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 106 SER OG : rot -41:sc= 0.327 USER MOD Set 1.2: A 118 ASN : amide:sc= -0.0619 X(o=0.27,f=-0.15) USER MOD Set 2.1: A 86 SER OG : rot 68:sc= 0.301 USER MOD Set 2.2: A 108 ASN : amide:sc= -0.923 K(o=-0.62,f=-1.2!) USER MOD Set 3.1: A 89 HIS : no HE2:sc= -0.651 K(o=0.18,f=-3.3) USER MOD Set 3.2: A 110 THR OG1 : rot -42:sc= 0.829 USER MOD Set 4.1: A 73 HIS : no HE2:sc= -1.37 K(o=-1.9,f=-8!) USER MOD Set 4.2: A 76 SER OG : rot -110:sc= -0.573 USER MOD Single : A 16 SER OG : rot 35:sc= 0.208 USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0416) USER MOD Single : A 26 MET CE :methyl 154:sc= -0.134 (180deg=-1.01) USER MOD Single : A 28 SER OG : rot 81:sc= 0.326 USER MOD Single : A 29 SER OG : rot 142:sc= 0.994 USER MOD Single : A 30 THR OG1 : rot 61:sc= 1.25 USER MOD Single : A 32 THR OG1 : rot -62:sc= 0.954 USER MOD Single : A 36 SER OG : rot -8:sc= 1.04 USER MOD Single : A 37 THR OG1 : rot -32:sc= 0.778 USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0.33 K(o=0.33,f=-12!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -140:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 81:sc= 1.16 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 41:sc= -1.6! USER MOD Single : A 113 ASN : amide:sc= -1! C(o=-1!,f=-11!) USER MOD Single : A 120 GLN : amide:sc= -1 K(o=-1,f=-5.7!) USER MOD Single : A 122 MET CE :methyl 166:sc= -0.612 (180deg=-1.63) USER MOD Single : A 123 GLN : amide:sc= -2.09! C(o=-2.1!,f=-4.1!) USER MOD Single : A 124 THR OG1 : rot -150:sc= 0.987 USER MOD Single : A 129 GLN : amide:sc= 1.44 K(o=1.4,f=-5.9!) USER MOD Single : A 132 LYS NZ :NH3+ -161:sc= -1.02 (180deg=-2!) USER MOD ----------------------------------------------------------------- ATOM 214 N SER A 16 6.428 18.128 5.197 1.00 72.22 N ATOM 215 CA SER A 16 5.381 19.067 5.482 1.00 40.53 C ATOM 216 C SER A 16 4.399 18.462 6.477 1.00 22.44 C ATOM 217 O SER A 16 3.662 17.542 6.140 1.00 44.35 O ATOM 218 CB SER A 16 4.655 19.410 4.186 1.00 23.31 C ATOM 219 OG SER A 16 5.580 19.825 3.185 1.00 12.13 O ATOM 0 HA SER A 16 5.809 19.971 5.915 1.00 40.53 H new ATOM 0 HB2 SER A 16 4.097 18.542 3.835 1.00 23.31 H new ATOM 0 HB3 SER A 16 3.929 20.203 4.369 1.00 23.31 H new ATOM 0 HG SER A 16 6.417 19.326 3.286 1.00 12.13 H new ATOM 225 N VAL A 17 4.417 18.952 7.688 1.00 21.12 N ATOM 226 CA VAL A 17 3.494 18.504 8.698 1.00 74.41 C ATOM 227 C VAL A 17 2.359 19.494 8.744 1.00 1.52 C ATOM 228 O VAL A 17 2.557 20.668 9.108 1.00 61.32 O ATOM 229 CB VAL A 17 4.167 18.437 10.102 1.00 43.22 C ATOM 230 CG1 VAL A 17 3.197 17.912 11.157 1.00 52.30 C ATOM 231 CG2 VAL A 17 5.427 17.582 10.065 1.00 4.22 C ATOM 0 H VAL A 17 5.069 19.671 8.002 1.00 21.12 H new ATOM 0 HA VAL A 17 3.147 17.501 8.449 1.00 74.41 H new ATOM 0 HB VAL A 17 4.450 19.453 10.378 1.00 43.22 H new ATOM 0 HG11 VAL A 17 3.696 17.877 12.125 1.00 52.30 H new ATOM 0 HG12 VAL A 17 2.333 18.574 11.218 1.00 52.30 H new ATOM 0 HG13 VAL A 17 2.868 16.910 10.882 1.00 52.30 H new ATOM 0 HG21 VAL A 17 5.876 17.553 11.058 1.00 4.22 H new ATOM 0 HG22 VAL A 17 5.171 16.570 9.753 1.00 4.22 H new ATOM 0 HG23 VAL A 17 6.137 18.011 9.358 1.00 4.22 H new ATOM 241 N PHE A 18 1.190 19.057 8.386 1.00 4.35 N ATOM 242 CA PHE A 18 0.072 19.949 8.351 1.00 34.42 C ATOM 243 C PHE A 18 -0.762 19.862 9.588 1.00 14.31 C ATOM 244 O PHE A 18 -0.999 18.768 10.130 1.00 32.30 O ATOM 245 CB PHE A 18 -0.824 19.718 7.129 1.00 23.22 C ATOM 246 CG PHE A 18 -0.184 19.989 5.801 1.00 60.10 C ATOM 247 CD1 PHE A 18 0.645 21.090 5.613 1.00 63.55 C ATOM 248 CD2 PHE A 18 -0.438 19.160 4.728 1.00 20.03 C ATOM 249 CE1 PHE A 18 1.206 21.349 4.382 1.00 12.34 C ATOM 250 CE2 PHE A 18 0.122 19.418 3.498 1.00 35.31 C ATOM 251 CZ PHE A 18 0.945 20.510 3.322 1.00 52.43 C ATOM 0 H PHE A 18 0.986 18.095 8.116 1.00 4.35 H new ATOM 0 HA PHE A 18 0.505 20.947 8.285 1.00 34.42 H new ATOM 0 HB2 PHE A 18 -1.169 18.684 7.143 1.00 23.22 H new ATOM 0 HB3 PHE A 18 -1.707 20.350 7.223 1.00 23.22 H new ATOM 0 HD1 PHE A 18 0.851 21.750 6.443 1.00 63.55 H new ATOM 0 HD2 PHE A 18 -1.081 18.302 4.854 1.00 20.03 H new ATOM 0 HE1 PHE A 18 1.848 22.207 4.249 1.00 12.34 H new ATOM 0 HE2 PHE A 18 -0.084 18.761 2.666 1.00 35.31 H new ATOM 0 HZ PHE A 18 1.384 20.707 2.355 1.00 52.43 H new ATOM 261 N ARG A 19 -1.184 21.008 10.057 1.00 70.23 N ATOM 262 CA ARG A 19 -2.167 21.066 11.095 1.00 21.01 C ATOM 263 C ARG A 19 -3.472 21.161 10.366 1.00 41.33 C ATOM 264 O ARG A 19 -3.927 22.242 9.972 1.00 0.31 O ATOM 265 CB ARG A 19 -1.931 22.258 12.026 1.00 63.22 C ATOM 266 CG ARG A 19 -0.546 22.251 12.650 1.00 34.34 C ATOM 267 CD ARG A 19 -0.301 20.981 13.453 1.00 41.13 C ATOM 268 NE ARG A 19 1.097 20.853 13.858 1.00 41.31 N ATOM 269 CZ ARG A 19 1.593 19.861 14.608 1.00 63.25 C ATOM 270 NH1 ARG A 19 0.791 18.906 15.089 1.00 32.51 N ATOM 271 NH2 ARG A 19 2.892 19.813 14.858 1.00 62.43 N ATOM 0 H ARG A 19 -0.856 21.917 9.730 1.00 70.23 H new ATOM 0 HA ARG A 19 -2.134 20.196 11.751 1.00 21.01 H new ATOM 0 HB2 ARG A 19 -2.068 23.183 11.466 1.00 63.22 H new ATOM 0 HB3 ARG A 19 -2.681 22.250 12.817 1.00 63.22 H new ATOM 0 HG2 ARG A 19 0.207 22.338 11.867 1.00 34.34 H new ATOM 0 HG3 ARG A 19 -0.434 23.120 13.299 1.00 34.34 H new ATOM 0 HD2 ARG A 19 -0.937 20.983 14.338 1.00 41.13 H new ATOM 0 HD3 ARG A 19 -0.587 20.114 12.857 1.00 41.13 H new ATOM 0 HE ARG A 19 1.745 21.575 13.545 1.00 41.31 H new ATOM 0 HH11 ARG A 19 -0.208 18.929 14.886 1.00 32.51 H new ATOM 0 HH12 ARG A 19 1.178 18.154 15.659 1.00 32.51 H new ATOM 0 HH21 ARG A 19 3.511 20.530 14.480 1.00 62.43 H new ATOM 0 HH22 ARG A 19 3.274 19.059 15.429 1.00 62.43 H new ATOM 285 N ALA A 20 -4.024 20.021 10.118 1.00 32.00 N ATOM 286 CA ALA A 20 -5.114 19.897 9.204 1.00 12.35 C ATOM 287 C ALA A 20 -6.445 19.777 9.897 1.00 55.02 C ATOM 288 O ALA A 20 -6.526 19.530 11.101 1.00 41.20 O ATOM 289 CB ALA A 20 -4.862 18.701 8.306 1.00 45.02 C ATOM 0 H ALA A 20 -3.731 19.142 10.545 1.00 32.00 H new ATOM 0 HA ALA A 20 -5.167 20.810 8.610 1.00 12.35 H new ATOM 0 HB1 ALA A 20 -5.687 18.594 7.602 1.00 45.02 H new ATOM 0 HB2 ALA A 20 -3.933 18.849 7.756 1.00 45.02 H new ATOM 0 HB3 ALA A 20 -4.785 17.800 8.914 1.00 45.02 H new ATOM 295 N ASP A 21 -7.481 19.909 9.101 1.00 15.15 N ATOM 296 CA ASP A 21 -8.872 19.839 9.539 1.00 53.00 C ATOM 297 C ASP A 21 -9.313 18.377 9.577 1.00 2.45 C ATOM 298 O ASP A 21 -10.416 18.036 10.002 1.00 22.12 O ATOM 299 CB ASP A 21 -9.737 20.649 8.553 1.00 53.14 C ATOM 300 CG ASP A 21 -11.211 20.720 8.908 1.00 61.21 C ATOM 301 OD1 ASP A 21 -11.585 21.544 9.755 1.00 12.14 O ATOM 302 OD2 ASP A 21 -12.029 19.999 8.289 1.00 4.14 O ATOM 0 H ASP A 21 -7.385 20.073 8.099 1.00 15.15 H new ATOM 0 HA ASP A 21 -8.984 20.258 10.539 1.00 53.00 H new ATOM 0 HB2 ASP A 21 -9.343 21.663 8.495 1.00 53.14 H new ATOM 0 HB3 ASP A 21 -9.638 20.211 7.560 1.00 53.14 H new ATOM 307 N LEU A 22 -8.391 17.493 9.190 1.00 14.31 N ATOM 308 CA LEU A 22 -8.652 16.062 9.138 1.00 40.11 C ATOM 309 C LEU A 22 -8.950 15.471 10.518 1.00 21.13 C ATOM 310 O LEU A 22 -9.470 14.378 10.628 1.00 54.24 O ATOM 311 CB LEU A 22 -7.542 15.287 8.365 1.00 33.24 C ATOM 312 CG LEU A 22 -6.089 15.280 8.911 1.00 74.24 C ATOM 313 CD1 LEU A 22 -5.935 14.401 10.155 1.00 31.14 C ATOM 314 CD2 LEU A 22 -5.123 14.834 7.826 1.00 63.04 C ATOM 0 H LEU A 22 -7.447 17.753 8.906 1.00 14.31 H new ATOM 0 HA LEU A 22 -9.566 15.931 8.559 1.00 40.11 H new ATOM 0 HB2 LEU A 22 -7.865 14.249 8.284 1.00 33.24 H new ATOM 0 HB3 LEU A 22 -7.508 15.690 7.353 1.00 33.24 H new ATOM 0 HG LEU A 22 -5.853 16.301 9.211 1.00 74.24 H new ATOM 0 HD11 LEU A 22 -4.900 14.431 10.496 1.00 31.14 H new ATOM 0 HD12 LEU A 22 -6.589 14.771 10.945 1.00 31.14 H new ATOM 0 HD13 LEU A 22 -6.207 13.374 9.911 1.00 31.14 H new ATOM 0 HD21 LEU A 22 -4.107 14.833 8.221 1.00 63.04 H new ATOM 0 HD22 LEU A 22 -5.385 13.829 7.496 1.00 63.04 H new ATOM 0 HD23 LEU A 22 -5.183 15.520 6.981 1.00 63.04 H new ATOM 326 N LEU A 23 -8.645 16.218 11.570 1.00 21.25 N ATOM 327 CA LEU A 23 -8.969 15.790 12.900 1.00 31.11 C ATOM 328 C LEU A 23 -10.493 15.801 13.130 1.00 22.05 C ATOM 329 O LEU A 23 -10.999 15.130 14.019 1.00 11.42 O ATOM 330 CB LEU A 23 -8.159 16.574 13.960 1.00 62.12 C ATOM 331 CG LEU A 23 -8.149 18.118 13.900 1.00 3.21 C ATOM 332 CD1 LEU A 23 -9.484 18.725 14.297 1.00 21.41 C ATOM 333 CD2 LEU A 23 -7.039 18.662 14.775 1.00 72.25 C ATOM 0 H LEU A 23 -8.174 17.121 11.516 1.00 21.25 H new ATOM 0 HA LEU A 23 -8.663 14.751 13.019 1.00 31.11 H new ATOM 0 HB2 LEU A 23 -8.534 16.285 14.942 1.00 62.12 H new ATOM 0 HB3 LEU A 23 -7.125 16.235 13.901 1.00 62.12 H new ATOM 0 HG LEU A 23 -7.969 18.402 12.863 1.00 3.21 H new ATOM 0 HD11 LEU A 23 -9.422 19.812 14.237 1.00 21.41 H new ATOM 0 HD12 LEU A 23 -10.261 18.368 13.621 1.00 21.41 H new ATOM 0 HD13 LEU A 23 -9.728 18.431 15.318 1.00 21.41 H new ATOM 0 HD21 LEU A 23 -7.039 19.751 14.727 1.00 72.25 H new ATOM 0 HD22 LEU A 23 -7.199 18.344 15.805 1.00 72.25 H new ATOM 0 HD23 LEU A 23 -6.079 18.283 14.423 1.00 72.25 H new ATOM 345 N LYS A 24 -11.213 16.548 12.292 1.00 25.14 N ATOM 346 CA LYS A 24 -12.665 16.538 12.322 1.00 14.35 C ATOM 347 C LYS A 24 -13.138 15.356 11.493 1.00 24.11 C ATOM 348 O LYS A 24 -14.074 14.640 11.870 1.00 43.44 O ATOM 349 CB LYS A 24 -13.254 17.854 11.775 1.00 74.02 C ATOM 350 CG LYS A 24 -12.806 19.115 12.525 1.00 72.12 C ATOM 351 CD LYS A 24 -13.180 19.086 14.015 1.00 74.50 C ATOM 352 CE LYS A 24 -14.691 19.109 14.253 1.00 64.13 C ATOM 353 NZ LYS A 24 -15.329 20.357 13.793 1.00 44.34 N ATOM 0 H LYS A 24 -10.809 17.165 11.587 1.00 25.14 H new ATOM 0 HA LYS A 24 -13.008 16.446 13.353 1.00 14.35 H new ATOM 0 HB2 LYS A 24 -12.975 17.953 10.726 1.00 74.02 H new ATOM 0 HB3 LYS A 24 -14.342 17.793 11.811 1.00 74.02 H new ATOM 0 HG2 LYS A 24 -11.726 19.225 12.428 1.00 72.12 H new ATOM 0 HG3 LYS A 24 -13.259 19.990 12.058 1.00 72.12 H new ATOM 0 HD2 LYS A 24 -12.759 18.190 14.472 1.00 74.50 H new ATOM 0 HD3 LYS A 24 -12.726 19.942 14.515 1.00 74.50 H new ATOM 0 HE2 LYS A 24 -15.147 18.263 13.738 1.00 64.13 H new ATOM 0 HE3 LYS A 24 -14.887 18.978 15.317 1.00 64.13 H new ATOM 0 HZ1 LYS A 24 -16.327 20.365 14.086 1.00 44.34 H new ATOM 0 HZ2 LYS A 24 -14.838 21.173 14.212 1.00 44.34 H new ATOM 0 HZ3 LYS A 24 -15.272 20.414 12.756 1.00 44.34 H new ATOM 367 N GLU A 25 -12.430 15.127 10.378 1.00 53.42 N ATOM 368 CA GLU A 25 -12.675 13.991 9.483 1.00 53.15 C ATOM 369 C GLU A 25 -12.553 12.683 10.256 1.00 4.23 C ATOM 370 O GLU A 25 -13.266 11.717 9.977 1.00 3.54 O ATOM 371 CB GLU A 25 -11.664 13.993 8.333 1.00 1.32 C ATOM 372 CG GLU A 25 -11.776 15.169 7.381 1.00 10.34 C ATOM 373 CD GLU A 25 -13.080 15.173 6.645 1.00 72.33 C ATOM 374 OE1 GLU A 25 -13.316 14.264 5.835 1.00 65.14 O ATOM 375 OE2 GLU A 25 -13.891 16.097 6.847 1.00 25.02 O ATOM 0 H GLU A 25 -11.667 15.730 10.071 1.00 53.42 H new ATOM 0 HA GLU A 25 -13.682 14.082 9.076 1.00 53.15 H new ATOM 0 HB2 GLU A 25 -10.658 13.980 8.754 1.00 1.32 H new ATOM 0 HB3 GLU A 25 -11.783 13.071 7.763 1.00 1.32 H new ATOM 0 HG2 GLU A 25 -11.672 16.099 7.940 1.00 10.34 H new ATOM 0 HG3 GLU A 25 -10.955 15.135 6.664 1.00 10.34 H new ATOM 382 N MET A 26 -11.640 12.682 11.216 1.00 4.40 N ATOM 383 CA MET A 26 -11.402 11.571 12.123 1.00 63.40 C ATOM 384 C MET A 26 -12.679 11.149 12.838 1.00 35.00 C ATOM 385 O MET A 26 -13.013 9.973 12.872 1.00 15.22 O ATOM 386 CB MET A 26 -10.361 11.969 13.168 1.00 72.24 C ATOM 387 CG MET A 26 -10.094 10.901 14.220 1.00 12.54 C ATOM 388 SD MET A 26 -8.964 11.453 15.512 1.00 54.15 S ATOM 389 CE MET A 26 -9.942 12.745 16.288 1.00 15.12 C ATOM 0 H MET A 26 -11.027 13.478 11.390 1.00 4.40 H new ATOM 0 HA MET A 26 -11.042 10.731 11.528 1.00 63.40 H new ATOM 0 HB2 MET A 26 -9.426 12.206 12.661 1.00 72.24 H new ATOM 0 HB3 MET A 26 -10.693 12.880 13.667 1.00 72.24 H new ATOM 0 HG2 MET A 26 -11.039 10.602 14.674 1.00 12.54 H new ATOM 0 HG3 MET A 26 -9.679 10.017 13.735 1.00 12.54 H new ATOM 0 HE1 MET A 26 -9.630 12.864 17.326 1.00 15.12 H new ATOM 0 HE2 MET A 26 -9.794 13.684 15.754 1.00 15.12 H new ATOM 0 HE3 MET A 26 -10.997 12.472 16.255 1.00 15.12 H new ATOM 399 N GLU A 27 -13.392 12.108 13.402 1.00 14.30 N ATOM 400 CA GLU A 27 -14.607 11.809 14.145 1.00 73.32 C ATOM 401 C GLU A 27 -15.699 11.337 13.209 1.00 13.12 C ATOM 402 O GLU A 27 -16.461 10.420 13.540 1.00 42.33 O ATOM 403 CB GLU A 27 -15.052 13.011 14.981 1.00 30.01 C ATOM 404 CG GLU A 27 -16.377 12.815 15.703 1.00 23.53 C ATOM 405 CD GLU A 27 -16.680 13.899 16.705 1.00 21.34 C ATOM 406 OE1 GLU A 27 -16.861 15.068 16.319 1.00 62.14 O ATOM 407 OE2 GLU A 27 -16.771 13.577 17.909 1.00 43.50 O ATOM 0 H GLU A 27 -13.153 13.099 13.361 1.00 14.30 H new ATOM 0 HA GLU A 27 -14.395 10.997 14.841 1.00 73.32 H new ATOM 0 HB2 GLU A 27 -14.280 13.233 15.717 1.00 30.01 H new ATOM 0 HB3 GLU A 27 -15.131 13.882 14.330 1.00 30.01 H new ATOM 0 HG2 GLU A 27 -17.180 12.776 14.967 1.00 23.53 H new ATOM 0 HG3 GLU A 27 -16.365 11.852 16.213 1.00 23.53 H new ATOM 414 N SER A 28 -15.727 11.916 12.031 1.00 23.44 N ATOM 415 CA SER A 28 -16.677 11.561 11.013 1.00 40.14 C ATOM 416 C SER A 28 -16.498 10.084 10.585 1.00 33.31 C ATOM 417 O SER A 28 -17.479 9.370 10.363 1.00 51.20 O ATOM 418 CB SER A 28 -16.507 12.522 9.836 1.00 12.44 C ATOM 419 OG SER A 28 -16.538 13.872 10.313 1.00 62.51 O ATOM 0 H SER A 28 -15.081 12.655 11.754 1.00 23.44 H new ATOM 0 HA SER A 28 -17.692 11.651 11.399 1.00 40.14 H new ATOM 0 HB2 SER A 28 -15.563 12.327 9.327 1.00 12.44 H new ATOM 0 HB3 SER A 28 -17.301 12.365 9.107 1.00 12.44 H new ATOM 0 HG SER A 28 -15.658 14.113 10.669 1.00 62.51 H new ATOM 425 N SER A 29 -15.250 9.620 10.524 1.00 53.03 N ATOM 426 CA SER A 29 -14.979 8.241 10.170 1.00 21.53 C ATOM 427 C SER A 29 -15.030 7.306 11.391 1.00 