2 ARG A 93 11.981 -5.725 10.954 1.00 1.40 N ATOM 0 H ARG A 93 5.779 -3.143 7.943 1.00 11.34 H new ATOM 0 HA ARG A 93 8.037 -4.279 6.421 1.00 42.33 H new ATOM 0 HB2 ARG A 93 7.546 -4.294 9.402 1.00 51.43 H new ATOM 0 HB3 ARG A 93 8.885 -5.058 8.569 1.00 51.43 H new ATOM 0 HG2 ARG A 93 9.670 -2.830 7.791 1.00 43.44 H new ATOM 0 HG3 ARG A 93 8.332 -2.068 8.628 1.00 43.44 H new ATOM 0 HD2 ARG A 93 10.317 -1.950 10.028 1.00 52.41 H new ATOM 0 HD3 ARG A 93 9.142 -3.009 10.783 1.00 52.41 H new ATOM 0 HE ARG A 93 11.434 -4.092 9.160 1.00 61.04 H new ATOM 0 HH11 ARG A 93 9.272 -4.295 11.948 1.00 64.55 H new ATOM 0 HH12 ARG A 93 10.205 -5.580 12.722 1.00 64.55 H new ATOM 0 HH21 ARG A 93 12.636 -5.724 10.172 1.00 1.40 H new ATOM 0 HH22 ARG A 93 12.103 -6.387 11.720 1.00 1.40 H new ATOM 1375 N ILE A 94 7.029 -6.528 6.446 1.00 61.11 N ATOM 1376 CA ILE A 94 6.383 -7.812 6.360 1.00 34.11 C ATOM 1377 C ILE A 94 7.362 -8.841 6.847 1.00 2.43 C ATOM 1378 O ILE A 94 8.391 -9.093 6.211 1.00 50.31 O ATOM 1379 CB ILE A 94 5.908 -8.172 4.904 1.00 53.43 C ATOM 1380 CG1 ILE A 94 4.867 -7.161 4.364 1.00 52.33 C ATOM 1381 CG2 ILE A 94 5.340 -9.589 4.842 1.00 13.13 C ATOM 1382 CD1 ILE A 94 5.422 -5.823 3.890 1.00 52.54 C ATOM 0 H ILE A 94 7.836 -6.414 5.833 1.00 61.11 H new ATOM 0 HA ILE A 94 5.481 -7.787 6.971 1.00 34.11 H new ATOM 0 HB ILE A 94 6.790 -8.118 4.267 1.00 53.43 H new ATOM 0 HG12 ILE A 94 4.334 -7.626 3.534 1.00 52.33 H new ATOM 0 HG13 ILE A 94 4.133 -6.971 5.147 1.00 52.33 H new ATOM 0 HG21 ILE A 94 5.020 -9.809 3.823 1.00 13.13 H new ATOM 0 HG22 ILE A 94 6.107 -10.302 5.143 1.00 13.13 H new ATOM 0 HG23 ILE A 94 4.486 -9.669 5.515 1.00 13.13 H new ATOM 0 HD11 ILE A 94 4.605 -5.196 3.534 1.00 52.54 H new ATOM 0 HD12 ILE A 94 5.927 -5.325 4.717 1.00 52.54 H new ATOM 0 HD13 ILE A 94 6.131 -5.990 3.079 1.00 52.54 H new ATOM 1394 N ASN A 95 7.059 -9.425 7.962 1.00 32.34 N ATOM 1395 CA ASN A 95 7.959 -10.352 8.593 1.00 10.23 C ATOM 1396 C ASN A 95 7.206 -11.535 9.144 1.00 24.22 C ATOM 1397 O ASN A 95 6.239 -11.357 9.883 1.00 35.13 O ATOM 1398 CB ASN A 95 8.748 -9.629 9.708 1.00 75.35 C ATOM 1399 CG ASN A 95 9.672 -10.545 10.482 1.00 53.45 C ATOM 1400 OD1 ASN A 95 10.818 -10.770 10.085 1.00 1.22 O ATOM 1401 ND2 ASN A 95 9.211 -11.030 11.611 1.00 40.40 N ATOM 0 H ASN A 95 6.184 -9.277 8.464 1.00 32.34 H new ATOM 0 HA ASN A 95 8.663 -10.727 7.851 1.00 10.23 H new ATOM 0 HB2 ASN A 95 9.334 -8.824 9.265 1.00 75.35 H new ATOM 0 HB3 ASN A 95 8.044 -9.167 10.400 1.00 75.35 H new ATOM 0 HD21 ASN A 95 9.807 -11.616 12.195 1.00 40.40 H new ATOM 0 HD22 ASN A 95 8.257 -10.820 11.904 1.00 40.40 H new ATOM 1408 N GLU A 96 7.621 -12.736 8.742 1.00 2.44 N ATOM 1409 CA GLU A 96 7.079 -14.005 9.255 1.00 1.25 C ATOM 1410 C GLU A 96 5.552 -14.108 9.090 1.00 74.15 C ATOM 1411 O GLU A 96 4.853 -14.659 9.947 1.00 63.23 O ATOM 1412 CB GLU A 96 7.486 -14.179 10.721 1.00 24.14 C ATOM 1413 CG GLU A 96 8.988 -14.223 10.927 1.00 32.14 C ATOM 1414 CD GLU A 96 9.373 -14.353 12.375 1.00 12.50 C ATOM 1415 OE1 GLU A 96 9.290 -15.474 12.924 1.00 53.11 O ATOM 1416 OE2 GLU A 96 9.790 -13.345 12.989 1.00 24.45 O ATOM 0 H GLU A 96 8.352 -12.862 8.042 1.00 2.44 H new ATOM 0 HA GLU A 96 7.504 -14.813 8.660 1.00 1.25 H new ATOM 0 HB2 GLU A 96 7.070 -13.358 11.306 1.00 24.14 H new ATOM 0 HB3 GLU A 96 7.047 -15.099 11.106 1.00 24.14 H new ATOM 0 HG2 GLU A 96 9.402 -15.062 10.369 1.00 32.14 H new ATOM 0 HG3 GLU A 96 9.433 -13.316 10.517 1.00 32.14 H new ATOM 1423 N GLY A 97 5.054 -13.602 7.972 1.00 45.21 N ATOM 1424 CA GLY A 97 3.634 -13.662 7.683 1.00 24.45 C ATOM 1425 C GLY A 97 2.833 -12.580 8.367 1.00 43.23 C ATOM 1426 O GLY A 97 1.600 -12.540 8.252 1.00 51.33 O ATOM 0 H GLY A 97 5.614 -13.146 7.252 1.00 45.21 H new ATOM 0 HA2 GLY A 97 3.487 -13.585 6.606 1.00 24.45 H new ATOM 0 HA3 GLY A 97 3.250 -14.635 7.989 1.00 24.45 H new ATOM 1430 N GLU A 98 3.500 -11.722 9.087 1.00 5.40 N ATOM 1431 CA GLU A 98 2.848 -10.667 9.792 1.00 43.44 C ATOM 1432 C GLU A 98 3.191 -9.347 9.150 1.00 74.41 C ATOM 1433 O GLU A 98 4.362 -9.063 8.857 1.00 61.45 O ATOM 1434 CB GLU A 98 3.243 -10.701 11.260 1.00 13.21 C ATOM 1435 CG GLU A 98 3.022 -12.068 11.867 1.00 53.24 C ATOM 1436 CD GLU A 98 3.271 -12.125 13.335 1.00 41.45 C ATOM 1437 OE1 GLU A 98 4.453 -12.188 13.754 1.00 70.23 O ATOM 1438 OE2 GLU A 98 2.301 -12.153 14.105 1.00 61.04 O ATOM 0 H GLU A 98 4.514 -11.739 9.198 1.00 5.40 H new ATOM 0 HA GLU A 98 1.767 -10.797 9.740 1.00 43.44 H new ATOM 0 HB2 GLU A 98 4.292 -10.423 11.361 1.00 13.21 H new ATOM 0 HB3 GLU A 98 2.663 -9.960 11.810 1.00 13.21 H new ATOM 0 HG2 GLU A 98 1.996 -12.381 11.670 1.00 53.24 H new ATOM 0 HG3 GLU A 98 3.675 -12.785 11.370 1.00 53.24 H new ATOM 1445 N PHE A 99 2.184 -8.566 8.910 1.00 12.52 N ATOM 1446 CA PHE A 99 2.333 -7.306 8.241 1.00 43.32 C ATOM 1447 C PHE A 99 2.217 -6.209 9.283 1.00 31.11 C ATOM 1448 O PHE A 99 1.176 -6.079 9.928 1.00 33.34 O ATOM 1449 CB PHE A 99 1.195 -7.141 7.209 1.00 64.11 C ATOM 1450 CG PHE A 99 1.007 -8.312 6.262 1.00 21.45 C ATOM 1451 CD1 PHE A 99 1.695 -8.381 5.068 1.00 52.41 C ATOM 1452 CD2 PHE A 99 0.129 -9.338 6.579 1.00 13.32 C ATOM 1453 CE1 PHE A 99 1.519 -9.448 4.206 1.00 22.35 C ATOM 1454 CE2 PHE A 99 -0.053 -10.406 5.725 1.00 61.42 C ATOM 1455 CZ PHE A 99 0.646 -10.463 4.537 1.00 12.42 C ATOM 0 H PHE A 99 1.224 -8.786 9.175 1.00 12.52 H new ATOM 0 HA PHE A 99 3.295 -7.255 7.732 1.00 43.32 H new ATOM 0 HB2 PHE A 99 0.261 -6.975 7.746 1.00 64.11 H new ATOM 0 HB3 PHE A 99 1.388 -6.245 6.619 1.00 64.11 