USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 952 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 HIS : no HD1:sc= -1.56 K(o=-0.83,f=-4.3!) USER MOD Set 1.2: A 110 THR OG1 : rot -22:sc= 0.729 USER MOD Set 2.1: A 26 MET CE :methyl 163:sc= -0.0819 (180deg=-0.476) USER MOD Set 2.2: A 29 SER OG : rot -176:sc= 0.845 USER MOD Set 2.3: A 129 GLN : amide:sc= 0.828 K(o=1.6,f=-0.38) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= 1.27 (180deg=1.08) USER MOD Single : A 28 SER OG : rot 180:sc= 0.957 USER MOD Single : A 30 THR OG1 : rot 70:sc= 0.798 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 90:sc= -1.07 USER MOD Single : A 37 THR OG1 : rot -154:sc= 1.26 USER MOD Single : A 41 ASN : amide:sc= -2.44! C(o=-2.4!,f=-7.1!) 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= -0.17 K(o=-0.17,f=-5.1!) USER MOD Single : A 65 GLN : amide:sc= -1.27! K(o=-1.3!,f=-0.019) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -93:sc= 1.21 USER MOD Single : A 73 HIS : no HE2:sc= 0.619 K(o=0.62,f=-2!) USER MOD Single : A 76 SER OG : rot 130:sc= 0.28 USER MOD Single : A 84 THR OG1 : rot 150:sc= 0.308 USER MOD Single : A 86 SER OG : rot 180:sc= -0.778 USER MOD Single : A 95 ASN : amide:sc= 0.526 K(o=0.53,f=-0.53) USER MOD Single : A 106 SER OG : rot 17:sc= 0.859 USER MOD Single : A 108 ASN : amide:sc= -2! K(o=-2!,f=-1.3) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.22 K(o=1.2,f=-0.17) USER MOD Single : A 118 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.74) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 122 MET CE :methyl -105:sc= -2.22 (180deg=-4.4!) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 124 THR OG1 : rot -170:sc= 0.413 USER MOD Single : A 132 LYS NZ :NH3+ 134:sc= 1.26 (180deg=0.924) USER MOD ----------------------------------------------------------------- ATOM 214 N SER A 16 6.289 17.832 6.170 1.00 52.42 N ATOM 215 CA SER A 16 5.412 18.978 6.186 1.00 42.21 C ATOM 216 C SER A 16 3.979 18.535 6.467 1.00 73.22 C ATOM 217 O SER A 16 3.421 17.722 5.732 1.00 14.01 O ATOM 218 CB SER A 16 5.506 19.726 4.844 1.00 3.42 C ATOM 219 OG SER A 16 4.746 20.925 4.853 1.00 14.04 O ATOM 0 HA SER A 16 5.719 19.658 6.980 1.00 42.21 H new ATOM 0 HB2 SER A 16 6.549 19.959 4.630 1.00 3.42 H new ATOM 0 HB3 SER A 16 5.153 19.078 4.042 1.00 3.42 H new ATOM 0 HG SER A 16 4.831 21.373 3.986 1.00 14.04 H new ATOM 225 N VAL A 17 3.407 19.049 7.535 1.00 61.54 N ATOM 226 CA VAL A 17 2.055 18.705 7.922 1.00 42.23 C ATOM 227 C VAL A 17 1.075 19.630 7.207 1.00 4.41 C ATOM 228 O VAL A 17 1.179 20.865 7.315 1.00 1.12 O ATOM 229 CB VAL A 17 1.859 18.813 9.462 1.00 13.50 C ATOM 230 CG1 VAL A 17 0.462 18.376 9.865 1.00 25.14 C ATOM 231 CG2 VAL A 17 2.902 17.987 10.203 1.00 31.50 C ATOM 0 H VAL A 17 3.864 19.715 8.158 1.00 61.54 H new ATOM 0 HA VAL A 17 1.868 17.670 7.635 1.00 42.23 H new ATOM 0 HB VAL A 17 1.986 19.860 9.738 1.00 13.50 H new ATOM 0 HG11 VAL A 17 0.352 18.461 10.946 1.00 25.14 H new ATOM 0 HG12 VAL A 17 -0.274 19.012 9.374 1.00 25.14 H new ATOM 0 HG13 VAL A 17 0.304 17.340 9.565 1.00 25.14 H new ATOM 0 HG21 VAL A 17 2.743 18.079 11.277 1.00 31.50 H new ATOM 0 HG22 VAL A 17 2.812 16.941 9.912 1.00 31.50 H new ATOM 0 HG23 VAL A 17 3.899 18.349 9.951 1.00 31.50 H new ATOM 241 N PHE A 18 0.163 19.058 6.459 1.00 21.24 N ATOM 242 CA PHE A 18 -0.790 19.840 5.712 1.00 21.23 C ATOM 243 C PHE A 18 -2.224 19.467 6.058 1.00 51.20 C ATOM 244 O PHE A 18 -2.583 18.303 6.064 1.00 41.52 O ATOM 245 CB PHE A 18 -0.537 19.736 4.187 1.00 44.43 C ATOM 246 CG PHE A 18 -0.654 18.348 3.583 1.00 32.15 C ATOM 247 CD1 PHE A 18 0.394 17.444 3.667 1.00 61.43 C ATOM 248 CD2 PHE A 18 -1.809 17.963 2.916 1.00 52.13 C ATOM 249 CE1 PHE A 18 0.289 16.188 3.103 1.00 13.35 C ATOM 250 CE2 PHE A 18 -1.917 16.708 2.352 1.00 24.25 C ATOM 251 CZ PHE A 18 -0.866 15.820 2.446 1.00 74.53 C ATOM 0 H PHE A 18 0.061 18.049 6.352 1.00 21.24 H new ATOM 0 HA PHE A 18 -0.646 20.881 6.003 1.00 21.23 H new ATOM 0 HB2 PHE A 18 -1.242 20.393 3.677 1.00 44.43 H new ATOM 0 HB3 PHE A 18 0.462 20.118 3.978 1.00 44.43 H new ATOM 0 HD1 PHE A 18 1.302 17.725 4.179 1.00 61.43 H new ATOM 0 HD2 PHE A 18 -2.634 18.655 2.837 1.00 52.13 H new ATOM 0 HE1 PHE A 18 1.112 15.493 3.177 1.00 13.35 H new ATOM 0 HE2 PHE A 18 -2.823 16.422 1.838 1.00 24.25 H new ATOM 0 HZ PHE A 18 -0.948 14.837 2.005 1.00 74.53 H new ATOM 261 N ARG A 19 -3.019 20.459 6.371 1.00 21.11 N ATOM 262 CA ARG A 19 -4.444 20.273 6.618 1.00 10.15 C ATOM 263 C ARG A 19 -5.142 20.603 5.327 1.00 75.13 C ATOM 264 O ARG A 19 -5.066 21.754 4.857 1.00 52.22 O ATOM 265 CB ARG A 19 -4.964 21.200 7.741 1.00 34.43 C ATOM 266 CG ARG A 19 -4.631 20.792 9.187 1.00 23.02 C ATOM 267 CD ARG A 19 -3.145 20.615 9.427 1.00 12.13 C ATOM 268 NE ARG A 19 -2.831 20.411 10.840 1.00 44.42 N ATOM 269 CZ ARG A 19 -2.605 19.228 11.428 1.00 34.23 C ATOM 270 NH1 ARG A 19 -2.839 18.092 10.782 1.00 74.24 N ATOM 271 NH2 ARG A 19 -2.153 19.188 12.671 1.00 11.44 N ATOM 0 H ARG A 19 -2.704 21.425 6.464 1.00 21.11 H new ATOM 0 HA ARG A 19 -4.635 19.250 6.944 1.00 10.15 H new ATOM 0 HB2 ARG A 19 -4.564 22.199 7.569 1.00 34.43 H new ATOM 0 HB3 ARG A 19 -6.048 21.270 7.649 1.00 34.43 H new ATOM 0 HG2 ARG A 19 -5.016 21.550 9.870 1.00 23.02 H new ATOM 0 HG3 ARG A 19 -5.145 19.860 9.423 1.00 23.02 H new ATOM 0 HD2 ARG A 19 -2.785 19.763 8.851 1.00 12.13 H new ATOM 0 HD3 ARG A 19 -2.613 21.494 9.062 1.00 12.13 H new ATOM 0 HE ARG A 19 -2.779 21.241 11.430 1.00 44.42 H new ATOM 0 HH11 ARG A 19 -3.195 18.113 9.826 1.00 74.24 H new ATOM 0 HH12 ARG A 19 -2.663 17.198 11.241 1.00 74.24 H new ATOM 0 HH21 ARG A 19 -1.978 20.055 13.178 1.00 11.44 H new ATOM 0 HH22 ARG A 19 -1.980 18.290 13.122 1.00 11.44 H new ATOM 285 N ALA A 20 -5.794 19.644 4.725 1.00 13.42 N ATOM 286 CA ALA A 20 -6.322 19.865 3.401 1.00 73.24 C ATOM 287 C ALA A 20 -7.594 19.074 3.119 1.00 11.24 C ATOM 288 O ALA A 20 -8.195 18.480 4.017 1.00 23.34 O ATOM 289 CB ALA A 20 -5.243 19.529 2.379 1.00 61.24 C ATOM 0 H ALA A 20 -5.971 18.720 5.118 1.00 13.42 H new ATOM 0 HA ALA A 20 -6.604 20.915 3.328 1.00 73.24 H new ATOM 0 HB1 ALA A 20 -5.631 19.692 1.373 1.00 61.24 H new ATOM 0 HB2 ALA A 20 -4.376 20.169 2.542 1.00 61.24 H new ATOM 0 HB3 ALA A 20 -4.950 18.485 2.490 1.00 61.24 H new ATOM 295 N ASP A 21 -7.940 19.041 1.837 1.00 15.13 N ATOM 296 CA ASP A 21 -9.153 18.436 1.265 1.00 73.04 C ATOM 297 C ASP A 21 -9.369 16.959 1.615 1.00 13.42 C ATOM 298 O ASP A 21 -10.483 16.443 1.452 1.00 13.54 O ATOM 299 CB ASP A 21 -9.141 18.607 -0.261 1.00 11.10 C ATOM 300 CG ASP A 21 -7.913 17.996 -0.926 1.00 62.23 C ATOM 301 OD1 ASP A 21 -6.871 18.694 -1.046 1.00 12.30 O ATOM 302 OD2 ASP A 21 -7.957 16.826 -1.344 1.00 32.12 O ATOM 0 H ASP A 21 -7.349 19.460 1.119 1.00 15.13 H new ATOM 0 HA ASP A 21 -9.988 18.968 1.720 1.00 73.04 H new ATOM 0 HB2 ASP A 21 -10.038 18.149 -0.678 1.00 11.10 H new ATOM 0 HB3 ASP A 21 -9.185 19.669 -0.501 1.00 11.10 H new ATOM 307 N LEU A 22 -8.350 16.287 2.130 1.00 54.24 N ATOM 308 CA LEU A 22 -8.479 14.870 2.463 1.00 33.41 C ATOM 309 C LEU A 22 -9.493 14.642 3.578 1.00 73.44 C ATOM 310 O LEU A 22 -10.055 13.571 3.682 1.00 34.50 O ATOM 311 CB LEU A 22 -7.149 14.185 2.835 1.00 62.40 C ATOM 312 CG LEU A 22 -6.431 14.656 4.109 1.00 51.45 C ATOM 313 CD1 LEU A 22 -5.524 13.557 4.619 1.00 20.11 C ATOM 314 CD2 LEU A 22 -5.598 15.901 3.833 1.00 43.30 C ATOM 0 H LEU A 22 -7.434 16.691 2.326 1.00 54.24 H