52.10 C ATOM 428 O SER A 29 -15.112 6.089 11.242 1.00 43.34 O ATOM 429 CB SER A 29 -13.656 8.121 9.403 1.00 51.01 C ATOM 430 OG SER A 29 -12.592 8.780 10.078 1.00 63.32 O ATOM 0 H SER A 29 -14.420 10.181 10.715 1.00 53.03 H new ATOM 0 HA SER A 29 -15.776 7.912 9.503 1.00 21.53 H new ATOM 0 HB2 SER A 29 -13.406 7.068 9.272 1.00 51.01 H new ATOM 0 HB3 SER A 29 -13.774 8.547 8.407 1.00 51.01 H new ATOM 0 HG SER A 29 -11.769 8.258 9.979 1.00 63.32 H new ATOM 436 N THR A 30 -14.955 7.879 12.595 1.00 3.50 N ATOM 437 CA THR A 30 -15.051 7.102 13.818 1.00 5.03 C ATOM 438 C THR A 30 -16.442 6.457 13.903 1.00 1.43 C ATOM 439 O THR A 30 -17.479 7.140 13.814 1.00 71.43 O ATOM 440 CB THR A 30 -14.747 7.966 15.073 1.00 22.43 C ATOM 441 OG1 THR A 30 -13.387 8.448 15.000 1.00 42.33 O ATOM 442 CG2 THR A 30 -14.916 7.162 16.356 1.00 32.01 C ATOM 0 H THR A 30 -14.828 8.880 12.742 1.00 3.50 H new ATOM 0 HA THR A 30 -14.296 6.316 13.794 1.00 5.03 H new ATOM 0 HB THR A 30 -15.451 8.798 15.091 1.00 22.43 H new ATOM 0 HG1 THR A 30 -13.280 9.007 14.202 1.00 42.33 H new ATOM 0 HG21 THR A 30 -14.696 7.796 17.215 1.00 32.01 H new ATOM 0 HG22 THR A 30 -15.942 6.800 16.426 1.00 32.01 H new ATOM 0 HG23 THR A 30 -14.232 6.314 16.347 1.00 32.01 H new ATOM 450 N GLY A 31 -16.449 5.167 14.063 1.00 73.35 N ATOM 451 CA GLY A 31 -17.660 4.404 13.984 1.00 71.23 C ATOM 452 C GLY A 31 -17.593 3.537 12.757 1.00 5.33 C ATOM 453 O GLY A 31 -18.611 3.215 12.125 1.00 74.32 O ATOM 0 H GLY A 31 -15.614 4.613 14.252 1.00 73.35 H new ATOM 0 HA2 GLY A 31 -17.781 3.790 14.877 1.00 71.23 H new ATOM 0 HA3 GLY A 31 -18.524 5.067 13.934 1.00 71.23 H new ATOM 457 N THR A 32 -16.382 3.190 12.401 1.00 45.03 N ATOM 458 CA THR A 32 -16.109 2.391 11.261 1.00 70.33 C ATOM 459 C THR A 32 -15.829 0.973 11.709 1.00 41.11 C ATOM 460 O THR A 32 -15.203 0.749 12.750 1.00 23.30 O ATOM 461 CB THR A 32 -14.894 2.956 10.429 1.00 24.31 C ATOM 462 OG1 THR A 32 -14.614 2.121 9.280 1.00 22.33 O ATOM 463 CG2 THR A 32 -13.626 3.082 11.282 1.00 73.45 C ATOM 0 H THR A 32 -15.547 3.468 12.916 1.00 45.03 H new ATOM 0 HA THR A 32 -16.981 2.409 10.607 1.00 70.33 H new ATOM 0 HB THR A 32 -15.185 3.950 10.091 1.00 24.31 H new ATOM 0 HG1 THR A 32 -14.353 1.226 9.582 1.00 22.33 H new ATOM 0 HG21 THR A 32 -12.814 3.475 10.670 1.00 73.45 H new ATOM 0 HG22 THR A 32 -13.814 3.760 12.115 1.00 73.45 H new ATOM 0 HG23 THR A 32 -13.348 2.101 11.668 1.00 73.45 H new ATOM 471 N ALA A 33 -16.324 0.034 10.971 1.00 10.14 N ATOM 472 CA ALA A 33 -16.040 -1.337 11.228 1.00 2.22 C ATOM 473 C ALA A 33 -14.630 -1.612 10.726 1.00 10.22 C ATOM 474 O ALA A 33 -14.169 -0.925 9.780 1.00 74.31 O ATOM 475 CB ALA A 33 -17.056 -2.222 10.514 1.00 61.34 C ATOM 0 H ALA A 33 -16.937 0.197 10.172 1.00 10.14 H new ATOM 0 HA ALA A 33 -16.106 -1.557 12.294 1.00 2.22 H new ATOM 0 HB1 ALA A 33 -16.832 -3.269 10.716 1.00 61.34 H new ATOM 0 HB2 ALA A 33 -18.058 -1.990 10.875 1.00 61.34 H new ATOM 0 HB3 ALA A 33 -17.006 -2.041 9.440 1.00 61.34 H new ATOM 481 N PRO A 34 -13.883 -2.533 11.362 1.00 23.20 N ATOM 482 CA PRO A 34 -12.558 -2.890 10.886 1.00 2.32 C ATOM 483 C PRO A 34 -12.659 -3.491 9.495 1.00 5.00 C ATOM 484 O PRO A 34 -13.603 -4.240 9.193 1.00 53.34 O ATOM 485 CB PRO A 34 -12.069 -3.942 11.892 1.00 52.00 C ATOM 486 CG PRO A 34 -12.922 -3.740 13.094 1.00 10.33 C ATOM 487 CD PRO A 34 -14.250 -3.275 12.580 1.00 45.14 C ATOM 0 HA PRO A 34 -11.883 -2.037 10.818 1.00 2.32 H new ATOM 0 HB2 PRO A 34 -12.178 -4.951 11.494 1.00 52.00 H new ATOM 0 HB3 PRO A 34 -11.014 -3.804 12.128 1.00 52.00 H new ATOM 0 HG2 PRO A 34 -13.025 -4.666 13.660 1.00 10.33 H new ATOM 0 HG3 PRO A 34 -12.483 -3.002 13.765 1.00 10.33 H new ATOM 0 HD2 PRO A 34 -14.915 -4.111 12.360 1.00 45.14 H new ATOM 0 HD3 PRO A 34 -14.764 -2.640 13.302 1.00 45.14 H new ATOM 495 N ALA A 35 -11.727 -3.184 8.664 1.00 23.42 N ATOM 496 CA ALA A 35 -11.788 -3.647 7.325 1.00 14.42 C ATOM 497 C ALA A 35 -10.905 -4.858 7.172 1.00 11.12 C ATOM 498 O ALA A 35 -9.720 -4.818 7.492 1.00 11.21 O ATOM 499 CB ALA A 35 -11.390 -2.529 6.379 1.00 11.40 C ATOM 0 H ALA A 35 -10.912 -2.613 8.889 1.00 23.42 H new ATOM 0 HA ALA A 35 -12.807 -3.943 7.074 1.00 14.42 H new ATOM 0 HB1 ALA A 35 -11.438 -2.888 5.351 1.00 11.40 H new ATOM 0 HB2 ALA A 35 -12.073 -1.688 6.502 1.00 11.40 H new ATOM 0 HB3 ALA A 35 -10.373 -2.207 6.604 1.00 11.40 H new ATOM 505 N SER A 36 -11.492 -5.934 6.699 1.00 12.01 N ATOM 506 CA SER A 36 -10.821 -7.198 6.495 1.00 42.23 C ATOM 507 C SER A 36 -11.682 -8.096 5.609 1.00 14.45 C ATOM 508 O SER A 36 -12.898 -8.051 5.693 1.00 71.21 O ATOM 509 CB SER A 36 -10.547 -7.911 7.839 1.00 55.11 C ATOM 510 OG SER A 36 -9.639 -7.178 8.653 1.00 63.40 O ATOM 0 H SER A 36 -12.478 -5.954 6.438 1.00 12.01 H new ATOM 0 HA SER A 36 -9.864 -7.001 6.011 1.00 42.23 H new ATOM 0 HB2 SER A 36 -11.486 -8.048 8.375 1.00 55.11 H new ATOM 0 HB3 SER A 36 -10.142 -8.904 7.647 1.00 55.11 H new ATOM 0 HG SER A 36 -9.276 -6.425 8.142 1.00 63.40 H new ATOM 516 N THR A 37 -11.053 -8.872 4.752 1.00 2.41 N ATOM 517 CA THR A 37 -11.767 -9.812 3.892 1.00 4.54 C ATOM 518 C THR A 37 -11.311 -11.251 4.201 1.00 4.23 C ATOM 519 O THR A 37 -11.682 -12.210 3.517 1.00 35.40 O ATOM 520 CB THR A 37 -11.552 -9.467 2.380 1.00 62.42 C ATOM 521 OG1 THR A 37 -12.253 -10.395 1.539 1.00 24.10 O ATOM 522 CG2 THR A 37 -10.074 -9.462 2.008 1.00 1.21 C ATOM 0 H THR A 37 -10.041 -8.875 4.627 1.00 2.41 H new ATOM 0 HA THR A 37 -12.835 -9.731 4.096 1.00 4.54 H new ATOM 0 HB THR A 37 -11.951 -8.465 2.223 1.00 62.42 H new ATOM 0 HG1 THR A 37 -12.276 -11.275 1.970 1.00 24.10 H new ATOM 0 HG21 THR A 37 -9.966 -9.219 0.951 1.00 1.21 H new ATOM 0 HG22 THR A 37 -9.550 -8.717 2.607 1.00 1.21 H new ATOM 0 HG23 THR A 37 -9.647 -10.447 2.199 1.00 1.21 H new ATOM 530 N GLY A 38 -10.551 -11.369 5.252 1.00 22.33 N ATOM 531 CA GLY A 38 -9.981 -12.624 5.674 1.00 73.54 C ATOM 532 C GLY A 38 -8.897 -12.306 6.642 1.00 11.42 C ATOM 533 O GLY A 38 -7.716 -12.600 6.405 1.00 23.14 O ATOM 0 H GLY A 38 -10.303 -10.583 5.853 1.00 22.33 H new ATOM 0 HA2 GLY A 38 -10.739 -13.255 6.138 1.00 73.54 H new ATOM 0 HA3 GLY A 38 -9.586 -13.175 4.820 1.00 73.54 H new ATOM 537 N ALA A 39 -9.323 -11.761 7.762 1.00 0.20 N ATOM 538 CA ALA A 39 -8.466 -11.094 8.731 1.00 45.11 C ATOM 539 C ALA A 39 -7.354 -11.975 9.245 1.00 4.21 C ATOM 540 O ALA A 39 -6.196 -11.588 9.238 1.00 51.13 O ATOM 541 CB ALA A 39 -9.322 -10.621 9.892 1.00 41.44 C ATOM 0 H ALA A 39 -10.306 -11.768 8.036 1.00 0.20 H new ATOM 0 HA ALA A 39 -7.988 -10.255 8.226 1.00 45.11 H new ATOM 0 HB1 ALA A 39 -8.693 -10.119 10.627 1.00 41.44 H new ATOM 0 HB2 ALA A 39 -10.079 -9.927 9.527 1.00 41.44 H new ATOM 0 HB3 ALA A 39 -9.810 -11.478 10.357 1.00 41.44 H new ATOM 547 N GLU A 40 -7.690 -13.164 9.622 1.00 13.31 N ATOM 548 CA GLU A 40 -6.712 -14.062 10.193 1.00 71.23 C ATOM 549 C GLU A 40 -6.297 -15.132 9.195 1.00 15.11 C ATOM 550 O GLU A 40 -5.509 -16.030 9.520 1.00 15.31 O ATOM 551 CB GLU A 40 -7.314 -14.737 11.408 1.00 30.32 C ATOM 552 CG GLU A 40 -8.546 -15.558 11.082 1.00 52.05 C ATOM 553 CD GLU A 40 -9.086 -16.285 12.261 1.00 33.13 C ATOM 554 OE1 GLU A 40 -8.598 -17.386 12.570 1.00 1.42 O ATOM 555 OE2 GLU A 40 -10.022 -15.783 12.896 1.00 72.22 O ATOM 0 H GLU A 40 -8.633 -13.547 9.550 1.00 13.31 H new ATOM 0 HA GLU A 40 -5.831 -13.482 10.467 1.00 71.23 H new ATOM 0 HB2 GLU A 40 -6.565 -15.383 11.866 1.00 30.32 H new ATOM 0 HB3 GLU A 40 -7.575 -13.978 12.146 1.00 30.32 H new ATOM 0 HG2 GLU A 40 -9.318 -14.901 10.681 1.00 52.05 H new ATOM 0 HG3 GLU A 40 -8.301 -16.276 10.300 1.00 52.05 H new ATOM 562 N ASN A 41 -6.806 -15.045 7.992 1.00 72.32 N ATOM 563 CA ASN A 41 -6.601 -16.128 7.054 1.00 11.55 C ATOM 564 C ASN A 41 -5.368 -15.927 6.223 1.00 4.22 C ATOM 565 O ASN A 41 -4.561 -16.849 6.115 1.00 35.11 O ATOM 566 CB ASN A 41 -7.816 -16.273 6.122 1.00 43.11 C ATOM 567 CG ASN A 41 -9.122 -16.460 6.866 1.00 20.11 C ATOM 568 OD1 ASN A 41 -9.801 -15.491 7.194 1.00 43.44 O ATOM 569 ND2 ASN A 41 -9.479 -17.674 7.146 1.00 30.20 N ATOM 0 H ASN A 41 -7.352 -14.258 7.642 1.00 72.32 H new ATOM 0 HA ASN A 41 -6.474 -17.036 7.644 1.00 11.55 H new ATOM 0 HB2 ASN A 41 -7.889 -15.387 5.491 1.00 43.11 H new ATOM 0 HB3 ASN A 41 -7.658 -17.124 5.460 1.00 43.11 H new ATOM 0 HD21 ASN A 41 -10.347 -17.846 7.653 1.00 30.20 H new ATOM 0 HD22 ASN A 41 -8.892 -18.457 6.859 1.00 30.20 H new ATOM 576 N LEU A 42 -5.176 -14.681 5.717 1.00 23.20 N ATOM 577 CA LEU A 42 -4.051 -14.333 4.795 1.00 33.52 C ATOM 578 C LEU A 42 -3.745 -15.497 3.822 1.00 53.31 C ATOM 579 O LEU A 42 -2.691 -16.131 3.931 1.00 75.04 O ATOM 580 CB LEU A 42 -2.762 -13.886 5.541 1.00 20.15 C ATOM 581 CG LEU A 42 -2.788 -12.547 6.320 1.00 53.25 C ATOM 582 CD1 LEU A 42 -3.234 -11.389 5.441 1.00 55.31 C ATOM 583 CD2 LEU A 42 -3.628 -12.634 7.585 1.00 53.31 C ATOM 0 H LEU A 42 -5.787 -13.893 5.931 1.00 23.20 H new ATOM 0 HA LEU A 42 -4.390 -13.472 4.218 1.00 33.52 H new ATOM 0 HB2 LEU A 42 -2.496 -14.674 6.245 1.00 20.15 H new ATOM 0 HB3 LEU A 42 -1.957 -13.828 4.808 1.00 20.15 H new ATOM 0 HG LEU A 42 -1.762 -12.349 6.629 1.00 53.25 H new ATOM 0 HD11 LEU A 42 -3.238 -10.469 6.026 1.00 55.31 H new ATOM 0 HD12 LEU A 42 -2.546 -11.283 4.602 1.00 55.31 H new ATOM 0 HD13 LEU A 42 -4.238 -11.584 5.064 1.00 55.31 H new ATOM 0 HD21 LEU A 42 -3.616 -11.672 8.097 1.00 53.31 H new ATOM 0 HD22 LEU A 42 -4.654 -12.893 7.323 1.00 53.31 H new ATOM 0 HD23 LEU A 42 -3.217 -13.400 8.243 1.00 53.31 H new ATOM 595 N PRO A 43 -4.678 -15.771 2.866 1.00 64.44 N ATOM 596 CA PRO A 43 -4.704 -16.985 2.021 1.00 5.51 C ATOM 597 C PRO A 43 -3.357 -17.521 1.545 1.00 53.40 C ATOM 598 O PRO A 43 -2.900 -18.568 2.012 1.00 1.45 O ATOM 599 CB PRO A 43 -5.588 -16.588 0.827 1.00 0.04 C ATOM 600 CG PRO A 43 -5.894 -15.139 1.030 1.00 62.24 C ATOM 601 CD PRO A 43 -5.790 -14.900 2.490 1.00 3.25 C ATOM 0 HA PRO A 43 -5.077 -17.820 2.614 1.00 5.51 H new ATOM 0 HB2 PRO A 43 -5.070 -16.752 -0.118 1.00 0.04 H new ATOM 0 HB3 PRO A 43 -6.501 -17.183 0.798 1.00 0.04 H new ATOM 0 HG2 PRO A 43 -5.192 -14.511 0.481 1.00 62.24 H new ATOM 0 HG3 PRO A 43 -6.892 -14.896 0.665 1.00 62.24 H new ATOM 0 HD2 PRO A 43 -5.583 -13.854 2.718 1.00 3.25 H new ATOM 0 HD3 PRO A 43 -6.709 -15.164 3.013 1.00 3.25 H new ATOM 609 N ALA A 44 -2.724 -16.819 0.646 1.00 34.25 N ATOM 610 CA ALA A 44 -1.466 -17.302 0.080 1.00 15.43 C ATOM 611 C ALA A 44 -0.260 -16.866 0.898 1.00 5.31 C ATOM 612 O ALA A 44 0.866 -17.259 0.607 1.00 52.02 O ATOM 613 CB ALA A 44 -1.315 -16.865 -1.369 1.00 72.22 C ATOM 0 H ALA A 44 -3.042 -15.920 0.284 1.00 34.25 H new ATOM 0 HA ALA A 44 -1.504 -18.391 0.113 1.00 15.43 H new ATOM 0 HB1 ALA A 44 -0.370 -17.238 -1.765 1.00 72.22 H new ATOM 0 HB2 ALA A 44 -2.139 -17.267 -1.958 1.00 72.22 H new ATOM 0 HB3 ALA A 44 -1.327 -15.776 -1.424 1.00 72.22 H new ATOM 619 N GLY A 45 -0.488 -16.042 1.902 1.00 20.01 N ATOM 620 CA GLY A 45 0.608 -15.545 2.730 1.00 33.30 C ATOM 621 C GLY A 45 1.356 -14.396 2.068 1.00 53.44 C ATOM 622 O GLY A 45 2.243 -13.785 2.657 1.00 12.21 O ATOM 0 H GLY A 45 -1.412 -15.701 2.168 1.00 20.01 H new ATOM 0 HA2 GLY A 45 0.214 -15.213 3.691 1.00 33.30 H new ATOM 0 HA3 GLY A 45 1.304 -16.359 2.935 1.00 33.30 H new ATOM 626 N SER A 46 0.981 -14.103 0.857 1.00 13.13 N ATOM 627 CA SER A 46 1.568 -13.050 0.089 1.00 41.23 C ATOM 628 C SER A 46 0.483 -12.023 -0.122 1.00 43.25 C ATOM 629 O SER A 46 -0.706 -12.380 -0.093 1.00 51.41 O ATOM 630 CB SER A 46 2.022 -13.611 -1.248 1.00 34.31 C ATOM 631 OG SER A 46 2.797 -14.791 -1.056 1.00 61.23 O ATOM 0 H SER A 46 0.240 -14.604 0.366 1.00 13.13 H new ATOM 0 HA SER A 46 2.430 -12.609 0.590 1.00 41.23 H new ATOM 0 HB2 SER A 46 1.154 -13.835 -1.868 1.00 34.31 H new ATOM 0 HB3 SER A 46 2.611 -12.865 -1.781 1.00 34.31 H new ATOM 0 HG SER A 46 3.081 -15.141 -1.926 1.00 61.23 H new ATOM 637 N ALA A 47 0.841 -10.780 -0.307 1.00 55.20 N ATOM 638 CA ALA A 47 -0.150 -9.751 -0.414 1.00 53.13 C ATOM 639 C ALA A 47 0.326 -8.585 -1.240 1.00 1.10 C ATOM 640 O ALA A 47 1.539 -8.356 -1.388 1.00 71.00 O ATOM 641 CB ALA A 47 -0.567 -9.292 0.956 1.00 43.21 C ATOM 0 H ALA A 47 1.806 -10.460 -0.386 1.00 55.20 H new ATOM 0 HA ALA A 47 -1.011 -10.177 -0.929 1.00 53.13 H new ATOM 0 HB1 ALA A 47 -1.320 -8.510 0.864 1.00 43.21 H new ATOM 0 HB2 ALA A 47 -0.983 -10.133 1.511 1.00 43.21 H new ATOM 0 HB3 ALA A 47 0.300 -8.900 1.488 1.00 43.21 H new ATOM 647 N LEU A 48 -0.623 -7.862 -1.769 1.00 14.04 N ATOM 648 CA LEU A 48 -0.381 -6.717 -2.576 1.00 3.01 C ATOM 649 C LEU A 48 -1.281 -5.572 -2.128 1.00 3.11 C ATOM 650 O LEU A 48 -2.273 -5.782 -1.436 1.00 12.40 O ATOM 651 CB LEU A 48 -0.531 -7.037 -4.117 1.00 13.14 C ATOM 652 CG LEU A 48 -1.877 -7.624 -4.699 1.00 21.40 C ATOM 653 CD1 LEU A 48 -2.259 -8.983 -4.123 1.00 12.42 C ATOM 654 CD2 LEU A 48 -3.040 -6.638 -4.618 1.00 44.52 C ATOM 0 H LEU A 48 -1.614 -8.067 -1.641 1.00 14.04 H new ATOM 0 HA LEU A 48 0.655 -6.407 -2.439 1.00 3.01 H new ATOM 0 HB2 LEU A 48 -0.327 -6.112 -4.656 1.00 13.14 H new ATOM 0 HB3 LEU A 48 0.262 -7.739 -4.376 1.00 13.14 H new ATOM 0 HG LEU A 48 -1.665 -7.791 -5.755 1.00 21.40 H new ATOM 0 HD11 LEU A 48 -3.194 -9.319 -4.572 1.00 12.42 H new ATOM 0 HD12 LEU A 48 -1.472 -9.705 -4.341 1.00 12.42 H new ATOM 0 HD13 LEU A 48 -2.385 -8.898 -3.044 1.00 12.42 H new ATOM 0 HD21 LEU A 48 -3.937 -7.098 -5.033 1.00 44.52 H new ATOM 0 HD22 LEU A 48 -3.218 -6.370 -3.577 1.00 44.52 H new ATOM 0 HD23 LEU A 48 -2.796 -5.741 -5.187 1.00 44.52 H new ATOM 666 N LEU A 49 -0.938 -4.389 -2.486 1.00 64.24 N ATOM 667 CA LEU A 49 -1.749 -3.243 -2.165 1.00 21.25 C ATOM 668 C LEU A 49 -1.954 -2.420 -3.405 1.00 45.04 C ATOM 669 O LEU A 49 -1.014 -2.215 -4.178 1.00 64.31 O ATOM 670 CB LEU A 49 -1.187 -2.384 -0.988 1.00 42.50 C ATOM 671 CG LEU A 49 0.228 -1.765 -1.115 1.00 44.34 C ATOM 672 CD1 LEU A 49 0.447 -0.765 0.005 1.00 61.53 C ATOM 673 CD2 LEU A 49 1.311 -2.831 -1.030 1.00 55.22 C ATOM 0 H LEU A 49 -0.090 -4.174 -3.010 1.00 64.24 H new ATOM 0 HA LEU A 49 -2.709 -3.612 -1.805 1.00 21.25 H new ATOM 0 HB2 LEU A 49 -1.888 -1.568 -0.813 1.00 42.50 H new ATOM 0 HB3 LEU A 49 -1.194 -3.007 -0.094 1.00 42.50 H new ATOM 0 HG LEU A 49 0.291 -1.276 -2.087 1.00 44.34 H new ATOM 0 HD11 LEU A 49 1.442 -0.330 -0.085 1.00 61.53 H new ATOM 0 HD12 LEU A 49 -0.301 0.025 -0.061 1.00 61.53 H new ATOM 0 HD13 LEU A 49 0.357 -1.270 0.967 1.00 61.53 H new ATOM 0 HD21 LEU A 49 2.291 -2.362 -1.123 1.00 55.22 H new ATOM 0 HD22 LEU A 49 1.243 -3.343 -0.070 1.00 55.22 H new ATOM 0 HD23 LEU A 49 1.176 -3.552 -1.836 1.00 55.22 H new ATOM 685 N VAL A 50 -3.168 -1.996 -3.622 1.00 51.22 N ATOM 686 CA VAL A 50 -3.512 -1.246 -4.806 1.00 72.51 C ATOM 687 C VAL A 50 -3.966 0.164 -4.436 1.00 12.14 C ATOM 688 O VAL A 50 -4.753 0.358 -3.492 1.00 42.34 O ATOM 689 CB VAL A 50 -4.590 -1.994 -5.671 1.00 74.12 C ATOM 690 CG1 VAL A 50 -5.879 -2.245 -4.897 1.00 71.22 C ATOM 691 CG2 VAL A 50 -4.877 -1.257 -6.978 1.00 40.13 C ATOM 0 H VAL A 50 -3.949 -2.158 -2.986 1.00 51.22 H new ATOM 0 HA VAL A 50 -2.617 -1.159 -5.422 1.00 72.51 H new ATOM 0 HB VAL A 50 -4.164 -2.966 -5.919 1.00 74.12 H new ATOM 0 HG11 VAL A 50 -6.592 -2.764 -5.537 1.00 71.22 H new ATOM 0 HG12 VAL A 50 -5.664 -2.858 -4.021 1.00 71.22 H new ATOM 0 HG13 VAL A 50 -6.303 -1.293 -4.578 1.00 71.22 H new ATOM 0 HG21 VAL A 50 -5.627 -1.805 -7.548 1.00 40.13 H new ATOM 0 HG22 VAL A 50 -5.249 -0.256 -6.757 1.00 40.13 H new ATOM 0 HG23 VAL A 50 -3.960 -1.183 -7.563 1.00 40.13 H new ATOM 701 N VAL A 51 -3.447 1.138 -5.142 1.00 15.14 N ATOM 702 CA VAL A 51 -3.791 2.515 -4.908 1.00 20.31 C ATOM 703 C VAL A 51 -5.139 2.770 -5.558 1.00 30.31 C ATOM 704 O VAL A 51 -5.287 2.619 -6.775 1.00 33.10 O ATOM 705 CB VAL A 51 -2.732 3.475 -5.512 1.00 33.05 C ATOM 706 CG1 VAL A 51 -2.953 4.900 -5.039 1.00 0.15 C ATOM 707 CG2 VAL A 51 -1.307 3.016 -5.211 1.00 32.34 C ATOM 0 H VAL A 51 -2.774 0.996 -5.895 1.00 15.14 H new ATOM 0 HA VAL A 51 -3.828 2.702 -3.835 1.00 20.31 H new ATOM 0 HB VAL A 51 -2.859 3.451 -6.594 1.00 33.05 H new ATOM 0 HG11 VAL A 51 -2.197 5.551 -5.478 1.00 0.15 H new ATOM 0 HG12 VAL A 51 -3.943 5.236 -5.347 1.00 0.15 H new ATOM 0 HG13 VAL A 51 -2.878 4.938 -3.952 1.00 0.15 H new ATOM 0 HG21 VAL A 51 -0.598 3.717 -5.652 1.00 32.34 H new ATOM 0 HG22 VAL A 51 -1.157 2.979 -4.132 1.00 32.34 H new ATOM 0 HG23 VAL A 51 -1.147 2.024 -5.634 1.00 32.34 H new ATOM 717 N LYS A 52 -6.108 3.135 -4.759 1.00 73.02 N ATOM 718 CA LYS A 52 -7.461 3.331 -5.237 1.00 24.12 C ATOM 719 C LYS A 52 -7.667 4.757 -5.656 1.00 73.15 C ATOM 720 O LYS A 52 -8.455 5.048 -6.560 1.00 64.40 O ATOM 721 CB LYS A 52 -8.470 2.948 -4.156 1.00 33.50 C ATOM 722 CG LYS A 52 -8.349 1.505 -3.681 1.00 74.11 C ATOM 723 CD LYS A 52 -8.702 0.481 -4.761 1.00 74.23 C ATOM 724 CE LYS A 52 -10.185 0.513 -5.100 1.00 34.34 C ATOM 725 NZ LYS A 52 -10.557 -0.529 -6.078 1.00 14.31 N ATOM 0 H LYS A 52 -5.987 3.306 -3.761 1.00 73.02 H new ATOM 0 HA LYS A 52 -7.617 2.687 -6.103 1.00 24.12 H new ATOM 0 HB2 LYS A 52 -8.343 3.613 -3.302 1.00 33.50 H new ATOM 0 HB3 LYS A 52 -9.477 3.111 -4.539 1.00 33.50 H new ATOM 0 HG2 LYS A 52 -7.329 1.326 -3.340 1.00 74.11 H new ATOM 0 HG3 LYS A 52 -9.003 1.357 -2.822 1.00 74.11 H new ATOM 0 HD2 LYS A 52 -8.118 0.683 -5.659 1.00 74.23 H new ATOM 0 HD3 LYS A 52 -8.428 -0.517 -4.420 1.00 74.23 H new ATOM 0 HE2 LYS A 52 -10.767 0.378 -4.188 1.00 34.34 H new ATOM 0 HE3 LYS A 52 -10.443 1.493 -5.500 1.00 34.34 H new ATOM 0 HZ1 LYS A 52 -11.576 -0.469 -6.279 1.00 14.31 H new ATOM 0 HZ2 LYS A 52 -10.022 -0.386 -6.958 1.00 14.31 H new ATOM 0 HZ3 LYS A 52 -10.336 -1.467 -5.687 1.00 14.31 H new ATOM 739 N ARG A 53 -6.976 5.650 -5.006 1.00 74.54 N ATOM 740 CA ARG A 53 -7.114 7.047 -5.307 1.00 72.43 C ATOM 741 C ARG A 53 -5.758 7.691 -5.174 1.00 3.41 C ATOM 742 O ARG A 53 -4.965 7.265 -4.340 1.00 21.03 O ATOM 743 CB ARG A 53 -8.107 7.702 -4.332 1.00 34.53 C ATOM 744 CG ARG A 53 -8.584 9.086 -4.753 1.00 33.23 C ATOM 745 CD ARG A 53 -9.432 9.004 -6.014 1.00 3.35 C ATOM 746 NE ARG A 53 -9.916 10.312 -6.462 1.00 35.42 N ATOM 747 CZ ARG A 53 -10.360 10.583 -7.697 1.00 24.10 C ATOM 748 NH1 ARG A 53 -10.297 9.658 -8.653 1.00 35.51 N ATOM 749 NH2 ARG A 53 -10.836 11.792 -7.983 1.00 61.41 N ATOM 0 H ARG A 53 -6.311 5.435 -4.263 1.00 74.54 H new ATOM 0 HA ARG A 53 -7.495 7.177 -6.320 1.00 72.43 H new ATOM 0 HB2 ARG A 53 -8.974 7.050 -4.223 1.00 34.53 H new ATOM 0 HB3 ARG A 53 -7.638 7.776 -3.351 1.00 34.53 H new ATOM 0 HG2 ARG A 53 -9.164 9.536 -3.948 1.00 33.23 H new ATOM 0 HG3 ARG A 53 -7.725 9.734 -4.928 1.00 33.23 H new ATOM 0 HD2 ARG A 53 -8.846 8.547 -6.811 1.00 3.35 H new ATOM 0 HD3 ARG A 53 -10.285 8.350 -5.830 1.00 3.35 H new ATOM 0 HE ARG A 53 -9.915 11.073 -5.783 1.00 35.42 H new ATOM 0 HH11 ARG A 53 -9.909 8.737 -8.447 1.00 35.51 H new ATOM 0 HH12 ARG A 53 -10.637 9.870 -9.591 1.00 35.51 H new ATOM 0 HH21 ARG A 53 -10.863 12.513 -7.262 1.00 61.41 H new ATOM 0 HH22 ARG A 53 -11.174 11.998 -8.923 1.00 61.41 H new ATOM 763 N GLY A 54 -5.480 8.669 -5.991 1.00 14.23 N ATOM 764 CA GLY A 54 -4.233 9.374 -5.914 1.00 22.44 C ATOM 765 C GLY A 54 -3.520 9.370 -7.239 1.00 42.15 C ATOM 766 O GLY A 54 -4.005 8.767 -8.182 1.00 13.22 O ATOM 0 H GLY A 54 -6.108 8.998 -6.724 1.00 14.23 H new ATOM 0 HA2 GLY A 54 -4.413 10.402 -5.598 1.00 22.44 H new ATOM 0 HA3 GLY A 54 -3.599 8.914 -5.156 1.00 22.44 H new ATOM 770 N PRO A 55 -2.357 10.019 -7.348 1.00 22.33 N ATOM 771 CA PRO A 55 -1.591 10.076 -8.608 1.00 20.22 C ATOM 772 C PRO A 55 -1.155 8.685 -9.088 1.00 73.53 C ATOM 773 O PRO A 55 -1.045 8.435 -10.282 1.00 34.44 O ATOM 774 CB PRO A 55 -0.376 10.934 -8.240 1.00 71.24 C ATOM 775 CG PRO A 55 -0.838 11.727 -7.067 1.00 42.33 C ATOM 776 CD PRO A 55 -1.704 10.797 -6.285 1.00 11.10 C ATOM 0 HA PRO A 55 -2.179 10.482 -9.431 1.00 20.22 H new ATOM 0 HB2 PRO A 55 0.487 10.317 -7.990 1.00 71.24 H new ATOM 0 HB3 PRO A 55 -0.078 11.580 -9.066 1.00 71.24 H new ATOM 0 HG2 PRO A 55 0.005 12.076 -6.471 1.00 42.33 H new ATOM 0 HG3 PRO A 55 -1.393 12.611 -7.382 1.00 42.33 H new ATOM 0 HD2 PRO A 55 -1.122 10.164 -5.615 1.00 11.10 H new ATOM 0 HD3 PRO A 55 -2.426 11.333 -5.669 1.00 11.10 H new ATOM 784 N ASN A 56 -0.914 7.782 -8.148 1.00 25.51 N ATOM 785 CA ASN A 56 -0.554 6.409 -8.492 1.00 12.14 C ATOM 786 C ASN A 56 -1.761 5.474 -8.452 1.00 45.42 C ATOM 787 O ASN A 56 -1.604 4.266 -8.349 1.00 14.53 O ATOM 788 CB ASN A 56 0.577 5.879 -7.588 1.00 5.22 C ATOM 789 CG ASN A 56 1.941 6.416 -7.983 1.00 54.13 C ATOM 790 OD1 ASN A 56 2.638 5.817 -8.794 1.00 22.31 O ATOM 791 ND2 ASN A 56 2.336 7.529 -7.418 1.00 4.11 N ATOM 0 H ASN A 56 -0.960 7.971 -7.147 1.00 25.51 H new ATOM 0 HA ASN A 56 -0.187 6.428 -9.518 1.00 12.14 H new ATOM 0 HB2 ASN A 56 0.369 6.153 -6.554 1.00 5.22 H new ATOM 0 HB3 ASN A 56 0.593 4.790 -7.633 1.00 5.22 H new ATOM 0 HD21 ASN A 56 3.248 7.922 -7.649 1.00 4.11 H new ATOM 0 HD22 ASN A 56 1.731 8.003 -6.747 1.00 4.11 H new ATOM 798 N ALA A 57 -2.968 6.028 -8.557 1.00 42.32 N ATOM 799 CA ALA A 57 -4.189 5.216 -8.549 1.00 15.34 C ATOM 800 C ALA A 57 -4.196 4.242 -9.716 1.00 54.12 C ATOM 801 O ALA A 57 -3.943 4.629 -10.870 1.00 25.21 O ATOM 802 CB ALA A 57 -5.427 6.089 -8.593 1.00 0.11 C ATOM 0 H ALA A 57 -3.129 7.031 -8.648 1.00 42.32 H new ATOM 0 HA ALA A 57 -4.202 4.649 -7.618 1.00 15.34 H new ATOM 0 HB1 ALA A 57 -6.317 5.459 -8.586 1.00 0.11 H new ATOM 0 HB2 ALA A 57 -5.440 6.746 -7.723 1.00 0.11 H new ATOM 0 HB3 ALA A 57 -5.416 6.691 -9.502 1.00 0.11 H new ATOM 808 N GLY A 58 -4.461 3.001 -9.421 1.00 13.40 N ATOM 809 CA GLY A 58 -4.457 1.981 -10.431 1.00 62.41 C ATOM 810 C GLY A 58 -3.214 1.129 -10.350 1.00 65.12 C ATOM 811 O GLY A 58 -3.128 0.065 -10.983 1.00 35.34 O ATOM 0 H GLY A 58 -4.684 2.670 -8.482 1.00 13.40 H new ATOM 0 HA2 GLY A 58 -5.339 1.351 -10.317 1.00 62.41 H new ATOM 0 HA3 GLY A 58 -4.520 2.443 -11.416 1.00 62.41 H new ATOM 815 N ALA A 59 -2.243 1.589 -9.594 1.00 25.22 N ATOM 816 CA ALA A 59 -1.019 0.853 -9.417 1.00 4.21 C ATOM 817 C ALA A 59 -1.134 -0.070 -8.233 1.00 34.33 C ATOM 818 O ALA A 59 -1.798 0.253 -7.241 1.00 25.23 O ATOM 819 CB ALA A 59 0.154 1.791 -9.231 1.00 3.35 C ATOM 0 H ALA A 59 -2.281 2.475 -9.090 1.00 25.22 H new ATOM 0 HA ALA A 59 -0.846 0.261 -10.316 1.00 4.21 H new ATOM 0 HB1 ALA A 59 1.067 1.210 -9.099 1.00 3.35 H new ATOM 0 HB2 ALA A 59 0.253 2.428 -10.110 1.00 3.35 H new ATOM 0 HB3 ALA A 59 -0.012 2.411 -8.350 1.00 3.35 H new ATOM 825 N ARG A 60 -0.513 -1.202 -8.339 1.00 14.21 N ATOM 826 CA ARG A 60 -0.484 -2.164 -7.280 1.00 45.00 C ATOM 827 C ARG A 60 0.953 -2.493 -6.988 1.00 30.21 C ATOM 828 O ARG A 60 1.802 -2.421 -7.882 1.00 30.54 O ATOM 829 CB ARG A 60 -1.293 -3.427 -7.632 1.00 70.33 C ATOM 830 CG ARG A 60 -0.844 -4.134 -8.905 1.00 33.44 C ATOM 831 CD ARG A 60 -1.673 -5.379 -9.187 1.00 13.12 C ATOM 832 NE ARG A 60 -3.110 -5.076 -9.303 1.00 0.34 N ATOM 833 CZ ARG A 60 -3.876 -5.321 -10.377 1.00 4.53 C ATOM 834 NH1 ARG A 60 -3.358 -5.876 -11.469 1.00 35.11 N ATOM 835 NH2 ARG A 60 -5.160 -5.023 -10.345 1.00 15.35 N ATOM 0 H ARG A 60 -0.004 -1.489 -9.175 1.00 14.21 H new ATOM 0 HA ARG A 60 -0.955 -1.744 -6.392 1.00 45.00 H new ATOM 0 HB2 ARG A 60 -1.227 -4.128 -6.800 1.00 70.33 H new ATOM 0 HB3 ARG A 60 -2.343 -3.153 -7.735 1.00 70.33 H new ATOM 0 HG2 ARG A 60 -0.922 -3.448 -9.748 1.00 33.44 H new ATOM 0 HG3 ARG A 60 0.207 -4.410 -8.815 1.00 33.44 H new ATOM 0 HD2 ARG A 60 -1.326 -5.843 -10.110 1.00 13.12 H new ATOM 0 HD3 ARG A 60 -1.520 -6.104 -8.388 1.00 13.12 H new ATOM 0 HE ARG A 60 -3.561 -4.643 -8.498 1.00 0.34 H new ATOM 0 HH11 ARG A 60 -2.368 -6.120 -11.496 1.00 35.11 H new ATOM 0 HH12 ARG A 60 -3.951 -6.057 -12.279 1.00 35.11 H new ATOM 0 HH21 ARG A 60 -5.567 -4.608 -9.506 1.00 15.35 H new ATOM 0 HH22 ARG A 60 -5.747 -5.207 -11.159 1.00 15.35 H new ATOM 849 N PHE A 61 1.241 -2.779 -5.767 1.00 53.13 N ATOM 850 CA PHE A 61 2.578 -3.112 -5.348 1.00 55.14 C ATOM 851 C PHE A 61 2.502 -4.377 -4.531 1.00 35.11 C ATOM 852 O PHE A 61 1.528 -4.572 -3.808 1.00 51.21 O ATOM 853 CB PHE A 61 3.170 -1.975 -4.504 1.00 4.24 C ATOM 854 CG PHE A 61 3.204 -0.625 -5.186 1.00 62.23 C ATOM 855 CD1 PHE A 61 4.177 -0.330 -6.126 1.00 15.11 C ATOM 856 CD2 PHE A 61 2.259 0.346 -4.883 1.00 54.24 C ATOM 857 CE1 PHE A 61 4.209 0.904 -6.752 1.00 64.04 C ATOM 858 CE2 PHE A 61 2.285 1.580 -5.504 1.00 4.11 C ATOM 859 CZ PHE A 61 3.262 1.860 -6.439 1.00 52.45 C ATOM 0 H PHE A 61 0.554 -2.791 -5.013 1.00 53.13 H new ATOM 0 HA PHE A 61 3.221 -3.256 -6.216 1.00 55.14 H new ATOM 0 HB2 PHE A 61 2.592 -1.886 -3.584 1.00 4.24 H new ATOM 0 HB3 PHE A 61 4.186 -2.246 -4.217 1.00 4.24 H new ATOM 0 HD1 PHE A 61 4.921 -1.073 -6.374 1.00 15.11 H new ATOM 0 HD2 PHE A 61 1.493 0.134 -4.152 1.00 54.24 H new ATOM 0 HE1 PHE A 61 4.973 1.119 -7.484 1.00 64.04 H new ATOM 0 HE2 PHE A 61 1.542 2.325 -5.259 1.00 4.11 H new ATOM 0 HZ PHE A 61 3.286 2.824 -6.925 1.00 52.45 H new ATOM 869 N LEU A 62 3.494 -5.221 -4.632 1.00 42.32 N ATOM 870 CA LEU A 62 3.472 -6.492 -3.928 1.00 73.04 C ATOM 871 C LEU A 62 4.519 -6.520 -2.831 1.00 64.54 C ATOM 872 O LEU A 62 5.674 -6.130 -3.048 1.00 45.41 O ATOM 873 CB LEU A 62 3.630 -7.726 -4.874 1.00 24.31 C ATOM 874 CG LEU A 62 4.943 -7.882 -5.689 1.00 73.21 C ATOM 875 CD1 LEU A 62 5.056 -9.305 -6.214 1.00 44.13 C ATOM 876 CD2 LEU A 62 4.989 -6.919 -6.875 1.00 62.43 C ATOM 0 H LEU A 62 4.331 -5.059 -5.193 1.00 42.32 H new ATOM 0 HA LEU A 62 2.482 -6.574 -3.478 1.00 73.04 H new ATOM 0 HB2 LEU A 62 3.509 -8.624 -4.268 1.00 24.31 H new ATOM 0 HB3 LEU A 62 2.802 -7.706 -5.583 1.00 24.31 H new ATOM 0 HG LEU A 62 5.773 -7.652 -5.021 1.00 73.21 H new ATOM 0 HD11 LEU A 62 5.978 -9.410 -6.785 1.00 44.13 H new ATOM 0 HD12 LEU A 62 5.067 -10.002 -5.376 1.00 44.13 H new ATOM 0 HD13 LEU A 62 4.204 -9.524 -6.858 1.00 44.13 H new ATOM 0 HD21 LEU A 62 5.922 -7.058 -7.421 1.00 62.43 H new ATOM 0 HD22 LEU A 62 4.148 -7.119 -7.539 1.00 62.43 H new ATOM 0 HD23 LEU A 62 4.930 -5.893 -6.513 1.00 62.43 H new ATOM 888 N LEU A 63 4.124 -6.978 -1.668 1.00 64.52 N ATOM 889 CA LEU A 63 5.018 -7.032 -0.536 1.00 52.43 C ATOM 890 C LEU A 63 5.672 -8.400 -0.472 1.00 0.33 C ATOM 891 O LEU A 63 5.027 -9.400 -0.115 1.00 54.13 O ATOM 892 CB LEU A 63 4.259 -6.739 0.770 1.00 32.32 C ATOM 893 CG LEU A 63 3.540 -5.383 0.850 1.00 70.23 C ATOM 894 CD1 LEU A 63 2.824 -5.231 2.181 1.00 12.51 C ATOM 895 CD2 LEU A 63 4.518 -4.237 0.647 1.00 42.41 C ATOM 0 H LEU A 63 3.182 -7.321 -1.480 1.00 64.52 H new ATOM 0 HA LEU A 63 5.789 -6.271 -0.657 1.00 52.43 H new ATOM 0 HB2 LEU A 63 3.521 -7.527 0.921 1.00 32.32 H new ATOM 0 HB3 LEU A 63 4.966 -6.801 1.598 1.00 32.32 H new ATOM 0 HG LEU A 63 2.800 -5.350 0.051 1.00 70.23 H new ATOM 0 HD11 LEU A 63 2.322 -4.264 2.216 1.00 12.51 H new ATOM 0 HD12 LEU A 63 2.087 -6.027 2.291 1.00 12.51 H new ATOM 0 HD13 LEU A 63 3.548 -5.293 2.993 1.00 12.51 H new ATOM 0 HD21 LEU A 63 3.985 -3.288 0.708 1.00 42.41 H new ATOM 0 HD22 LEU A 63 5.285 -4.272 1.420 1.00 42.41 H new ATOM 0 HD23 LEU A 63 4.986 -4.327 -0.333 1.00 42.41 H new ATOM 907 N ASP A 64 6.926 -8.458 -0.854 1.00 32.41 N ATOM 908 CA ASP A 64 7.677 -9.713 -0.858 1.00 14.44 C ATOM 909 C ASP A 64 8.911 -9.609 0.033 1.00 50.43 C ATOM 910 O ASP A 64 9.518 -10.612 0.426 1.00 2.12 O ATOM 911 CB ASP A 64 8.088 -10.091 -2.293 1.00 30.10 C ATOM 912 CG ASP A 64 8.879 -11.384 -2.355 1.00 52.33 C ATOM 913 OD1 ASP A 64 8.268 -12.475 -2.277 1.00 52.13 O ATOM 914 OD2 ASP A 64 10.122 -11.331 -2.460 1.00 34.43 O ATOM 0 H ASP A 64 7.460 -7.649 -1.170 1.00 32.41 H new ATOM 0 HA ASP A 64 7.031 -10.496 -0.461 1.00 14.44 H new ATOM 0 