H new ATOM 0 HD1 PHE A 99 2.381 -7.590 4.803 1.00 52.41 H new ATOM 0 HD2 PHE A 99 -0.420 -9.300 7.508 1.00 13.32 H new ATOM 0 HE1 PHE A 99 2.065 -9.486 3.275 1.00 22.35 H new ATOM 0 HE2 PHE A 99 -0.741 -11.196 5.986 1.00 61.42 H new ATOM 0 HZ PHE A 99 0.510 -11.300 3.868 1.00 12.42 H new ATOM 1465 N GLU A 100 3.256 -5.446 9.466 1.00 34.31 N ATOM 1466 CA GLU A 100 3.238 -4.372 10.435 1.00 41.55 C ATOM 1467 C GLU A 100 3.436 -3.032 9.745 1.00 21.11 C ATOM 1468 O GLU A 100 4.311 -2.877 8.892 1.00 44.45 O ATOM 1469 CB GLU A 100 4.294 -4.587 11.549 1.00 23.21 C ATOM 1470 CG GLU A 100 5.721 -4.727 11.038 1.00 61.14 C ATOM 1471 CD GLU A 100 6.755 -4.846 12.132 1.00 10.41 C ATOM 1472 OE1 GLU A 100 6.794 -5.885 12.828 1.00 14.41 O ATOM 1473 OE2 GLU A 100 7.561 -3.910 12.315 1.00 44.35 O ATOM 0 H GLU A 100 4.134 -5.543 8.957 1.00 34.31 H new ATOM 0 HA GLU A 100 2.260 -4.372 10.916 1.00 41.55 H new ATOM 0 HB2 GLU A 100 4.249 -3.748 12.243 1.00 23.21 H new ATOM 0 HB3 GLU A 100 4.033 -5.482 12.114 1.00 23.21 H new ATOM 0 HG2 GLU A 100 5.782 -5.606 10.397 1.00 61.14 H new ATOM 0 HG3 GLU A 100 5.961 -3.863 10.418 1.00 61.14 H new ATOM 1480 N VAL A 101 2.593 -2.102 10.060 1.00 24.03 N ATOM 1481 CA VAL A 101 2.715 -0.768 9.548 1.00 14.42 C ATOM 1482 C VAL A 101 3.178 0.111 10.674 1.00 22.14 C ATOM 1483 O VAL A 101 2.535 0.167 11.730 1.00 22.14 O ATOM 1484 CB VAL A 101 1.351 -0.238 9.026 1.00 61.23 C ATOM 1485 CG1 VAL A 101 1.454 1.214 8.571 1.00 13.15 C ATOM 1486 CG2 VAL A 101 0.833 -1.113 7.895 1.00 3.42 C ATOM 0 H VAL A 101 1.797 -2.243 10.681 1.00 24.03 H new ATOM 0 HA VAL A 101 3.421 -0.764 8.717 1.00 14.42 H new ATOM 0 HB VAL A 101 0.642 -0.280 9.853 1.00 61.23 H new ATOM 0 HG11 VAL A 101 0.482 1.553 8.212 1.00 13.15 H new ATOM 0 HG12 VAL A 101 1.768 1.836 9.409 1.00 13.15 H new ATOM 0 HG13 VAL A 101 2.185 1.292 7.767 1.00 13.15 H new ATOM 0 HG21 VAL A 101 -0.123 -0.725 7.543 1.00 3.42 H new ATOM 0 HG22 VAL A 101 1.550 -1.109 7.074 1.00 3.42 H new ATOM 0 HG23 VAL A 101 0.700 -2.133 8.256 1.00 3.42 H new ATOM 1496 N VAL A 102 4.277 0.763 10.482 1.00 34.54 N ATOM 1497 CA VAL A 102 4.789 1.659 11.473 1.00 41.22 C ATOM 1498 C VAL A 102 4.884 3.067 10.885 1.00 64.33 C ATOM 1499 O VAL A 102 5.521 3.275 9.841 1.00 42.41 O ATOM 1500 CB VAL A 102 6.193 1.213 11.989 1.00 32.11 C ATOM 1501 CG1 VAL A 102 6.697 2.129 13.101 1.00 41.21 C ATOM 1502 CG2 VAL A 102 6.174 -0.236 12.467 1.00 60.43 C ATOM 0 H VAL A 102 4.846 0.692 9.638 1.00 34.54 H new ATOM 0 HA VAL A 102 4.104 1.649 12.321 1.00 41.22 H new ATOM 0 HB VAL A 102 6.881 1.288 11.147 1.00 32.11 H new ATOM 0 HG11 VAL A 102 7.677 1.789 13.436 1.00 41.21 H new ATOM 0 HG12 VAL A 102 6.776 3.149 12.724 1.00 41.21 H new ATOM 0 HG13 VAL A 102 5.999 2.104 13.937 1.00 41.21 H new ATOM 0 HG21 VAL A 102 7.167 -0.516 12.820 1.00 60.43 H new ATOM 0 HG22 VAL A 102 5.457 -0.341 13.281 1.00 60.43 H new ATOM 0 HG23 VAL A 102 5.885 -0.887 11.642 1.00 60.43 H new ATOM 1512 N ASP A 103 4.252 4.001 11.530 1.00 42.12 N ATOM 1513 CA ASP A 103 4.321 5.415 11.157 1.00 24.13 C ATOM 1514 C ASP A 103 5.661 5.956 11.631 1.00 2.24 C ATOM 1515 O ASP A 103 6.135 5.576 12.714 1.00 55.22 O ATOM 1516 CB ASP A 103 3.158 6.162 11.835 1.00 24.11 C ATOM 1517 CG ASP A 103 3.275 7.672 11.837 1.00 11.42 C ATOM 1518 OD1 ASP A 103 3.887 8.217 12.786 1.00 1.34 O ATOM 1519 OD2 ASP A 103 2.734 8.331 10.941 1.00 23.53 O ATOM 0 H ASP A 103 3.662 3.819 12.342 1.00 42.12 H new ATOM 0 HA ASP A 103 4.237 5.549 10.079 1.00 24.13 H new ATOM 0 HB2 ASP A 103 2.230 5.886 11.335 1.00 24.11 H new ATOM 0 HB3 ASP A 103 3.079 5.818 12.866 1.00 24.11 H new ATOM 1524 N VAL A 104 6.292 6.791 10.842 1.00 64.20 N ATOM 1525 CA VAL A 104 7.621 7.272 11.204 1.00 64.31 C ATOM 1526 C VAL A 104 7.575 8.671 11.808 1.00 71.44 C ATOM 1527 O VAL A 104 8.551 9.121 12.430 1.00 13.30 O ATOM 1528 CB VAL A 104 8.601 7.273 9.999 1.00 12.11 C ATOM 1529 CG1 VAL A 104 8.696 5.889 9.362 1.00 31.23 C ATOM 1530 CG2 VAL A 104 8.205 8.318 8.972 1.00 62.50 C ATOM 0 H VAL A 104 5.924 7.151 9.961 1.00 64.20 H new ATOM 0 HA VAL A 104 7.991 6.571 11.952 1.00 64.31 H new ATOM 0 HB VAL A 104 9.589 7.534 10.378 1.00 12.11 H new ATOM 0 HG11 VAL A 104 9.389 5.922 8.522 1.00 31.23 H new ATOM 0 HG12 VAL A 104 9.055 5.172 10.101 1.00 31.23 H new ATOM 0 HG13 VAL A 104 7.711 5.583 9.008 1.00 31.23 H new ATOM 0 HG21 VAL A 104 8.909 8.296 8.140 1.00 62.50 H new ATOM 0 HG22 VAL A 104 7.201 8.105 8.604 1.00 62.50 H new ATOM 0 HG23 VAL A 104 8.220 9.305 9.433 1.00 62.50 H new ATOM 1540 N GLY A 105 6.455 9.330 11.662 1.00 64.03 N ATOM 1541 CA GLY A 105 6.329 10.684 12.098 1.00 0.34 C ATOM 1542 C GLY A 105 4.955 11.203 11.807 1.00 3.34 C ATOM 1543 O GLY A 105 4.709 11.737 10.727 1.00 40.03 O ATOM 0 H GLY A 105 5.613 8.940 11.239 1.00 64.03 H new ATOM 0 HA2 GLY A 105 6.529 10.748 13.168 1.00 0.34 H new ATOM 0 HA3 GLY A 105 7.072 11.304 11.597 1.00 0.34 H new ATOM 1547 N SER A 106 4.090 11.121 12.805 1.00 72.30 N ATOM 1548 CA SER A 106 2.661 11.454 12.730 1.00 73.52 C ATOM 1549 C SER A 106 2.369 12.949 12.449 1.00 40.14 C ATOM 1550 O SER A 106 1.233 13.410 12.586 1.00 73.34 O ATOM 1551 CB SER A 106 2.011 11.033 14.034 1.00 75.43 C ATOM 1552 OG SER A 106 2.326 9.684 14.324 1.00 15.41 O ATOM 0 H SER A 106 4.369 10.807 13.735 1.00 72.30 H new ATOM 0 HA SER A 106 2.246 10.916 11.878 1.00 73.52 H new ATOM 0 HB2 SER A 106 2.354 11.676 14.844 1.00 75.43 H new ATOM 0 HB3 SER A 106 0.930 11.155 13.966 1.00 75.43 H new ATOM 0 HG SER A 106 2.850 9.305 13.588 1.00 15.41 H new ATOM 