new ATOM 0 HA LEU A 22 -8.832 14.406 1.542 1.00 33.41 H new ATOM 0 HB2 LEU A 22 -7.339 13.116 2.934 1.00 62.40 H new ATOM 0 HB3 LEU A 22 -6.462 14.311 1.998 1.00 62.40 H new ATOM 0 HG LEU A 22 -7.186 14.895 4.858 1.00 51.45 H new ATOM 0 HD11 LEU A 22 -5.016 13.894 5.523 1.00 20.11 H new ATOM 0 HD12 LEU A 22 -6.117 12.671 4.845 1.00 20.11 H new ATOM 0 HD13 LEU A 22 -4.784 13.313 3.857 1.00 20.11 H new ATOM 0 HD21 LEU A 22 -5.099 16.216 4.750 1.00 43.30 H new ATOM 0 HD22 LEU A 22 -4.851 15.677 3.072 1.00 43.30 H new ATOM 0 HD23 LEU A 22 -6.247 16.702 3.480 1.00 43.30 H new ATOM 326 N LEU A 23 -9.750 15.664 4.394 1.00 24.53 N ATOM 327 CA LEU A 23 -10.712 15.539 5.461 1.00 5.32 C ATOM 328 C LEU A 23 -12.148 15.423 4.925 1.00 32.44 C ATOM 329 O LEU A 23 -13.028 14.891 5.593 1.00 34.22 O ATOM 330 CB LEU A 23 -10.535 16.665 6.513 1.00 4.30 C ATOM 331 CG LEU A 23 -10.616 18.143 6.057 1.00 63.53 C ATOM 332 CD1 LEU A 23 -12.045 18.580 5.754 1.00 72.45 C ATOM 333 CD2 LEU A 23 -9.989 19.053 7.102 1.00 53.02 C ATOM 0 H LEU A 23 -9.302 16.578 4.328 1.00 24.53 H new ATOM 0 HA LEU A 23 -10.518 14.602 5.983 1.00 5.32 H new ATOM 0 HB2 LEU A 23 -11.292 16.517 7.283 1.00 4.30 H new ATOM 0 HB3 LEU A 23 -9.565 16.521 6.988 1.00 4.30 H new ATOM 0 HG LEU A 23 -10.054 18.225 5.127 1.00 63.53 H new ATOM 0 HD11 LEU A 23 -12.047 19.623 5.439 1.00 72.45 H new ATOM 0 HD12 LEU A 23 -12.454 17.959 4.957 1.00 72.45 H new ATOM 0 HD13 LEU A 23 -12.657 18.470 6.650 1.00 72.45 H new ATOM 0 HD21 LEU A 23 -10.053 20.089 6.768 1.00 53.02 H new ATOM 0 HD22 LEU A 23 -10.521 18.943 8.047 1.00 53.02 H new ATOM 0 HD23 LEU A 23 -8.943 18.781 7.241 1.00 53.02 H new ATOM 345 N LYS A 24 -12.366 15.898 3.710 1.00 73.34 N ATOM 346 CA LYS A 24 -13.671 15.809 3.084 1.00 55.43 C ATOM 347 C LYS A 24 -13.690 14.502 2.281 1.00 10.22 C ATOM 348 O LYS A 24 -14.645 13.730 2.330 1.00 41.13 O ATOM 349 CB LYS A 24 -13.879 17.028 2.151 1.00 2.31 C ATOM 350 CG LYS A 24 -15.342 17.420 1.846 1.00 62.05 C ATOM 351 CD LYS A 24 -16.146 16.333 1.151 1.00 63.43 C ATOM 352 CE LYS A 24 -17.567 16.796 0.882 1.00 74.40 C ATOM 353 NZ LYS A 24 -18.411 15.720 0.338 1.00 14.31 N ATOM 0 H LYS A 24 -11.653 16.350 3.138 1.00 73.34 H new ATOM 0 HA LYS A 24 -14.473 15.813 3.823 1.00 55.43 H new ATOM 0 HB2 LYS A 24 -13.381 17.889 2.598 1.00 2.31 H new ATOM 0 HB3 LYS A 24 -13.376 16.824 1.206 1.00 2.31 H new ATOM 0 HG2 LYS A 24 -15.838 17.682 2.780 1.00 62.05 H new ATOM 0 HG3 LYS A 24 -15.344 18.314 1.222 1.00 62.05 H new ATOM 0 HD2 LYS A 24 -15.664 16.063 0.212 1.00 63.43 H new ATOM 0 HD3 LYS A 24 -16.163 15.436 1.770 1.00 63.43 H new ATOM 0 HE2 LYS A 24 -18.007 17.167 1.807 1.00 74.40 H new ATOM 0 HE3 LYS A 24 -17.548 17.630 0.181 1.00 74.40 H new ATOM 0 HZ1 LYS A 24 -19.286 16.127 -0.049 1.00 14.31 H new ATOM 0 HZ2 LYS A 24 -17.897 15.224 -0.418 1.00 14.31 H new ATOM 0 HZ3 LYS A 24 -18.647 15.047 1.095 1.00 14.31 H new ATOM 367 N GLU A 25 -12.573 14.248 1.605 1.00 44.41 N ATOM 368 CA GLU A 25 -12.360 13.066 0.756 1.00 53.52 C ATOM 369 C GLU A 25 -12.482 11.789 1.615 1.00 4.34 C ATOM 370 O GLU A 25 -12.882 10.731 1.136 1.00 53.24 O ATOM 371 CB GLU A 25 -10.949 13.185 0.147 1.00 20.20 C ATOM 372 CG GLU A 25 -10.697 12.455 -1.174 1.00 11.24 C ATOM 373 CD GLU A 25 -10.772 10.950 -1.114 1.00 54.32 C ATOM 374 OE1 GLU A 25 -9.787 10.305 -0.653 1.00 13.13 O ATOM 375 OE2 GLU A 25 -11.788 10.376 -1.579 1.00 41.31 O ATOM 0 H GLU A 25 -11.766 14.871 1.629 1.00 44.41 H new ATOM 0 HA GLU A 25 -13.104 13.008 -0.039 1.00 53.52 H new ATOM 0 HB2 GLU A 25 -10.734 14.243 -0.004 1.00 20.20 H new ATOM 0 HB3 GLU A 25 -10.232 12.816 0.880 1.00 20.20 H new ATOM 0 HG2 GLU A 25 -11.423 12.808 -1.907 1.00 11.24 H new ATOM 0 HG3 GLU A 25 -9.710 12.737 -1.541 1.00 11.24 H new ATOM 382 N MET A 26 -12.197 11.947 2.910 1.00 33.35 N ATOM 383 CA MET A 26 -12.249 10.879 3.914 1.00 65.21 C ATOM 384 C MET A 26 -13.593 10.129 3.895 1.00 41.32 C ATOM 385 O MET A 26 -13.651 8.948 4.258 1.00 44.55 O ATOM 386 CB MET A 26 -11.988 11.465 5.318 1.00 4.14 C ATOM 387 CG MET A 26 -11.877 10.427 6.435 1.00 51.11 C ATOM 388 SD MET A 26 -10.504 9.271 6.199 1.00 30.42 S ATOM 389 CE MET A 26 -9.097 10.383 6.279 1.00 31.54 C ATOM 0 H MET A 26 -11.916 12.846 3.301 1.00 33.35 H new ATOM 0 HA MET A 26 -11.471 10.157 3.666 1.00 65.21 H new ATOM 0 HB2 MET A 26 -11.066 12.046 5.288 1.00 4.14 H new ATOM 0 HB3 MET A 26 -12.794 12.157 5.563 1.00 4.14 H new ATOM 0 HG2 MET A 26 -11.752 10.940 7.388 1.00 51.11 H new ATOM 0 HG3 MET A 26 -12.810 9.866 6.495 1.00 51.11 H new ATOM 0 HE1 MET A 26 -8.188 9.807 6.453 1.00 31.54 H new ATOM 0 HE2 MET A 26 -9.008 10.926 5.338 1.00 31.54 H new ATOM 0 HE3 MET A 26 -9.239 11.092 7.095 1.00 31.54 H new ATOM 399 N GLU A 27 -14.663 10.797 3.442 1.00 0.54 N ATOM 400 CA GLU A 27 -15.977 10.167 3.338 1.00 4.13 C ATOM 401 C GLU A 27 -15.929 8.994 2.374 1.00 61.34 C ATOM 402 O GLU A 27 -16.524 7.957 2.623 1.00 51.22 O ATOM 403 CB GLU A 27 -17.035 11.135 2.841 1.00 31.15 C ATOM 404 CG GLU A 27 -17.247 12.360 3.690 1.00 61.01 C ATOM 405 CD GLU A 27 -18.415 13.158 3.186 1.00 41.31 C ATOM 406 OE1 GLU A 27 -18.306 13.796 2.131 1.00 13.32 O ATOM 407 OE2 GLU A 27 -19.494 13.129 3.825 1.00 22.13 O ATOM 0 H GLU A 27 -14.640 11.772 3.143 1.00 0.54 H new ATOM 0 HA GLU A 27 -16.240 9.833 4.341 1.00 4.13 H new ATOM 0 HB2 GLU A 27 -16.765 11.455 1.835 1.00 31.15 H new ATOM 0 HB3 GLU A 27 -17.982 10.601 2.762 1.00 31.15 H new ATOM 0 HG2 GLU A 27 -17.420 12.066 4.725 1.00 61.01 H new ATOM 0 HG3 GLU A 27 -16.348 12.976 3.680 1.00 61.01 H new ATOM 414 N SER A 28 -15.181 9.153 1.302 1.00 64.44 N ATOM 415 CA SER A 28 -15.081 8.141 0.284 1.00 63.12 C ATOM 416 C SER A 28 -14.241 6.978 0.811 1.00 63.33 C ATOM 417 O SER A 28 -14.518 5.809 0.514 1.00 1.13 O ATOM 418 CB SER A 28 -14.482 8.747 -0.999 1.00 35.54 C ATOM 419 OG SER A 28 -14.495 7.829 -2.093 1.00 54.14 O ATOM 0 H SER A 28 -14.627 9.989 1.117 1.00 64.44 H new ATOM 0 HA SER A 28 -16.071 7.759 0.034 1.00 63.12 H new ATOM 0 HB2 SER A 28 -15.043 9.641 -1.272 1.00 35.54 H new ATOM 0 HB3 SER A 28 -13.457 9.062 -0.804 1.00 35.54 H new ATOM 0 HG SER A 28 -14.107 8.258 -2.884 1.00 54.14 H new ATOM 425 N SER A 29 -13.241 7.305 1.620 1.00 71.12 N ATOM 426 CA SER A 29 -12.403 6.314 2.253 1.00 4.12 C ATOM 427 C SER A 29 -13.212 5.533 3.308 1.00 62.33 C ATOM 428 O SER A 29 -12.963 4.352 3.559 1.00 1.13 O ATOM 429 CB SER A 29 -11.210 7.010 2.918 1.00 34.25 C ATOM 430 OG SER A 29 -10.526 7.849 2.001 1.00 10.51 O ATOM 0 H SER A 29 -12.994 8.267 1.851 1.00 71.12 H new ATOM 0 HA SER A 29 -12.041 5.613 1.501 1.00 4.12 H new ATOM 0 HB2 SER A 29 -11.557 7.601 3.766 1.00 34.25 H new ATOM 0 HB3 SER A 29 -10.523 6.261 3.312 1.00 34.25 H new ATOM 0 HG SER A 29 -9.737 8.234 2.436 1.00 10.51 H new ATOM 436 N THR A 30 -14.182 6.191 3.903 1.00 53.42 N ATOM 437 CA THR A 30 -15.001 5.588 4.925 1.00 5.43 C ATOM 438 C THR A 30 -16.112 4.736 4.300 1.00 31.02 C ATOM 439 O THR A 30 -17.063 5.257 3.716 1.00 54.42 O ATOM 440 CB THR A 30 -15.604 6.668 5.846 1.00 23.33 C ATOM 441 OG1 THR A 30 -14.539 7.516 6.329 1.00 2.31 O ATOM 442 CG2 THR A 30 -16.313 6.037 7.044 1.00 10.23 C ATOM 0 H THR A 30 -14.423 7.159 3.690 1.00 53.42 H new ATOM 0 HA THR A 30 -14.367 4.936 5.526 1.00 5.43 H new ATOM 0 HB THR A 30 -16.332 7.244 5.275 1.00 23.33 H new ATOM 0 HG1 THR A 30 -14.189 8.055 5.589 1.00 2.31 H new ATOM 0 HG21 THR A 30 -16.728 6.822 7.676 1.00 10.23 H new ATOM 0 