HB2 ASP A 64 7.194 -10.187 -2.909 1.00 30.10 H new ATOM 0 HB3 ASP A 64 8.684 -9.285 -2.720 1.00 30.10 H new ATOM 919 N GLN A 65 9.223 -8.419 0.420 1.00 53.52 N ATOM 920 CA GLN A 65 10.404 -8.156 1.174 1.00 72.15 C ATOM 921 C GLN A 65 10.060 -7.849 2.613 1.00 25.15 C ATOM 922 O GLN A 65 9.032 -7.238 2.879 1.00 61.45 O ATOM 923 CB GLN A 65 11.254 -7.008 0.555 1.00 22.22 C ATOM 924 CG GLN A 65 10.588 -5.620 0.377 1.00 53.50 C ATOM 925 CD GLN A 65 9.605 -5.467 -0.807 1.00 70.34 C ATOM 926 OE1 GLN A 65 8.916 -6.394 -1.222 1.00 45.15 O ATOM 927 NE2 GLN A 65 9.577 -4.299 -1.370 1.00 52.41 N ATOM 0 H GLN A 65 8.660 -7.592 0.220 1.00 53.52 H new ATOM 0 HA GLN A 65 11.013 -9.059 1.143 1.00 72.15 H new ATOM 0 HB2 GLN A 65 12.139 -6.876 1.177 1.00 22.22 H new ATOM 0 HB3 GLN A 65 11.600 -7.340 -0.424 1.00 22.22 H new ATOM 0 HG2 GLN A 65 10.054 -5.379 1.296 1.00 53.50 H new ATOM 0 HG3 GLN A 65 11.377 -4.876 0.262 1.00 53.50 H new ATOM 0 HE21 GLN A 65 10.159 -3.544 -1.007 1.00 52.41 H new ATOM 0 HE22 GLN A 65 8.973 -4.136 -2.176 1.00 52.41 H new ATOM 936 N PRO A 66 10.930 -8.280 3.568 1.00 0.42 N ATOM 937 CA PRO A 66 10.718 -8.090 5.018 1.00 0.11 C ATOM 938 C PRO A 66 10.443 -6.641 5.406 1.00 24.12 C ATOM 939 O PRO A 66 9.753 -6.365 6.389 1.00 60.12 O ATOM 940 CB PRO A 66 12.043 -8.551 5.636 1.00 21.41 C ATOM 941 CG PRO A 66 12.582 -9.528 4.663 1.00 5.21 C ATOM 942 CD PRO A 66 12.193 -9.011 3.308 1.00 74.13 C ATOM 0 HA PRO A 66 9.842 -8.641 5.361 1.00 0.11 H new ATOM 0 HB2 PRO A 66 12.727 -7.714 5.780 1.00 21.41 H new ATOM 0 HB3 PRO A 66 11.888 -9.008 6.614 1.00 21.41 H new ATOM 0 HG2 PRO A 66 13.665 -9.613 4.753 1.00 5.21 H new ATOM 0 HG3 PRO A 66 12.169 -10.522 4.836 1.00 5.21 H new ATOM 0 HD2 PRO A 66 12.959 -8.355 2.893 1.00 74.13 H new ATOM 0 HD3 PRO A 66 12.048 -9.822 2.595 1.00 74.13 H new ATOM 950 N THR A 67 10.976 -5.712 4.658 1.00 15.11 N ATOM 951 CA THR A 67 10.743 -4.328 4.950 1.00 74.21 C ATOM 952 C THR A 67 10.554 -3.557 3.659 1.00 63.52 C ATOM 953 O THR A 67 11.416 -3.561 2.790 1.00 15.14 O ATOM 954 CB THR A 67 11.914 -3.713 5.740 1.00 12.40 C ATOM 955 OG1 THR A 67 12.250 -4.561 6.854 1.00 20.31 O ATOM 956 CG2 THR A 67 11.536 -2.330 6.271 1.00 2.40 C ATOM 0 H THR A 67 11.570 -5.889 3.848 1.00 15.11 H new ATOM 0 HA THR A 67 9.843 -4.263 5.562 1.00 74.21 H new ATOM 0 HB THR A 67 12.768 -3.621 5.069 1.00 12.40 H new ATOM 0 HG1 THR A 67 12.996 -4.166 7.352 1.00 20.31 H new ATOM 0 HG21 THR A 67 12.375 -1.912 6.826 1.00 2.40 H new ATOM 0 HG22 THR A 67 11.290 -1.674 5.436 1.00 2.40 H new ATOM 0 HG23 THR A 67 10.672 -2.417 6.930 1.00 2.40 H new ATOM 964 N THR A 68 9.440 -2.927 3.543 1.00 62.31 N ATOM 965 CA THR A 68 9.123 -2.139 2.397 1.00 11.23 C ATOM 966 C THR A 68 8.940 -0.694 2.876 1.00 62.31 C ATOM 967 O THR A 68 8.405 -0.477 3.945 1.00 25.14 O ATOM 968 CB THR A 68 7.817 -2.654 1.779 1.00 44.12 C ATOM 969 OG1 THR A 68 7.872 -4.090 1.705 1.00 50.41 O ATOM 970 CG2 THR A 68 7.638 -2.100 0.383 1.00 63.30 C ATOM 0 H THR A 68 8.707 -2.942 4.252 1.00 62.31 H new ATOM 0 HA THR A 68 9.911 -2.196 1.646 1.00 11.23 H new ATOM 0 HB THR A 68 6.980 -2.333 2.399 1.00 44.12 H new ATOM 0 HG1 THR A 68 7.479 -4.389 0.859 1.00 50.41 H new ATOM 0 HG21 THR A 68 6.707 -2.475 -0.041 1.00 63.30 H new ATOM 0 HG22 THR A 68 7.605 -1.011 0.425 1.00 63.30 H new ATOM 0 HG23 THR A 68 8.474 -2.413 -0.243 1.00 63.30 H new ATOM 978 N THR A 69 9.415 0.271 2.148 1.00 20.11 N ATOM 979 CA THR A 69 9.281 1.643 2.580 1.00 2.23 C ATOM 980 C THR A 69 8.389 2.423 1.602 1.00 42.22 C ATOM 981 O THR A 69 8.427 2.181 0.376 1.00 65.35 O ATOM 982 CB THR A 69 10.671 2.306 2.727 1.00 43.15 C ATOM 983 OG1 THR A 69 11.502 1.438 3.519 1.00 51.24 O ATOM 984 CG2 THR A 69 10.557 3.646 3.443 1.00 63.23 C ATOM 0 H THR A 69 9.896 0.143 1.258 1.00 20.11 H new ATOM 0 HA THR A 69 8.803 1.659 3.559 1.00 2.23 H new ATOM 0 HB THR A 69 11.095 2.469 1.736 1.00 43.15 H new ATOM 0 HG1 THR A 69 12.390 1.840 3.623 1.00 51.24 H new ATOM 0 HG21 THR A 69 11.546 4.094 3.535 1.00 63.23 H new ATOM 0 HG22 THR A 69 9.909 4.310 2.871 1.00 63.23 H new ATOM 0 HG23 THR A 69 10.134 3.493 4.436 1.00 63.23 H new ATOM 992 N ALA A 70 7.568 3.308 2.143 1.00 52.53 N ATOM 993 CA ALA A 70 6.658 4.097 1.365 1.00 41.11 C ATOM 994 C ALA A 70 6.949 5.577 1.534 1.00 72.41 C ATOM 995 O ALA A 70 7.172 6.070 2.668 1.00 74.44 O ATOM 996 CB ALA A 70 5.231 3.795 1.774 1.00 51.34 C ATOM 0 H ALA A 70 7.522 3.493 3.145 1.00 52.53 H new ATOM 0 HA ALA A 70 6.790 3.840 0.314 1.00 41.11 H new ATOM 0 HB1 ALA A 70 4.546 4.399 1.178 1.00 51.34 H new ATOM 0 HB2 ALA A 70 5.021 2.738 1.609 1.00 51.34 H new ATOM 0 HB3 ALA A 70 5.098 4.031 2.830 1.00 51.34 H new ATOM 1002 N GLY A 71 6.947 6.270 0.436 1.00 50.21 N ATOM 1003 CA GLY A 71 7.197 7.675 0.427 1.00 70.30 C ATOM 1004 C GLY A 71 7.860 8.060 -0.857 1.00 3.40 C ATOM 1005 O GLY A 71 7.541 7.487 -1.914 1.00 0.41 O ATOM 0 H GLY A 71 6.770 5.871 -0.486 1.00 50.21 H new ATOM 0 HA2 GLY A 71 6.261 8.222 0.542 1.00 70.30 H new ATOM 0 HA3 GLY A 71 7.831 7.947 1.271 1.00 70.30 H new ATOM 1009 N ARG A 72 8.745 9.015 -0.790 1.00 33.13 N ATOM 1010 CA ARG A 72 9.502 9.429 -1.939 1.00 32.45 C ATOM 1011 C ARG A 72 10.991 9.232 -1.671 1.00 4.13 C ATOM 1012 O ARG A 72 11.554 9.884 -0.765 1.00 51.05 O ATOM 1013 CB ARG A 72 9.241 10.911 -2.224 1.00 22.22 C ATOM 1014 CG ARG A 72 10.046 11.473 -3.379 1.00 31.42 C ATOM 1015 CD ARG A 72 10.036 12.989 -3.348 1.00 32.02 C ATOM 1016 NE ARG A 72 10.858 13.568 -4.412 1.00 3.25 N ATOM 1017 CZ ARG A 72 12.140 13.965 -4.277 1.00 65.10 C ATOM 1018 NH1 ARG A 72 12.818 13.703 -3.169 1.00 60.22 N ATOM 1019 NH2 ARG A 72 12.747 14.582 -5.267 1.00 62.24 N ATOM 0 H ARG A 72 8.962 9.529 0.064 1.00 33.13 H new ATOM 0 HA ARG A 72 9.199 8.830 -2.798 1.00 32.45 H new ATOM 0 HB2 ARG A 72 8.180 11.048 -2.435 1.00 22.22 H new ATOM 0 HB3 ARG A 72 9.464 11.487 -1.326 1.00 22.22 H new ATOM 0 HG2 ARG A 72 11.072 11.109 -3.325 1.00 31.42 H new ATOM 0 HG3 ARG A 72 9.632 11.120 -4.324 1.00 31.42 H new ATOM 0 HD2 ARG A 72 9.011 13.346 -3.448 1.00 32.02 H new ATOM 0 HD3 ARG A 72 10.401 13.334 -2.381 1.00 32.02 H new ATOM 0 HE ARG A 72 10.427 13.680 -5.329 1.00 3.25 H new ATOM 0 HH11 ARG A 72 12.371 13.195 -2.405 1.00 60.22 H new ATOM 0 HH12 ARG A 72 13.787 14.009 -3.080 1.00 60.22 H new ATOM 0 HH21 ARG A 72 12.248 14.761 -6.139 1.00 62.24 H new ATOM 0 HH22 ARG A 72 13.716 14.882 -5.163 1.00 62.24 H new ATOM 1033 N HIS A 73 11.607 8.389 -2.470 1.00 33.21 N ATOM 1034 CA HIS A 73 13.039 8.098 -2.500 1.00 3.14 C ATOM 1035 C HIS A 73 13.251 6.877 -3.405 1.00 61.12 C ATOM 1036 O HIS A 73 12.277 6.179 -3.721 1.00 44.15 O ATOM 1037 CB HIS A 73 13.718 7.928 -1.082 1.00 73.23 C ATOM 1038 CG HIS A 73 13.186 6.870 -0.143 1.00 52.34 C ATOM 1039 ND1 HIS A 73 13.858 5.706 0.166 1.00 34.00 N ATOM 1040 CD2 HIS A 73 12.073 6.868 0.627 1.00 71.53 C ATOM 1041 CE1 HIS A 73 13.145 5.050 1.086 1.00 22.21 C ATOM 1042 NE2 HIS A 73 12.049 5.716 1.399 1.00 12.30 N ATOM 0 H HIS A 73 11.094 7.848 -3.166 1.00 33.21 H new ATOM 0 HA HIS A 73 13.550 8.971 -2.906 1.00 3.14 H new ATOM 0 HB2 HIS A 73 14.776 7.723 -1.245 1.00 73.23 H new ATOM 0 HB3 HIS A 73 13.655 8.887 -0.568 1.00 73.23 H new ATOM 0 HD1 HIS A 73 14.744 5.400 -0.237 1.00 34.00 H new ATOM 0 HD2 HIS A 73 11.321 7.643 0.639 1.00 71.53 H new ATOM 0 HE1 HIS A 73 13.428 4.101 1.517 1.00 22.21 H new ATOM 1050 N PRO A 74 14.486 6.604 -3.882 1.00 44.12 N ATOM 1051 CA PRO A 74 14.746 5.472 -4.784 1.00 23.01 C ATOM 1052 C PRO A 74 14.441 4.114 -4.145 1.00 43.24 C ATOM 1053 O PRO A 74 14.126 3.141 -4.840 1.00 44.21 O ATOM 1054 CB PRO A 74 16.240 5.588 -5.094 1.00 3.12 C ATOM 1055 CG PRO A 74 16.581 7.002 -4.789 1.00 11.11 C ATOM 1056 CD PRO A 74 15.713 7.385 -3.635 1.00 34.45 C ATOM 0 HA PRO A 74 14.107 5.516 -5.666 1.00 23.01 H new ATOM 0 HB2 PRO A 74 16.825 4.899 -4.485 1.00 3.12 H new ATOM 0 HB3 PRO A 74 16.448 5.347 -6.136 1.00 3.12 H new ATOM 0 HG2 PRO A 74 17.636 7.105 -4.537 1.00 11.11 H new ATOM 0 HG3 PRO A 74 16.395 7.644 -5.650 1.00 11.11 H new ATOM 0 HD2 PRO A 74 16.172 7.128 -2.680 1.00 34.45 H new ATOM 0 HD3 PRO A 74 15.514 8.457 -3.615 1.00 34.45 H new ATOM 1064 N GLU A 75 14.504 4.052 -2.834 1.00 43.22 N ATOM 1065 CA GLU A 75 14.267 2.805 -2.128 1.00 62.00 C ATOM 1066 C GLU A 75 12.782 2.595 -1.848 1.00 3.14 C ATOM 1067 O GLU A 75 12.402 1.563 -1.318 1.00 21.15 O ATOM 1068 CB GLU A 75 15.053 2.709 -0.800 1.00 64.52 C ATOM 1069 CG GLU A 75 16.572 2.861 -0.895 1.00 20.45 C ATOM 1070 CD GLU A 75 17.003 4.254 -1.282 1.00 53.34 C ATOM 1071 OE1 GLU A 75 16.394 5.233 -0.775 1.00 44.10 O ATOM 1072 OE2 GLU A 75 17.926 4.403 -2.112 1.00 12.31 O ATOM 0 H GLU A 75 14.717 4.848 -2.232 1.00 43.22 H new ATOM 0 HA GLU A 75 14.627 2.019 -2.792 1.00 62.00 H new ATOM 0 HB2 GLU A 75 14.675 3.475 -0.123 1.00 64.52 H new ATOM 0 HB3 GLU A 75 14.834 1.744 -0.343 1.00 64.52 H new ATOM 0 HG2 GLU A 75 17.018 2.602 0.065 1.00 20.45 H new ATOM 0 HG3 GLU A 75 16.957 2.151 -1.627 1.00 20.45 H new ATOM 1079 N SER A 76 11.946 3.575 -2.174 1.00 40.13 N ATOM 1080 CA SER A 76 10.519 3.428 -1.976 1.00 63.55 C ATOM 1081 C SER A 76 9.972 2.441 -2.983 1.00 60.32 C ATOM 1082 O SER A 76 9.918 2.740 -4.183 1.00 51.21 O ATOM 1083 CB SER A 76 9.805 4.757 -2.182 1.00 25.20 C ATOM 1084 OG SER A 76 10.403 5.770 -1.436 1.00 42.11 O ATOM 0 H SER A 76 12.233 4.469 -2.572 1.00 40.13 H new ATOM 0 HA SER A 76 10.351 3.079 -0.957 1.00 63.55 H new ATOM 0 HB2 SER A 76 9.822 5.022 -3.239 1.00 25.20 H new ATOM 0 HB3 SER A 76 8.758 4.659 -1.894 1.00 25.20 H new ATOM 0 HG SER A 76 9.805 6.036 -0.707 1.00 42.11 H new ATOM 1090 N ASP A 77 9.618 1.262 -2.531 1.00 11.11 N ATOM 1091 CA ASP A 77 8.991 0.301 -3.418 1.00 42.50 C ATOM 1092 C ASP A 77 7.549 0.721 -3.601 1.00 5.22 C ATOM 1093 O ASP A 77 6.962 0.573 -4.671 1.00 12.31 O ATOM 1094 CB ASP A 77 9.087 -1.121 -2.879 1.00 41.31 C ATOM 1095 CG ASP A 77 8.624 -2.158 -3.892 1.00 24.20 C ATOM 1096 OD1 ASP A 77 9.112 -2.144 -5.049 1.00 71.45 O ATOM 1097 OD2 ASP A 77 7.772 -2.993 -3.558 1.00 44.12 O ATOM 0 H ASP A 77 9.749 0.944 -1.571 1.00 11.11 H new ATOM 0 HA ASP A 77 9.510 0.293 -4.376 1.00 42.50 H new ATOM 0 HB2 ASP A 77 10.118 -1.330 -2.595 1.00 41.31 H new ATOM 0 HB3 ASP A 77 8.484 -1.206 -1.975 1.00 41.31 H new ATOM 1102 N ILE A 78 7.013 1.317 -2.550 1.00 42.03 N ATOM 1103 CA ILE A 78 5.696 1.900 -2.578 1.00 52.50 C ATOM 1104 C ILE A 78 5.923 3.401 -2.751 1.00 23.13 C ATOM 1105 O ILE A 78 6.309 4.086 -1.798 1.00 53.20 O ATOM 1106 CB ILE A 78 4.923 1.685 -1.239 1.00 43.22 C ATOM 1107 CG1 ILE A 78 5.092 0.251 -0.690 1.00 63.11 C ATOM 1108 CG2 ILE A 78 3.440 1.999 -1.426 1.00 44.32 C ATOM 1109 CD1 ILE A 78 4.589 -0.849 -1.598 1.00 62.01 C ATOM 0 H ILE A 78 7.487 1.407 -1.651 1.00 42.03 H new ATOM 0 HA ILE A 78 5.106 1.443 -3.372 1.00 52.50 H new ATOM 0 HB ILE A 78 5.352 2.370 -0.507 1.00 43.22 H new ATOM 0 HG12 ILE A 78 6.149 0.079 -0.488 1.00 63.11 H new ATOM 0 HG13 ILE A 78 4.569 0.180 0.264 1.00 63.11 H new ATOM 0 HG21 ILE A 78 2.914 1.845 -0.484 1.00 44.32 H new ATOM 0 HG22 ILE A 78 3.325 3.036 -1.740 1.00 44.32 H new ATOM 0 HG23 ILE A 78 3.022 1.340 -2.187 1.00 44.32 H new ATOM 0 HD11 ILE A 78 4.753 -1.816 -1.123 1.00 62.01 H new ATOM 0 HD12 ILE A 78 3.523 -0.711 -1.781 1.00 62.01 H new ATOM 0 HD13 ILE A 78 5.128 -0.814 -2.545 1.00 62.01 H new ATOM 1121 N PHE A 79 5.764 3.893 -3.948 1.00 54.11 N ATOM 1122 CA PHE A 79 6.054 5.285 -4.221 1.00 20.14 C ATOM 1123 C PHE A 79 4.773 6.104 -4.262 1.00 45.31 C ATOM 1124 O PHE A 79 3.890 5.853 -5.080 1.00 34.14 O ATOM 1125 CB PHE A 79 6.833 5.412 -5.543 1.00 52.20 C ATOM 1126 CG PHE A 79 7.316 6.806 -5.853 1.00 63.21 C ATOM 1127 CD1 PHE A 79 8.462 7.300 -5.251 1.00 3.43 C ATOM 1128 CD2 PHE A 79 6.631 7.615 -6.749 1.00 44.43 C ATOM 1129 CE1 PHE A 79 8.916 8.572 -5.534 1.00 53.03 C ATOM 1130 CE2 PHE A 79 7.082 8.890 -7.034 1.00 11.11 C ATOM 1131 CZ PHE A 79 8.226 9.369 -6.425 1.00 72.45 C ATOM 0 H PHE A 79 5.436 3.358 -4.752 1.00 54.11 H new ATOM 0 HA PHE A 79 6.674 5.678 -3.416 1.00 20.14 H new ATOM 0 HB2 PHE A 79 7.693 4.743 -5.509 1.00 52.20 H new ATOM 0 HB3 PHE A 79 6.196 5.072 -6.359 1.00 52.20 H new ATOM 0 HD1 PHE A 79 9.006 6.682 -4.552 1.00 3.43 H new ATOM 0 HD2 PHE A 79 5.737 7.245 -7.228 1.00 44.43 H new ATOM 0 HE1 PHE A 79 9.811 8.944 -5.058 1.00 53.03 H new ATOM 0 HE2 PHE A 79 6.541 9.511 -7.732 1.00 11.11 H new ATOM 0 HZ PHE A 79 8.580 10.365 -6.646 1.00 72.45 H new ATOM 1141 N LEU A 80 4.665 7.060 -3.367 1.00 12.23 N ATOM 1142 CA LEU A 80 3.522 7.946 -3.311 1.00 30.14 C ATOM 1143 C LEU A 80 4.032 9.361 -3.428 1.00 10.24 C ATOM 1144 O LEU A 80 4.863 9.790 -2.635 1.00 35.42 O ATOM 1145 CB LEU A 80 2.742 7.828 -1.971 1.00 32.51 C ATOM 1146 CG LEU A 80 2.209 6.451 -1.530 1.00 3.05 C ATOM 1147 CD1 LEU A 80 1.492 5.712 -2.652 1.00 15.43 C ATOM 1148 CD2 LEU A 80 3.292 5.601 -0.886 1.00 41.35 C ATOM 0 H LEU A 80 5.370 7.246 -2.654 1.00 12.23 H new ATOM 0 HA LEU A 80 2.843 7.675 -4.119 1.00 30.14 H new ATOM 0 HB2 LEU A 80 3.393 8.197 -1.179 1.00 32.51 H new ATOM 0 HB3 LEU A 80 1.891 8.507 -2.026 1.00 32.51 H new ATOM 0 HG LEU A 80 1.458 6.644 -0.764 1.00 3.05 H new ATOM 0 HD11 LEU A 80 1.138 4.749 -2.285 1.00 15.43 H new ATOM 0 HD12 LEU A 80 0.643 6.305 -2.994 1.00 15.43 H new ATOM 0 HD13 LEU A 80 2.181 5.553 -3.481 1.00 15.43 H new ATOM 0 HD21 LEU A 80 2.872 4.639 -0.591 1.00 41.35 H new ATOM 0 HD22 LEU A 80 4.101 5.440 -1.599 1.00 41.35 H new ATOM 0 HD23 LEU A 80 3.681 6.113 -0.006 1.00 41.35 H new ATOM 1160 N ASP A 81 3.562 10.065 -4.405 1.00 51.23 N ATOM 1161 CA ASP A 81 3.965 11.436 -4.618 1.00 3.44 C ATOM 1162 C ASP A 81 2.743 12.268 -4.797 1.00 14.14 C ATOM 1163 O ASP A 81 1.843 11.895 -5.552 1.00 53.13 O ATOM 1164 CB ASP A 81 4.889 11.586 -5.838 1.00 41.53 C ATOM 1165 CG ASP A 81 5.286 