1558 N LEU A 107 3.373 13.673 12.026 1.00 20.42 N ATOM 1559 CA LEU A 107 3.232 15.049 11.651 1.00 11.31 C ATOM 1560 C LEU A 107 2.457 15.100 10.350 1.00 54.22 C ATOM 1561 O LEU A 107 1.605 15.960 10.150 1.00 33.33 O ATOM 1562 CB LEU A 107 4.601 15.737 11.459 1.00 11.23 C ATOM 1563 CG LEU A 107 5.512 15.911 12.695 1.00 53.25 C ATOM 1564 CD1 LEU A 107 6.128 14.597 13.155 1.00 23.41 C ATOM 1565 CD2 LEU A 107 6.590 16.939 12.408 1.00 61.41 C ATOM 0 H LEU A 107 4.323 13.315 11.932 1.00 20.42 H new ATOM 0 HA LEU A 107 2.710 15.580 12.447 1.00 11.31 H new ATOM 0 HB2 LEU A 107 5.157 15.169 10.713 1.00 11.23 H new ATOM 0 HB3 LEU A 107 4.420 16.726 11.037 1.00 11.23 H new ATOM 0 HG LEU A 107 4.886 16.266 13.513 1.00 53.25 H new ATOM 0 HD11 LEU A 107 6.759 14.776 14.026 1.00 23.41 H new ATOM 0 HD12 LEU A 107 5.336 13.896 13.418 1.00 23.41 H new ATOM 0 HD13 LEU A 107 6.731 14.177 12.350 1.00 23.41 H new ATOM 0 HD21 LEU A 107 7.226 17.054 13.286 1.00 61.41 H new ATOM 0 HD22 LEU A 107 7.194 16.607 11.563 1.00 61.41 H new ATOM 0 HD23 LEU A 107 6.126 17.896 12.169 1.00 61.41 H new ATOM 1577 N ASN A 108 2.736 14.144 9.486 1.00 52.40 N ATOM 1578 CA ASN A 108 2.048 14.053 8.216 1.00 42.30 C ATOM 1579 C ASN A 108 0.816 13.160 8.343 1.00 74.12 C ATOM 1580 O ASN A 108 -0.126 13.273 7.559 1.00 64.34 O ATOM 1581 CB ASN A 108 3.003 13.579 7.090 1.00 25.41 C ATOM 1582 CG ASN A 108 3.796 12.323 7.423 1.00 40.02 C ATOM 1583 OD1 ASN A 108 3.365 11.486 8.179 1.00 22.43 O ATOM 1584 ND2 ASN A 108 4.967 12.205 6.855 1.00 1.05 N ATOM 0 H ASN A 108 3.436 13.419 9.642 1.00 52.40 H new ATOM 0 HA ASN A 108 1.706 15.049 7.934 1.00 42.30 H new ATOM 0 HB2 ASN A 108 2.419 13.396 6.188 1.00 25.41 H new ATOM 0 HB3 ASN A 108 3.701 14.384 6.860 1.00 25.41 H new ATOM 0 HD21 ASN A 108 5.546 11.387 7.046 1.00 1.05 H new ATOM 0 HD22 ASN A 108 5.302 12.931 6.221 1.00 1.05 H new ATOM 1591 N GLY A 109 0.816 12.329 9.376 1.00 14.13 N ATOM 1592 CA GLY A 109 -0.340 11.540 9.730 1.00 61.32 C ATOM 1593 C GLY A 109 -0.564 10.323 8.856 1.00 54.14 C ATOM 1594 O GLY A 109 -1.151 10.421 7.773 1.00 42.51 O ATOM 0 H GLY A 109 1.620 12.188 9.987 1.00 14.13 H new ATOM 0 HA2 GLY A 109 -0.238 11.214 10.765 1.00 61.32 H new ATOM 0 HA3 GLY A 109 -1.225 12.174 9.681 1.00 61.32 H new ATOM 1598 N THR A 110 -0.080 9.194 9.284 1.00 23.34 N ATOM 1599 CA THR A 110 -0.369 7.968 8.599 1.00 42.42 C ATOM 1600 C THR A 110 -1.755 7.463 9.026 1.00 74.02 C ATOM 1601 O THR A 110 -2.070 7.403 10.233 1.00 45.13 O ATOM 1602 CB THR A 110 0.703 6.908 8.920 1.00 1.14 C ATOM 1603 OG1 THR A 110 1.988 7.435 8.588 1.00 23.30 O ATOM 1604 CG2 THR A 110 0.465 5.630 8.123 1.00 20.30 C ATOM 0 H THR A 110 0.517 9.096 10.105 1.00 23.34 H new ATOM 0 HA THR A 110 -0.363 8.148 7.524 1.00 42.42 H new ATOM 0 HB THR A 110 0.650 6.667 9.982 1.00 1.14 H new ATOM 0 HG1 THR A 110 2.467 7.671 9.410 1.00 23.30 H new ATOM 0 HG21 THR A 110 1.236 4.899 8.369 1.00 20.30 H new ATOM 0 HG22 THR A 110 -0.515 5.222 8.373 1.00 20.30 H new ATOM 0 HG23 THR A 110 0.504 5.854 7.057 1.00 20.30 H new ATOM 1612 N TYR A 111 -2.600 7.128 8.066 1.00 70.14 N ATOM 1613 CA TYR A 111 -3.893 6.625 8.390 1.00 74.23 C ATOM 1614 C TYR A 111 -3.948 5.180 7.944 1.00 23.22 C ATOM 1615 O TYR A 111 -3.685 4.881 6.788 1.00 34.15 O ATOM 1616 CB TYR A 111 -4.990 7.450 7.689 1.00 34.12 C ATOM 1617 CG TYR A 111 -4.918 8.960 7.934 1.00 61.22 C ATOM 1618 CD1 TYR A 111 -5.215 9.507 9.178 1.00 74.20 C ATOM 1619 CD2 TYR A 111 -4.552 9.836 6.910 1.00 14.32 C ATOM 1620 CE1 TYR A 111 -5.150 10.878 9.397 1.00 30.33 C ATOM 1621 CE2 TYR A 111 -4.487 11.206 7.121 1.00 0.25 C ATOM 1622 CZ TYR A 111 -4.789 11.722 8.367 1.00 74.33 C ATOM 1623 OH TYR A 111 -4.730 13.092 8.583 1.00 45.23 O ATOM 0 H TYR A 111 -2.402 7.200 7.068 1.00 70.14 H new ATOM 0 HA TYR A 111 -4.068 6.698 9.463 1.00 74.23 H new ATOM 0 HB2 TYR A 111 -4.931 7.268 6.616 1.00 34.12 H new ATOM 0 HB3 TYR A 111 -5.963 7.089 8.021 1.00 34.12 H new ATOM 0 HD1 TYR A 111 -5.502 8.854 9.989 1.00 74.20 H new ATOM 0 HD2 TYR A 111 -4.315 9.439 5.934 1.00 14.32 H new ATOM 0 HE1 TYR A 111 -5.382 11.282 10.372 1.00 30.33 H new ATOM 0 HE2 TYR A 111 -4.202 11.866 6.315 1.00 0.25 H new ATOM 0 HH TYR A 111 -4.459 13.542 7.756 1.00 45.23 H new ATOM 1633 N VAL A 112 -4.291 4.302 8.850 1.00 60.23 N ATOM 1634 CA VAL A 112 -4.338 2.870 8.591 1.00 25.22 C ATOM 1635 C VAL A 112 -5.652 2.358 9.146 1.00 24.25 C ATOM 1636 O VAL A 112 -6.055 2.761 10.259 1.00 72.11 O ATOM 1637 CB VAL A 112 -3.155 2.112 9.280 1.00 74.42 C ATOM 1638 CG1 VAL A 112 -3.133 0.646 8.884 1.00 34.43 C ATOM 1639 CG2 VAL A 112 -1.820 2.759 8.965 1.00 60.41 C ATOM 0 H VAL A 112 -4.550 4.555 9.803 1.00 60.23 H new ATOM 0 HA VAL A 112 -4.252 2.694 7.519 1.00 25.22 H new ATOM 0 HB VAL A 112 -3.319 2.176 10.356 1.00 74.42 H new ATOM 0 HG11 VAL A 112 -2.300 0.148 9.379 1.00 34.43 H new ATOM 0 HG12 VAL A 112 -4.068 0.174 9.184 1.00 34.43 H new ATOM 0 HG13 VAL A 112 -3.015 0.563 7.804 1.00 34.43 H new ATOM 0 HG21 VAL A 112 -1.022 2.206 9.460 1.00 60.41 H new ATOM 0 HG22 VAL A 112 -1.655 2.747 7.888 1.00 60.41 H new ATOM 0 HG23 VAL A 112 -1.822 3.789 9.321 1.00 60.41 H new ATOM 1649 N ASN A 113 -6.309 1.506 8.391 1.00 41.51 N ATOM 1650 CA ASN A 113 -7.652 0.990 8.666 1.00 65.31 C ATOM 1651 C ASN A 113 -8.591 2.179 8.860 1.00 21.14 C ATOM 1652 O ASN A 113 -9.477 2.190 9.726 1.00 21.43 O ATOM 1653 CB ASN A 113 -7.637 0.053 9.888 1.00 53.54 C ATOM 1654 CG ASN A 113 -8.786 -0.958 9.899 1.00 21.33 C ATOM 1655 OD1 ASN A 113 -9.901 -0.706 9.411 1.00 44.15 O