HG22 THR A 30 -17.117 5.391 6.692 1.00 10.23 H new ATOM 0 HG23 THR A 30 -15.600 5.447 7.620 1.00 10.23 H new ATOM 450 N GLY A 31 -15.956 3.444 4.400 1.00 44.44 N ATOM 451 CA GLY A 31 -16.915 2.520 3.884 1.00 42.42 C ATOM 452 C GLY A 31 -16.666 1.175 4.484 1.00 24.45 C ATOM 453 O GLY A 31 -15.732 1.031 5.278 1.00 1.43 O ATOM 0 H GLY A 31 -15.151 3.004 4.847 1.00 44.44 H new ATOM 0 HA2 GLY A 31 -17.925 2.856 4.118 1.00 42.42 H new ATOM 0 HA3 GLY A 31 -16.841 2.467 2.798 1.00 42.42 H new ATOM 457 N THR A 32 -17.453 0.202 4.133 1.00 41.43 N ATOM 458 CA THR A 32 -17.263 -1.119 4.652 1.00 2.35 C ATOM 459 C THR A 32 -16.063 -1.768 3.974 1.00 30.41 C ATOM 460 O THR A 32 -15.988 -1.838 2.740 1.00 22.50 O ATOM 461 CB THR A 32 -18.523 -1.982 4.440 1.00 0.53 C ATOM 462 OG1 THR A 32 -19.669 -1.295 5.005 1.00 31.44 O ATOM 463 CG2 THR A 32 -18.363 -3.336 5.129 1.00 72.10 C ATOM 0 H THR A 32 -18.236 0.299 3.487 1.00 41.43 H new ATOM 0 HA THR A 32 -17.079 -1.047 5.724 1.00 2.35 H new ATOM 0 HB THR A 32 -18.667 -2.143 3.372 1.00 0.53 H new ATOM 0 HG1 THR A 32 -20.474 -1.838 4.872 1.00 31.44 H new ATOM 0 HG21 THR A 32 -19.261 -3.933 4.970 1.00 72.10 H new ATOM 0 HG22 THR A 32 -17.502 -3.857 4.711 1.00 72.10 H new ATOM 0 HG23 THR A 32 -18.212 -3.185 6.198 1.00 72.10 H new ATOM 471 N ALA A 33 -15.126 -2.200 4.767 1.00 51.25 N ATOM 472 CA ALA A 33 -13.964 -2.860 4.263 1.00 53.21 C ATOM 473 C ALA A 33 -14.222 -4.361 4.282 1.00 12.40 C ATOM 474 O ALA A 33 -15.025 -4.833 5.106 1.00 42.22 O ATOM 475 CB ALA A 33 -12.748 -2.509 5.121 1.00 0.10 C ATOM 0 H ALA A 33 -15.149 -2.103 5.782 1.00 51.25 H new ATOM 0 HA ALA A 33 -13.757 -2.536 3.243 1.00 53.21 H new ATOM 0 HB1 ALA A 33 -11.867 -3.017 4.729 1.00 0.10 H new ATOM 0 HB2 ALA A 33 -12.586 -1.431 5.098 1.00 0.10 H new ATOM 0 HB3 ALA A 33 -12.923 -2.828 6.148 1.00 0.10 H new ATOM 481 N PRO A 34 -13.611 -5.122 3.360 1.00 12.01 N ATOM 482 CA PRO A 34 -13.732 -6.584 3.337 1.00 52.31 C ATOM 483 C PRO A 34 -13.277 -7.217 4.661 1.00 30.10 C ATOM 484 O PRO A 34 -12.475 -6.625 5.423 1.00 35.25 O ATOM 485 CB PRO A 34 -12.799 -6.999 2.202 1.00 31.14 C ATOM 486 CG PRO A 34 -12.733 -5.812 1.316 1.00 12.14 C ATOM 487 CD PRO A 34 -12.803 -4.627 2.226 1.00 12.24 C ATOM 0 HA PRO A 34 -14.763 -6.910 3.197 1.00 52.31 H new ATOM 0 HB2 PRO A 34 -11.812 -7.267 2.579 1.00 31.14 H new ATOM 0 HB3 PRO A 34 -13.185 -7.869 1.670 1.00 31.14 H new ATOM 0 HG2 PRO A 34 -11.810 -5.807 0.736 1.00 12.14 H new ATOM 0 HG3 PRO A 34 -13.558 -5.808 0.603 1.00 12.14 H new ATOM 0 HD2 PRO A 34 -11.812 -4.306 2.547 1.00 12.24 H new ATOM 0 HD3 PRO A 34 -13.273 -3.772 1.739 1.00 12.24 H new ATOM 495 N ALA A 35 -13.794 -8.381 4.938 1.00 33.31 N ATOM 496 CA ALA A 35 -13.535 -9.064 6.177 1.00 32.44 C ATOM 497 C ALA A 35 -12.252 -9.877 6.131 1.00 31.21 C ATOM 498 O ALA A 35 -11.870 -10.418 5.084 1.00 33.14 O ATOM 499 CB ALA A 35 -14.708 -9.963 6.521 1.00 12.11 C ATOM 0 H ALA A 35 -14.413 -8.888 4.305 1.00 33.31 H new ATOM 0 HA ALA A 35 -13.409 -8.306 6.950 1.00 32.44 H new ATOM 0 HB1 ALA A 35 -14.508 -10.479 7.460 1.00 12.11 H new ATOM 0 HB2 ALA A 35 -15.611 -9.360 6.623 1.00 12.11 H new ATOM 0 HB3 ALA A 35 -14.849 -10.697 5.727 1.00 12.11 H new ATOM 505 N SER A 36 -11.594 -9.930 7.254 1.00 4.31 N ATOM 506 CA SER A 36 -10.423 -10.724 7.449 1.00 13.02 C ATOM 507 C SER A 36 -10.736 -11.779 8.501 1.00 13.31 C ATOM 508 O SER A 36 -11.557 -11.543 9.401 1.00 3.10 O ATOM 509 CB SER A 36 -9.257 -9.848 7.895 1.00 75.44 C ATOM 510 OG SER A 36 -8.909 -8.910 6.897 1.00 74.33 O ATOM 0 H SER A 36 -11.870 -9.404 8.083 1.00 4.31 H new ATOM 0 HA SER A 36 -10.135 -11.206 6.515 1.00 13.02 H new ATOM 0 HB2 SER A 36 -9.523 -9.324 8.813 1.00 75.44 H new ATOM 0 HB3 SER A 36 -8.395 -10.475 8.124 1.00 75.44 H new ATOM 0 HG SER A 36 -9.424 -8.087 7.028 1.00 74.33 H new ATOM 516 N THR A 37 -10.124 -12.918 8.385 1.00 20.24 N ATOM 517 CA THR A 37 -10.393 -14.008 9.276 1.00 34.51 C ATOM 518 C THR A 37 -9.155 -14.380 10.091 1.00 43.02 C ATOM 519 O THR A 37 -9.153 -14.284 11.317 1.00 75.14 O ATOM 520 CB THR A 37 -10.922 -15.206 8.480 1.00 52.13 C ATOM 521 OG1 THR A 37 -10.085 -15.392 7.317 1.00 72.33 O ATOM 522 CG2 THR A 37 -12.366 -14.977 8.036 1.00 71.03 C ATOM 0 H THR A 37 -9.424 -13.119 7.671 1.00 20.24 H new ATOM 0 HA THR A 37 -11.158 -13.698 9.988 1.00 34.51 H new ATOM 0 HB THR A 37 -10.899 -16.091 9.115 1.00 52.13 H new ATOM 0 HG1 THR A 37 -10.602 -15.831 6.609 1.00 72.33 H new ATOM 0 HG21 THR A 37 -12.715 -15.843 7.473 1.00 71.03 H new ATOM 0 HG22 THR A 37 -12.998 -14.835 8.913 1.00 71.03 H new ATOM 0 HG23 THR A 37 -12.416 -14.090 7.405 1.00 71.03 H new ATOM 530 N GLY A 38 -8.111 -14.769 9.409 1.00 4.35 N ATOM 531 CA GLY A 38 -6.881 -15.110 10.060 1.00 50.01 C ATOM 532 C GLY A 38 -5.915 -15.756 9.107 1.00 30.32 C ATOM 533 O GLY A 38 -4.857 -15.202 8.808 1.00 30.31 O ATOM 0 H GLY A 38 -8.092 -14.857 8.393 1.00 4.35 H new ATOM 0 HA2 GLY A 38 -6.431 -14.212 10.483 1.00 50.01 H new ATOM 0 HA3 GLY A 38 -7.083 -15.787 10.890 1.00 50.01 H new ATOM 537 N ALA A 39 -6.276 -16.905 8.593 1.00 54.23 N ATOM 538 CA ALA A 39 -5.409 -17.637 7.686 1.00 61.22 C ATOM 539 C ALA A 39 -5.441 -17.032 6.302 1.00 24.24 C ATOM 540 O ALA A 39 -4.435 -17.004 5.598 1.00 73.41 O ATOM 541 CB ALA A 39 -5.774 -19.111 7.647 1.00 22.42 C ATOM 0 H ALA A 39 -7.168 -17.361 8.785 1.00 54.23 H new ATOM 0 HA ALA A 39 -4.389 -17.559 8.063 1.00 61.22 H new ATOM 0 HB1 ALA A 39 -5.108 -19.633 6.960 1.00 22.42 H new ATOM 0 HB2 ALA A 39 -5.672 -19.538 8.645 1.00 22.42 H new ATOM 0 HB3 ALA A 39 -6.804 -19.222 7.308 1.00 22.42 H new ATOM 547 N GLU A 40 -6.587 -16.496 5.947 1.00 13.13 N ATOM 548 CA GLU A 40 -6.806 -15.861 4.646 1.00 22.31 C ATOM 549 C GLU A 40 -6.149 -14.488 4.589 1.00 31.43 C ATOM 550 O GLU A 40 -6.135 -13.829 3.551 1.00 44.15 O ATOM 551 CB GLU A 40 -8.297 -15.731 4.400 1.00 15.15 C ATOM 552 CG GLU A 40 -9.012 -17.054 4.467 1.00 11.14 C ATOM 553 CD GLU A 40 -10.501 -16.924 4.293 1.00 31.31 C ATOM 554 OE1 GLU A 40 -11.192 -16.578 5.275 1.00 63.22 O ATOM 555 OE2 GLU A 40 -11.016 -17.173 3.188 1.00 25.13 O ATOM 0 H GLU A 40 -7.408 -16.483 6.552 1.00 13.13 H new ATOM 0 HA GLU A 40 -6.355 -16.482 3.873 1.00 22.31 H new ATOM 0 HB2 GLU A 40 -8.726 -15.053 5.138 1.00 15.15 H new ATOM 0 HB3 GLU A 40 -8.462 -15.282 3.421 1.00 15.15 H new ATOM 0 HG2 GLU A 40 -8.617 -17.714 3.695 1.00 11.14 H new ATOM 0 HG3 GLU A 40 -8.803 -17.526 5.427 1.00 11.14 H new ATOM 562 N ASN A 41 -5.628 -14.071 5.707 1.00 21.15 N ATOM 563 CA ASN A 41 -4.957 -12.778 5.827 1.00 33.40 C ATOM 564 C ASN A 41 -3.534 -12.884 5.337 1.00 41.01 C ATOM 565 O ASN A 41 -3.049 -12.027 4.612 1.00 53.04 O ATOM 566 CB ASN A 41 -4.934 -12.287 7.282 1.00 43.24 C ATOM 567 CG ASN A 41 -6.288 -12.000 7.883 1.00 32.25 C ATOM 568 OD1 ASN A 41 -7.309 -12.597 7.510 1.00 14.21 O ATOM 569 ND2 ASN A 41 -6.309 -11.110 8.836 1.00 62.42 N ATOM 0 H ASN A 41 -5.649 -14.609 6.573 1.00 21.15 H new ATOM 0 HA ASN A 41 -5.517 -12.066 5.221 1.00 33.40 H new ATOM 0 HB2 ASN A 41 -4.434 -13.037 7.894 1.00 43.24 H new ATOM 0 HB3 ASN A 41 -4.331 -11.380 7.333 1.00 43.24 H new ATOM 0 HD21 ASN A 41 -7.187 -10.884 9.303 1.00 62.42 H new ATOM 0 HD22 ASN A 41 -5.447 -10.640 9.114 1.00 62.42 H new ATOM 576 N LEU A 42 -2.882 -13.964 5.703 1.00 53.25 N ATOM 577 CA LEU A 42 -1.505 -14.194 5.335 1.00 23.10 C ATOM 578 C LEU A 42 -1.369 -15.597 4.775 1.00 44.43 C ATOM 579 O LEU A 42 -1.091 -16.543 5.513 1.00 3.51 