13.036 -6.103 1.00 44.33 C ATOM 1166 OD1 ASP A 81 6.214 13.546 -5.445 1.00 54.41 O ATOM 1167 OD2 ASP A 81 4.683 13.684 -6.998 1.00 34.21 O ATOM 0 H ASP A 81 2.887 9.715 -5.084 1.00 51.23 H new ATOM 0 HA ASP A 81 4.531 11.768 -3.748 1.00 3.44 H new ATOM 0 HB2 ASP A 81 5.788 10.990 -5.683 1.00 41.53 H new ATOM 0 HB3 ASP A 81 4.389 11.184 -6.719 1.00 41.53 H new ATOM 1172 N ASP A 82 2.690 13.355 -4.113 1.00 33.33 N ATOM 1173 CA ASP A 82 1.572 14.268 -4.167 1.00 51.24 C ATOM 1174 C ASP A 82 2.148 15.662 -4.110 1.00 22.05 C ATOM 1175 O ASP A 82 3.373 15.806 -3.962 1.00 33.43 O ATOM 1176 CB ASP A 82 0.631 14.003 -2.955 1.00 30.50 C ATOM 1177 CG ASP A 82 -0.602 14.902 -2.898 1.00 30.15 C ATOM 1178 OD1 ASP A 82 -1.600 14.615 -3.597 1.00 4.42 O ATOM 1179 OD2 ASP A 82 -0.574 15.939 -2.166 1.00 51.25 O ATOM 0 H ASP A 82 3.433 13.654 -3.481 1.00 33.33 H new ATOM 0 HA ASP A 82 0.985 14.139 -5.076 1.00 51.24 H new ATOM 0 HB2 ASP A 82 0.305 12.963 -2.986 1.00 30.50 H new ATOM 0 HB3 ASP A 82 1.201 14.131 -2.035 1.00 30.50 H new ATOM 1184 N VAL A 83 1.311 16.675 -4.244 1.00 0.22 N ATOM 1185 CA VAL A 83 1.728 18.059 -4.091 1.00 42.33 C ATOM 1186 C VAL A 83 2.274 18.223 -2.670 1.00 55.22 C ATOM 1187 O VAL A 83 3.193 19.008 -2.414 1.00 13.45 O ATOM 1188 CB VAL A 83 0.533 19.028 -4.307 1.00 64.22 C ATOM 1189 CG1 VAL A 83 0.969 20.486 -4.229 1.00 31.40 C ATOM 1190 CG2 VAL A 83 -0.146 18.751 -5.635 1.00 34.01 C ATOM 0 H VAL A 83 0.321 16.562 -4.462 1.00 0.22 H new ATOM 0 HA VAL A 83 2.488 18.300 -4.834 1.00 42.33 H new ATOM 0 HB VAL A 83 -0.181 18.851 -3.502 1.00 64.22 H new ATOM 0 HG11 VAL A 83 0.106 21.133 -4.385 1.00 31.40 H new ATOM 0 HG12 VAL A 83 1.399 20.685 -3.247 1.00 31.40 H new ATOM 0 HG13 VAL A 83 1.715 20.684 -4.999 1.00 31.40 H new ATOM 0 HG21 VAL A 83 -0.980 19.440 -5.768 1.00 34.01 H new ATOM 0 HG22 VAL A 83 0.570 18.888 -6.445 1.00 34.01 H new ATOM 0 HG23 VAL A 83 -0.516 17.726 -5.647 1.00 34.01 H new ATOM 1200 N THR A 84 1.698 17.459 -1.766 1.00 41.21 N ATOM 1201 CA THR A 84 2.158 17.367 -0.424 1.00 51.32 C ATOM 1202 C THR A 84 3.427 16.521 -0.426 1.00 3.41 C ATOM 1203 O THR A 84 3.401 15.334 -0.777 1.00 33.52 O ATOM 1204 CB THR A 84 1.111 16.677 0.440 1.00 72.00 C ATOM 1205 OG1 THR A 84 -0.179 17.268 0.182 1.00 51.24 O ATOM 1206 CG2 THR A 84 1.472 16.820 1.909 1.00 24.53 C ATOM 0 H THR A 84 0.882 16.879 -1.962 1.00 41.21 H new ATOM 0 HA THR A 84 2.347 18.363 -0.025 1.00 51.32 H new ATOM 0 HB THR A 84 1.077 15.615 0.195 1.00 72.00 H new ATOM 0 HG1 THR A 84 -0.557 16.884 -0.637 1.00 51.24 H new ATOM 0 HG21 THR A 84 0.717 16.323 2.519 1.00 24.53 H new ATOM 0 HG22 THR A 84 2.444 16.362 2.091 1.00 24.53 H new ATOM 0 HG23 THR A 84 1.513 17.877 2.172 1.00 24.53 H new ATOM 1214 N VAL A 85 4.517 17.129 -0.087 1.00 4.50 N ATOM 1215 CA VAL A 85 5.781 16.461 -0.110 1.00 61.23 C ATOM 1216 C VAL A 85 5.950 15.586 1.139 1.00 21.21 C ATOM 1217 O VAL A 85 5.750 16.042 2.276 1.00 51.34 O ATOM 1218 CB VAL A 85 6.946 17.472 -0.220 1.00 64.25 C ATOM 1219 CG1 VAL A 85 8.249 16.750 -0.406 1.00 62.40 C ATOM 1220 CG2 VAL A 85 6.720 18.445 -1.366 1.00 73.14 C ATOM 0 H VAL A 85 4.558 18.103 0.214 1.00 4.50 H new ATOM 0 HA VAL A 85 5.805 15.821 -0.992 1.00 61.23 H new ATOM 0 HB VAL A 85 6.985 18.041 0.709 1.00 64.25 H new ATOM 0 HG11 VAL A 85 9.059 17.475 -0.482 1.00 62.40 H new ATOM 0 HG12 VAL A 85 8.427 16.095 0.447 1.00 62.40 H new ATOM 0 HG13 VAL A 85 8.208 16.155 -1.318 1.00 62.40 H new ATOM 0 HG21 VAL A 85 7.555 19.144 -1.420 1.00 73.14 H new ATOM 0 HG22 VAL A 85 6.648 17.893 -2.303 1.00 73.14 H new ATOM 0 HG23 VAL A 85 5.795 18.997 -1.198 1.00 73.14 H new ATOM 1230 N SER A 86 6.242 14.323 0.919 1.00 32.42 N ATOM 1231 CA SER A 86 6.482 13.373 1.979 1.00 52.31 C ATOM 1232 C SER A 86 7.560 12.376 1.528 1.00 63.12 C ATOM 1233 O SER A 86 7.296 11.513 0.700 1.00 34.45 O ATOM 1234 CB SER A 86 5.173 12.625 2.314 1.00 30.20 C ATOM 1235 OG SER A 86 4.123 13.538 2.642 1.00 70.15 O ATOM 0 H SER A 86 6.320 13.923 -0.016 1.00 32.42 H new ATOM 0 HA SER A 86 6.825 13.896 2.872 1.00 52.31 H new ATOM 0 HB2 SER A 86 4.873 12.013 1.463 1.00 30.20 H new ATOM 0 HB3 SER A 86 5.343 11.947 3.150 1.00 30.20 H new ATOM 0 HG SER A 86 3.870 14.046 1.843 1.00 70.15 H new ATOM 1241 N ARG A 87 8.789 12.536 2.013 1.00 45.53 N ATOM 1242 CA ARG A 87 9.843 11.602 1.629 1.00 4.43 C ATOM 1243 C ARG A 87 9.772 10.314 2.443 1.00 64.13 C ATOM 1244 O ARG A 87 9.851 9.231 1.900 1.00 55.45 O ATOM 1245 CB ARG A 87 11.262 12.216 1.640 1.00 30.34 C ATOM 1246 CG ARG A 87 11.756 12.734 2.977 1.00 23.13 C ATOM 1247 CD ARG A 87 13.214 13.144 2.896 1.00 0.52 C ATOM 1248 NE ARG A 87 13.734 13.637 4.177 1.00 43.43 N ATOM 1249 CZ ARG A 87 14.965 13.355 4.667 1.00 42.25 C ATOM 1250 NH1 ARG A 87 15.876 12.729 3.911 1.00 73.34 N ATOM 1251 NH2 ARG A 87 15.303 13.763 5.875 1.00 12.41 N ATOM 0 H ARG A 87 9.074 13.278 2.652 1.00 45.53 H new ATOM 0 HA ARG A 87 9.649 11.352 0.586 1.00 4.43 H new ATOM 0 HB2 ARG A 87 11.964 11.462 1.284 1.00 30.34 H new ATOM 0 HB3 ARG A 87 11.286 13.038 0.924 1.00 30.34 H new ATOM 0 HG2 ARG A 87 11.151 13.587 3.287 1.00 23.13 H new ATOM 0 HG3 ARG A 87 11.633 11.963 3.738 1.00 23.13 H new ATOM 0 HD2 ARG A 87 13.810 12.291 2.570 1.00 0.52 H new ATOM 0 HD3 ARG A 87 13.328 13.920 2.139 1.00 0.52 H new ATOM 0 HE ARG A 87 13.126 14.234 4.738 1.00 43.43 H new ATOM 0 HH11 ARG A 87 15.646 12.459 2.955 1.00 73.34 H new ATOM 0 HH12 ARG A 87 16.799 12.522 4.292 1.00 73.34 H new ATOM 0 HH21 ARG A 87 14.638 14.291 6.440 1.00 12.41 H new ATOM 0 HH22 ARG A 87 16.230 13.551 6.244 1.00 12.41 H new ATOM 1265 N ARG A 88 9.603 10.441 3.731 1.00 74.00 N ATOM 1266 CA ARG A 88 9.461 9.294 4.601 1.00 15.03 C ATOM 1267 C ARG A 88 8.116 9.345 5.277 1.00 70.33 C ATOM 1268 O ARG A 88 7.924 10.124 6.205 1.00 25.52 O ATOM 1269 CB ARG A 88 10.573 9.239 5.668 1.00 41.41 C ATOM 1270 CG ARG A 88 11.788 8.362 5.343 1.00 11.43 C ATOM 1271 CD ARG A 88 12.612 8.838 4.158 1.00 33.52 C ATOM 1272 NE ARG A 88 13.783 7.968 3.971 1.00 20.42 N ATOM 1273 CZ ARG A 88 14.675 8.017 2.972 1.00 71.40 C ATOM 1274 NH1 ARG A 88 14.563 8.910 1.999 1.00 51.32 N ATOM 1275 NH2 ARG A 88 15.672 7.153 2.942 1.00 72.00 N ATOM 0 H ARG A 88 9.559 11.340 4.212 1.00 74.00 H new ATOM 0 HA ARG A 88 9.545 8.396 3.989 1.00 15.03 H new ATOM 0 HB2 ARG A 88 10.924 10.255 5.848 1.00 41.41 H new ATOM 0 HB3 ARG A 88 10.134 8.883 6.600 1.00 41.41 H new ATOM 0 HG2 ARG A 88 12.432 8.316 6.221 1.00 11.43 H new ATOM 0 HG3 ARG A 88 11.444 7.347 5.146 1.00 11.43 H new ATOM 0 HD2 ARG A 88 12.000 8.835 3.256 1.00 33.52 H new ATOM 0 HD3 ARG A 88 12.936 9.866 4.320 1.00 33.52 H new ATOM 0 HE ARG A 88 13.933 7.249 4.679 1.00 20.42 H new ATOM 0 HH11 ARG A 88 13.789 9.574 2.003 1.00 51.32 H new ATOM 0 HH12 ARG A 88 15.251 8.933 1.246 1.00 51.32 H new ATOM 0 HH21 ARG A 88 15.761 6.452 3.677 1.00 72.00 H new ATOM 0 HH22 ARG A 88 16.353 7.187 2.184 1.00 72.00 H new ATOM 1289 N HIS A 89 7.164 8.596 4.771 1.00 73.51 N ATOM 1290 CA HIS A 89 5.864 8.574 5.410 1.00 73.52 C ATOM 1291 C HIS A 89 5.695 7.330 6.285 1.00 11.43 C ATOM 1292 O HIS A 89 5.430 7.442 7.482 1.00 12.14 O ATOM 1293 CB HIS A 89 4.718 8.706 4.380 1.00 12.13 C ATOM 1294 CG HIS A 89 3.335 8.638 4.987 1.00 22.22 C ATOM 1295 ND1 HIS A 89 2.536 7.551 4.785 1.00 35.12 N ATOM 1296 CD2 HIS A 89 2.677 9.525 5.789 1.00 64.15 C ATOM 1297 CE1 HIS A 89 1.428 7.783 5.460 1.00 22.21 C ATOM 1298 NE2 HIS A 89 1.469 8.965 6.082 1.00 51.44 N ATOM 0 H HIS A 89 7.257 8.008 3.942 1.00 73.51 H new ATOM 0 HA HIS A 89 5.808 9.444 6.064 1.00 73.52 H new ATOM 0 HB2 HIS A 89 4.826 9.653 3.852 1.00 12.13 H new ATOM 0 HB3 HIS A 89 4.817 7.914 3.638 1.00 12.13 H new ATOM 0 HD1 HIS A 89 2.752 6.726 4.225 1.00 35.12 H new ATOM 0 HD2 HIS A 89 3.042 10.484 6.126 1.00 64.15 H new ATOM 0 HE1 HIS A 89 0.591 7.102 5.505 1.00 22.21 H new ATOM 1306 N ALA A 90 5.933 6.157 5.723 1.00 5.23 N ATOM 1307 CA ALA A 90 5.699 4.934 6.468 1.00 21.33 C ATOM 1308 C ALA A 90 6.520 3.781 5.933 1.00 30.00 C ATOM 1309 O ALA A 90 7.059 3.838 4.820 1.00 11.25 O ATOM 1310 CB ALA A 90 4.212 4.570 6.436 1.00 45.02 C ATOM 0 H ALA A 90 6.281 6.027 4.773 1.00 5.23 H new ATOM 0 HA ALA A 90 6.009 5.116 7.497 1.00 21.33 H new ATOM 0 HB1 ALA A 90 4.050 3.651 6.999 1.00 45.02 H new ATOM 0 HB2 ALA A 90 3.630 5.376 6.883 1.00 45.02 H new ATOM 0 HB3 ALA A 90 3.895 4.424 5.403 1.00 45.02 H new ATOM 1316 N GLU A 91 6.626 2.756 6.732 1.00 33.21 N ATOM 1317 CA GLU A 91 7.296 1.543 6.375 1.00 1.31 C ATOM 1318 C GLU A 91 6.322 0.394 6.574 1.00 31.54 C ATOM 1319 O GLU A 91 5.588 0.360 7.564 1.00 62.15 O ATOM 1320 CB GLU A 91 8.529 1.301 7.263 1.00 2.04 C ATOM 1321 CG GLU A 91 9.532 2.441 7.302 1.00 52.21 C ATOM 1322 CD GLU A 91 10.734 2.118 8.156 1.00 44.41 C ATOM 1323 OE1 GLU A 91 10.625 2.103 9.390 1.00 63.44 O ATOM 1324 OE2 GLU A 91 11.827 1.889 7.605 1.00 74.11 O ATOM 0 H GLU A 91 6.237 2.744 7.675 1.00 33.21 H new ATOM 0 HA GLU A 91 7.629 1.614 5.340 1.00 1.31 H new ATOM 0 HB2 GLU A 91 8.191 1.101 8.280 1.00 2.04 H new ATOM 0 HB3 GLU A 91 9.038 0.403 6.914 1.00 2.04 H new ATOM 0 HG2 GLU A 91 9.860 2.668 6.288 1.00 52.21 H new ATOM 0 HG3 GLU A 91 9.045 3.337 7.688 1.00 52.21 H new ATOM 1331 N PHE A 92 6.304 -0.508 5.651 1.00 53.52 N ATOM 1332 CA PHE A 92 5.494 -1.691 5.736 1.00 65.44 C ATOM 1333 C PHE A 92 6.427 -2.835 6.044 1.00 24.24 C ATOM 1334 O PHE A 92 7.295 -3.175 5.237 1.00 33.51 O ATOM 1335 CB PHE A 92 4.754 -1.961 4.410 1.00 11.32 C ATOM 1336 CG PHE A 92 3.717 -0.934 4.032 1.00 60.12 C ATOM 1337 CD1 PHE A 92 4.068 0.235 3.372 1.00 53.30 C ATOM 1338 CD2 PHE A 92 2.385 -1.149 4.327 1.00 23.50 C ATOM 1339 CE1 PHE A 92 3.103 1.163 3.020 1.00 2.41 C ATOM 1340 CE2 PHE A 92 1.418 -0.225 3.978 1.00 32.41 C ATOM 1341 CZ PHE A 92 1.779 0.933 3.325 1.00 25.03 C ATOM 0 H PHE A 92 6.860 -0.449 4.798 1.00 53.52 H new ATOM 0 HA PHE A 92 4.734 -1.572 6.509 1.00 65.44 H new ATOM 0 HB2 PHE A 92 5.490 -2.023 3.608 1.00 11.32 H new ATOM 0 HB3 PHE A 92 4.270 -2.936 4.475 1.00 11.32 H new ATOM 0 HD1 PHE A 92 5.104 0.423 3.131 1.00 53.30 H new ATOM 0 HD2 PHE A 92 2.094 -2.054 4.839 1.00 23.50 H new ATOM 0 HE1 PHE A 92 3.388 2.069 2.506 1.00 2.41 H new ATOM 0 HE2 PHE A 92 0.381 -0.411 4.217 1.00 32.41 H new ATOM 0 HZ PHE A 92 1.027 1.658 3.053 1.00 25.03 H new ATOM 1351 N ARG A 93 6.292 -3.395 7.191 1.00 53.24 N ATOM 1352 CA ARG A 93 7.184 -4.426 7.616 1.00 72.22 C ATOM 1353 C ARG A 93 6.452 -5.746 7.672 1.00 41.33 C ATOM 1354 O ARG A 93 5.301 -5.815 8.103 1.00 45.14 O ATOM 1355 CB ARG A 93 7.819 -4.055 8.966 1.00 34.12 C ATOM 1356 CG ARG A 93 8.839 -5.054 9.492 1.00 74.50 C ATOM 1357 CD ARG A 93 9.538 -4.532 10.744 1.00 65.04 C ATOM 1358 NE ARG A 93 8.597 -4.213 11.831 1.00 61.32 N ATOM 1359 CZ ARG A 93 8.766 -3.239 12.749 1.00 60.54 C ATOM 1360 NH1 ARG A 93 9.854 -2.461 12.719 1.00 62.24 N ATOM 1361 NH2 ARG A 93 7.834 -3.027 13.668 1.00 51.15 N ATOM 0 H ARG A 93 5.564 -3.157 7.864 1.00 53.24 H new ATOM 0 HA ARG A 93 7.996 -4.530 6.896 1.00 72.22 H new ATOM 0 HB2 ARG A 93 8.302 -3.083 8.869 1.00 34.12 H new ATOM 0 HB3 ARG A 93 7.026 -3.944 9.706 1.00 34.12 H new ATOM 0 HG2 ARG A 93 8.343 -5.998 9.718 1.00 74.50 H new ATOM 0 HG3 ARG A 93 9.580 -5.260 8.720 1.00 74.50 H new ATOM 0 HD2 ARG A 93 10.251 -5.278 11.094 1.00 65.04 H new ATOM 0 HD3 ARG A 93 10.109 -3.639 10.490 1.00 65.04 H new ATOM 0 HE ARG A 93 7.748 -4.775 11.895 1.00 61.32 H new ATOM 0 HH11 ARG A 93 10.562 -2.602 11.999 1.00 62.24 H new ATOM 0 HH12 ARG A 93 9.975 -1.726 13.416 1.00 62.24 H new ATOM 0 HH21 ARG A 93 6.990 -3.600 13.680 1.00 51.15 H new ATOM 0 HH22 ARG A 93 7.961 -2.291 14.363 1.00 51.15 H new ATOM 1375 N ILE A 94 7.089 -6.764 7.185 1.00 35.41 N ATOM 1376 CA ILE A 94 6.524 -8.086 7.170 1.00 12.01 C ATOM 1377 C ILE A 94 7.286 -8.865 8.211 1.00 71.24 C ATOM 1378 O ILE A 94 8.491 -9.058 8.067 1.00 40.45 O ATOM 1379 CB ILE A 94 6.753 -8.777 5.791 1.00 4.02 C ATOM 1380 CG1 ILE A 94 6.453 -7.819 4.619 1.00 1.44 C ATOM 1381 CG2 ILE A 94 5.910 -10.048 5.669 1.00 12.11 C ATOM 1382 CD1 ILE A 94 5.059 -7.255 4.599 1.00 24.42 C ATOM 0 H ILE A 94 8.024 -6.706 6.782 1.00 35.41 H new ATOM 0 HA ILE A 94 5.451 -8.044 7.358 1.00 12.01 H new ATOM 0 HB ILE A 94 7.806 -9.052 5.738 1.00 4.02 H new ATOM 0 HG12 ILE A 94 7.163 -6.992 4.655 1.00 1.44 H new ATOM 0 HG13 ILE A 94 6.628 -8.349 3.683 1.00 1.44 H new ATOM 0 HG21 ILE A 94 6.088 -10.511 4.698 1.00 12.11 H new ATOM 0 HG22 ILE A 94 6.187 -10.745 6.460 1.00 12.11 H new ATOM 0 HG23 ILE A 94 4.854 -9.794 5.762 1.00 12.11 H new ATOM 0 HD11 ILE A 94 4.946 -6.594 3.739 1.00 24.42 H new ATOM 0 HD12 ILE A 94 4.338 -8.069 4.528 1.00 24.42 H new ATOM 0 HD13 ILE A 94 4.881 -6.692 5.515 1.00 24.42 H new ATOM 1394 N ASN A 95 6.640 -9.255 9.260 1.00 42.22 N ATOM 1395 CA ASN A 95 7.319 -9.960 10.317 1.00 41.34 C ATOM 1396 C ASN A 95 6.499 -11.132 10.780 1.00 65.41 C ATOM 1397 O ASN A 95 5.336 -10.972 11.157 1.00 1.05 O ATOM 1398 CB ASN A 95 7.654 -9.014 11.488 1.00 55.13 C ATOM 1399 CG ASN A 95 8.393 -9.710 12.628 1.00 11.44 C ATOM 1400 OD1 ASN A 95 9.626 -9.818 12.612 1.00 14.01 O ATOM 1401 ND2 ASN A 95 7.668 -10.136 13.632 1.00 44.42 N ATOM 0 H ASN A 95 5.644 -9.102 9.416 1.00 42.22 H new ATOM 0 HA ASN A 95 8.261 -10.341 9.924 1.00 41.34 H new ATOM 0 HB2 ASN A 95 8.263 -8.189 11.118 1.00 55.13 H new ATOM 0 HB3 ASN A 95 6.731 -8.581 11.873 1.00 55.13 H new ATOM 0 HD21 ASN A 95 8.118 -10.574 14.436 1.00 44.42 H new ATOM 0 HD22 ASN A 95 6.654 -10.030 13.610 1.00 44.42 H new ATOM 1408 N GLU A 96 7.104 -12.309 10.706 1.00 20.10 N ATOM 1409 CA GLU A 96 6.515 -13.594 11.114 1.00 14.52 C ATOM 1410 C GLU A 96 5.185 -13.842 10.360 1.00 54.13 C ATOM 1411 O GLU A 96 4.221 -14.414 10.888 1.00 40.42 O ATOM 1412 CB GLU A 96 6.299 -13.598 12.635 1.00 31.54 C ATOM 1413 CG GLU A 96 6.048 -14.971 13.225 1.00 54.12 C ATOM 1414 CD GLU A 96 5.714 -14.906 14.676 1.00 31.22 C ATOM 1415 OE1 GLU A 96 4.518 -14.791 15.010 1.00 51.24 O ATOM 1416 OE2 GLU A 96 6.627 -14.971 15.510 1.00 0.11 O ATOM 0 H GLU A 96 8.054 -12.408 10.348 1.00 20.10 H new ATOM 0 HA GLU A 96 7.198 -14.404 10.857 1.00 14.52 H new ATOM 0 HB2 GLU A 96 7.175 -13.163 13.116 1.00 31.54 H new ATOM 0 HB3 GLU A 96 5.453 -12.953 12.872 1.00 31.54 H new ATOM 0 HG2 GLU A 96 5.231 -15.452 12.687 1.00 54.12 H new ATOM 0 HG3 GLU A 96 6.932 -15.592 13.085 1.00 54.12 H new ATOM 1423 N GLY A 97 5.168 -13.436 9.109 1.00 5.53 N ATOM 1424 CA GLY A 97 4.009 -13.642 8.263 1.00 31.02 C ATOM 1425 C GLY A 97 2.924 -12.603 8.472 1.00 23.01 C ATOM 1426 O GLY A 97 1.884 -12.644 7.817 1.00 25.34 O ATOM 0 H GLY A 97 5.946 -12.960 8.652 1.00 5.53 H new ATOM 0 HA2 GLY A 97 4.322 -13.626 7.219 1.00 31.02 H new ATOM 0 HA3 GLY A 97 3.597 -14.632 8.457 1.00 31.02 H new ATOM 1430 N GLU A 98 3.154 -11.683 9.375 1.00 1.34 N ATOM 1431 CA GLU A 98 2.201 -10.642 9.649 1.00 13.43 C ATOM 1432 C GLU A 98 2.677 -9.375 8.991 1.00 31.40 C ATOM 1433 O GLU A 98 3.883 -9.128 8.896 1.00 24.51 O ATOM 1434 CB GLU A 98 2.060 -10.425 11.148 1.00 1.04 C ATOM 1435 CG GLU A 98 1.747 -11.688 11.913 1.00 14.02 C ATOM 1436 CD GLU A 98 1.581 -11.442 13.383 1.00 53.00 C ATOM 1437 OE1 GLU A 98 2.589 -11.183 14.061 1.00 43.52 O ATOM 1438 OE2 GLU A 98 0.433 -11.501 13.888 1.00 74.15 O ATOM 0 H GLU A 98 4.004 -11.636 9.937 1.00 1.34 H new ATOM 0 HA GLU A 98 1.226 -10.929 9.256 1.00 13.43 H new ATOM 0 HB2 GLU A 98 2.985 -9.996 11.533 1.00 1.04 H new ATOM 0 HB3 GLU A 98 1.271 -9.695 11.329 1.00 1.04 H new ATOM 0 HG2 GLU A 98 0.834 -12.132 11.517 1.00 14.02 H new ATOM 0 HG3 GLU A 98 2.547 -12.411 11.757 1.00 14.02 H new ATOM 1445 N PHE A 99 1.759 -8.596 8.535 1.00 41.00 N ATOM 1446 CA PHE A 99 2.062 -7.380 7.837 1.00 73.03 C ATOM 1447 C PHE A 99 1.778 -6.230 8.789 1.00 43.31 C ATOM 1448 O PHE A 99 0.706 -6.170 9.366 1.00 51.23 O ATOM 1449 CB PHE A 99 1.138 -7.264 6.602 1.00 22.54 C ATOM 1450 CG PHE A 99 1.187 -8.446 5.646 1.00 61.14 C ATOM 1451 CD1 PHE A 99 0.474 -9.612 5.912 1.00 63.43 C ATOM 1452 CD2 PHE A 99 1.934 -8.385 4.490 1.00 31.34 C ATOM 1453 CE1 PHE A 99 0.518 -10.685 5.040 1.00 61.15 C ATOM 1454 CE2 PHE A 99 1.983 -9.454 3.615 1.00 14.02 C ATOM 1455 CZ PHE A 99 1.276 -10.604 3.891 1.00 32.34 C ATOM 0 H PHE A 99 0.761 -8.782 8.634 1.00 41.00 H new ATOM 0 HA PHE A 99 3.101 -7.363 7.509 1.00 73.03 H new ATOM 0 HB2 PHE A 99 0.112 -7.137 6.946 1.00 22.54 H new ATOM 0 HB3 PHE A 99 1.404 -6.361 6.052 1.00 22.54 H new ATOM 0 HD1 PHE A 99 -0.121 -9.680 6.811 1.00 63.43 H new ATOM 0 HD2 PHE A 99 2.490 -7.487 4.264 1.00 31.34 H new ATOM 0 HE1 PHE A 99 -0.040 -11.584 5.259 1.00 61.15 H new ATOM 0 HE2 PHE A 99 2.576 -9.388 2.715 1.00 14.02 H new ATOM 0 HZ PHE A 99 1.315 -11.440 3.209 1.00 32.34 H new ATOM 1465 N GLU A 100 2.711 -5.359 8.990 1.00 40.41 N ATOM 1466 CA GLU A 100 2.490 -4.238 9.874 1.00 73.22 C ATOM 1467 C GLU A 100 2.897 -2.943 9.192 1.00 72.54 C ATOM 1468 O GLU A 100 3.805 -2.929 8.348 1.00 21.21 O ATOM 1469 CB GLU A 100 3.247 -4.428 11.195 1.00 41.50 C ATOM 1470 CG GLU A 100 4.752 -4.431 11.042 1.00 74.13 C ATOM 1471 CD GLU A 100 5.479 -4.710 12.315 1.00 14.12 C ATOM 1472 OE1 GLU A 100 5.307 -3.961 13.294 1.00 71.34 O ATOM 1473 OE2 GLU A 100 6.298 -5.639 12.343 1.00 1.14 O ATOM 0 H GLU A 100 3.635 -5.392 8.560 1.00 40.41 H new ATOM 0 HA GLU A 100 1.427 -4.183 10.107 1.00 73.22 H new ATOM 0 HB2 GLU A 100 2.963 -3.632 11.883 1.00 41.50 H new ATOM 0 HB3 GLU A 100 2.936 -5.369 11.649 1.00 41.50 H new ATOM 0 HG2 GLU A 100 5.032 -5.180 10.301 1.00 74.13 H new ATOM 0 HG3 GLU A 100 5.072 -3.464 10.655 1.00 74.13 H new ATOM 1480 N VAL A 101 2.211 -1.883 9.510 1.00 3.44 N ATOM 1481 CA VAL A 101 2.520 -0.590 8.960 1.00 13.22 C ATOM 1482 C VAL A 101 3.008 0.281 10.088 1.00 25.00 C ATOM 1483 O VAL A 101 2.316 0.431 11.104 1.00 11.43 O ATOM 1484 CB VAL A 101 1.259 0.090 8.353 1.00 31.22 C ATOM 1485 CG1 VAL A 101 1.614 1.397 7.650 1.00 10.35 C ATOM 1486 CG2 VAL A 101 0.534 -0.843 7.413 1.00 53.01 C ATOM 0 H VAL A 101 1.422 -1.888 10.157 1.00 3.44 H new ATOM 0 HA VAL A 101 3.264 -0.714 8.173 1.00 13.22 H new ATOM 0 HB VAL A 101 0.588 0.326 9.179 1.00 31.22 H new ATOM 0 HG11 VAL A 101 0.710 1.845 7.238 1.00 10.35 H new ATOM 0 HG12 VAL A 101 2.066 2.084 8.366 1.00 10.35 H new ATOM 0 HG13 VAL A 101 2.320 1.197 6.844 1.00 10.35 H new ATOM 0 HG21 VAL A 101 -0.342 -0.340 7.005 1.00 53.01 H new ATOM 0 HG22 VAL A 101 1.200 -1.129 6.599 1.00 53.01 H new ATOM 0 HG23 VAL A 101 0.220 -1.735 7.956 1.00 53.01 H new ATOM 1496 N VAL A 102 4.183 0.820 9.946 1.00 62.51 N ATOM 1497 CA VAL A 102 4.688 1.741 10.913 1.00 23.03 C ATOM 1498 C VAL A 102 4.947 3.085 10.251 1.00 1.22 C ATOM 1499 O VAL A 102 5.679 3.185 9.272 1.00 70.25 O ATOM 1500 CB VAL A 102 5.962 1.213 11.663 1.00 32.24 C ATOM 1501 CG1 VAL A 102 5.619 0.011 12.535 1.00 71.42 C ATOM 1502 CG2 VAL A 102 7.083 0.842 10.696 1.00 1.51 C ATOM 0 H VAL A 102 4.811 0.634 9.164 1.00 62.51 H new ATOM 0 HA VAL A 102 3.926 1.859 11.683 1.00 23.03 H new ATOM 0 HB VAL A 102 6.316 2.028 12.295 1.00 32.24 H new ATOM 0 HG11 VAL A 102 6.518 -0.337 13.045 1.00 71.42 H new ATOM 0 HG12 VAL A 102 4.871 0.299 13.274 1.00 71.42 H new ATOM 0 HG13 VAL A 102 5.222 -0.790 11.911 1.00 71.42 H new ATOM 0 HG21 VAL A 102 7.944 0.482 11.258 1.00 1.51 H new ATOM 0 HG22 VAL A 102 6.737 0.059 10.021 1.00 1.51 H new ATOM 0 HG23 VAL A 102 7.369 1.720 10.117 1.00 1.51 H new ATOM 1512 N ASP A 103 4.315 4.089 10.755 1.00 0.11 N ATOM 1513 CA ASP A 103 4.467 5.443 10.260 1.00 64.41 C ATOM 1514 C ASP A 103 5.695 6.080 10.835 1.00 64.31 C ATOM 1515 O ASP A 103 5.994 5.913 12.030 1.00 34.33 O ATOM 1516 CB ASP A 103 3.228 6.266 10.596 1.00 70.43 C ATOM 1517 CG ASP A 103 3.420 7.754 10.457 1.00 13.00 C ATOM 1518 OD1 ASP A 103 3.223 8.304 9.369 1.00 72.43 O ATOM 1519 OD2 ASP A 103 3.763 8.397 11.458 1.00 42.31 O ATOM 0 H ASP A 103 3.664 4.006 11.536 1.00 0.11 H new ATOM 0 HA ASP A 103 4.579 5.408 9.176 1.00 64.41 H new ATOM 0 HB2 ASP A 103 2.411 5.954 9.946 1.00 70.43 H new ATOM 0 HB3 ASP A 103 2.924 6.044 11.619 1.00 70.43 H new ATOM 1524 N VAL A 104 6.408 6.787 10.002 1.00 54.25 N ATOM 1525 CA VAL A 104 7.616 7.469 10.395 1.00 43.31 C ATOM 1526 C VAL A 104 7.508 8.945 10.033 1.00 64.13 C ATOM 1527 O VAL A 104 8.490 9.692 10.091 1.00 61.31 O ATOM 1528 CB VAL A 104 8.887 6.843 9.726 1.00 12.34 C ATOM 1529 CG1 VAL A 104 9.082 5.402 10.170 1.00 33.22 C ATOM 1530 CG2 VAL A 104 8.806 6.908 8.204 1.00 72.41 C ATOM 0 H VAL A 104 6.166 6.909 9.019 1.00 54.25 H new ATOM 0 HA VAL A 104 7.728 7.358 11.474 1.00 43.31 H new ATOM 0 HB VAL A 104 9.745 7.432 10.051 1.00 12.34 H new ATOM 0 HG11 VAL A 104 9.971 4.991 9.691 1.00 33.22 H new ATOM 0 HG12 VAL A 104 9.204 5.368 11.253 1.00 33.22 H new ATOM 0 HG13 VAL A 104 8.211 4.812 9.885 1.00 33.22 H new ATOM 0 HG21 VAL A 104 9.704 6.465 7.773 1.00 72.41 H new ATOM 0 HG22 VAL A 104 7.930 6.357 7.862 1.00 72.41 H new ATOM 0 HG23 VAL A 104 8.727 7.948 7.888 1.00 72.41 H new ATOM 1540 N GLY A 105 6.313 9.373 9.693 1.00 61.04 N ATOM 1541 CA GLY A 105 6.133 10.727 9.280 1.00 4.50 C ATOM 1542 C GLY A 105 5.024 11.425 10.021 1.00 34.42 C ATOM 1543 O GLY A 105 5.270 12.406 10.731 1.00 43.43 O ATOM 0 H GLY A 105 5.467 8.803 9.697 1.00 61.04 H new ATOM 0 HA2 GLY A 105 7.064 11.274 9.431 1.00 4.50 H new ATOM 0 HA3 GLY A 105 5.919 10.750 8.211 1.00 4.50 H new ATOM 1547 N SER A 106 3.789 10.927 9.845 1.00 23.03 N ATOM 1548 CA SER A 106 2.560 11.494 10.439 1.00 34.35 C ATOM 1549 C SER A 106 2.306 12.933 9.932 1.00 43.33 C ATOM 1550 O SER A 106 1.396 13.623 10.394 1.00 13.35 O ATOM 1551 CB SER A 106 2.660 11.459 11.982 1.00 12.33 C ATOM 1552 OG SER A 106 1.432 11.802 12.619 1.00 40.24 O ATOM 0 H SER A 106 3.610 10.101 9.274 1.00 23.03 H new ATOM 0 HA SER A 106 1.711 10.886 10.128 1.00 34.35 H new ATOM 0 HB2 SER A 106 2.964 10.462 12.300 1.00 12.33 H new ATOM 0 HB3 SER A 106 3.439 12.149 12.308 1.00 12.33 H new ATOM 0 HG SER A 106 1.015 12.550 12.143 1.00 40.24 H new ATOM 1558 N LEU A 107 3.075 13.323 8.948 1.00 14.22 N ATOM 1559 CA LEU A 107 3.093 14.669 8.420 1.00 3.33 C ATOM 1560 C LEU A 107 1.884 14.968 7.534 1.00 2.13 C ATOM 1561 O LEU A 107 1.223 15.997 7.688 1.00 65.23 O ATOM 1562 CB LEU A 107 4.404 14.918 7.612 1.00 63.35 C ATOM 1563 CG LEU A 107 4.579 14.184 6.243 1.00 40.44 C ATOM 1564 CD1 LEU A 107 5.695 14.801 5.454 1.00 0.12 C ATOM 1565 CD2 LEU A 107 4.855 12.693 6.412 1.00 32.33 C ATOM 0 H LEU A 107 3.727 12.696 8.476 1.00 14.22 H new ATOM 0 HA LEU A 107 3.050 15.342 9.276 1.00 3.33 H new ATOM 0 HB2 LEU A 107 4.483 15.989 7.428 1.00 63.35 H new ATOM 0 HB3 LEU A 107 5.245 14.641 8.248 1.00 63.35 H new ATOM 0 HG LEU A 107 3.635 14.296 5.709 1.00 40.44 H new ATOM 0 HD11 LEU A 107 5.802 14.277 4.504 1.00 0.12 H new ATOM 0 HD12 LEU A 107 5.470 15.851 5.266 1.00 0.12 H new ATOM 0 HD13 LEU A 107 6.625 14.724 6.018 1.00 0.12 H new ATOM 0 HD21 LEU A 107 4.968 12.231 5.432 1.00 32.33 H new ATOM 0 HD22 LEU A 107 5.771 12.555 6.986 1.00 32.33 H new ATOM 0 HD23 LEU A 107 4.023 12.226 6.939 1.00 32.33 H new ATOM 1577 N ASN A 108 1.594 14.035 6.652 1.00 44.32 N ATOM 1578 CA ASN A 108 0.603 14.210 5.596 1.00 23.15 C ATOM 1579 C ASN A 108 -0.770 13.769 6.099 1.00 75.14 C ATOM 1580 O ASN A 108 -1.803 14.161 5.574 1.00 42.22 O ATOM 1581 CB ASN A 108 1.068 13.349 4.396 1.00 12.42 C ATOM 1582 CG ASN A 108 0.431 13.672 3.047 1.00 14.44 C ATOM 1583 OD1 ASN A 108 -0.700 14.103 2.945 1.00 74.03 O ATOM 1584 ND2 ASN A 108 1.198 13.496 1.994 1.00 72.10 N ATOM 0 H ASN A 108 2.043 13.119 6.643 1.00 44.32 H new ATOM 0 HA ASN A 108 0.516 15.254 5.295 1.00 23.15 H new ATOM 0 HB2 ASN A 108 2.149 13.453 4.298 1.00 12.42 H new ATOM 0 HB3 ASN A 108 0.868 12.303 4.627 1.00 12.42 H new ATOM 0 HD21 ASN A 108 0.847 13.723 1.064 1.00 72.10 H new ATOM 0 HD22 ASN A 108 2.144 13.133 2.107 1.00 72.10 H new ATOM 1591 N GLY A 109 -0.761 12.997 7.162 1.00 71.04 N ATOM 1592 CA GLY A 109 -1.983 12.470 7.701 1.00 72.23 C ATOM 1593 C GLY A 109 -2.078 10.994 7.444 1.00 43.14 C ATOM 1594 O GLY A 109 -2.611 10.565 6.427 1.00 45.33 O ATOM 0 H GLY A 109 0.082 12.723 7.667 1.00 71.04 H new ATOM 0 HA2 GLY A 109 -2.027 12.662 8.773 1.00 72.23 H new ATOM 0 HA3 GLY A 109 -2.835 12.979 7.251 1.00 72.23 H new ATOM 1598 N THR A 110 -1.509 10.226 8.321 1.00 13.01 N ATOM 1599 CA THR A 110 -1.522 8.800 8.193 1.00 23.22 C ATOM 1600 C THR A 110 -2.863 8.232 8.685 1.00 5.04 C ATOM 1601 O THR A 110 -3.339 8.570 9.789 1.00 32.41 O ATOM 1602 CB THR A 110 -0.373 8.234 9.027 1.00 12.31 C ATOM 1603 OG1 THR A 110 0.802 9.031 8.737 1.00 2.54 O ATOM 1604 CG2 THR A 110 -0.111 6.778 8.659 1.00 64.23 C ATOM 0 H THR A 110 -1.021 10.570 9.148 1.00 13.01 H new ATOM 0 HA THR A 110 -1.400 8.519 7.147 1.00 23.22 H new ATOM 0 HB THR A 110 -0.621 8.271 10.088 1.00 12.31 H new ATOM 0 HG1 THR A 110 0.850 9.204 7.774 1.00 2.54 H new ATOM 0 HG21 THR A 110 0.710 6.392 9.263 1.00 64.23 H new ATOM 0 HG22 THR A 110 -1.008 6.188 8.847 1.00 64.23 H new ATOM 0 HG23 THR A 110 0.152 6.711 7.603 1.00 64.23 H new ATOM 1612 N TYR A 111 -3.464 7.399 7.867 1.00 4.40 N ATOM 1613 CA TYR A 111 -4.713 6.747 8.177 1.00 31.14 C ATOM 1614 C TYR A 111 -4.620 5.268 7.906 1.00 0.22 C ATOM 1615 O TYR A 111 -4.090 4.853 6.881 1.00 25.21 O ATOM 1616 CB TYR A 111 -5.843 7.292 7.317 1.00 71.32 C ATOM 1617 CG TYR A 111 -6.424 8.613 7.716 1.00 61.11 C ATOM 1618 CD1 TYR A 111 -7.445 8.667 8.642 1.00 21.25 C ATOM 1619 CD2 TYR A 111 -5.989 9.798 7.145 1.00 64.04 C ATOM 1620 CE1 TYR A 111 -8.021 9.854 8.999 1.00 13.42 C ATOM 1621 CE2 TYR A 111 -6.567 10.998 7.494 1.00 20.43 C ATOM 1622 CZ TYR A 111 -7.584 11.014 8.427 1.00 70.04 C ATOM 1623 OH TYR A 111 -8.172 12.190 8.773 1.00 32.43 O ATOM 0 H TYR A 111 -3.090 7.152 6.951 1.00 4.40 H new ATOM 0 HA TYR A 111 -4.916 6.935 9.231 1.00 31.14 H new ATOM 0 HB2 TYR A 111 -5.479 7.377 6.293 1.00 71.32 H new ATOM 0 HB3 TYR A 111 -6.648 6.557 7.309 1.00 71.32 H new ATOM 0 HD1 TYR A 111 -7.797 7.752 9.095 1.00 21.25 H new ATOM 0 HD2 TYR A 111 -5.189 9.780 6.419 1.00 64.04 H new ATOM 0 HE1 TYR A 111 -8.817 9.874 9.729 1.00 13.42 H new ATOM 0 HE2 TYR A 111 -6.228 11.918 7.042 1.00 20.43 H new ATOM 0 HH TYR A 111 -8.340 12.200 9.738 1.00 32.43 H new ATOM 1633 N VAL A 112 -5.129 4.493 8.813 1.00 22.42 N ATOM 1634 CA VAL A 112 -5.238 3.064 8.663 1.00 40.22 C ATOM 1635 C VAL A 112 -6.655 2.709 9.073 1.00 33.23 C ATOM 1636 O VAL A 112 -7.083 3.076 10.177 1.00 24.21 O ATOM 1637 CB VAL A 112 -4.232 2.282 9.565 1.00 22.32 C ATOM 1638 CG1 VAL A 112 -4.334 0.786 9.300 1.00 43.31 C ATOM 1639 CG2 VAL A 112 -2.795 2.757 9.354 1.00 32.42 C ATOM 0 H VAL A 112 -5.491 4.839 9.702 1.00 22.42 H new ATOM 0 HA VAL A 112 -5.007 2.787 7.635 1.00 40.22 H new ATOM 0 HB VAL A 112 -4.499 2.481 10.603 1.00 22.32 H new ATOM 0 HG11 VAL A 112 -3.626 0.255 9.936 1.00 43.31 H new ATOM 0 HG12 VAL A 112 -5.346 0.446 9.520 1.00 43.31 H new ATOM 0 HG13 VAL A 112 -4.103 0.585 8.254 1.00 43.31 H new ATOM 0 HG21 VAL A 112 -2.125 2.189 10.000 1.00 32.42 H new ATOM 0 HG22 VAL A 112 -2.511 2.605 8.313 1.00 32.42 H new ATOM 0 HG23 VAL A 112 -2.722 3.817 9.599 1.00 32.42 H new ATOM 1649 N ASN A 113 -7.392 2.061 8.175 1.00 52.12 N ATOM 1650 CA ASN A 113 -8.811 1.690 8.368 1.00 71.21 C ATOM 1651 C ASN A 113 -9.622 2.962 8.658 1.00 73.41 C ATOM 1652 O ASN A 113 -10.598 2.954 9.397 1.00 14.55 O ATOM 1653 CB ASN A 113 -8.919 0.684 9.545 1.00 63.42 C ATOM 1654 CG ASN A 113 -10.175 -0.207 9.547 1.00 52.12 C ATOM 1655 OD1 ASN A 113 -10.107 -1.359 9.978 1.00 10.52 O ATOM 1656 ND2 ASN A 113 -11.319 0.297 9.126 1.00 31.55 N ATOM 0 H ASN A 113 -7.022 1.768 7.271 1.00 52.12 H new ATOM 0 HA ASN A 113 -9.209 