ATOM 1656 ND2 ASN A 113 -8.510 -2.126 10.409 1.00 75.21 N ATOM 0 H ASN A 113 -5.914 1.131 7.529 1.00 41.51 H new ATOM 0 HA ASN A 113 -8.009 0.392 7.827 1.00 65.31 H new ATOM 0 HB2 ASN A 113 -6.690 -0.486 9.911 1.00 53.54 H new ATOM 0 HB3 ASN A 113 -7.684 0.654 10.796 1.00 53.54 H new ATOM 0 HD21 ASN A 113 -9.218 -2.860 10.414 1.00 75.21 H new ATOM 0 HD22 ASN A 113 -7.586 -2.305 10.803 1.00 75.21 H new ATOM 1663 N ARG A 114 -8.352 3.198 8.017 1.00 24.30 N ATOM 1664 CA ARG A 114 -9.122 4.444 7.972 1.00 23.12 C ATOM 1665 C ARG A 114 -9.049 5.307 9.242 1.00 2.12 C ATOM 1666 O ARG A 114 -9.889 6.175 9.438 1.00 51.21 O ATOM 1667 CB ARG A 114 -10.568 4.187 7.556 1.00 5.15 C ATOM 1668 CG ARG A 114 -10.741 3.987 6.068 1.00 24.51 C ATOM 1669 CD ARG A 114 -12.178 3.682 5.716 1.00 24.30 C ATOM 1670 NE ARG A 114 -12.523 2.259 5.866 1.00 61.34 N ATOM 1671 CZ ARG A 114 -13.340 1.735 6.795 1.00 71.50 C ATOM 1672 NH1 ARG A 114 -13.662 2.433 7.879 1.00 22.31 N ATOM 1673 NH2 ARG A 114 -13.787 0.488 6.656 1.00 15.43 N ATOM 0 H ARG A 114 -7.597 3.173 7.332 1.00 24.30 H new ATOM 0 HA ARG A 114 -8.631 5.044 7.206 1.00 23.12 H new ATOM 0 HB2 ARG A 114 -10.937 3.304 8.078 1.00 5.15 H new ATOM 0 HB3 ARG A 114 -11.184 5.027 7.876 1.00 5.15 H new ATOM 0 HG2 ARG A 114 -10.418 4.883 5.539 1.00 24.51 H new ATOM 0 HG3 ARG A 114 -10.101 3.171 5.732 1.00 24.51 H new ATOM 0 HD2 ARG A 114 -12.835 4.277 6.351 1.00 24.30 H new ATOM 0 HD3 ARG A 114 -12.366 3.988 4.687 1.00 24.30 H new ATOM 0 HE ARG A 114 -12.102 1.609 5.202 1.00 61.34 H new ATOM 0 HH11 ARG A 114 -13.288 3.373 8.010 1.00 22.31 H new ATOM 0 HH12 ARG A 114 -14.283 2.029 8.580 1.00 22.31 H new ATOM 0 HH21 ARG A 114 -13.509 -0.066 5.846 1.00 15.43 H new ATOM 0 HH22 ARG A 114 -14.407 0.087 7.360 1.00 15.43 H new ATOM 1687 N GLU A 115 -8.038 5.112 10.063 1.00 73.13 N ATOM 1688 CA GLU A 115 -7.862 5.918 11.267 1.00 22.15 C ATOM 1689 C GLU A 115 -6.402 6.317 11.395 1.00 0.20 C ATOM 1690 O GLU A 115 -5.538 5.614 10.877 1.00 33.41 O ATOM 1691 CB GLU A 115 -8.246 5.121 12.509 1.00 53.13 C ATOM 1692 CG GLU A 115 -9.692 4.702 12.592 1.00 24.11 C ATOM 1693 CD GLU A 115 -9.934 3.821 13.781 1.00 5.31 C ATOM 1694 OE1 GLU A 115 -10.202 4.341 14.887 1.00 73.23 O ATOM 1695 OE2 GLU A 115 -9.848 2.586 13.633 1.00 73.42 O ATOM 0 H GLU A 115 -7.320 4.401 9.923 1.00 73.13 H new ATOM 0 HA GLU A 115 -8.500 6.798 11.187 1.00 22.15 H new ATOM 0 HB2 GLU A 115 -7.624 4.227 12.552 1.00 53.13 H new ATOM 0 HB3 GLU A 115 -8.008 5.717 13.390 1.00 53.13 H new ATOM 0 HG2 GLU A 115 -10.326 5.586 12.656 1.00 24.11 H new ATOM 0 HG3 GLU A 115 -9.973 4.173 11.681 1.00 24.11 H new ATOM 1702 N PRO A 116 -6.099 7.449 12.064 1.00 41.13 N ATOM 1703 CA PRO A 116 -4.711 7.850 12.340 1.00 43.14 C ATOM 1704 C PRO A 116 -4.042 6.769 13.177 1.00 63.03 C ATOM 1705 O PRO A 116 -4.534 6.411 14.257 1.00 11.12 O ATOM 1706 CB PRO A 116 -4.852 9.140 13.158 1.00 50.33 C ATOM 1707 CG PRO A 116 -6.237 9.628 12.887 1.00 32.45 C ATOM 1708 CD PRO A 116 -7.070 8.416 12.592 1.00 40.12 C ATOM 0 HA PRO A 116 -4.112 7.993 11.440 1.00 43.14 H new ATOM 0 HB2 PRO A 116 -4.703 8.950 14.221 1.00 50.33 H new ATOM 0 HB3 PRO A 116 -4.109 9.879 12.859 1.00 50.33 H new ATOM 0 HG2 PRO A 116 -6.632 10.169 13.747 1.00 32.45 H new ATOM 0 HG3 PRO A 116 -6.246 10.319 12.044 1.00 32.45 H new ATOM 0 HD2 PRO A 116 -7.563 8.040 13.489 1.00 40.12 H new ATOM 0 HD3 PRO A 116 -7.853 8.635 11.866 1.00 40.12 H new ATOM 1716 N ARG A 117 -2.950 6.249 12.701 1.00 12.51 N ATOM 1717 CA ARG A 117 -2.372 5.096 13.319 1.00 12.12 C ATOM 1718 C ARG A 117 -0.865 5.275 13.441 1.00 51.14 C ATOM 1719 O ARG A 117 -0.237 5.795 12.533 1.00 31.35 O ATOM 1720 CB ARG A 117 -2.673 3.906 12.426 1.00 64.14 C ATOM 1721 CG ARG A 117 -2.634 2.565 13.105 1.00 70.40 C ATOM 1722 CD ARG A 117 -3.877 2.331 13.959 1.00 65.25 C ATOM 1723 NE ARG A 117 -5.097 2.285 13.125 1.00 45.04 N ATOM 1724 CZ ARG A 117 -6.345 2.080 13.574 1.00 24.14 C ATOM 1725 NH1 ARG A 117 -6.582 1.912 14.859 1.00 14.43 N ATOM 1726 NH2 ARG A 117 -7.347 2.047 12.715 1.00 3.32 N ATOM 0 H ARG A 117 -2.444 6.604 11.890 1.00 12.51 H new ATOM 0 HA ARG A 117 -2.783 4.948 14.317 1.00 12.12 H new ATOM 0 HB2 ARG A 117 -3.661 4.043 11.987 1.00 64.14 H new ATOM 0 HB3 ARG A 117 -1.957 3.899 11.604 1.00 64.14 H new ATOM 0 HG2 ARG A 117 -2.554 1.779 12.354 1.00 70.40 H new ATOM 0 HG3 ARG A 117 -1.744 2.499 13.731 1.00 70.40 H new ATOM 0 HD2 ARG A 117 -3.773 1.395 14.508 1.00 65.25 H new ATOM 0 HD3 ARG A 117 -3.969 3.126 14.699 1.00 65.25 H new ATOM 0 HE ARG A 117 -4.980 2.421 12.121 1.00 45.04 H new ATOM 0 HH11 ARG A 117 -5.812 1.937 15.527 1.00 14.43 H new ATOM 0 HH12 ARG A 117 -7.536 1.757 15.186 1.00 14.43 H new ATOM 0 HH21 ARG A 117 -7.169 2.177 11.719 1.00 3.32 H new ATOM 0 HH22 ARG A 117 -8.299 1.892 13.047 1.00 3.32 H new ATOM 1740 N ASN A 118 -0.304 4.853 14.555 1.00 22.10 N ATOM 1741 CA ASN A 118 1.136 4.961 14.787 1.00 62.04 C ATOM 1742 C ASN A 118 1.825 3.636 14.492 1.00 1.14 C ATOM 1743 O ASN A 118 2.945 3.593 13.974 1.00 72.25 O ATOM 1744 CB ASN A 118 1.438 5.380 16.233 1.00 2.22 C ATOM 1745 CG ASN A 118 0.854 6.733 16.607 1.00 12.12 C ATOM 1746 OD1 ASN A 118 -0.269 6.823 17.116 1.00 71.04 O ATOM 1747 ND2 ASN A 118 1.580 7.781 16.351 1.00 75.12 N ATOM 0 H ASN A 118 -0.821 4.428 15.324 1.00 22.10 H new ATOM 0 HA ASN A 118 1.519 5.728 14.114 1.00 62.04 H new ATOM 0 HB2 ASN A 118 1.045 4.623 16.912 1.00 2.22 H new ATOM 0 HB3 ASN A 118 2.518 5.407 16.377 1.00 2.22 H new ATOM 0 HD21 ASN A 118 1.227 8.712 16.571 1.00 75.12 