O ATOM 580 CB LEU A 42 -0.503 -14.007 6.513 1.00 44.23 C ATOM 581 CG LEU A 42 -0.316 -12.603 7.137 1.00 41.15 C ATOM 582 CD1 LEU A 42 -0.068 -11.536 6.088 1.00 40.44 C ATOM 583 CD2 LEU A 42 -1.444 -12.222 8.084 1.00 54.12 C ATOM 0 H LEU A 42 -3.293 -14.709 6.266 1.00 53.25 H new ATOM 0 HA LEU A 42 -1.248 -13.443 4.588 1.00 23.10 H new ATOM 0 HB2 LEU A 42 -0.809 -14.682 7.312 1.00 44.23 H new ATOM 0 HB3 LEU A 42 0.474 -14.344 6.168 1.00 44.23 H new ATOM 0 HG LEU A 42 0.586 -12.663 7.746 1.00 41.15 H new ATOM 0 HD11 LEU A 42 0.057 -10.569 6.575 1.00 40.44 H new ATOM 0 HD12 LEU A 42 0.835 -11.779 5.528 1.00 40.44 H new ATOM 0 HD13 LEU A 42 -0.917 -11.492 5.406 1.00 40.44 H new ATOM 0 HD21 LEU A 42 -1.258 -11.228 8.490 1.00 54.12 H new ATOM 0 HD22 LEU A 42 -2.390 -12.221 7.542 1.00 54.12 H new ATOM 0 HD23 LEU A 42 -1.494 -12.944 8.899 1.00 54.12 H new ATOM 595 N PRO A 43 -1.673 -15.764 3.490 1.00 2.30 N ATOM 596 CA PRO A 43 -1.571 -17.046 2.817 1.00 14.33 C ATOM 597 C PRO A 43 -0.202 -17.242 2.139 1.00 33.53 C ATOM 598 O PRO A 43 0.602 -18.080 2.554 1.00 1.41 O ATOM 599 CB PRO A 43 -2.700 -16.974 1.773 1.00 60.13 C ATOM 600 CG PRO A 43 -3.075 -15.509 1.663 1.00 5.10 C ATOM 601 CD PRO A 43 -2.201 -14.735 2.603 1.00 73.15 C ATOM 0 HA PRO A 43 -1.660 -17.888 3.504 1.00 14.33 H new ATOM 0 HB2 PRO A 43 -2.368 -17.365 0.811 1.00 60.13 H new ATOM 0 HB3 PRO A 43 -3.556 -17.574 2.082 1.00 60.13 H new ATOM 0 HG2 PRO A 43 -2.940 -15.157 0.640 1.00 5.10 H new ATOM 0 HG3 PRO A 43 -4.126 -15.365 1.914 1.00 5.10 H new ATOM 0 HD2 PRO A 43 -1.404 -14.212 2.074 1.00 73.15 H new ATOM 0 HD3 PRO A 43 -2.767 -13.982 3.152 1.00 73.15 H new ATOM 609 N ALA A 44 0.071 -16.429 1.128 1.00 12.12 N ATOM 610 CA ALA A 44 1.319 -16.492 0.390 1.00 44.23 C ATOM 611 C ALA A 44 2.457 -15.871 1.188 1.00 71.23 C ATOM 612 O ALA A 44 3.626 -16.049 0.872 1.00 43.42 O ATOM 613 CB ALA A 44 1.162 -15.768 -0.935 1.00 10.02 C ATOM 0 H ALA A 44 -0.569 -15.707 0.798 1.00 12.12 H new ATOM 0 HA ALA A 44 1.562 -17.539 0.210 1.00 44.23 H new ATOM 0 HB1 ALA A 44 2.100 -15.816 -1.489 1.00 10.02 H new ATOM 0 HB2 ALA A 44 0.372 -16.242 -1.517 1.00 10.02 H new ATOM 0 HB3 ALA A 44 0.902 -14.726 -0.751 1.00 10.02 H new ATOM 619 N GLY A 45 2.102 -15.108 2.207 1.00 32.00 N ATOM 620 CA GLY A 45 3.103 -14.425 3.017 1.00 15.12 C ATOM 621 C GLY A 45 3.480 -13.096 2.404 1.00 75.34 C ATOM 622 O GLY A 45 4.209 -12.306 2.985 1.00 74.23 O ATOM 0 H GLY A 45 1.137 -14.945 2.494 1.00 32.00 H new ATOM 0 HA2 GLY A 45 2.716 -14.269 4.024 1.00 15.12 H new ATOM 0 HA3 GLY A 45 3.990 -15.051 3.110 1.00 15.12 H new ATOM 626 N SER A 46 2.982 -12.871 1.225 1.00 74.44 N ATOM 627 CA SER A 46 3.191 -11.664 0.501 1.00 10.42 C ATOM 628 C SER A 46 1.817 -11.057 0.261 1.00 42.13 C ATOM 629 O SER A 46 0.804 -11.784 0.303 1.00 1.52 O ATOM 630 CB SER A 46 3.882 -11.982 -0.828 1.00 74.11 C ATOM 631 OG SER A 46 5.058 -12.769 -0.617 1.00 13.12 O ATOM 0 H SER A 46 2.401 -13.547 0.729 1.00 74.44 H new ATOM 0 HA SER A 46 3.826 -10.968 1.049 1.00 10.42 H new ATOM 0 HB2 SER A 46 3.193 -12.518 -1.481 1.00 74.11 H new ATOM 0 HB3 SER A 46 4.147 -11.055 -1.336 1.00 74.11 H new ATOM 0 HG SER A 46 5.482 -12.961 -1.479 1.00 13.12 H new ATOM 637 N ALA A 47 1.756 -9.778 0.039 1.00 43.41 N ATOM 638 CA ALA A 47 0.491 -9.107 -0.149 1.00 3.23 C ATOM 639 C ALA A 47 0.662 -7.973 -1.118 1.00 72.25 C ATOM 640 O ALA A 47 1.771 -7.489 -1.300 1.00 51.32 O ATOM 641 CB ALA A 47 -0.038 -8.607 1.175 1.00 4.15 C ATOM 0 H ALA A 47 2.572 -9.168 -0.018 1.00 43.41 H new ATOM 0 HA ALA A 47 -0.234 -9.811 -0.558 1.00 3.23 H new ATOM 0 HB1 ALA A 47 -0.992 -8.103 1.019 1.00 4.15 H new ATOM 0 HB2 ALA A 47 -0.179 -9.450 1.852 1.00 4.15 H new ATOM 0 HB3 ALA A 47 0.675 -7.907 1.611 1.00 4.15 H new ATOM 647 N LEU A 48 -0.402 -7.567 -1.748 1.00 61.43 N ATOM 648 CA LEU A 48 -0.337 -6.516 -2.719 1.00 3.24 C ATOM 649 C LEU A 48 -1.300 -5.414 -2.375 1.00 25.30 C ATOM 650 O LEU A 48 -2.401 -5.664 -1.897 1.00 62.24 O ATOM 651 CB LEU A 48 -0.516 -7.035 -4.202 1.00 33.43 C ATOM 652 CG LEU A 48 -1.858 -7.709 -4.677 1.00 72.22 C ATOM 653 CD1 LEU A 48 -2.297 -8.882 -3.822 1.00 21.35 C ATOM 654 CD2 LEU A 48 -2.988 -6.704 -4.886 1.00 70.23 C ATOM 0 H LEU A 48 -1.335 -7.954 -1.604 1.00 61.43 H new ATOM 0 HA LEU A 48 0.670 -6.101 -2.680 1.00 3.24 H new ATOM 0 HB2 LEU A 48 -0.337 -6.185 -4.860 1.00 33.43 H new ATOM 0 HB3 LEU A 48 0.283 -7.754 -4.386 1.00 33.43 H new ATOM 0 HG LEU A 48 -1.620 -8.129 -5.654 1.00 72.22 H new ATOM 0 HD11 LEU A 48 -3.228 -9.290 -4.215 1.00 21.35 H new ATOM 0 HD12 LEU A 48 -1.527 -9.653 -3.839 1.00 21.35 H new ATOM 0 HD13 LEU A 48 -2.452 -8.547 -2.796 1.00 21.35 H new ATOM 0 HD21 LEU A 48 -3.886 -7.229 -5.213 1.00 70.23 H new ATOM 0 HD22 LEU A 48 -3.192 -6.185 -3.949 1.00 70.23 H new ATOM 0 HD23 LEU A 48 -2.695 -5.979 -5.646 1.00 70.23 H new ATOM 666 N LEU A 49 -0.889 -4.218 -2.577 1.00 34.02 N ATOM 667 CA LEU A 49 -1.739 -3.103 -2.333 1.00 41.14 C ATOM 668 C LEU A 49 -2.103 -2.411 -3.622 1.00 74.42 C ATOM 669 O LEU A 49 -1.284 -2.323 -4.539 1.00 52.35 O ATOM 670 CB LEU A 49 -1.170 -2.149 -1.251 1.00 32.43 C ATOM 671 CG LEU A 49 0.318 -1.739 -1.330 1.00 32.03 C ATOM 672 CD1 LEU A 49 0.637 -0.886 -2.547 1.00 5.32 C ATOM 673 CD2 LEU A 49 0.726 -1.026 -0.061 1.00 72.11 C ATOM 0 H LEU A 49 0.043 -3.979 -2.915 1.00 34.02 H new ATOM 0 HA LEU A 49 -2.671 -3.478 -1.909 1.00 41.14 H new ATOM 0 HB2 LEU A 49 -1.766 -1.236 -1.269 1.00 32.43 H new ATOM 0 HB3 LEU A 49 -1.333 -2.616 -0.280 1.00 32.43 H new ATOM 0 HG LEU A 49 0.896 -2.657 -1.438 1.00 32.03 H new ATOM 0 HD11 LEU A 49 1.697 -0.631 -2.545 1.00 5.32 H new ATOM 0 HD12 LEU A 49 0.399 -1.442 -3.454 1.00 5.32 H new ATOM 0 HD13 LEU A 49 0.044 0.028 -2.516 1.00 5.32 H new ATOM 0 HD21 LEU A 49 1.776 -0.741 -0.125 1.00 72.11 H new ATOM 0 HD22 LEU A 49 0.115 -0.133 0.067 1.00 72.11 H new ATOM 0 HD23 LEU A 49 0.582 -1.690 0.792 1.00 72.11 H new ATOM 685 N VAL A 50 -3.323 -1.990 -3.711 1.00 11.01 N ATOM 686 CA VAL A 50 -3.819 -1.302 -4.877 1.00 13.04 C ATOM 687 C VAL A 50 -4.160 0.108 -4.465 1.00 74.43 C ATOM 688 O VAL A 50 -4.867 0.309 -3.483 1.00 10.00 O ATOM 689 CB VAL A 50 -5.106 -1.980 -5.438 1.00 1.34 C ATOM 690 CG1 VAL A 50 -5.552 -1.323 -6.738 1.00 23.42 C ATOM 691 CG2 VAL A 50 -4.907 -3.477 -5.635 1.00 4.23 C ATOM 0 H VAL A 50 -4.017 -2.111 -2.973 1.00 11.01 H new ATOM 0 HA VAL A 50 -3.056 -1.327 -5.655 1.00 13.04 H new ATOM 0 HB VAL A 50 -5.894 -1.841 -4.698 1.00 1.34 H new ATOM 0 HG11 VAL A 50 -6.452 -1.817 -7.105 1.00 23.42 H new ATOM 0 HG12 VAL A 50 -5.764 -0.269 -6.559 1.00 23.42 H new ATOM 0 HG13 VAL A 50 -4.760 -1.412 -7.481 1.00 23.42 H new ATOM 0 HG21 VAL A 50 -5.824 -3.917 -6.027 1.00 4.23 H new ATOM 0 HG22 VAL A 50 -4.093 -3.646 -6.340 1.00 4.23 H new ATOM 0 HG23 VAL A 50 -4.662 -3.940 -4.679 1.00 4.23 H new ATOM 701 N VAL A 51 -3.656 1.074 -5.171 1.00 21.43 N ATOM 702 CA VAL A 51 -3.958 2.451 -4.856 1.00 34.41 C ATOM 703 C VAL A 51 -5.341 2.757 -5.400 1.00 13.01 C ATOM 704 O VAL A 51 -5.577 2.662 -6.603 1.00 73.41 O ATOM 705 CB VAL A 51 -2.900 3.414 -5.440 1.00 60.34 C ATOM 706 CG1 VAL A 51 -3.108 4.828 -4.925 1.00 4.01 C ATOM 707 CG2 VAL A 51 -1.489 2.922 -5.120 1.00 12.32 C ATOM 0 H VAL A 51 -3.034 0.942 -5.969 1.00 21.43 H new ATOM 0 HA VAL A 51 -3.938 2.596 -3.776 1.00 34.41 H new ATOM 0 HB VAL A 51 -3.019 3.431 -6.523 1.00 60.34 H new ATOM 0 HG11 VAL A 51 -2.350 5.486 -5.351 1.00 4.01 H new ATOM 0 HG12 VAL