1.217 7.470 1.00 71.21 H new ATOM 0 HB2 ASN A 113 -8.039 0.041 9.531 1.00 63.42 H new ATOM 0 HB3 ASN A 113 -8.891 1.243 10.480 1.00 63.42 H new ATOM 0 HD21 ASN A 113 -12.167 -0.269 9.154 1.00 31.55 H new ATOM 0 HD22 ASN A 113 -11.356 1.253 8.772 1.00 31.55 H new ATOM 1663 N ARG A 114 -9.236 4.039 7.962 1.00 50.44 N ATOM 1664 CA ARG A 114 -9.888 5.363 8.041 1.00 3.11 C ATOM 1665 C ARG A 114 -9.727 6.050 9.405 1.00 53.53 C ATOM 1666 O ARG A 114 -10.382 7.067 9.677 1.00 74.14 O ATOM 1667 CB ARG A 114 -11.359 5.281 7.617 1.00 62.41 C ATOM 1668 CG ARG A 114 -11.520 4.861 6.175 1.00 53.12 C ATOM 1669 CD ARG A 114 -12.965 4.665 5.789 1.00 33.25 C ATOM 1670 NE ARG A 114 -13.609 3.547 6.500 1.00 21.43 N ATOM 1671 CZ ARG A 114 -14.086 2.452 5.889 1.00 0.43 C ATOM 1672 NH1 ARG A 114 -13.674 2.136 4.657 1.00 42.41 N ATOM 1673 NH2 ARG A 114 -14.881 1.626 6.552 1.00 53.13 N ATOM 0 H ARG A 114 -8.448 4.020 7.315 1.00 50.44 H new ATOM 0 HA ARG A 114 -9.362 6.001 7.331 1.00 3.11 H new ATOM 0 HB2 ARG A 114 -11.881 4.572 8.260 1.00 62.41 H new ATOM 0 HB3 ARG A 114 -11.832 6.252 7.765 1.00 62.41 H new ATOM 0 HG2 ARG A 114 -11.074 5.616 5.528 1.00 53.12 H new ATOM 0 HG3 ARG A 114 -10.973 3.933 6.007 1.00 53.12 H new ATOM 0 HD2 ARG A 114 -13.517 5.583 5.993 1.00 33.25 H new ATOM 0 HD3 ARG A 114 -13.027 4.488 4.715 1.00 33.25 H new ATOM 0 HE ARG A 114 -13.697 3.609 7.514 1.00 21.43 H new ATOM 0 HH11 ARG A 114 -12.995 2.728 4.179 1.00 42.41 H new ATOM 0 HH12 ARG A 114 -14.039 1.303 4.195 1.00 42.41 H new ATOM 0 HH21 ARG A 114 -15.128 1.824 7.522 1.00 53.13 H new ATOM 0 HH22 ARG A 114 -15.247 0.792 6.093 1.00 53.13 H new ATOM 1687 N GLU A 115 -8.849 5.530 10.237 1.00 34.44 N ATOM 1688 CA GLU A 115 -8.536 6.160 11.492 1.00 63.11 C ATOM 1689 C GLU A 115 -7.097 6.616 11.464 1.00 2.21 C ATOM 1690 O GLU A 115 -6.256 5.949 10.853 1.00 3.42 O ATOM 1691 CB GLU A 115 -8.697 5.212 12.673 1.00 53.13 C ATOM 1692 CG GLU A 115 -10.082 4.668 12.896 1.00 71.54 C ATOM 1693 CD GLU A 115 -10.185 4.047 14.255 1.00 62.43 C ATOM 1694 OE1 GLU A 115 -10.514 4.771 15.207 1.00 13.44 O ATOM 1695 OE2 GLU A 115 -9.906 2.848 14.418 1.00 3.42 O ATOM 0 H GLU A 115 -8.338 4.665 10.060 1.00 34.44 H new ATOM 0 HA GLU A 115 -9.228 6.993 11.619 1.00 63.11 H new ATOM 0 HB2 GLU A 115 -8.016 4.372 12.535 1.00 53.13 H new ATOM 0 HB3 GLU A 115 -8.382 5.733 13.577 1.00 53.13 H new ATOM 0 HG2 GLU A 115 -10.815 5.469 12.799 1.00 71.54 H new ATOM 0 HG3 GLU A 115 -10.316 3.927 12.132 1.00 71.54 H new ATOM 1702 N PRO A 116 -6.787 7.767 12.058 1.00 54.00 N ATOM 1703 CA PRO A 116 -5.409 8.200 12.212 1.00 25.12 C ATOM 1704 C PRO A 116 -4.684 7.210 13.105 1.00 34.11 C ATOM 1705 O PRO A 116 -5.115 6.942 14.235 1.00 73.20 O ATOM 1706 CB PRO A 116 -5.515 9.558 12.918 1.00 31.12 C ATOM 1707 CG PRO A 116 -6.921 9.990 12.715 1.00 61.03 C ATOM 1708 CD PRO A 116 -7.735 8.732 12.601 1.00 64.15 C ATOM 0 HA PRO A 116 -4.868 8.265 11.268 1.00 25.12 H new ATOM 0 HB2 PRO A 116 -5.279 9.471 13.978 1.00 31.12 H new ATOM 0 HB3 PRO A 116 -4.816 10.279 12.494 1.00 31.12 H new ATOM 0 HG2 PRO A 116 -7.264 10.601 13.549 1.00 61.03 H new ATOM 0 HG3 PRO A 116 -7.015 10.597 11.815 1.00 61.03 H new ATOM 0 HD2 PRO A 116 -8.122 8.414 13.569 1.00 64.15 H new ATOM 0 HD3 PRO A 116 -8.593 8.867 11.943 1.00 64.15 H new ATOM 1716 N ARG A 117 -3.628 6.655 12.610 1.00 70.33 N ATOM 1717 CA ARG A 117 -2.899 5.651 13.326 1.00 51.14 C ATOM 1718 C ARG A 117 -1.508 5.638 12.775 1.00 20.11 C ATOM 1719 O ARG A 117 -1.332 5.753 11.566 1.00 4.01 O ATOM 1720 CB ARG A 117 -3.587 4.281 13.129 1.00 22.10 C ATOM 1721 CG ARG A 117 -2.962 3.118 13.887 1.00 11.34 C ATOM 1722 CD ARG A 117 -2.998 3.320 15.398 1.00 31.45 C ATOM 1723 NE ARG A 117 -4.369 3.378 15.936 1.00 1.13 N ATOM 1724 CZ ARG A 117 -4.679 3.709 17.201 1.00 41.32 C ATOM 1725 NH1 ARG A 117 -3.728 4.123 18.037 1.00 73.21 N ATOM 1726 NH2 ARG A 117 -5.941 3.651 17.616 1.00 34.12 N ATOM 0 H ARG A 117 -3.241 6.883 11.694 1.00 70.33 H new ATOM 0 HA ARG A 117 -2.873 5.860 14.396 1.00 51.14 H new ATOM 0 HB2 ARG A 117 -4.630 4.371 13.433 1.00 22.10 H new ATOM 0 HB3 ARG A 117 -3.584 4.042 12.065 1.00 22.10 H new ATOM 0 HG2 ARG A 117 -3.489 2.198 13.634 1.00 11.34 H new ATOM 0 HG3 ARG A 117 -1.928 2.992 13.565 1.00 11.34 H new ATOM 0 HD2 ARG A 117 -2.457 2.506 15.881 1.00 31.45 H new ATOM 0 HD3 ARG A 117 -2.475 4.243 15.649 1.00 31.45 H new ATOM 0 HE ARG A 117 -5.136 3.151 15.304 1.00 1.13 H new ATOM 0 HH11 ARG A 117 -2.762 4.189 17.717 1.00 73.21 H new ATOM 0 HH12 ARG A 117 -3.966 4.374 18.997 1.00 73.21 H new ATOM 0 HH21 ARG A 117 -6.676 3.355 16.974 1.00 34.12 H new ATOM 0 HH22 ARG A 117 -6.174 3.903 18.577 1.00 34.12 H new ATOM 1740 N ASN A 118 -0.528 5.555 13.632 1.00 25.44 N ATOM 1741 CA ASN A 118 0.836 5.564 13.171 1.00 13.41 C ATOM 1742 C ASN A 118 1.342 4.150 12.980 1.00 72.11 C ATOM 1743 O ASN A 118 1.877 3.819 11.944 1.00 61.24 O ATOM 1744 CB ASN A 118 1.747 6.381 14.101 1.00 62.20 C ATOM 1745 CG ASN A 118 1.313 7.831 14.223 1.00 20.25 C ATOM 1746 OD1 ASN A 118 0.517 8.176 15.093 1.00 44.33 O ATOM 1747 ND2 ASN A 118 1.831 8.689 13.383 1.00 1.10 N ATOM 0 H ASN A 118 -0.644 5.481 14.643 1.00 25.44 H new ATOM 0 HA ASN A 118 0.861 6.060 12.201 1.00 13.41 H new ATOM 0 HB2 ASN A 118 1.753 5.924 15.090 1.00 62.20 H new ATOM 0 HB3 ASN A 118 2.770 6.343 13.726 1.00 62.20 H new ATOM 0 HD21 ASN A 118 1.577 9.675 13.439 1.00 1.10 H new ATOM 0 HD22 ASN A 118 2.489 8.372 12.671 1.00 1.10 H new ATOM 1754 N ALA A 119 1.156 3.304 13.956 1.00 33.31 N ATOM 1755 CA ALA A 119 1.562 1.935 13.796 1.00 74.24 C ATOM 1756 C ALA A 119 0.365 1.041 13.975 1.00 14.53 C ATOM 1757 O ALA A 119 -0.427 1.233 14.902 1.00 40.55 O ATOM 1758 CB ALA A 119 2.660 1.583 14.789 1.00 62.40 C ATOM 0 H ALA A 119 0.733 3.532 14.856 1.00 33.31 H new ATOM 0 HA ALA A 119 1.967 1.791 12.794 1.00 74.24 H new ATOM 0 HB1 ALA A 119 2.954 0.542 14.652 1.00 62.40 H new ATOM 0 HB2 ALA A 119 3.522 2.229 14.622 1.00 62.40 H new ATOM 0 HB3 ALA A 119 2.291 1.725 15.805 1.00 62.40 H new ATOM 1764 N GLN A 120 0.221 0.091 13.086 1.00 2.43 N ATOM 1765 CA GLN A 120 -0.897 -0.828 13.098 1.00 20.13 C ATOM 1766 C GLN A 120 -0.527 -2.138 12.419 1.00 65.43 C ATOM 1767 O GLN A 120 0.259 -2.140 11.470 1.00 71.45 O ATOM 1768 CB GLN A 120 -2.132 -0.201 12.412 1.00 74.34 C ATOM 1769 CG GLN A 120 -3.346 -1.132 12.317 1.00 33.51 C ATOM 1770 CD GLN A 120 -3.929 -1.542 13.664 1.00 54.24 C ATOM 1771 OE1 GLN A 120 -3.245 -1.591 14.685 1.00 13.30 O ATOM 1772 NE2 GLN A 120 -5.154 -1.930 13.650 1.00 11.31 N ATOM 0 H GLN A 120 0.881 -0.071 12.325 1.00 2.43 H new ATOM 0 HA GLN A 120 -1.148 -1.036 14.138 1.00 20.13 H new ATOM 0 HB2 GLN A 120 -2.420 0.696 12.960 1.00 74.34 H new ATOM 0 HB3 GLN A 120 -1.853 0.115 11.407 1.00 74.34 H new ATOM 0 HG2 GLN A 120 -4.123 -0.638 11.733 1.00 33.51 H new ATOM 0 HG3 GLN A 120 -3.059 -2.030 11.770 1.00 33.51 H new ATOM 0 HE21 GLN A 120 -5.696 -1.877 12.787 1.00 11.31 H new ATOM 0 HE22 GLN A 120 -5.584 -2.291 14.501 1.00 11.31 H new ATOM 1781 N VAL A 121 -1.051 -3.243 12.910 1.00 71.22 N ATOM 1782 CA VAL A 121 -0.883 -4.499 12.215 1.00 33.23 C ATOM 1783 C VAL A 121 -1.939 -4.525 11.121 1.00 60.23 C ATOM 1784 O VAL A 121 -3.122 -4.328 11.387 1.00 72.42 O ATOM 1785 CB VAL A 121 -1.021 -5.742 13.148 1.00 14.23 C ATOM 1786 CG1 VAL A 121 -0.908 -7.037 12.345 1.00 15.14 C ATOM 1787 CG2 VAL A 121 0.056 -5.714 14.214 1.00 65.13 C ATOM 0 H VAL A 121 -1.589 -3.296 13.775 1.00 71.22 H new ATOM 0 HA VAL A 121 0.127 -4.561 11.811 1.00 33.23 H new ATOM 0 HB VAL A 121 -2.003 -5.706 13.620 1.00 14.23 H new ATOM 0 HG11 VAL A 121 -1.007 -7.891 13.015 1.00 15.14 H new ATOM 0 HG12 VAL A 121 -1.699 -7.071 11.596 1.00 15.14 H new ATOM 0 HG13 VAL A 121 0.063 -7.075 11.850 1.00 15.14 H new ATOM 0 HG21 VAL A 121 -0.049 -6.586 14.860 1.00 65.13 H new ATOM 0 HG22 VAL A 121 1.037 -5.730 13.740 1.00 65.13 H new ATOM 0 HG23 VAL A 121 -0.045 -4.807 14.810 1.00 65.13 H new ATOM 1797 N MET A 122 -1.514 -4.730 9.927 1.00 40.54 N ATOM 1798 CA MET A 122 -2.367 -4.641 8.780 1.00 20.32 C ATOM 1799 C MET A 122 -2.828 -6.022 8.363 1.00 20.32 C ATOM 1800 O MET A 122 -2.023 -6.947 8.211 1.00 44.44 O ATOM 1801 CB MET A 122 -1.579 -3.961 7.663 1.00 62.12 C ATOM 1802 CG MET A 122 -2.287 -3.836 6.331 1.00 13.14 C ATOM 1803 SD MET A 122 -1.254 -3.005 5.096 1.00 41.05 S ATOM 1804 CE MET A 122 0.205 -4.046 5.093 1.00 53.21 C ATOM 0 H MET A 122 -0.547 -4.969 9.707 1.00 40.54 H new ATOM 0 HA MET A 122 -3.259 -4.057 9.008 1.00 20.32 H new ATOM 0 HB2 MET A 122 -1.300 -2.962 7.999 1.00 62.12 H new ATOM 0 HB3 MET A 122 -0.653 -4.516 7.509 1.00 62.12 H new ATOM 0 HG2 MET A 122 -2.559 -4.828 5.969 1.00 13.14 H new ATOM 0 HG3 MET A 122 -3.215 -3.279 6.463 1.00 13.14 H new ATOM 0 HE1 MET A 122 0.816 -3.814 4.221 1.00 53.21 H new ATOM 0 HE2 MET A 122 0.783 -3.865 5.999 1.00 53.21 H new ATOM 0 HE3 MET A 122 -0.095 -5.093 5.057 1.00 53.21 H new ATOM 1814 N GLN A 123 -4.105 -6.153 8.183 1.00 22.30 N ATOM 1815 CA GLN A 123 -4.713 -7.392 7.791 1.00 44.23 C ATOM 1816 C GLN A 123 -5.377 -7.177 6.433 1.00 62.21 C ATOM 1817 O GLN A 123 -5.659 -6.041 6.062 1.00 41.22 O ATOM 1818 CB GLN A 123 -5.710 -7.847 8.871 1.00 2.51 C ATOM 1819 CG GLN A 123 -5.067 -7.941 10.268 1.00 0.54 C ATOM 1820 CD GLN A 123 -6.019 -8.372 11.368 1.00 42.35 C ATOM 1821 OE1 GLN A 123 -6.951 -9.125 11.144 1.00 43.34 O ATOM 1822 NE2 GLN A 123 -5.793 -7.891 12.564 1.00 32.43 N ATOM 0 H GLN A 123 -4.769 -5.389 8.306 1.00 22.30 H new ATOM 0 HA GLN A 123 -3.974 -8.187 7.695 1.00 44.23 H new ATOM 0 HB2 GLN A 123 -6.546 -7.149 8.906 1.00 2.51 H new ATOM 0 HB3 GLN A 123 -6.118 -8.820 8.597 1.00 2.51 H new ATOM 0 HG2 GLN A 123 -4.237 -8.646 10.226 1.00 0.54 H new ATOM 0 HG3 GLN A 123 -4.647 -6.969 10.528 1.00 0.54 H new ATOM 0 HE21 GLN A 123 -5.005 -7.263 12.720 1.00 32.43 H new ATOM 0 HE22 GLN A 123 -6.405 -8.144 13.340 1.00 32.43 H new ATOM 1831 N THR A 124 -5.569 -8.239 5.675 1.00 73.13 N ATOM 1832 CA THR A 124 -6.099 -8.118 4.320 1.00 44.21 C ATOM 1833 C THR A 124 -7.519 -7.530 4.282 1.00 13.54 C ATOM 1834 O THR A 124 -8.405 -7.961 5.030 1.00 22.32 O ATOM 1835 CB THR A 124 -6.028 -9.458 3.533 1.00 41.42 C ATOM 1836 OG1 THR A 124 -6.488 -9.266 2.201 1.00 1.13 O ATOM 1837 CG2 THR A 124 -6.845 -10.552 4.189 1.00 21.30 C ATOM 0 H THR A 124 -5.368 -9.195 5.968 1.00 73.13 H new ATOM 0 HA THR A 124 -5.446 -7.406 3.816 1.00 44.21 H new ATOM 0 HB THR A 124 -4.984 -9.773 3.530 1.00 41.42 H new ATOM 0 HG1 THR A 124 -6.889 -10.097 1.871 1.00 1.13 H new ATOM 0 HG21 THR A 124 -6.764 -11.468 3.603 1.00 21.30 H new ATOM 0 HG22 THR A 124 -6.470 -10.732 5.197 1.00 21.30 H new ATOM 0 HG23 THR A 124 -7.890 -10.245 4.240 1.00 21.30 H new ATOM 1845 N GLY A 125 -7.721 -6.578 3.389 1.00 31.05 N ATOM 1846 CA GLY A 125 -8.987 -5.903 3.243 1.00 12.22 C ATOM 1847 C GLY A 125 -9.006 -4.550 3.921 1.00 32.21 C ATOM 1848 O GLY A 125 -10.015 -3.843 3.867 1.00 44.41 O ATOM 0 H GLY A 125 -7.002 -6.253 2.742 1.00 31.05 H new ATOM 0 HA2 GLY A 125 -9.208 -5.777 2.183 1.00 12.22 H new ATOM 0 HA3 GLY A 125 -9.777 -6.526 3.661 1.00 12.22 H new ATOM 1852 N ASP A 126 -7.899 -4.191 4.540 1.00 71.34 N ATOM 1853 CA ASP A 126 -7.768 -2.911 5.244 1.00 61.14 C ATOM 1854 C ASP A 126 -7.276 -1.836 4.270 1.00 70.34 C ATOM 1855 O ASP A 126 -6.602 -2.148 3.264 1.00 34.23 O ATOM 1856 CB ASP A 126 -6.804 -3.043 6.431 1.00 54.35 C ATOM 1857 CG ASP A 126 -6.873 -1.881 7.419 1.00 0.42 C ATOM 1858 OD1 ASP A 126 -7.610 -0.905 7.176 1.00 4.42 O ATOM 1859 OD2 ASP A 126 -6.214 -1.968 8.484 1.00 12.41 O ATOM 0 H ASP A 126 -7.061 -4.771 4.575 1.00 71.34 H new ATOM 0 HA ASP A 126 -8.744 -2.619 5.633 1.00 61.14 H new ATOM 0 HB2 ASP A 126 -7.021 -3.970 6.961 1.00 54.35 H new ATOM 0 HB3 ASP A 126 -5.785 -3.124 6.051 1.00 54.35 H new ATOM 1864 N GLU A 127 -7.614 -0.602 4.547 1.00 53.00 N ATOM 1865 CA GLU A 127 -7.281 0.501 3.690 1.00 43.55 C ATOM 1866 C GLU A 127 -6.428 1.542 4.410 1.00 41.14 C ATOM 1867 O GLU A 127 -6.777 2.046 5.486 1.00 23.10 O ATOM 1868 CB GLU A 127 -8.543 1.100 3.047 1.00 14.24 C ATOM 1869 CG GLU A 127 -9.656 1.504 4.009 1.00 4.34 C ATOM 1870 CD GLU A 127 -10.919 1.912 3.270 1.00 33.52 C ATOM 1871 OE1 GLU A 127 -11.516 1.064 2.587 1.00 44.45 O ATOM 1872 OE2 GLU A 127 -11.366 3.075 3.391 1.00 25.10 O ATOM 0 H GLU A 127 -8.133 -0.335 5.383 1.00 53.00 H new ATOM 0 HA GLU A 127 -6.663 0.121 2.876 1.00 43.55 H new ATOM 0 HB2 GLU A 127 -8.251 1.978 2.471 1.00 14.24 H new ATOM 0 HB3 GLU A 127 -8.946 0.374 2.340 1.00 14.24 H new ATOM 0 HG2 GLU A 127 -9.878 0.672 4.677 1.00 4.34 H new ATOM 0 HG3 GLU A 127 -9.316 2.331 4.632 1.00 4.34 H new ATOM 1879 N ILE A 128 -5.321 1.864 3.800 1.00 34.10 N ATOM 1880 CA ILE A 128 -4.356 2.783 4.350 1.00 71.22 C ATOM 1881 C ILE A 128 -4.385 4.051 3.521 1.00 74.23 C ATOM 1882 O ILE A 128 -4.310 4.001 2.296 1.00 35.32 O ATOM 1883 CB ILE A 128 -2.885 2.187 4.379 1.00 31.44 C ATOM 1884 CG1 ILE A 128 -2.750 0.960 5.325 1.00 13.11 C ATOM 1885 CG2 ILE A 128 -1.855 3.247 4.773 1.00 54.30 C ATOM 1886 CD1 ILE A 128 -3.444 -0.309 4.862 1.00 64.02 C ATOM 0 H ILE A 128 -5.057 1.489 2.889 1.00 34.10 H new ATOM 0 HA ILE A 128 -4.627 2.983 5.387 1.00 71.22 H new ATOM 0 HB ILE A 128 -2.685 1.851 3.361 1.00 31.44 H new ATOM 0 HG12 ILE A 128 -1.690 0.744 5.460 1.00 13.11 H new ATOM 0 HG13 ILE A 128 -3.147 1.233 6.303 1.00 13.11 H new ATOM 0 HG21 ILE A 128 -0.860 2.802 4.782 1.00 54.30 H new ATOM 0 HG22 ILE A 128 -1.880 4.064 4.052 1.00 54.30 H new ATOM 0 HG23 ILE A 128 -2.090 3.631 5.766 1.00 54.30 H new ATOM 0 HD11 ILE A 128 -3.285 -1.099 5.596 1.00 64.02 H new ATOM 0 HD12 ILE A 128 -4.513 -0.122 4.756 1.00 64.02 H new ATOM 0 HD13 ILE A 128 -3.033 -0.618 3.901 1.00 64.02 H new ATOM 1898 N GLN A 129 -4.506 5.164 4.168 1.00 74.42 N ATOM 1899 CA