H new ATOM 0 HD22 ASN A 118 2.503 7.672 15.930 1.00 75.12 H new ATOM 1754 N ALA A 119 1.159 2.568 14.841 1.00 63.02 N ATOM 1755 CA ALA A 119 1.626 1.223 14.622 1.00 21.45 C ATOM 1756 C ALA A 119 0.412 0.349 14.466 1.00 20.13 C ATOM 1757 O ALA A 119 -0.582 0.540 15.184 1.00 22.01 O ATOM 1758 CB ALA A 119 2.472 0.751 15.795 1.00 70.04 C ATOM 0 H ALA A 119 0.249 2.610 15.300 1.00 63.02 H new ATOM 0 HA ALA A 119 2.252 1.177 13.731 1.00 21.45 H new ATOM 0 HB1 ALA A 119 2.815 -0.267 15.610 1.00 70.04 H new ATOM 0 HB2 ALA A 119 3.333 1.409 15.910 1.00 70.04 H new ATOM 0 HB3 ALA A 119 1.875 0.773 16.706 1.00 70.04 H new ATOM 1764 N GLN A 120 0.442 -0.542 13.515 1.00 31.40 N ATOM 1765 CA GLN A 120 -0.713 -1.394 13.256 1.00 22.41 C ATOM 1766 C GLN A 120 -0.319 -2.719 12.648 1.00 33.25 C ATOM 1767 O GLN A 120 0.534 -2.776 11.763 1.00 62.04 O ATOM 1768 CB GLN A 120 -1.665 -0.658 12.303 1.00 24.12 C ATOM 1769 CG GLN A 120 -2.897 -1.432 11.831 1.00 65.52 C ATOM 1770 CD GLN A 120 -3.896 -1.739 12.927 1.00 21.12 C ATOM 1771 OE1 GLN A 120 -4.039 -0.993 13.894 1.00 72.52 O ATOM 1772 NE2 GLN A 120 -4.577 -2.836 12.788 1.00 51.23 N ATOM 0 H GLN A 120 1.242 -0.706 12.903 1.00 31.40 H new ATOM 0 HA GLN A 120 -1.200 -1.604 14.208 1.00 22.41 H new ATOM 0 HB2 GLN A 120 -2.004 0.253 12.797 1.00 24.12 H new ATOM 0 HB3 GLN A 120 -1.098 -0.352 11.424 1.00 24.12 H new ATOM 0 HG2 GLN A 120 -3.396 -0.857 11.051 1.00 65.52 H new ATOM 0 HG3 GLN A 120 -2.572 -2.369 11.378 1.00 65.52 H new ATOM 0 HE21 GLN A 120 -4.429 -3.428 11.971 1.00 51.23 H new ATOM 0 HE22 GLN A 120 -5.260 -3.105 13.496 1.00 51.23 H new ATOM 1781 N VAL A 121 -0.914 -3.775 13.142 1.00 72.23 N ATOM 1782 CA VAL A 121 -0.820 -5.059 12.506 1.00 10.15 C ATOM 1783 C VAL A 121 -1.855 -5.014 11.392 1.00 14.43 C ATOM 1784 O VAL A 121 -3.056 -4.884 11.658 1.00 11.01 O ATOM 1785 CB VAL A 121 -1.140 -6.222 13.487 1.00 63.13 C ATOM 1786 CG1 VAL A 121 -1.013 -7.575 12.791 1.00 65.14 C ATOM 1787 CG2 VAL A 121 -0.225 -6.165 14.707 1.00 23.11 C ATOM 0 H VAL A 121 -1.475 -3.767 13.994 1.00 72.23 H new ATOM 0 HA VAL A 121 0.191 -5.246 12.143 1.00 10.15 H new ATOM 0 HB VAL A 121 -2.171 -6.105 13.820 1.00 63.13 H new ATOM 0 HG11 VAL A 121 -1.242 -8.371 13.499 1.00 65.14 H new ATOM 0 HG12 VAL A 121 -1.711 -7.621 11.955 1.00 65.14 H new ATOM 0 HG13 VAL A 121 0.005 -7.700 12.421 1.00 65.14 H new ATOM 0 HG21 VAL A 121 -0.465 -6.987 15.381 1.00 23.11 H new ATOM 0 HG22 VAL A 121 0.814 -6.250 14.387 1.00 23.11 H new ATOM 0 HG23 VAL A 121 -0.369 -5.217 15.226 1.00 23.11 H new ATOM 1797 N MET A 122 -1.418 -5.133 10.180 1.00 41.53 N ATOM 1798 CA MET A 122 -2.278 -4.856 9.055 1.00 75.40 C ATOM 1799 C MET A 122 -3.054 -6.082 8.638 1.00 13.42 C ATOM 1800 O MET A 122 -2.500 -7.181 8.480 1.00 44.04 O ATOM 1801 CB MET A 122 -1.440 -4.273 7.905 1.00 30.31 C ATOM 1802 CG MET A 122 -2.201 -3.964 6.624 1.00 72.53 C ATOM 1803 SD MET A 122 -1.186 -3.069 5.413 1.00 51.23 S ATOM 1804 CE MET A 122 0.229 -4.148 5.239 1.00 43.23 C ATOM 0 H MET A 122 -0.471 -5.420 9.934 1.00 41.53 H new ATOM 0 HA MET A 122 -3.022 -4.114 9.345 1.00 75.40 H new ATOM 0 HB2 MET A 122 -0.966 -3.356 8.254 1.00 30.31 H new ATOM 0 HB3 MET A 122 -0.640 -4.976 7.670 1.00 30.31 H new ATOM 0 HG2 MET A 122 -2.554 -4.895 6.181 1.00 72.53 H new ATOM 0 HG3 MET A 122 -3.084 -3.371 6.863 1.00 72.53 H new ATOM 0 HE1 MET A 122 0.773 -3.890 4.330 1.00 43.23 H new ATOM 0 HE2 MET A 122 0.885 -4.029 6.101 1.00 43.23 H new ATOM 0 HE3 MET A 122 -0.108 -5.183 5.179 1.00 43.23 H new ATOM 1814 N GLN A 123 -4.340 -5.876 8.489 1.00 14.33 N ATOM 1815 CA GLN A 123 -5.298 -6.911 8.184 1.00 74.14 C ATOM 1816 C GLN A 123 -5.582 -6.902 6.699 1.00 33.34 C ATOM 1817 O GLN A 123 -5.367 -5.893 6.037 1.00 14.12 O ATOM 1818 CB GLN A 123 -6.610 -6.629 8.934 1.00 63.12 C ATOM 1819 CG GLN A 123 -6.451 -6.440 10.432 1.00 2.00 C ATOM 1820 CD GLN A 123 -7.762 -6.104 11.126 1.00 15.55 C ATOM 1821 OE1 GLN A 123 -8.135 -4.935 11.263 1.00 45.31 O ATOM 1822 NE2 GLN A 123 -8.459 -7.105 11.573 1.00 52.54 N ATOM 0 H GLN A 123 -4.763 -4.952 8.580 1.00 14.33 H new ATOM 0 HA GLN A 123 -4.896 -7.878 8.486 1.00 74.14 H new ATOM 0 HB2 GLN A 123 -7.068 -5.734 8.514 1.00 63.12 H new ATOM 0 HB3 GLN A 123 -7.300 -7.454 8.756 1.00 63.12 H new ATOM 0 HG2 GLN A 123 -6.038 -7.350 10.867 1.00 2.00 H new ATOM 0 HG3 GLN A 123 -5.732 -5.643 10.619 1.00 2.00 H new ATOM 0 HE21 GLN A 123 -8.122 -8.059 11.443 1.00 52.54 H new ATOM 0 HE22 GLN A 123 -9.343 -6.937 12.054 1.00 52.54 H new ATOM 1831 N THR A 124 -6.026 -8.005 6.162 1.00 64.33 N ATOM 1832 CA THR A 124 -6.424 -8.012 4.788 1.00 22.01 C ATOM 1833 C THR A 124 -7.723 -7.208 4.669 1.00 32.34 C ATOM 1834 O THR A 124 -8.648 -7.376 5.473 1.00 63.34 O ATOM 1835 CB THR A 124 -6.573 -9.457 4.201 1.00 51.23 C ATOM 1836 OG1 THR A 124 -6.936 -9.397 2.811 1.00 61.14 O ATOM 1837 CG2 THR A 124 -7.600 -10.296 4.960 1.00 34.14 C ATOM 0 H THR A 124 -6.119 -8.896 6.649 1.00 64.33 H new ATOM 0 HA THR A 124 -5.640 -7.549 4.189 1.00 22.01 H new ATOM 0 HB THR A 124 -5.603 -9.942 4.312 1.00 51.23 H new ATOM 0 HG1 THR A 124 -7.329 -10.252 2.538 1.00 61.14 H new ATOM 0 HG21 THR A 124 -7.663 -11.287 4.511 1.00 34.14 H new ATOM 0 HG22 THR A 124 -7.296 -10.388 6.003 1.00 34.14 H new ATOM 0 HG23 THR A 124 -8.575 -9.812 4.908 1.00 34.14 H new ATOM 1845 N GLY A 125 -7.763 -6.298 3.732 1.00 72.21 N ATOM 1846 CA GLY A 125 -8.911 -5.457 3.583 1.00 0.11 C ATOM 1847 C GLY A 125 -8.691 -4.116 4.234 1.00 72.32 C ATOM 1848 O GLY A 125 -9.581 -3.265 4.238 1.00 11.41 O ATOM 0 