A 51 -4.098 5.179 -5.216 1.00 4.01 H new ATOM 0 HG13 VAL A 51 -3.025 4.835 -3.838 1.00 4.01 H new ATOM 0 HG21 VAL A 51 -0.759 3.614 -5.540 1.00 12.32 H new ATOM 0 HG22 VAL A 51 -1.359 2.869 -4.039 1.00 12.32 H new ATOM 0 HG23 VAL A 51 -1.342 1.932 -5.553 1.00 12.32 H new ATOM 717 N LYS A 52 -6.242 3.111 -4.509 1.00 3.40 N ATOM 718 CA LYS A 52 -7.649 3.286 -4.846 1.00 64.34 C ATOM 719 C LYS A 52 -7.880 4.671 -5.420 1.00 71.33 C ATOM 720 O LYS A 52 -8.726 4.876 -6.294 1.00 74.30 O ATOM 721 CB LYS A 52 -8.491 3.117 -3.568 1.00 23.42 C ATOM 722 CG LYS A 52 -10.001 3.082 -3.770 1.00 4.12 C ATOM 723 CD LYS A 52 -10.433 1.826 -4.508 1.00 25.24 C ATOM 724 CE LYS A 52 -11.940 1.770 -4.661 1.00 65.01 C ATOM 725 NZ LYS A 52 -12.389 0.528 -5.318 1.00 73.15 N ATOM 0 H LYS A 52 -6.025 3.287 -3.528 1.00 3.40 H new ATOM 0 HA LYS A 52 -7.939 2.543 -5.589 1.00 64.34 H new ATOM 0 HB2 LYS A 52 -8.188 2.193 -3.075 1.00 23.42 H new ATOM 0 HB3 LYS A 52 -8.253 3.935 -2.888 1.00 23.42 H new ATOM 0 HG2 LYS A 52 -10.500 3.127 -2.802 1.00 4.12 H new ATOM 0 HG3 LYS A 52 -10.315 3.962 -4.332 1.00 4.12 H new ATOM 0 HD2 LYS A 52 -9.964 1.800 -5.492 1.00 25.24 H new ATOM 0 HD3 LYS A 52 -10.087 0.946 -3.966 1.00 25.24 H new ATOM 0 HE2 LYS A 52 -12.406 1.848 -3.679 1.00 65.01 H new ATOM 0 HE3 LYS A 52 -12.276 2.628 -5.243 1.00 65.01 H new ATOM 0 HZ1 LYS A 52 -13.426 0.534 -5.401 1.00 73.15 H new ATOM 0 HZ2 LYS A 52 -11.966 0.464 -6.266 1.00 73.15 H new ATOM 0 HZ3 LYS A 52 -12.092 -0.292 -4.751 1.00 73.15 H new ATOM 739 N ARG A 53 -7.116 5.602 -4.942 1.00 32.13 N ATOM 740 CA ARG A 53 -7.245 6.985 -5.331 1.00 14.03 C ATOM 741 C ARG A 53 -5.900 7.624 -5.133 1.00 54.01 C ATOM 742 O ARG A 53 -5.149 7.172 -4.282 1.00 42.52 O ATOM 743 CB ARG A 53 -8.353 7.669 -4.481 1.00 22.14 C ATOM 744 CG ARG A 53 -8.619 9.156 -4.773 1.00 45.34 C ATOM 745 CD ARG A 53 -8.927 9.428 -6.245 1.00 42.40 C ATOM 746 NE ARG A 53 -10.052 8.644 -6.767 1.00 42.00 N ATOM 747 CZ ARG A 53 -10.387 8.568 -8.067 1.00 24.11 C ATOM 748 NH1 ARG A 53 -9.750 9.319 -8.974 1.00 72.44 N ATOM 749 NH2 ARG A 53 -11.369 7.758 -8.449 1.00 41.12 N ATOM 0 H ARG A 53 -6.375 5.429 -4.263 1.00 32.13 H new ATOM 0 HA ARG A 53 -7.544 7.088 -6.374 1.00 14.03 H new ATOM 0 HB2 ARG A 53 -9.283 7.120 -4.627 1.00 22.14 H new ATOM 0 HB3 ARG A 53 -8.087 7.570 -3.429 1.00 22.14 H new ATOM 0 HG2 ARG A 53 -9.456 9.497 -4.163 1.00 45.34 H new ATOM 0 HG3 ARG A 53 -7.749 9.741 -4.475 1.00 45.34 H new ATOM 0 HD2 ARG A 53 -9.145 10.488 -6.371 1.00 42.40 H new ATOM 0 HD3 ARG A 53 -8.039 9.212 -6.839 1.00 42.40 H new ATOM 0 HE ARG A 53 -10.618 8.121 -6.099 1.00 42.00 H new ATOM 0 HH11 ARG A 53 -9.007 9.953 -8.680 1.00 72.44 H new ATOM 0 HH12 ARG A 53 -10.008 9.258 -9.959 1.00 72.44 H new ATOM 0 HH21 ARG A 53 -11.866 7.197 -7.757 1.00 41.12 H new ATOM 0 HH22 ARG A 53 -11.626 7.698 -9.434 1.00 41.12 H new ATOM 763 N GLY A 54 -5.574 8.604 -5.939 1.00 41.11 N ATOM 764 CA GLY A 54 -4.296 9.249 -5.857 1.00 0.52 C ATOM 765 C GLY A 54 -3.629 9.228 -7.206 1.00 61.52 C ATOM 766 O GLY A 54 -4.245 8.774 -8.176 1.00 2.24 O ATOM 0 H GLY A 54 -6.187 8.973 -6.666 1.00 41.11 H new ATOM 0 HA2 GLY A 54 -4.418 10.277 -5.517 1.00 0.52 H new ATOM 0 HA3 GLY A 54 -3.669 8.743 -5.123 1.00 0.52 H new ATOM 770 N PRO A 55 -2.382 9.687 -7.325 1.00 21.41 N ATOM 771 CA PRO A 55 -1.668 9.699 -8.611 1.00 3.33 C ATOM 772 C PRO A 55 -1.420 8.277 -9.114 1.00 52.00 C ATOM 773 O PRO A 55 -1.584 7.966 -10.303 1.00 64.23 O ATOM 774 CB PRO A 55 -0.333 10.380 -8.274 1.00 30.41 C ATOM 775 CG PRO A 55 -0.576 11.091 -6.994 1.00 45.44 C ATOM 776 CD PRO A 55 -1.566 10.260 -6.241 1.00 35.10 C ATOM 0 HA PRO A 55 -2.228 10.207 -9.396 1.00 3.33 H new ATOM 0 HB2 PRO A 55 0.469 9.648 -8.173 1.00 30.41 H new ATOM 0 HB3 PRO A 55 -0.034 11.074 -9.060 1.00 30.41 H new ATOM 0 HG2 PRO A 55 0.349 11.203 -6.429 1.00 45.44 H new ATOM 0 HG3 PRO A 55 -0.964 12.094 -7.172 1.00 45.44 H new ATOM 0 HD2 PRO A 55 -1.079 9.487 -5.646 1.00 35.10 H new ATOM 0 HD3 PRO A 55 -2.164 10.861 -5.556 1.00 35.10 H new ATOM 784 N ASN A 56 -1.119 7.404 -8.174 1.00 52.32 N ATOM 785 CA ASN A 56 -0.789 6.023 -8.452 1.00 24.32 C ATOM 786 C ASN A 56 -2.049 5.150 -8.452 1.00 61.32 C ATOM 787 O ASN A 56 -1.951 3.927 -8.422 1.00 72.11 O ATOM 788 CB ASN A 56 0.155 5.516 -7.346 1.00 25.42 C ATOM 789 CG ASN A 56 1.380 6.389 -7.150 1.00 53.43 C ATOM 790 OD1 ASN A 56 1.345 7.366 -6.391 1.00 5.32 O ATOM 791 ND2 ASN A 56 2.455 6.053 -7.791 1.00 35.50 N ATOM 0 H ASN A 56 -1.097 7.639 -7.182 1.00 52.32 H new ATOM 0 HA ASN A 56 -0.318 5.963 -9.433 1.00 24.32 H new ATOM 0 HB2 ASN A 56 -0.395 5.460 -6.407 1.00 25.42 H new ATOM 0 HB3 ASN A 56 0.476 4.503 -7.589 1.00 25.42 H new ATOM 0 HD21 ASN A 56 3.308 6.600 -7.678 1.00 35.50 H new ATOM 0 HD22 ASN A 56 2.448 5.241 -8.409 1.00 35.50 H new ATOM 798 N ALA A 57 -3.231 5.779 -8.504 1.00 35.22 N ATOM 799 CA ALA A 57 -4.503 5.043 -8.477 1.00 4.31 C ATOM 800 C ALA A 57 -4.596 4.062 -9.629 1.00 35.54 C ATOM 801 O ALA A 57 -4.372 4.428 -10.795 1.00 63.21 O ATOM 802 CB ALA A 57 -5.684 5.992 -8.520 1.00 55.14 C ATOM 0 H ALA A 57 -3.333 6.792 -8.565 1.00 35.22 H new ATOM 0 HA ALA A 57 -4.532 4.486 -7.540 1.00 4.31 H new ATOM 0 HB1 ALA A 57 -6.611 5.420 -8.499 1.00 55.14 H new ATOM 0 HB2 ALA A 57 -5.648 6.657 -7.657 1.00 55.14 H new ATOM 0 HB3 ALA A 57 -5.643 6.583 -9.435 1.00 55.14 H new ATOM 808 N GLY A 58 -4.921 2.841 -9.313 1.00 54.23 N ATOM 809 CA GLY A 58 -5.026 1.813 -10.309 1.00 43.50 C ATOM 810 C GLY A 58 -3.843 0.879 -10.290 1.00 51.21 C ATOM 811 O GLY A 58 -3.953 -0.293 -10.679 1.00 23.33 O ATOM 0 H GLY A 58 -5.120 2.531 -8.362 1.00 54.23 H new ATOM 0 HA2 GLY A 58 -5.940 1.242 -10.145 1.00 43.50 H new ATOM 0 HA3 GLY A 58 -5.109 2.271 -11.294 1.00 43.50 H new ATOM 815 N ALA A 59 -2.717 1.367 -9.825 1.00 4.24 N ATOM 816 CA ALA A 59 -1.520 0.568 -9.780 1.00 35.32 C ATOM 817 C ALA A 59 -1.519 -0.300 -8.539 1.00 34.22 C ATOM 818 O ALA A 59 -2.027 0.106 -7.474 1.00 53.13 O ATOM 819 CB ALA A 59 -0.278 1.447 -9.824 1.00 22.14 C ATOM 0 H ALA A 59 -2.607 2.318 -9.472 1.00 4.24 H new ATOM 0 HA ALA A 59 -1.503 -0.078 -10.658 1.00 35.32 H new ATOM 0 HB1 ALA A 59 0.613 0.820 -9.789 1.00 22.14 H new ATOM 0 HB2 ALA A 59 -0.276 2.028 -10.746 1.00 22.14 H new ATOM 0 HB3 ALA A 59 -0.280 2.123 -8.969 1.00 22.14 H new ATOM 825 N ARG A 60 -0.984 -1.485 -8.672 1.00 12.12 N ATOM 826 CA ARG A 60 -0.905 -2.400 -7.572 1.00 1.41 C ATOM 827 C ARG A 60 0.537 -2.800 -7.368 1.00 0.31 C ATOM 828 O ARG A 60 1.263 -3.024 -8.335 1.00 53.34 O ATOM 829 CB ARG A 60 -1.810 -3.635 -7.788 1.00 12.11 C ATOM 830 CG ARG A 60 -1.466 -4.486 -9.003 1.00 62.32 C ATOM 831 CD ARG A 60 -2.369 -5.705 -9.099 1.00 73.22 C ATOM 832 NE ARG A 60 -2.008 -6.554 -10.236 1.00 42.44 N ATOM 833 CZ ARG A 60 -2.184 -7.881 -10.317 1.00 35.23 C ATOM 834 NH1 ARG A 60 -2.817 -8.545 -9.346 1.00 1.23 N ATOM 835 NH2 ARG A 60 -1.744 -8.525 -11.390 1.00 22.30 N ATOM 0 H ARG A 60 -0.593 -1.839 -9.545 1.00 12.12 H new ATOM 0 HA ARG A 60 -1.271 -1.905 -6.673 1.00 1.41 H new ATOM 0 HB2 ARG A 60 -1.759 -4.263 -6.898 1.00 12.11 H new ATOM 0 HB3 ARG A 60 -2.842 -3.297 -7.881 1.00 12.11 H new ATOM 0 HG2 ARG A 60 -1.563 -3.887 -9.908 1.00 62.32 H new ATOM 0 HG3 ARG A 60 -0.426 -4.806 -8.943 1.00 62.32 H new ATOM 0 HD2 ARG A 60 -2.301 -6.282 -8.177 1.00 73.22 H new ATOM 0 HD3 ARG A 60 -3.406 -5.384 -9.199 1.00 73.22 H new ATOM 0 HE ARG A 60 -1.583 -6.093 -11.041 1.00 42.44 H new ATOM 