GLN A 129 -4.600 6.423 3.493 1.00 50.44 C ATOM 1900 C GLN A 129 -3.459 7.340 3.863 1.00 65.14 C ATOM 1901 O GLN A 129 -3.120 7.492 5.039 1.00 3.15 O ATOM 1902 CB GLN A 129 -5.977 7.077 3.706 1.00 3.10 C ATOM 1903 CG GLN A 129 -6.091 8.508 3.192 1.00 61.51 C ATOM 1904 CD GLN A 129 -7.502 9.034 3.238 1.00 53.02 C ATOM 1905 OE1 GLN A 129 -8.456 8.285 3.086 1.00 24.40 O ATOM 1906 NE2 GLN A 129 -7.647 10.303 3.470 1.00 71.30 N ATOM 0 H GLN A 129 -4.543 5.229 5.185 1.00 74.42 H new ATOM 0 HA GLN A 129 -4.508 6.232 2.424 1.00 50.44 H new ATOM 0 HB2 GLN A 129 -6.734 6.467 3.212 1.00 3.10 H new ATOM 0 HB3 GLN A 129 -6.207 7.069 4.772 1.00 3.10 H new ATOM 0 HG2 GLN A 129 -5.447 9.155 3.787 1.00 61.51 H new ATOM 0 HG3 GLN A 129 -5.725 8.551 2.166 1.00 61.51 H new ATOM 0 HE21 GLN A 129 -6.826 10.896 3.591 1.00 71.30 H new ATOM 0 HE22 GLN A 129 -8.582 10.707 3.531 1.00 71.30 H new ATOM 1915 N ILE A 130 -2.863 7.916 2.856 1.00 32.31 N ATOM 1916 CA ILE A 130 -1.791 8.842 3.020 1.00 5.05 C ATOM 1917 C ILE A 130 -2.355 10.193 2.664 1.00 71.15 C ATOM 1918 O ILE A 130 -2.608 10.488 1.478 1.00 14.44 O ATOM 1919 CB ILE A 130 -0.554 8.548 2.071 1.00 32.14 C ATOM 1920 CG1 ILE A 130 0.099 7.160 2.318 1.00 21.33 C ATOM 1921 CG2 ILE A 130 0.508 9.639 2.200 1.00 74.22 C ATOM 1922 CD1 ILE A 130 -0.709 5.961 1.872 1.00 30.43 C ATOM 0 H ILE A 130 -3.118 7.748 1.883 1.00 32.31 H new ATOM 0 HA ILE A 130 -1.418 8.775 4.042 1.00 5.05 H new ATOM 0 HB ILE A 130 -0.958 8.541 1.059 1.00 32.14 H new ATOM 0 HG12 ILE A 130 1.061 7.136 1.806 1.00 21.33 H new ATOM 0 HG13 ILE A 130 0.303 7.060 3.384 1.00 21.33 H new ATOM 0 HG21 ILE A 130 1.344 9.413 1.539 1.00 74.22 H new ATOM 0 HG22 ILE A 130 0.077 10.601 1.923 1.00 74.22 H new ATOM 0 HG23 ILE A 130 0.861 9.683 3.230 1.00 74.22 H new ATOM 0 HD11 ILE A 130 -0.157 5.048 2.093 1.00 30.43 H new ATOM 0 HD12 ILE A 130 -1.662 5.947 2.402 1.00 30.43 H new ATOM 0 HD13 ILE A 130 -0.891 6.024 0.799 1.00 30.43 H new ATOM 1934 N GLY A 131 -2.628 10.974 3.678 1.00 73.20 N ATOM 1935 CA GLY A 131 -3.164 12.279 3.498 1.00 75.05 C ATOM 1936 C GLY A 131 -4.575 12.263 2.985 1.00 44.31 C ATOM 1937 O GLY A 131 -5.528 12.115 3.747 1.00 21.14 O ATOM 0 H GLY A 131 -2.480 10.712 4.653 1.00 73.20 H new ATOM 0 HA2 GLY A 131 -3.134 12.813 4.448 1.00 75.05 H new ATOM 0 HA3 GLY A 131 -2.535 12.832 2.801 1.00 75.05 H new ATOM 1941 N LYS A 132 -4.705 12.342 1.690 1.00 42.24 N ATOM 1942 CA LYS A 132 -5.998 12.441 1.069 1.00 45.14 C ATOM 1943 C LYS A 132 -6.241 11.315 0.056 1.00 25.42 C ATOM 1944 O LYS A 132 -7.270 11.289 -0.610 1.00 51.14 O ATOM 1945 CB LYS A 132 -6.142 13.820 0.404 1.00 25.41 C ATOM 1946 CG LYS A 132 -5.130 14.091 -0.709 1.00 63.50 C ATOM 1947 CD LYS A 132 -5.219 15.523 -1.255 1.00 11.34 C ATOM 1948 CE LYS A 132 -4.475 16.569 -0.391 1.00 14.13 C ATOM 1949 NZ LYS A 132 -4.986 16.723 0.997 1.00 52.43 N ATOM 0 H LYS A 132 -3.922 12.340 1.037 1.00 42.24 H new ATOM 0 HA LYS A 132 -6.757 12.331 1.844 1.00 45.14 H new ATOM 0 HB2 LYS A 132 -7.148 13.909 -0.006 1.00 25.41 H new ATOM 0 HB3 LYS A 132 -6.040 14.591 1.168 1.00 25.41 H new ATOM 0 HG2 LYS A 132 -4.123 13.913 -0.331 1.00 63.50 H new ATOM 0 HG3 LYS A 132 -5.294 13.385 -1.523 1.00 63.50 H new ATOM 0 HD2 LYS A 132 -4.810 15.543 -2.265 1.00 11.34 H new ATOM 0 HD3 LYS A 132 -6.268 15.808 -1.331 1.00 11.34 H new ATOM 0 HE2 LYS A 132 -3.421 16.295 -0.345 1.00 14.13 H new ATOM 0 HE3 LYS A 132 -4.531 17.536 -0.891 1.00 14.13 H new ATOM 0 HZ1 LYS A 132 -4.665 17.632 1.386 1.00 52.43 H new ATOM 0 HZ2 LYS A 132 -6.026 16.697 0.989 1.00 52.43 H new ATOM 0 HZ3 LYS A 132 -4.625 15.947 1.588 1.00 52.43 H new ATOM 1963 N PHE A 133 -5.313 10.382 -0.065 1.00 24.01 N ATOM 1964 CA PHE A 133 -5.487 9.303 -1.007 1.00 74.24 C ATOM 1965 C PHE A 133 -5.205 7.948 -0.367 1.00 74.25 C ATOM 1966 O PHE A 133 -4.297 7.825 0.456 1.00 51.33 O ATOM 1967 CB PHE A 133 -4.700 9.546 -2.302 1.00 14.51 C ATOM 1968 CG PHE A 133 -3.200 9.724 -2.201 1.00 72.43 C ATOM 1969 CD1 PHE A 133 -2.648 10.959 -1.899 1.00 14.55 C ATOM 1970 CD2 PHE A 133 -2.347 8.662 -2.463 1.00 54.15 C ATOM 1971 CE1 PHE A 133 -1.275 11.128 -1.855 1.00 62.42 C ATOM 1972 CE2 PHE A 133 -0.978 8.830 -2.432 1.00 42.31 C ATOM 1973 CZ PHE A 133 -0.437 10.061 -2.125 1.00 50.14 C ATOM 0 H PHE A 133 -4.445 10.353 0.471 1.00 24.01 H new ATOM 0 HA PHE A 133 -6.537 9.281 -1.300 1.00 74.24 H new ATOM 0 HB2 PHE A 133 -4.892 8.708 -2.971 1.00 14.51 H new ATOM 0 HB3 PHE A 133 -5.110 10.436 -2.780 1.00 14.51 H new ATOM 0 HD1 PHE A 133 -3.296 11.799 -1.696 1.00 14.55 H new ATOM 0 HD2 PHE A 133 -2.760 7.691 -2.694 1.00 54.15 H new ATOM 0 HE1 PHE A 133 -0.858 12.093 -1.610 1.00 62.42 H new ATOM 0 HE2 PHE A 133 -0.328 7.995 -2.649 1.00 42.31 H new ATOM 0 HZ PHE A 133 0.635 10.191 -2.096 1.00 50.14 H new ATOM 1983 N ARG A 134 -5.988 6.933 -0.732 1.00 61.10 N ATOM 1984 CA ARG A 134 -5.919 5.653 -0.043 1.00 30.14 C ATOM 1985 C ARG A 134 -5.604 4.464 -0.943 1.00 21.23 C ATOM 1986 O ARG A 134 -5.935 4.437 -2.144 1.00 34.14 O ATOM 1987 CB ARG A 134 -7.188 5.388 0.781 1.00 54.24 C ATOM 1988 CG ARG A 134 -8.447 5.103 -0.021 1.00 73.41 C ATOM 1989 CD ARG A 134 -9.651 4.977 0.902 1.00 51.33 C ATOM 1990 NE ARG A 134 -9.930 6.245 1.592 1.00 60.32 N ATOM 1991 CZ ARG A 134 -11.059 6.542 2.235 1.00 61.13 C ATOM 1992 NH1 ARG A 134 -11.905 5.586 2.595 1.00 50.44 N ATOM 1993 NH2 ARG A 134 -11.269 7.782 2.634 1.00 44.54 N ATOM 0 H ARG A 134 -6.668 6.974 -1.491 1.00 61.10 H new ATOM 0 HA ARG A 134 -5.067 5.746 0.631 1.00 30.14 H new ATOM 0 HB2 ARG A 134 -7.000 4.541 1.441 1.00 54.24 H new ATOM 0 HB3 ARG A 134 -7.373 6.253 1.418 1.00 54.24 H new ATOM 0 HG2 ARG A 134 -8.616 5.904 -0.741 1.00 73.41 H new ATOM 0 HG3 ARG A 134 -8.321 4.183 -0.592 1.00 73.41 H new ATOM 0 HD2 ARG A 134 -10.525 4.675 0.324 1.00 51.33 H new ATOM 0 HD3 ARG A 134 -9.468 4.193 1.637 1.00 51.33 H new ATOM 0 HE ARG A 134 -9.199 6.956 1.577 1.00 60.32 H new ATOM 0 HH11 ARG A 134 -11.695 4.611 2.380 1.00 50.44 H new ATOM 0 HH12 ARG A 134 -12.766 5.825 3.087 1.00 50.44 H new ATOM 0 HH21 ARG A 134 -10.571 8.502 2.449 1.00 44.54 H new ATOM 0 HH22 ARG A 134 -12.130 8.020 3.127 1.00 44.54 H new ATOM 2007 N LEU A 135 -4.947 3.510 -0.340 1.00 1.20 N ATOM 2008 CA LEU A 135 -4.553 2.259 -0.934 1.00 72.32 C ATOM 2009 C LEU A 135 -5.256 1.147 -0.174 1.00 45.24 C ATOM 2010 O LEU A 135 -5.393 1.232 1.048 1.00 24.13 O ATOM 2011 CB LEU A 135 -3.020 2.027 -0.827 1.00 14.14 C ATOM 2012 CG LEU A 135 -2.065 2.955 -1.612 1.00 52.43 C ATOM 2013 CD1 LEU A 135 -2.070 4.383 -1.091 1.00 1.13 C ATOM 2014 CD2 LEU A 135 -0.659 2.389 -1.599 1.00 4.34 C ATOM 0 H LEU A 135 -4.655 3.589 0.634 1.00 1.20 H new ATOM 0 HA LEU A 135 -4.822 2.272 -1.990 1.00 72.32 H new ATOM 0 HB2 LEU A 135 -2.750 2.093 0.227 1.00 14.14 H new ATOM 0 HB3 LEU A 135 -2.819 1.004 -1.144 1.00 14.14 H new ATOM 0 HG LEU A 135 -2.431 2.996 -2.638 1.00 52.43 H new ATOM 0 HD11 LEU A 135 -1.381 4.988 -1.681 1.00 1.13 H new ATOM 0 HD12 LEU A 135 -3.075 4.796 -1.171 1.00 1.13 H new ATOM 0 HD13 LEU A 135 -1.757 4.390 -0.047 1.00 1.13 H new ATOM 0 HD21 LEU A 135 0.005 3.051 -2.155 1.00 4.34 H new ATOM 0 HD22 LEU A 135 -0.310 2.306 -0.570 1.00 4.34 H new ATOM 0 HD23 LEU A 135 -0.660 1.403 -2.063 1.00 4.34 H new ATOM 2026 N VAL A 136 -5.709 0.137 -0.863 1.00 11.22 N ATOM 2027 CA VAL A 136 -6.364 -0.976 -0.206 1.00 0.01 C ATOM 2028 C VAL A 136 -5.467 -2.191 -0.319 1.00 3.41 C ATOM 2029 O VAL A 136 -4.931 -2.489 -1.399 1.00 73.41 O ATOM 2030 CB VAL A 136 -7.784 -1.279 -0.791 1.00 71.33 C ATOM 2031 CG1 VAL A 136 -8.425 -2.476 -0.087 1.00 5.52 C ATOM 2032 CG2 VAL A 136 -8.687 -0.069 -0.639 1.00 41.42 C ATOM 0 H VAL A 136 -5.640 0.055 -1.877 1.00 11.22 H new ATOM 0 HA VAL A 136 -6.523 -0.712 0.840 1.00 0.01 H new ATOM 0 HB VAL A 136 -7.663 -1.515 -1.848 1.00 71.33 H new ATOM 0 HG11 VAL A 136 -9.410 -2.664 -0.513 1.00 5.52 H new ATOM 0 HG12 VAL A 136 -7.797 -3.357 -0.222 1.00 5.52 H new ATOM 0 HG13 VAL A 136 -8.525 -2.262 0.977 1.00 5.52 H new ATOM 0 HG21 VAL A 136 -9.671 -0.295 -1.050 1.00 41.42 H new ATOM 0 HG22 VAL A 136 -8.784 0.182 0.417 1.00 41.42 H new ATOM 0 HG23 VAL A 136 -8.255 0.777 -1.175 1.00 41.42 H new ATOM 2042 N PHE A 137 -5.271 -2.839 0.789 1.00 30.32 N ATOM 2043 CA PHE A 137 -4.383 -3.962 0.910 1.00 34.51 C ATOM 2044 C PHE A 137 -5.144 -5.278 0.761 1.00 13.50 C ATOM 2045 O PHE A 137 -6.065 -5.553 1.522 1.00 42.13 O ATOM 2046 CB PHE A 137 -3.703 -3.867 2.277 1.00 32.30 C ATOM 2047 CG PHE A 137 -2.854 -5.030 2.659 1.00 25.22 C ATOM 2048 CD1 PHE A 137 -1.621 -5.228 2.078 1.00 75.02 C ATOM 2049 CD2 PHE A 137 -3.285 -5.911 3.633 1.00 13.13 C ATOM 2050 CE1 PHE A 137 -0.837 -6.285 2.459 1.00 22.45 C ATOM 2051 CE2 PHE A 137 -2.509 -6.974 4.015 1.00 64.31 C ATOM 2052 CZ PHE A 137 -1.283 -7.161 3.432 1.00 65.24 C ATOM 0 H PHE A 137 -5.738 -2.596 1.663 1.00 30.32 H new ATOM 0 HA PHE A 137 -3.635 -3.942 0.117 1.00 34.51 H new ATOM 0 HB2 PHE A 137 -3.085 -2.969 2.293 1.00 32.30 H new ATOM 0 HB3 PHE A 137 -4.473 -3.738 3.037 1.00 32.30 H new ATOM 0 HD1 PHE A 137 -1.270 -4.546 1.318 1.00 75.02 H new ATOM 0 HD2 PHE A 137 -4.247 -5.759 4.100 1.00 13.13 H new ATOM 0 HE1 PHE A 137 0.129 -6.434 2.000 1.00 22.45 H new ATOM 0 HE2 PHE A 137 -2.862 -7.660 4.771 1.00 64.31 H new ATOM 0 HZ PHE A 137 -0.664 -7.994 3.733 1.00 65.24 H new ATOM 2062 N LEU A 138 -4.750 -6.082 -0.202 1.00 43.00 N ATOM 2063 CA LEU A 138 -5.382 -7.364 -0.449 1.00 31.33 C ATOM 2064 C LEU A 138 -4.340 -8.461 -0.452 1.00 22.11 C ATOM 2065 O LEU A 138 -3.281 -8.330 -1.058 1.00 13.22 O ATOM 2066 CB LEU A 138 -6.153 -7.421 -1.798 1.00 24.11 C ATOM 2067 CG LEU A 138 -7.395 -6.522 -1.987 1.00 52.54 C ATOM 2068 CD1 LEU A 138 -8.375 -6.642 -0.830 1.00 14.14 C ATOM 2069 CD2 LEU A 138 -7.025 -5.076 -2.279 1.00 33.20 C ATOM 0 H LEU A 138 -3.982 -5.867 -0.838 1.00 43.00 H new ATOM 0 HA LEU A 138 -6.105 -7.504 0.355 1.00 31.33 H new ATOM 0 HB2 LEU A 138 -5.447 -7.178 -2.592 1.00 24.11 H new ATOM 0 HB3 LEU A 138 -6.466 -8.453 -1.955 1.00 24.11 H new ATOM 0 HG LEU A 138 -7.911 -6.893 -2.872 1.00 52.54 H new ATOM 0 HD11 LEU A 138 -9.231 -5.991 -1.009 1.00 14.14 H new ATOM 0 HD12 LEU A 138 -8.715 -7.674 -0.747 1.00 14.14 H new ATOM 0 HD13 LEU A 138 -7.882 -6.347 0.096 1.00 14.14 H new ATOM 0 HD21 LEU A 138 -7.933 -4.486 -2.404 1.00 33.20 H new ATOM 0 HD22 LEU A 138 -6.443 -4.675 -1.450 1.00 33.20 H new ATOM 0 HD23 LEU A 138 -6.434 -5.029 -3.194 1.00 33.20 H new ATOM 2081 N ALA A 139 -4.622 -9.516 0.228 1.00 3.14 N ATOM 2082 CA ALA A 139 -3.756 -10.655 0.223 1.00 23.21 C ATOM 2083 C ALA A 139 -4.059 -11.488 -0.991 1.00 54.45 C ATOM 2084 O ALA A 139 -5.207 -11.504 -1.471 1.00 42.33 O ATOM 2085 CB ALA A 139 -3.918 -11.482 1.491 1.00 52.24 C ATOM 0 H ALA A 139 -5.457 -9.620 0.805 1.00 3.14 H new ATOM 0 HA ALA A 139 -2.721 -10.314 0.190 1.00 23.21 H new ATOM 0 HB1 ALA A 139 -3.246 -12.339 1.455 1.00 52.24 H new ATOM 0 HB2 ALA A 139 -3.677 -10.868 2.359 1.00 52.24 H new ATOM 0 HB3 ALA A 139 -4.948 -11.831 1.569 1.00 52.24 H new ATOM 2091 N GLY A 140 -3.053 -12.141 -1.500 1.00 62.51 N ATOM 2092 CA GLY A 140 -3.225 -12.986 -2.634 1.00 53.13 C ATOM 2093 C GLY A 140 -4.036 -14.199 -2.265 1.00 64.24 C ATOM 2094 O GLY A 140 -3.746 -14.835 -1.236 1.00 72.34 O ATOM 0 H GLY A 140 -2.100 -12.100 -1.140 1.00 62.51 H new ATOM 0 HA2 GLY A 140 -3.723 -12.437 -3.433 1.00 53.13 H new ATOM 0 HA3 GLY A 140 -2.252 -13.294 -3.017 1.00 53.13 H new ATOM 2098 N PRO A 141 -5.084 -14.519 -3.036 1.00 12.41 N ATOM 2099 CA PRO A 141 -5.936 -15.671 -2.776 1.00 22.32 C ATOM 2100 C PRO A 141 -5.188 -16.976 -2.993 1.00 4.31 C ATOM 2101 O PRO A 141 -4.141 -17.000 -3.659 1.00 63.13 O ATOM 2102 CB PRO A 141 -7.077 -15.528 -3.790 1.00 13.41 C ATOM 2103 CG PRO A 141 -6.509 -14.701 -4.883 1.00 24.44 C ATOM 2104 CD PRO A 141 -5.520 -13.777 -4.236 1.00 61.31 C ATOM 0 HA PRO A 141 -6.286 -15.698 -1.744 1.00 22.32 H new ATOM 0 HB2 PRO A 141 -7.404 -16.501 -4.158 1.00 13.41 H new ATOM 0 HB3 PRO A 141 -7.947 -15.048 -3.342 1.00 13.41 H new ATOM 0 HG2 PRO A 141 -6.025 -15.326 -5.633 1.00 24.44 H new ATOM 0 HG3 PRO A 141 -7.291 -14.139 -5.393 1.00 24.44 H new ATOM 0 HD2 PRO A 141 -4.682 -13.559 -4.899 1.00 61.31 H new ATOM 0 HD3 PRO A 141 -5.976 -12.822 -3.973 1.00 61.31 H new ATOM 2112 N ALA A 142 -5.730 -18.055 -2.456 1.00 12.21 N ATOM 2113 CA ALA A 142 -5.124 -19.387 -2.531 1.00 62.02 C ATOM 2114 C ALA A 142 -5.349 -20.011 -3.918 1.00 14.21 C ATOM 2115 O ALA A 142 -5.846 -21.136 -4.059 1.00 41.51 O ATOM 2116 CB ALA A 142 -5.695 -20.277 -1.433 1.00 34.02 C ATOM 0 H ALA A 142 -6.614 -18.038 -1.948 1.00 12.21 H new ATOM 0 HA ALA A 142 -4.048 -19.294 -2.381 1.00 62.02 H new ATOM 0 HB1 ALA A 142 -5.241 -21.266 -1.493 1.00 34.02 H new ATOM 0 HB2 ALA A 142 -5.479 -19.837 -0.459 1.00 34.02 H new ATOM 0 HB3 ALA A 142 -6.774 -20.365 -1.560 1.00 34.02 H new ATOM 2122 N GLU A 143 -4.998 -19.262 -4.905 1.00 53.03 N ATOM 2123 CA GLU A 143 -5.112 -19.625 -6.286 1.00 14.25 C ATOM 2124 C GLU A 143 -3.689 -19.658 -6.816 1.00 34.15 C ATOM 2125 O GLU A 143 -3.116 -20.751 -6.960 1.00 36.92 O ATOM 2126 CB GLU A 143 -5.969 -18.548 -6.997 1.00 41.44 C ATOM 2127 CG GLU A 143 -6.495 -18.871 -8.405 1.00 34.22 C ATOM 2128 CD GLU A 143 -5.449 -18.964 -9.490 1.00 21.22 C ATOM 2129 OE1 GLU A 143 -4.767 -17.953 -9.777 1.00 54.21 O ATOM 2130 OE2 GLU A 143 -5.362 -20.024 -10.140 1.00 53.40 O ATOM 2131 OXT GLU A 143 -3.084 -18.582 -6.947 1.00 36.92 O ATOM 0 H GLU A 143 -4.603 -18.331 -4.770 1.00 53.03 H new ATOM 0 HA GLU A 143 -5.594 -20.589 -6.448 1.00 14.25 H new ATOM 0 HB2 GLU A 143 -6.826 -18.327 -6.361 1.00 41.44 H new ATOM 0 HB3 GLU A 143 -5.376 -17.636 -7.061 1.00 41.44 H new ATOM 0 HG2 GLU A 143 -7.034 -19.818 -8.363 1.00 34.22 H new ATOM 0 HG3 GLU A 143 -7.218 -18.105 -8.687 1.00 34.22 H new