H GLY A 125 -7.013 -6.124 3.063 1.00 72.21 H new ATOM 0 HA2 GLY A 125 -9.129 -5.319 2.524 1.00 0.11 H new ATOM 0 HA3 GLY A 125 -9.781 -5.942 4.027 1.00 0.11 H new ATOM 1852 N ASP A 126 -7.521 -3.937 4.808 1.00 43.21 N ATOM 1853 CA ASP A 126 -7.179 -2.704 5.499 1.00 15.42 C ATOM 1854 C ASP A 126 -6.982 -1.590 4.476 1.00 11.44 C ATOM 1855 O ASP A 126 -6.452 -1.833 3.369 1.00 45.35 O ATOM 1856 CB ASP A 126 -5.892 -2.895 6.304 1.00 11.04 C ATOM 1857 CG ASP A 126 -5.672 -1.839 7.361 1.00 31.13 C ATOM 1858 OD1 ASP A 126 -5.485 -0.658 7.014 1.00 54.22 O ATOM 1859 OD2 ASP A 126 -5.722 -2.193 8.565 1.00 11.42 O ATOM 0 H ASP A 126 -6.779 -4.637 4.811 1.00 43.21 H new ATOM 0 HA ASP A 126 -7.987 -2.438 6.180 1.00 15.42 H new ATOM 0 HB2 ASP A 126 -5.915 -3.875 6.782 1.00 11.04 H new ATOM 0 HB3 ASP A 126 -5.043 -2.894 5.620 1.00 11.04 H new ATOM 1864 N GLU A 127 -7.437 -0.402 4.807 1.00 5.41 N ATOM 1865 CA GLU A 127 -7.283 0.725 3.937 1.00 33.43 C ATOM 1866 C GLU A 127 -6.336 1.716 4.561 1.00 63.54 C ATOM 1867 O GLU A 127 -6.575 2.223 5.671 1.00 43.25 O ATOM 1868 CB GLU A 127 -8.620 1.411 3.683 1.00 72.14 C ATOM 1869 CG GLU A 127 -9.637 0.580 2.933 1.00 12.35 C ATOM 1870 CD GLU A 127 -10.928 1.327 2.754 1.00 42.14 C ATOM 1871 OE1 GLU A 127 -11.029 2.157 1.827 1.00 21.44 O ATOM 1872 OE2 GLU A 127 -11.861 1.117 3.558 1.00 63.03 O ATOM 0 H GLU A 127 -7.920 -0.198 5.682 1.00 5.41 H new ATOM 0 HA GLU A 127 -6.887 0.368 2.986 1.00 33.43 H new ATOM 0 HB2 GLU A 127 -9.049 1.703 4.642 1.00 72.14 H new ATOM 0 HB3 GLU A 127 -8.439 2.328 3.122 1.00 72.14 H new ATOM 0 HG2 GLU A 127 -9.236 0.304 1.958 1.00 12.35 H new ATOM 0 HG3 GLU A 127 -9.823 -0.347 3.475 1.00 12.35 H new ATOM 1879 N ILE A 128 -5.340 2.056 3.826 1.00 32.53 N ATOM 1880 CA ILE A 128 -4.327 2.969 4.254 1.00 21.42 C ATOM 1881 C ILE A 128 -4.527 4.246 3.493 1.00 21.14 C ATOM 1882 O ILE A 128 -4.731 4.225 2.279 1.00 34.14 O ATOM 1883 CB ILE A 128 -2.909 2.394 3.960 1.00 72.22 C ATOM 1884 CG1 ILE A 128 -2.747 1.024 4.643 1.00 2.34 C ATOM 1885 CG2 ILE A 128 -1.816 3.363 4.428 1.00 44.32 C ATOM 1886 CD1 ILE A 128 -1.443 0.323 4.335 1.00 22.45 C ATOM 0 H ILE A 128 -5.197 1.700 2.881 1.00 32.53 H new ATOM 0 HA ILE A 128 -4.400 3.138 5.328 1.00 21.42 H new ATOM 0 HB ILE A 128 -2.803 2.267 2.883 1.00 72.22 H new ATOM 0 HG12 ILE A 128 -2.828 1.158 5.722 1.00 2.34 H new ATOM 0 HG13 ILE A 128 -3.572 0.380 4.339 1.00 2.34 H new ATOM 0 HG21 ILE A 128 -0.836 2.938 4.211 1.00 44.32 H new ATOM 0 HG22 ILE A 128 -1.923 4.313 3.904 1.00 44.32 H new ATOM 0 HG23 ILE A 128 -1.911 3.528 5.501 1.00 44.32 H new ATOM 0 HD11 ILE A 128 -1.412 -0.634 4.856 1.00 22.45 H new ATOM 0 HD12 ILE A 128 -1.366 0.154 3.261 1.00 22.45 H new ATOM 0 HD13 ILE A 128 -0.610 0.943 4.665 1.00 22.45 H new ATOM 1898 N GLN A 129 -4.526 5.333 4.174 1.00 4.04 N ATOM 1899 CA GLN A 129 -4.692 6.578 3.528 1.00 74.05 C ATOM 1900 C GLN A 129 -3.486 7.442 3.777 1.00 31.13 C ATOM 1901 O GLN A 129 -3.082 7.673 4.930 1.00 4.53 O ATOM 1902 CB GLN A 129 -6.007 7.274 3.920 1.00 12.43 C ATOM 1903 CG GLN A 129 -6.236 8.583 3.178 1.00 75.02 C ATOM 1904 CD GLN A 129 -7.591 9.203 3.436 1.00 51.44 C ATOM 1905 OE1 GLN A 129 -8.576 8.509 3.688 1.00 41.42 O ATOM 1906 NE2 GLN A 129 -7.661 10.501 3.357 1.00 14.25 N ATOM 0 H GLN A 129 -4.411 5.383 5.186 1.00 4.04 H new ATOM 0 HA GLN A 129 -4.771 6.401 2.455 1.00 74.05 H new ATOM 0 HB2 GLN A 129 -6.841 6.600 3.721 1.00 12.43 H new ATOM 0 HB3 GLN A 129 -6.003 7.468 4.993 1.00 12.43 H new ATOM 0 HG2 GLN A 129 -5.461 9.293 3.466 1.00 75.02 H new ATOM 0 HG3 GLN A 129 -6.125 8.407 2.108 1.00 75.02 H new ATOM 0 HE21 GLN A 129 -6.824 11.045 3.146 1.00 14.25 H new ATOM 0 HE22 GLN A 129 -8.553 10.974 3.506 1.00 14.25 H new ATOM 1915 N ILE A 130 -2.888 7.857 2.704 1.00 12.55 N ATOM 1916 CA ILE A 130 -1.742 8.707 2.738 1.00 63.23 C ATOM 1917 C ILE A 130 -2.172 10.023 2.133 1.00 45.14 C ATOM 1918 O ILE A 130 -2.286 10.142 0.921 1.00 74.51 O ATOM 1919 CB ILE A 130 -0.580 8.082 1.901 1.00 21.01 C ATOM 1920 CG1 ILE A 130 -0.212 6.688 2.455 1.00 71.33 C ATOM 1921 CG2 ILE A 130 0.636 8.999 1.869 1.00 53.03 C ATOM 1922 CD1 ILE A 130 0.873 5.965 1.686 1.00 60.44 C ATOM 0 H ILE A 130 -3.190 7.609 1.762 1.00 12.55 H new ATOM 0 HA ILE A 130 -1.377 8.839 3.757 1.00 63.23 H new ATOM 0 HB ILE A 130 -0.925 7.965 0.874 1.00 21.01 H new ATOM 0 HG12 ILE A 130 0.108 6.797 3.491 1.00 71.33 H new ATOM 0 HG13 ILE A 130 -1.108 6.067 2.462 1.00 71.33 H new ATOM 0 HG21 ILE A 130 1.426 8.535 1.279 1.00 53.03 H new ATOM 0 HG22 ILE A 130 0.360 9.953 1.420 1.00 53.03 H new ATOM 0 HG23 ILE A 130 0.993 9.166 2.885 1.00 53.03 H new ATOM 0 HD11 ILE A 130 1.063 4.996 2.149 1.00 60.44 H new ATOM 0 HD12 ILE A 130 0.552 5.818 0.655 1.00 60.44 H new ATOM 0 HD13 ILE A 130 1.787 6.559 1.700 1.00 60.44 H new ATOM 1934 N GLY A 131 -2.420 11.006 2.968 1.00 15.02 N ATOM 1935 CA GLY A 131 -2.964 12.255 2.476 1.00 2.30 C ATOM 1936 C GLY A 131 -4.339 12.017 1.862 1.00 41.51 C ATOM 1937 O GLY A 131 -5.272 11.654 2.568 1.00 5.33 O ATOM 0 H GLY A 131 -2.258 10.970 3.974 1.00 15.02 H new ATOM 0 HA2 GLY A 131 -3.040 12.975 3.291 1.00 2.30 H new ATOM 0 HA3 GLY A 131 -2.294 12.686 1.732 1.00 2.30 H new ATOM 1941 N LYS A 132 -4.455 12.167 0.561 1.00 74.51 N ATOM 1942 CA LYS A 132 -5.720 11.895 -0.114 1.00 62.14 C ATOM 1943 C LYS A 132 -5.658 10.550 -0.844 1.00 32.14 C ATOM 1944 O LYS A 132 -6.651 10.095 -1.418 1.00 41.43 O ATOM 1945 CB LYS A 132 -6.082 13.007 -1.110 1.00 64.11 C ATOM 1946 CG LYS A 132 -5.124 13.124 -2.280 1.00 4.03 C ATOM 