0 HH11 ARG A 60 -3.172 -8.043 -8.532 1.00 1.23 H new ATOM 0 HH12 ARG A 60 -2.945 -9.554 -9.418 1.00 1.23 H new ATOM 0 HH21 ARG A 60 -1.279 -8.011 -12.139 1.00 22.30 H new ATOM 0 HH22 ARG A 60 -1.870 -9.534 -11.467 1.00 22.30 H new ATOM 849 N PHE A 61 0.961 -2.854 -6.142 1.00 22.54 N ATOM 850 CA PHE A 61 2.333 -3.193 -5.834 1.00 51.44 C ATOM 851 C PHE A 61 2.367 -4.378 -4.897 1.00 3.22 C ATOM 852 O PHE A 61 1.648 -4.400 -3.893 1.00 31.31 O ATOM 853 CB PHE A 61 3.061 -2.004 -5.198 1.00 72.14 C ATOM 854 CG PHE A 61 3.085 -0.752 -6.043 1.00 53.11 C ATOM 855 CD1 PHE A 61 4.029 -0.590 -7.043 1.00 24.52 C ATOM 856 CD2 PHE A 61 2.165 0.267 -5.829 1.00 41.23 C ATOM 857 CE1 PHE A 61 4.057 0.558 -7.811 1.00 14.11 C ATOM 858 CE2 PHE A 61 2.187 1.416 -6.594 1.00 62.23 C ATOM 859 CZ PHE A 61 3.133 1.562 -7.587 1.00 50.31 C ATOM 0 H PHE A 61 0.377 -2.667 -5.327 1.00 22.54 H new ATOM 0 HA PHE A 61 2.843 -3.448 -6.763 1.00 51.44 H new ATOM 0 HB2 PHE A 61 2.586 -1.773 -4.244 1.00 72.14 H new ATOM 0 HB3 PHE A 61 4.088 -2.299 -4.980 1.00 72.14 H new ATOM 0 HD1 PHE A 61 4.752 -1.371 -7.225 1.00 24.52 H new ATOM 0 HD2 PHE A 61 1.422 0.159 -5.053 1.00 41.23 H new ATOM 0 HE1 PHE A 61 4.800 0.671 -8.586 1.00 14.11 H new ATOM 0 HE2 PHE A 61 1.465 2.199 -6.415 1.00 62.23 H new ATOM 0 HZ PHE A 61 3.152 2.459 -8.188 1.00 50.31 H new ATOM 869 N LEU A 62 3.164 -5.362 -5.234 1.00 33.35 N ATOM 870 CA LEU A 62 3.301 -6.554 -4.426 1.00 33.01 C ATOM 871 C LEU A 62 4.440 -6.317 -3.443 1.00 13.41 C ATOM 872 O LEU A 62 5.530 -5.901 -3.833 1.00 75.34 O ATOM 873 CB LEU A 62 3.576 -7.772 -5.362 1.00 1.32 C ATOM 874 CG LEU A 62 3.571 -9.225 -4.781 1.00 41.13 C ATOM 875 CD1 LEU A 62 4.734 -9.506 -3.847 1.00 3.33 C ATOM 876 CD2 LEU A 62 2.248 -9.549 -4.106 1.00 2.13 C ATOM 0 H LEU A 62 3.738 -5.361 -6.077 1.00 33.35 H new ATOM 0 HA LEU A 62 2.393 -6.772 -3.864 1.00 33.01 H new ATOM 0 HB2 LEU A 62 2.835 -7.740 -6.161 1.00 1.32 H new ATOM 0 HB3 LEU A 62 4.550 -7.612 -5.824 1.00 1.32 H new ATOM 0 HG LEU A 62 3.697 -9.886 -5.639 1.00 41.13 H new ATOM 0 HD11 LEU A 62 4.668 -10.531 -3.481 1.00 3.33 H new ATOM 0 HD12 LEU A 62 5.673 -9.372 -4.385 1.00 3.33 H new ATOM 0 HD13 LEU A 62 4.698 -8.817 -3.003 1.00 3.33 H new ATOM 0 HD21 LEU A 62 2.279 -10.566 -3.714 1.00 2.13 H new ATOM 0 HD22 LEU A 62 2.076 -8.849 -3.288 1.00 2.13 H new ATOM 0 HD23 LEU A 62 1.439 -9.465 -4.832 1.00 2.13 H new ATOM 888 N LEU A 63 4.186 -6.544 -2.198 1.00 21.01 N ATOM 889 CA LEU A 63 5.174 -6.346 -1.174 1.00 2.45 C ATOM 890 C LEU A 63 5.642 -7.707 -0.704 1.00 55.42 C ATOM 891 O LEU A 63 4.809 -8.556 -0.315 1.00 31.23 O ATOM 892 CB LEU A 63 4.566 -5.570 -0.007 1.00 4.24 C ATOM 893 CG LEU A 63 3.829 -4.267 -0.353 1.00 61.41 C ATOM 894 CD1 LEU A 63 3.438 -3.516 0.904 1.00 45.00 C ATOM 895 CD2 LEU A 63 4.641 -3.392 -1.297 1.00 44.42 C ATOM 0 H LEU A 63 3.285 -6.874 -1.853 1.00 21.01 H new ATOM 0 HA LEU A 63 6.015 -5.773 -1.565 1.00 2.45 H new ATOM 0 HB2 LEU A 63 3.869 -6.228 0.512 1.00 4.24 H new ATOM 0 HB3 LEU A 63 5.364 -5.333 0.696 1.00 4.24 H new ATOM 0 HG LEU A 63 2.913 -4.537 -0.879 1.00 61.41 H new ATOM 0 HD11 LEU A 63 2.918 -2.597 0.632 1.00 45.00 H new ATOM 0 HD12 LEU A 63 2.781 -4.139 1.511 1.00 45.00 H new ATOM 0 HD13 LEU A 63 4.334 -3.270 1.475 1.00 45.00 H new ATOM 0 HD21 LEU A 63 4.085 -2.481 -1.517 1.00 44.42 H new ATOM 0 HD22 LEU A 63 5.590 -3.134 -0.828 1.00 44.42 H new ATOM 0 HD23 LEU A 63 4.830 -3.934 -2.223 1.00 44.42 H new ATOM 907 N ASP A 64 6.934 -7.953 -0.769 1.00 64.45 N ATOM 908 CA ASP A 64 7.446 -9.268 -0.405 1.00 54.04 C ATOM 909 C ASP A 64 8.706 -9.219 0.453 1.00 52.31 C ATOM 910 O ASP A 64 9.209 -10.272 0.858 1.00 2.25 O ATOM 911 CB ASP A 64 7.708 -10.138 -1.651 1.00 23.44 C ATOM 912 CG ASP A 64 8.870 -9.661 -2.507 1.00 43.14 C ATOM 913 OD1 ASP A 64 8.657 -8.860 -3.439 1.00 21.51 O ATOM 914 OD2 ASP A 64 10.008 -10.130 -2.302 1.00 60.01 O ATOM 0 H ASP A 64 7.640 -7.279 -1.063 1.00 64.45 H new ATOM 0 HA ASP A 64 6.659 -9.720 0.199 1.00 54.04 H new ATOM 0 HB2 ASP A 64 7.902 -11.162 -1.332 1.00 23.44 H new ATOM 0 HB3 ASP A 64 6.806 -10.160 -2.262 1.00 23.44 H new ATOM 919 N GLN A 65 9.185 -8.041 0.793 1.00 21.33 N ATOM 920 CA GLN A 65 10.420 -7.962 1.571 1.00 63.33 C ATOM 921 C GLN A 65 10.114 -7.553 2.991 1.00 62.24 C ATOM 922 O GLN A 65 9.136 -6.875 3.214 1.00 73.22 O ATOM 923 CB GLN A 65 11.458 -7.000 0.951 1.00 74.51 C ATOM 924 CG GLN A 65 11.016 -5.563 0.791 1.00 14.25 C ATOM 925 CD GLN A 65 12.137 -4.658 0.283 1.00 33.43 C ATOM 926 OE1 GLN A 65 11.891 -3.677 -0.412 1.00 2.23 O ATOM 927 NE2 GLN A 65 13.366 -4.968 0.632 1.00 35.53 N ATOM 0 H GLN A 65 8.759 -7.145 0.556 1.00 21.33 H new ATOM 0 HA GLN A 65 10.865 -8.957 1.562 1.00 63.33 H new ATOM 0 HB2 GLN A 65 12.355 -7.017 1.570 1.00 74.51 H new ATOM 0 HB3 GLN A 65 11.740 -7.384 -0.029 1.00 74.51 H new ATOM 0 HG2 GLN A 65 10.176 -5.520 0.097 1.00 14.25 H new ATOM 0 HG3 GLN A 65 10.657 -5.188 1.749 1.00 14.25 H new ATOM 0 HE21 GLN A 65 13.540 -5.790 1.211 1.00 35.53 H new ATOM 0 HE22 GLN A 65 14.146 -4.387 0.324 1.00 35.53 H new ATOM 936 N PRO A 66 10.974 -7.953 3.968 1.00 63.14 N ATOM 937 CA PRO A 66 10.783 -7.670 5.408 1.00 52.32 C ATOM 938 C PRO A 66 10.536 -6.194 5.752 1.00 74.31 C ATOM 939 O PRO A 66 9.965 -5.890 6.811 1.00 3.43 O ATOM 940 CB PRO A 66 12.099 -8.143 6.056 1.00 42.01 C ATOM 941 CG PRO A 66 13.028 -8.409 4.924 1.00 23.33 C ATOM 942 CD PRO A 66 12.172 -8.784 3.766 1.00 43.42 C ATOM 0 HA PRO A 66 9.886 -8.175 5.766 1.00 52.32 H new ATOM 0 HB2 PRO A 66 12.503 -7.382 6.724 1.00 42.01 H new ATOM 0 HB3 PRO A 66 11.941 -9.041 6.653 1.00 42.01 H new ATOM 0 HG2 PRO A 66 13.627 -7.527 4.696 1.00 23.33 H new ATOM 0 HG3 PRO A 66 13.723 -9.212 5.171 1.00 23.33 H new ATOM 0 HD2 PRO A 66 12.659 -8.568 2.815 1.00 43.42 H new ATOM 0 HD3 PRO A 66 11.932 -9.847 3.767 1.00 43.42 H new ATOM 950 N THR A 67 10.934 -5.292 4.880 1.00 61.11 N ATOM 951 CA THR A 67 10.751 -3.881 5.123 1.00 52.34 C ATOM 952 C THR A 67 10.395 -3.173 3.813 1.00 51.34 C ATOM 953 O THR A 67 11.142 -3.236 2.852 1.00 60.52 O ATOM 954 CB THR A 67 12.058 -3.277 5.685 1.00 31.23 C ATOM 955 OG1 THR A 67 12.444 -3.990 6.867 1.00 60.53 O ATOM 956 CG2 THR A 67 11.894 -1.802 6.010 1.00 71.42 C ATOM 0 H THR A 67 11.388 -5.514 3.994 1.00 61.11 H new ATOM 0 HA THR A 67 9.944 -3.745 5.843 1.00 52.34 H new ATOM 0 HB THR A 67 12.831 -3.370 4.922 1.00 31.23 H new ATOM 0 HG1 THR A 67 13.274 -3.608 7.223 1.00 60.53 H new ATOM 0 HG21 THR A 67 12.832 -1.410 6.403 1.00 71.42 H new ATOM 0 HG22 THR A 67 11.624 -1.258 5.105 1.00 71.42 H new ATOM 0 HG23 THR A 67 11.109 -1.679 6.756 1.00 71.42 H new ATOM 964 N THR A 68 9.271 -2.523 3.774 1.00 11.30 N ATOM 965 CA THR A 68 8.856 -1.791 2.610 1.00 13.34 C ATOM 966 C THR A 68 8.457 -0.374 3.024 1.00 73.41 C ATOM 967 O THR A 68 7.488 -0.192 3.735 1.00 22.01 O ATOM 968 CB THR A 68 7.633 -2.488 1.994 1.00 34.33 C ATOM 969 OG1 THR A 68 7.967 -3.852 1.699 1.00 32.23 O ATOM 970 CG2 THR A 68 7.176 -1.787 0.728 1.00 53.35 C ATOM 0 H THR A 68 8.611 -2.484 4.551 1.00 11.30 H new ATOM 0 HA THR A 68 9.671 -1.752 1.888 1.00 13.34 H new ATOM 0 HB THR A 68 6.815 -2.449 2.713 1.00 34.33 H new ATOM 0 HG1 THR A 68 7.189 -4.302 1.307 1.00 32.23 H new ATOM 0 HG21 THR A 68 6.309 -2.305 0.318 1.00 53.35 H new ATOM 0 HG22 THR A 68 6.906 -0.757 0.960 1.00 53.35 H new ATOM 0 HG23 THR A 68 7.984 -1.795 -0.004 1.00 53.35 H new ATOM 978 N THR A 69 9.192 0.609 2.607 1.00 61.22 