1947 CD LYS A 132 -5.558 14.192 -3.255 1.00 31.34 C ATOM 1948 CE LYS A 132 -4.588 14.276 -4.408 1.00 74.13 C ATOM 1949 NZ LYS A 132 -4.932 15.339 -5.359 1.00 23.41 N ATOM 0 H LYS A 132 -3.700 12.473 -0.053 1.00 74.51 H new ATOM 0 HA LYS A 132 -6.496 11.858 0.651 1.00 62.14 H new ATOM 0 HB2 LYS A 132 -7.086 12.825 -1.493 1.00 64.11 H new ATOM 0 HB3 LYS A 132 -6.111 13.959 -0.581 1.00 64.11 H new ATOM 0 HG2 LYS A 132 -4.125 13.354 -1.910 1.00 4.03 H new ATOM 0 HG3 LYS A 132 -5.061 12.166 -2.795 1.00 4.03 H new ATOM 0 HD2 LYS A 132 -6.558 13.969 -3.628 1.00 31.34 H new ATOM 0 HD3 LYS A 132 -5.615 15.155 -2.748 1.00 31.34 H new ATOM 0 HE2 LYS A 132 -3.584 14.451 -4.021 1.00 74.13 H new ATOM 0 HE3 LYS A 132 -4.566 13.319 -4.930 1.00 74.13 H new ATOM 0 HZ1 LYS A 132 -4.061 15.782 -5.715 1.00 23.41 H new ATOM 0 HZ2 LYS A 132 -5.464 14.934 -6.155 1.00 23.41 H new ATOM 0 HZ3 LYS A 132 -5.515 16.056 -4.882 1.00 23.41 H new ATOM 1963 N PHE A 133 -4.487 9.928 -0.828 1.00 63.05 N ATOM 1964 CA PHE A 133 -4.283 8.647 -1.485 1.00 55.45 C ATOM 1965 C PHE A 133 -4.963 7.561 -0.688 1.00 65.25 C ATOM 1966 O PHE A 133 -4.764 7.457 0.524 1.00 21.00 O ATOM 1967 CB PHE A 133 -2.792 8.272 -1.576 1.00 61.44 C ATOM 1968 CG PHE A 133 -1.909 9.122 -2.447 1.00 3.32 C ATOM 1969 CD1 PHE A 133 -1.386 10.318 -1.987 1.00 54.04 C ATOM 1970 CD2 PHE A 133 -1.553 8.686 -3.710 1.00 11.13 C ATOM 1971 CE1 PHE A 133 -0.534 11.063 -2.768 1.00 24.30 C ATOM 1972 CE2 PHE A 133 -0.706 9.429 -4.499 1.00 73.24 C ATOM 1973 CZ PHE A 133 -0.193 10.619 -4.026 1.00 30.41 C ATOM 0 H PHE A 133 -3.657 10.295 -0.362 1.00 63.05 H new ATOM 0 HA PHE A 133 -4.695 8.737 -2.490 1.00 55.45 H new ATOM 0 HB2 PHE A 133 -2.381 8.286 -0.567 1.00 61.44 H new ATOM 0 HB3 PHE A 133 -2.726 7.244 -1.933 1.00 61.44 H new ATOM 0 HD1 PHE A 133 -1.651 10.671 -1.001 1.00 54.04 H new ATOM 0 HD2 PHE A 133 -1.945 7.751 -4.082 1.00 11.13 H new ATOM 0 HE1 PHE A 133 -0.133 11.994 -2.396 1.00 24.30 H new ATOM 0 HE2 PHE A 133 -0.443 9.081 -5.487 1.00 73.24 H new ATOM 0 HZ PHE A 133 0.476 11.202 -4.642 1.00 30.41 H new ATOM 1983 N ARG A 134 -5.730 6.754 -1.346 1.00 15.50 N ATOM 1984 CA ARG A 134 -6.364 5.639 -0.697 1.00 75.04 C ATOM 1985 C ARG A 134 -5.744 4.380 -1.244 1.00 64.20 C ATOM 1986 O ARG A 134 -5.785 4.132 -2.452 1.00 10.23 O ATOM 1987 CB ARG A 134 -7.886 5.660 -0.950 1.00 32.13 C ATOM 1988 CG ARG A 134 -8.677 4.475 -0.363 1.00 51.53 C ATOM 1989 CD ARG A 134 -8.598 4.388 1.170 1.00 43.41 C ATOM 1990 NE ARG A 134 -9.099 5.605 1.835 1.00 11.45 N ATOM 1991 CZ ARG A 134 -10.337 5.764 2.352 1.00 73.34 C ATOM 1992 NH1 ARG A 134 -11.223 4.770 2.342 1.00 52.01 N ATOM 1993 NH2 ARG A 134 -10.661 6.912 2.920 1.00 23.45 N ATOM 0 H ARG A 134 -5.938 6.842 -2.341 1.00 15.50 H new ATOM 0 HA ARG A 134 -6.217 5.690 0.382 1.00 75.04 H new ATOM 0 HB2 ARG A 134 -8.292 6.584 -0.538 1.00 32.13 H new ATOM 0 HB3 ARG A 134 -8.057 5.690 -2.026 1.00 32.13 H new ATOM 0 HG2 ARG A 134 -9.722 4.562 -0.661 1.00 51.53 H new ATOM 0 HG3 ARG A 134 -8.299 3.547 -0.792 1.00 51.53 H new ATOM 0 HD2 ARG A 134 -9.175 3.529 1.511 1.00 43.41 H new ATOM 0 HD3 ARG A 134 -7.564 4.216 1.467 1.00 43.41 H new ATOM 0 HE ARG A 134 -8.456 6.394 1.911 1.00 11.45 H new ATOM 0 HH11 ARG A 134 -10.972 3.867 1.939 1.00 52.01 H new ATOM 0 HH12 ARG A 134 -12.152 4.911 2.738 1.00 52.01 H new ATOM 0 HH21 ARG A 134 -9.979 7.669 2.965 1.00 23.45 H new ATOM 0 HH22 ARG A 134 -11.593 7.041 3.313 1.00 23.45 H new ATOM 2007 N LEU A 135 -5.148 3.620 -0.378 1.00 62.21 N ATOM 2008 CA LEU A 135 -4.494 2.398 -0.740 1.00 5.11 C ATOM 2009 C LEU A 135 -5.209 1.273 -0.036 1.00 32.12 C ATOM 2010 O LEU A 135 -5.533 1.391 1.143 1.00 42.01 O ATOM 2011 CB LEU A 135 -2.988 2.399 -0.329 1.00 24.32 C ATOM 2012 CG LEU A 135 -2.068 3.520 -0.894 1.00 52.21 C ATOM 2013 CD1 LEU A 135 -2.336 4.871 -0.248 1.00 5.13 C ATOM 2014 CD2 LEU A 135 -0.605 3.153 -0.741 1.00 72.52 C ATOM 0 H LEU A 135 -5.101 3.834 0.618 1.00 62.21 H new ATOM 0 HA LEU A 135 -4.531 2.280 -1.823 1.00 5.11 H new ATOM 0 HB2 LEU A 135 -2.941 2.447 0.759 1.00 24.32 H new ATOM 0 HB3 LEU A 135 -2.563 1.440 -0.624 1.00 24.32 H new ATOM 0 HG LEU A 135 -2.304 3.609 -1.954 1.00 52.21 H new ATOM 0 HD11 LEU A 135 -1.668 5.618 -0.677 1.00 5.13 H new ATOM 0 HD12 LEU A 135 -3.371 5.162 -0.429 1.00 5.13 H new ATOM 0 HD13 LEU A 135 -2.161 4.802 0.826 1.00 5.13 H new ATOM 0 HD21 LEU A 135 0.015 3.954 -1.144 1.00 72.52 H new ATOM 0 HD22 LEU A 135 -0.374 3.011 0.315 1.00 72.52 H new ATOM 0 HD23 LEU A 135 -0.403 2.230 -1.284 1.00 72.52 H new ATOM 2026 N VAL A 136 -5.489 0.225 -0.737 1.00 73.53 N ATOM 2027 CA VAL A 136 -6.181 -0.895 -0.147 1.00 71.01 C ATOM 2028 C VAL A 136 -5.265 -2.110 -0.183 1.00 33.14 C ATOM 2029 O VAL A 136 -4.638 -2.390 -1.212 1.00 54.22 O ATOM 2030 CB VAL A 136 -7.521 -1.215 -0.887 1.00 32.23 C ATOM 2031 CG1 VAL A 136 -8.322 -2.272 -0.133 1.00 52.45 C ATOM 2032 CG2 VAL A 136 -8.362 0.044 -1.085 1.00 14.32 C ATOM 0 H VAL A 136 -5.253 0.111 -1.723 1.00 73.53 H new ATOM 0 HA VAL A 136 -6.436 -0.638 0.881 1.00 71.01 H new ATOM 0 HB VAL A 136 -7.264 -1.610 -1.870 1.00 32.23 H new ATOM 0 HG11 VAL A 136 -9.249 -2.476 -0.668 1.00 52.45 H new ATOM 0 HG12 VAL A 136 -7.736 -3.188 -0.059 1.00 52.45 H new ATOM 0 HG13 VAL A 136 -8.554 -1.908 0.868 1.00 52.45 H new ATOM 0 HG21 VAL A 136 -9.286 -0.213 -1.602 1.00 14.32 H new ATOM 0 HG22 VAL A 136 -8.599 0.480 -0.114 1.00 14.32 H new ATOM 0 HG23 VAL A 136 -7.802 0.766 -1.680 1.00 14.32 H new ATOM 2042 N PHE A 137 -5.153 -2.776 0.932 1.00 31.35 N ATOM 2043 CA PHE A 137 -4.331 -3.961 1.064 1.00 43.00 C ATOM 2044 C PHE A 137 -5.217 -5.208 1.012 1.00 52.55 C ATOM 2045 O PHE A 137 -6.134 -5.347 1.810 1.00 4.40 O ATOM 2046 CB PHE A 137 -3.574 -3.879 2.397 1.00 73.35 C ATOM 2047 CG PHE A 137 -2.759 -5.086 2.753 1.00 22.53 C ATOM 2048 CD1 PHE A 137 -1.521 -5.302 2.178 1.00 71.34 C ATOM 2049 CD2 PHE A 137 -3.233 -5.999 3.681 1.00 62.33 C ATOM 2050 CE1 PHE A 137 -0.773 -6.405 2.524 1.00 22.04 C ATOM 2051 CE2 PHE A 137 -2.490 -7.099 4.030 1.00 25.04 C ATOM 2052 CZ PHE A 137 -1.262 -7.303 3.453 1.00 41.22 C ATOM 0 H PHE A 137 -5.635 -2.512 1.792 1.00 31.35 H new ATOM 0 HA PHE A 137 -3.613 -4.024 0.247 1.00 43.00 H new ATOM 0 HB2 PHE A 137 -2.913 -3.012 2.367 1.00 73.35 H new ATOM 0 HB3 PHE A 137 -4.296 -3.702 3.194 1.00 73.35 H new ATOM 0 HD1 PHE A 137 -1.137 -4.600 1.452 1.00 71.34 H new ATOM 0 HD2 PHE A 137 -4.200 -5.843 4.136 1.00 62.33 H new ATOM 0 HE1 PHE A 137 0.193 -6.568 2.070 1.00 22.04 H new ATOM 0 HE2 PHE A 137 -2.871 -7.802 4.756 1.00 25.04 H new ATOM 0 HZ PHE A 137 -0.676 -8.168 3.726 1.00 41.22 H new ATOM 2062 N LEU A 138 -4.953 -6.100 0.082 1.00 10.42 N ATOM 2063 CA LEU A 138 -5.764 -7.301 -0.071 1.00 61.42 C ATOM 2064 C LEU A 138 -4.878 -8.529 -0.100 1.00 54.23 C ATOM 2065 O LEU A 138 -3.816 -8.522 -0.723 1.00 44.21 O ATOM 2066 CB LEU A 138 -6.614 -7.298 -1.378 1.00 63.22 C ATOM 2067 CG LEU A 138 -7.580 -6.122 -1.636 1.00 73.31 C ATOM 2068 CD1 LEU A 138 -6.841 -4.897 -2.157 1.00 21.54 C ATOM 2069 CD2 LEU A 138 -8.677 -6.534 -2.603 1.00 44.41 C ATOM 0 H LEU A 138 -4.184 -6.021 -0.583 1.00 10.42 H new ATOM 0 HA LEU A 138 -6.441 -7.318 0.783 1.00 61.42 H new ATOM 0 HB2 LEU A 138 -5.924 -7.349 -2.220 1.00 63.22 H new ATOM 0 HB3 LEU A 138 -7.201 -8.216 -1.391 1.00 63.22 H new ATOM 0 HG LEU A 138 -8.037 -5.854 -0.683 1.00 73.31 H new ATOM 0 HD11 LEU A 138 -7.552 -4.089 -2.328 1.00 21.54 H new ATOM 0 HD12 LEU A 138 -6.100 -4.580 -1.423 1.00 21.54 H new ATOM 0 HD13 LEU A 138 -6.341 -5.145 -3.094 1.00 21.54 H new ATOM 0 HD21 LEU A 138 -9.348 -5.692 -2.772 1.00 44.41 H new ATOM 0 HD22 LEU A 138 -8.232 -6.839 -3.550 1.00 44.41 H new ATOM 0 HD23 LEU A 138 -9.240 -7.367 -2.181 1.00 44.41 H new ATOM 2081 N ALA A 139 -5.284 -9.560 0.586 1.00 41.22 N ATOM 2082 CA ALA A 139 -4.591 -10.818 0.528 1.00 50.54 C ATOM 2083 C ALA A 139 -5.105 -11.610 -0.658 1.00 10.33 C ATOM 2084 O ALA A 139 -6.324 -11.667 -0.900 1.00 74.23 O ATOM 2085 CB ALA A 139 -4.777 -11.598 1.813 1.00 25.45 C ATOM 0 H ALA A 139 -6.100 -9.554 1.198 1.00 41.22 H new ATOM 0 HA ALA A 139 -3.523 -10.635 0.408 1.00 50.54 H new ATOM 0 HB1 ALA A 139 -4.243 -12.546 1.744 1.00 25.45 H new ATOM 0 HB2 ALA A 139 -4.384 -11.020 2.649 1.00 25.45 H new ATOM 0 HB3 ALA A 139 -5.838 -11.790 1.972 1.00 25.45 H new ATOM 2091 N GLY A 140 -4.196 -12.196 -1.398 1.00 50.11 N ATOM 2092 CA GLY A 140 -4.575 -12.949 -2.563 1.00 74.15 C ATOM 2093 C GLY A 140 -4.123 -12.249 -3.825 1.00 1.14 C ATOM 2094 O GLY A 140 -4.868 -11.438 -4.381 1.00 33.24 O ATOM 0 H GLY A 140 -3.193 -12.165 -1.214 1.00 50.11 H new ATOM 0 HA2 GLY A 140 -4.135 -13.945 -2.517 1.00 74.15 H new ATOM 0 HA3 GLY A 140 -5.657 -13.079 -2.581 1.00 74.15 H new ATOM 2098 N PRO A 141 -2.884 -12.518 -4.283 1.00 34.22 N ATOM 2099 CA PRO A 141 -2.310 -11.879 -5.477 1.00 4.20 C ATOM 2100 C PRO A 141 -3.028 -12.280 -6.750 1.00 1.41 C ATOM 2101 O PRO A 141 -3.739 -13.283 -6.787 1.00 53.23 O ATOM 2102 CB PRO A 141 -0.869 -12.411 -5.518 1.00 64.54 C ATOM 2103 CG PRO A 141 -0.628 -12.982 -4.167 1.00 61.21 C ATOM 2104 CD PRO A 141 -1.950 -13.483 -3.698 1.00 2.04 C ATOM 0 HA PRO A 141 -2.387 -10.793 -5.420 1.00 4.20 H new ATOM 0 HB2 PRO A 141 -0.750 -13.168 -6.293 1.00 64.54 H new ATOM 0 HB3 PRO A 141 -0.160 -11.613 -5.741 1.00 64.54 H new ATOM 0 HG2 PRO A 141 0.104 -13.789 -4.208 1.00 61.21 H new ATOM 0 HG3 PRO A 141 -0.232 -12.227 -3.488 1.00 61.21 H new ATOM 0 HD2 PRO A 141 -2.145 -14.498 -4.045 1.00 2.04 H new ATOM 0 HD3 PRO A 141 -2.014 -13.501 -2.610 1.00 2.04 H new ATOM 2112 N ALA A 142 -2.837 -11.501 -7.782 1.00 15.20 N ATOM 2113 CA ALA A 142 -3.407 -11.783 -9.078 1.00 25.11 C ATOM 2114 C ALA A 142 -2.321 -12.406 -9.951 1.00 51.34 C ATOM 2115 O ALA A 142 -2.046 -11.945 -11.063 1.00 1.51 O ATOM 2116 CB ALA A 142 -3.940 -10.496 -9.697 1.00 72.31 C ATOM 0 H ALA A 142 -2.279 -10.648 -7.749 1.00 15.20 H new ATOM 0 HA ALA A 142 -4.241 -12.479 -8.989 1.00 25.11 H new ATOM 0 HB1 ALA A 142 -4.369 -10.713 -10.675 1.00 72.31 H new ATOM 0 HB2 ALA A 142 -4.708 -10.072 -9.050 1.00 72.31 H new ATOM 0 HB3 ALA A 142 -3.125 -9.781 -9.809 1.00 72.31 H new ATOM 2122 N GLU A 143 -1.726 -13.455 -9.433 1.00 31.32 N ATOM 2123 CA GLU A 143 -0.611 -14.130 -10.060 1.00 42.40 C ATOM 2124 C GLU A 143 -1.135 -15.048 -11.164 1.00 44.22 C ATOM 2125 O GLU A 143 -1.167 -14.624 -12.329 1.00 37.96 O ATOM 2126 CB GLU A 143 0.166 -14.940 -9.005 1.00 12.11 C ATOM 2127 CG GLU A 143 1.473 -15.563 -9.490 1.00 21.32 C ATOM 2128 CD GLU A 143 2.553 -14.540 -9.793 1.00 33.30 C ATOM 2129 OE1 GLU A 143 3.328 -14.199 -8.881 1.00 42.31 O ATOM 2130 OE2 GLU A 143 2.667 -14.085 -10.954 1.00 72.45 O ATOM 2131 OXT GLU A 143 -1.564 -16.192 -10.866 1.00 37.96 O ATOM 0 H GLU A 143 -2.008 -13.872 -8.546 1.00 31.32 H new ATOM 0 HA GLU A 143 0.066 -13.397 -10.500 1.00 42.40 H new ATOM 0 HB2 GLU A 143 0.386 -14.287 -8.160 1.00 12.11 H new ATOM 0 HB3 GLU A 143 -0.480 -15.735 -8.634 1.00 12.11 H new ATOM 0 HG2 GLU A 143 1.840 -16.254 -8.732 1.00 21.32 H new ATOM 0 HG3 GLU A 143 1.276 -16.149 -10.388 1.00 21.32 H new