N ATOM 979 CA THR A 69 8.838 1.962 2.953 1.00 74.42 C ATOM 980 C THR A 69 7.991 2.583 1.829 1.00 64.53 C ATOM 981 O THR A 69 8.218 2.289 0.637 1.00 11.02 O ATOM 982 CB THR A 69 10.099 2.789 3.206 1.00 31.24 C ATOM 983 OG1 THR A 69 11.015 1.993 3.982 1.00 3.14 O ATOM 984 CG2 THR A 69 9.756 4.041 3.995 1.00 53.45 C ATOM 0 H THR A 69 10.030 0.510 2.034 1.00 61.22 H new ATOM 0 HA THR A 69 8.247 1.956 3.869 1.00 74.42 H new ATOM 0 HB THR A 69 10.542 3.077 2.252 1.00 31.24 H new ATOM 0 HG1 THR A 69 10.880 2.175 4.935 1.00 3.14 H new ATOM 0 HG21 THR A 69 10.662 4.621 4.169 1.00 53.45 H new ATOM 0 HG22 THR A 69 9.043 4.642 3.431 1.00 53.45 H new ATOM 0 HG23 THR A 69 9.317 3.759 4.952 1.00 53.45 H new ATOM 992 N ALA A 70 7.011 3.396 2.202 1.00 11.33 N ATOM 993 CA ALA A 70 6.113 4.015 1.259 1.00 52.12 C ATOM 994 C ALA A 70 6.147 5.529 1.369 1.00 52.42 C ATOM 995 O ALA A 70 6.094 6.105 2.510 1.00 24.41 O ATOM 996 CB ALA A 70 4.700 3.525 1.501 1.00 20.01 C ATOM 0 H ALA A 70 6.823 3.640 3.174 1.00 11.33 H new ATOM 0 HA ALA A 70 6.438 3.738 0.256 1.00 52.12 H new ATOM 0 HB1 ALA A 70 4.024 3.995 0.786 1.00 20.01 H new ATOM 0 HB2 ALA A 70 4.664 2.443 1.377 1.00 20.01 H new ATOM 0 HB3 ALA A 70 4.394 3.784 2.514 1.00 20.01 H new ATOM 1002 N GLY A 71 6.207 6.164 0.200 1.00 60.34 N ATOM 1003 CA GLY A 71 6.194 7.595 0.094 1.00 24.43 C ATOM 1004 C GLY A 71 7.042 8.085 -1.070 1.00 42.11 C ATOM 1005 O GLY A 71 7.078 7.458 -2.138 1.00 10.24 O ATOM 0 H GLY A 71 6.266 5.683 -0.698 1.00 60.34 H new ATOM 0 HA2 GLY A 71 5.168 7.940 -0.034 1.00 24.43 H new ATOM 0 HA3 GLY A 71 6.564 8.031 1.022 1.00 24.43 H new ATOM 1009 N ARG A 72 7.705 9.181 -0.834 1.00 10.04 N ATOM 1010 CA ARG A 72 8.618 9.858 -1.746 1.00 62.30 C ATOM 1011 C ARG A 72 10.017 9.304 -1.594 1.00 43.41 C ATOM 1012 O ARG A 72 10.323 8.687 -0.568 1.00 24.25 O ATOM 1013 CB ARG A 72 8.618 11.383 -1.539 1.00 34.44 C ATOM 1014 CG ARG A 72 7.500 12.142 -2.250 1.00 44.10 C ATOM 1015 CD ARG A 72 7.774 12.219 -3.753 1.00 4.05 C ATOM 1016 NE ARG A 72 6.833 13.092 -4.473 1.00 22.41 N ATOM 1017 CZ ARG A 72 6.838 14.446 -4.451 1.00 32.03 C ATOM 1018 NH1 ARG A 72 7.758 15.126 -3.759 1.00 13.55 N ATOM 1019 NH2 ARG A 72 5.959 15.099 -5.179 1.00 23.22 N ATOM 0 H ARG A 72 7.625 9.668 0.059 1.00 10.04 H new ATOM 0 HA ARG A 72 8.266 9.669 -2.760 1.00 62.30 H new ATOM 0 HB2 ARG A 72 8.550 11.587 -0.470 1.00 34.44 H new ATOM 0 HB3 ARG A 72 9.575 11.778 -1.879 1.00 34.44 H new ATOM 0 HG2 ARG A 72 6.546 11.645 -2.074 1.00 44.10 H new ATOM 0 HG3 ARG A 72 7.416 13.148 -1.838 1.00 44.10 H new ATOM 0 HD2 ARG A 72 8.789 12.582 -3.912 1.00 4.05 H new ATOM 0 HD3 ARG A 72 7.724 11.216 -4.176 1.00 4.05 H new ATOM 0 HE ARG A 72 6.115 12.638 -5.037 1.00 22.41 H new ATOM 0 HH11 ARG A 72 8.475 14.625 -3.234 1.00 13.55 H new ATOM 0 HH12 ARG A 72 7.743 16.146 -3.756 1.00 13.55 H new ATOM 0 HH21 ARG A 72 5.287 14.586 -5.749 1.00 23.22 H new ATOM 0 HH22 ARG A 72 5.949 16.119 -5.174 1.00 23.22 H new ATOM 1033 N HIS A 73 10.803 9.431 -2.670 1.00 60.35 N ATOM 1034 CA HIS A 73 12.201 8.981 -2.771 1.00 55.53 C ATOM 1035 C HIS A 73 12.278 7.547 -3.259 1.00 12.24 C ATOM 1036 O HIS A 73 11.607 6.663 -2.725 1.00 10.15 O ATOM 1037 CB HIS A 73 13.037 9.129 -1.461 1.00 23.33 C ATOM 1038 CG HIS A 73 13.225 10.512 -0.890 1.00 4.51 C ATOM 1039 ND1 HIS A 73 14.118 10.781 0.121 1.00 61.22 N ATOM 1040 CD2 HIS A 73 12.603 11.690 -1.157 1.00 11.01 C ATOM 1041 CE1 HIS A 73 14.022 12.066 0.440 1.00 63.24 C ATOM 1042 NE2 HIS A 73 13.113 12.676 -0.309 1.00 45.42 N ATOM 0 H HIS A 73 10.471 9.867 -3.530 1.00 60.35 H new ATOM 0 HA HIS A 73 12.652 9.657 -3.498 1.00 55.53 H new ATOM 0 HB2 HIS A 73 12.567 8.513 -0.694 1.00 23.33 H new ATOM 0 HB3 HIS A 73 14.025 8.708 -1.647 1.00 23.33 H new ATOM 0 HD1 HIS A 73 14.749 10.106 0.553 1.00 61.22 H new ATOM 0 HD2 HIS A 73 11.838 11.840 -1.904 1.00 11.01 H new ATOM 0 HE1 HIS A 73 14.607 12.551 1.208 1.00 63.24 H new ATOM 1050 N PRO A 74 13.109 7.279 -4.285 1.00 61.41 N ATOM 1051 CA PRO A 74 13.295 5.925 -4.827 1.00 15.41 C ATOM 1052 C PRO A 74 13.969 4.956 -3.831 1.00 3.20 C ATOM 1053 O PRO A 74 14.164 3.782 -4.141 1.00 31.42 O ATOM 1054 CB PRO A 74 14.178 6.135 -6.065 1.00 22.51 C ATOM 1055 CG PRO A 74 14.853 7.442 -5.842 1.00 75.23 C ATOM 1056 CD PRO A 74 13.900 8.281 -5.034 1.00 72.43 C ATOM 0 HA PRO A 74 12.336 5.459 -5.051 1.00 15.41 H new ATOM 0 HB2 PRO A 74 14.904 5.329 -6.172 1.00 22.51 H new ATOM 0 HB3 PRO A 74 13.581 6.150 -6.977 1.00 22.51 H new ATOM 0 HG2 PRO A 74 15.796 7.307 -5.312 1.00 75.23 H new ATOM 0 HG3 PRO A 74 15.087 7.925 -6.791 1.00 75.23 H new ATOM 0 HD2 PRO A 74 14.430 8.957 -4.363 1.00 72.43 H new ATOM 0 HD3 PRO A 74 13.267 8.897 -5.673 1.00 72.43 H new ATOM 1064 N GLU A 75 14.354 5.467 -2.653 1.00 44.21 N ATOM 1065 CA GLU A 75 14.885 4.627 -1.577 1.00 63.44 C ATOM 1066 C GLU A 75 13.734 3.835 -0.953 1.00 25.34 C ATOM 1067 O GLU A 75 13.927 2.754 -0.395 1.00 5.43 O ATOM 1068 CB GLU A 75 15.616 5.472 -0.504 1.00 50.10 C ATOM 1069 CG GLU A 75 14.738 6.509 0.185 1.00 64.12 C ATOM 1070 CD GLU A 75 15.473 7.357 1.198 1.00 75.11 C ATOM 1071 OE1 GLU A 75 15.670 6.908 2.348 1.00 41.52 O ATOM 1072 OE2 GLU A 75 15.843 8.503 0.880 1.00 41.45 O ATOM 0 H GLU A 75 14.306 6.460 -2.424 1.00 44.21 H new ATOM 0 HA GLU A 75 15.620 3.939 -1.995 1.00 63.44 H new ATOM 0 HB2 GLU A 75 16.027 4.802 0.251 1.00 50.10 H new ATOM 0 HB3 GLU A 75 16.459 5.980 -0.972 1.00 50.10 H new ATOM 0 HG2 GLU A 75 14.301 7.161 -0.571 1.00 64.12 H new ATOM 0 HG3 GLU A 75 13.913 5.999 0.682 1.00 64.12 H new ATOM 1079 N SER A 76 12.537 4.378 -1.073 1.00 61.04 N ATOM 1080 CA SER A 76 11.350 3.717 -0.630 1.00 11.22 C ATOM 1081 C SER A 76 10.985 2.675 -1.691 1.00 31.53 C ATOM 1082 O SER A 76 11.211 2.907 -2.888 1.00 23.40 O ATOM 1083 CB SER A 76 10.235 4.759 -0.455 1.00 50.02 C ATOM 1084 OG SER A 76 10.657 5.794 0.442 1.00 34.25 O ATOM 0 H SER A 76 12.373 5.297 -1.485 1.00 61.04 H new ATOM 0 HA SER A 76 11.494 3.220 0.329 1.00 11.22 H new ATOM 0 HB2 SER A 76 9.976 5.190 -1.422 1.00 50.02 H new ATOM 0 HB3 SER A 76 9.336 4.278 -0.069 1.00 50.02 H new ATOM 0 HG SER A 76 10.495 6.669 0.031 1.00 34.25 H new ATOM 1090 N ASP A 77 10.475 1.528 -1.273 1.00 44.42 N ATOM 1091 CA ASP A 77 10.154 0.451 -2.219 1.00 24.21 C ATOM 1092 C ASP A 77 8.977 0.822 -3.087 1.00 74.01 C ATOM 1093 O ASP A 77 9.027 0.683 -4.310 1.00 73.33 O ATOM 1094 CB ASP A 77 9.916 -0.884 -1.516 1.00 60.24 C ATOM 1095 CG ASP A 77 9.536 -2.007 -2.479 1.00 64.33 C ATOM 1096 OD1 ASP A 77 10.314 -2.303 -3.419 1.00 11.23 O ATOM 1097 OD2 ASP A 77 8.465 -2.609 -2.322 1.00 60.45 O ATOM 0 H ASP A 77 10.273 1.312 -0.297 1.00 44.42 H new ATOM 0 HA ASP A 77 11.025 0.323 -2.861 1.00 24.21 H new ATOM 0 HB2 ASP A 77 10.817 -1.168 -0.973 1.00 60.24 H new ATOM 0 HB3 ASP A 77 9.124 -0.763 -0.777 1.00 60.24 H new ATOM 1102 N ILE A 78 7.946 1.346 -2.484 1.00 72.12 N ATOM 1103 CA ILE A 78 6.806 1.777 -3.239 1.00 44.25 C ATOM 1104 C ILE A 78 6.731 3.289 -3.295 1.00 64.42 C ATOM 1105 O ILE A 78 6.485 3.972 -2.285 1.00 14.13 O ATOM 1106 CB ILE A 78 5.472 1.129 -2.785 1.00 21.41 C ATOM 1107 CG1 ILE A 78 5.245 1.290 -1.275 1.00 11.01 C ATOM 1108 CG2 ILE A 78 5.465 -0.340 -3.177 1.00 21.51 C ATOM 1109 CD1 ILE A 78 3.930 0.722 -0.788 1.00 64.14 C ATOM 0 H ILE A 78 7.873 1.484 -1.476 1.00 72.12 H new ATOM 0 HA ILE A 78 6.955 1.414 -4.256 1.00 44.25 H new ATOM 0 HB ILE A 78 4.652 1.643 -3.287 1.00 21.41 H new ATOM 0 HG12 ILE A 78 6.060 0.802 -0.741 1.00 11.01 H new ATOM 0 HG13 ILE A 78 5.288 2.349 -1.022 1.00 11.01 H new ATOM 0 HG21 ILE A 78 4.528 -0.797 -2.859 1.00 21.51 H new ATOM 0 HG22 ILE A 78 5.563 -0.428 -4.259 1.00 21.51 H new ATOM 0 HG23 ILE A 78 6.299 -0.849 -2.695 1.00 21.51 H new ATOM 0 HD11 ILE A 78 3.844 0.874 0.288 1.00 64.14 H new ATOM 0 HD12 ILE A 78 3.106 1.227 -1.293 1.00 64.14 H new ATOM 0 HD13 ILE A 78 3.891 -0.345 -1.007 1.00 64.14 H new ATOM 1121 N PHE A 79 6.997 3.802 -4.467 1.00 3.45 N ATOM 1122 CA PHE A 79 7.034 5.211 -4.699 1.00 14.51 C ATOM 1123 C PHE A 79 5.654 5.731 -5.056 1.00 71.33 C ATOM 1124 O PHE A 79 5.071 5.362 -6.090 1.00 12.43 O ATOM 1125 CB PHE A 79 8.049 5.537 -5.804 1.00 55.24 C ATOM 1126 CG PHE A 79 8.176 6.996 -6.109 1.00 1.23 C ATOM 1127 CD1 PHE A 79 8.789 7.845 -5.217 1.00 61.43 C ATOM 1128 CD2 PHE A 79 7.670 7.518 -7.283 1.00 21.23 C ATOM 1129 CE1 PHE A 79 8.896 9.184 -5.492 1.00 61.31 C ATOM 1130 CE2 PHE A 79 7.775 8.860 -7.560 1.00 21.14 C ATOM 1131 CZ PHE A 79 8.389 9.691 -6.661 1.00 40.41 C ATOM 0 H PHE A 79 7.196 3.240 -5.295 1.00 3.45 H new ATOM 0 HA PHE A 79 7.351 5.710 -3.783 1.00 14.51 H new ATOM 0 HB2 PHE A 79 9.026 5.152 -5.510 1.00 55.24 H new ATOM 0 HB3 PHE A 79 7.760 5.011 -6.714 1.00 55.24 H new ATOM 0 HD1 PHE A 79 9.189 7.454 -4.293 1.00 61.43 H new ATOM 0 HD2 PHE A 79 7.186 6.863 -7.992 1.00 21.23 H new ATOM 0 HE1 PHE A 79 9.381 9.841 -4.786 1.00 61.31 H new ATOM 0 HE2 PHE A 79 7.376 9.257 -8.481 1.00 21.14 H new ATOM 0 HZ PHE A 79 8.474 10.747 -6.873 1.00 40.41 H new ATOM 1141 N LEU A 80 5.155 6.563 -4.201 1.00 50.21 N ATOM 1142 CA LEU A 80 3.863 7.192 -4.333 1.00 72.54 C ATOM 1143 C LEU A 80 4.129 8.671 -4.461 1.00 21.21 C ATOM 1144 O LEU A 80 5.034 9.195 -3.791 1.00 63.32 O ATOM 1145 CB LEU A 80 3.052 6.941 -3.055 1.00 50.42 C ATOM 1146 CG LEU A 80 2.878 5.475 -2.631 1.00 72.35 C ATOM 1147 CD1 LEU A 80 2.190 5.399 -1.279 1.00 24.13 C ATOM 1148 CD2 LEU A 80 2.082 4.698 -3.675 1.00 3.44 C ATOM 0 H LEU A 80 5.650 6.840 -3.353 1.00 50.21 H new ATOM 0 HA LEU A 80 3.310 6.804 -5.188 1.00 72.54 H new ATOM 0 HB2 LEU A 80 3.530 7.479 -2.236 1.00 50.42 H new ATOM 0 HB3 LEU A 80 2.062 7.378 -3.188 1.00 50.42 H new ATOM 0 HG LEU A 80 3.866 5.022 -2.550 1.00 72.35 H new ATOM 0 HD11 LEU A 80 2.072 4.355 -0.989 1.00 24.13 H new ATOM 0 HD12 LEU A 80 2.794 5.917 -0.534 1.00 24.13 H new ATOM 0 HD13 LEU A 80 1.209 5.871 -1.343 1.00 24.13 H new ATOM 0 HD21 LEU A 80 1.972 3.663 -3.352 1.00 3.44 H new ATOM 0 HD22 LEU A 80 1.096 5.149 -3.791 1.00 3.44 H new ATOM 0 HD23 LEU A 80 2.608 4.727 -4.629 1.00 3.44 H new ATOM 1160 N ASP A 81 3.414 9.349 -5.308 1.00 14.32 N ATOM 1161 CA ASP A 81 3.673 10.767 -5.451 1.00 32.24 C ATOM 1162 C ASP A 81 2.783 11.555 -4.523 1.00 40.05 C ATOM 1163 O ASP A 81 1.558 11.545 -4.657 1.00 15.23 O ATOM 1164 CB ASP A 81 3.519 11.246 -6.892 1.00 52.24 C ATOM 1165 CG ASP A 81 3.933 12.689 -7.032 1.00 5.51 C ATOM 1166 OD1 ASP A 81 5.077 13.017 -6.673 1.00 23.30 O ATOM 1167 OD2 ASP A 81 3.131 13.529 -7.474 1.00 34.21 O ATOM 0 H ASP A 81 2.671 8.970 -5.895 1.00 14.32 H new ATOM 0 HA ASP A 81 4.714 10.938 -5.176 1.00 32.24 H new ATOM 0 HB2 ASP A 81 4.125 10.625 -7.552 1.00 52.24 H new ATOM 0 HB3 ASP A 81 2.482 11.130 -7.208 1.00 52.24 H new ATOM 1172 N ASP A 82 3.397 12.248 -3.603 1.00 3.25 N ATOM 1173 CA ASP A 82 2.673 12.987 -2.589 1.00 74.31 C ATOM 1174 C ASP A 82 2.589 14.467 -2.971 1.00 65.32 C ATOM 1175 O ASP A 82 3.226 14.901 -3.936 1.00 43.41 O ATOM 1176 CB ASP A 82 3.354 12.800 -1.217 1.00 74.24 C ATOM 1177 CG ASP A 82 2.600 13.460 -0.079 1.00 31.21 C ATOM 1178 OD1 ASP A 82 1.661 12.864 0.436 1.00 62.31 O ATOM 1179 OD2 ASP A 82 2.926 14.613 0.256 1.00 12.24 O ATOM 0 H ASP A 82 4.412 12.320 -3.530 1.00 3.25 H new ATOM 0 HA ASP A 82 1.656 12.602 -2.520 1.00 74.31 H new ATOM 0 HB2 ASP A 82 3.451 11.734 -1.010 1.00 74.24 H new ATOM 0 HB3 ASP A 82 4.363 13.210 -1.261 1.00 74.24 H new ATOM 1184 N VAL A 83 1.818 15.217 -2.227 1.00 64.11 N ATOM 1185 CA VAL A 83 1.583 16.621 -2.456 1.00 22.52 C ATOM 1186 C VAL A 83 2.797 17.436 -1.979 1.00 2.25 C ATOM 1187 O VAL A 83 3.105 18.509 -2.524 1.00 34.31 O ATOM 1188 CB VAL A 83 0.314 17.075 -1.684 1.00 33.11 C ATOM 1189 CG1 VAL A 83 -0.039 18.516 -1.991 1.00 33.45 C ATOM 1190 CG2 VAL A 83 -0.858 16.158 -1.992 1.00 32.23 C ATOM 0 H VAL A 83 1.318 14.855 -1.415 1.00 64.11 H new ATOM 0 HA VAL A 83 1.434 16.788 -3.523 1.00 22.52 H new ATOM 0 HB VAL A 83 0.535 17.010 -0.619 1.00 33.11 H new ATOM 0 HG11 VAL A 83 -0.932 18.799 -1.433 1.00 33.45 H new ATOM 0 HG12 VAL A 83 0.789 19.163 -1.702 1.00 33.45 H new ATOM 0 HG13 VAL A 83 -0.229 18.625 -3.059 1.00 33.45 H new ATOM 0 HG21 VAL A 83 -1.737 16.493 -1.441 1.00 32.23 H new ATOM 0 HG22 VAL A 83 -1.068 16.183 -3.061 1.00 32.23 H new ATOM 0 HG23 VAL A 83 -0.611 15.139 -1.695 1.00 32.23 H new ATOM 1200 N THR A 84 3.482 16.930 -0.996 1.00 10.43 N ATOM 1201 CA THR A 84 4.647 17.573 -0.464 1.00 71.43 C ATOM 1202 C THR A 84 5.779 16.530 -0.365 1.00 12.24 C ATOM 1203 O THR A 84 5.731 15.474 -1.030 1.00 25.13 O ATOM 1204 CB THR A 84 4.331 18.254 0.925 1.00 74.45 C ATOM 1205 OG1 THR A 84 5.473 18.977 1.433 1.00 3.45 O ATOM 1206 CG2 THR A 84 3.871 17.243 1.961 1.00 54.21 C ATOM 0 H THR A 84 3.245 16.051 -0.537 1.00 10.43 H new ATOM 0 HA THR A 84 4.970 18.376 -1.127 1.00 71.43 H new ATOM 0 HB THR A 84 3.519 18.958 0.743 1.00 74.45 H new ATOM 0 HG1 THR A 84 5.166 19.735 1.973 1.00 3.45 H new ATOM 0 HG21 THR A 84 3.664 17.754 2.901 1.00 54.21 H new ATOM 0 HG22 THR A 84 2.965 16.749 1.610 1.00 54.21 H new ATOM 0 HG23 THR A 84 4.653 16.500 2.116 1.00 54.21 H new ATOM 1214 N VAL A 85 6.802 16.819 0.395 1.00 11.52 N ATOM 1215 CA VAL A 85 7.880 15.892 0.534 1.00 1.34 C ATOM 1216 C VAL A 85 7.524 14.876 1.607 1.00 53.32 C ATOM 1217 O VAL A 85 7.654 15.125 2.802 1.00 44.32 O ATOM 1218 CB VAL A 85 9.227 16.595 0.891 1.00 65.45 C ATOM 1219 CG1 VAL A 85 10.378 15.590 0.959 1.00 62.23 C ATOM 1220 CG2 VAL A 85 9.546 17.702 -0.111 1.00 10.52 C ATOM 0 H VAL A 85 6.906 17.686 0.923 1.00 11.52 H new ATOM 0 HA VAL A 85 8.024 15.398 -0.427 1.00 1.34 H new ATOM 0 HB VAL A 85 9.111 17.044 1.878 1.00 65.45 H new ATOM 0 HG11 VAL A 85 11.302 16.111 1.210 1.00 62.23 H new ATOM 0 HG12 VAL A 85 10.164 14.843 1.723 1.00 62.23 H new ATOM 0 HG13 VAL A 85 10.489 15.099 -0.008 1.00 62.23 H new ATOM 0 HG21 VAL A 85 10.489 18.177 0.159 1.00 10.52 H new ATOM 0 HG22 VAL A 85 9.628 17.275 -1.111 1.00 10.52 H new ATOM 0 HG23 VAL A 85 8.749 18.445 -0.098 1.00 10.52 H new ATOM 1230 N SER A 86 7.043 13.755 1.176 1.00 64.33 N ATOM 1231 CA SER A 86 6.737 12.677 2.059 1.00 1.53 C ATOM 1232 C SER A 86 7.935 11.751 2.054 1.00 13.23 C ATOM 1233 O SER A 86 7.946 10.756 1.357 1.00 52.42 O ATOM 1234 CB SER A 86 5.470 11.946 1.578 1.00 22.21 C ATOM 1235 OG SER A 86 4.995 11.009 2.528 1.00 22.43 O ATOM 0 H SER A 86 6.850 13.560 0.194 1.00 64.33 H new ATOM 0 HA SER A 86 6.539 13.035 3.070 1.00 1.53 H new ATOM 0 HB2 SER A 86 4.689 12.677 1.370 1.00 22.21 H new ATOM 0 HB3 SER A 86 5.684 11.433 0.640 1.00 22.21 H new ATOM 0 HG SER A 86 4.190 10.571 2.181 1.00 22.43 H new ATOM 1241 N ARG A 87 8.978 12.144 2.779 1.00 54.31 N ATOM 1242 CA ARG A 87 10.253 11.419 2.757 1.00 3.51 C ATOM 1243 C ARG A 87 10.104 9.944 3.138 1.00 34.11 C ATOM 1244 O ARG A 87 10.636 9.086 2.469 1.00 10.40 O ATOM 1245 CB ARG A 87 11.338 12.175 3.580 1.00 64.54 C ATOM 1246 CG ARG A 87 11.032 12.422 5.071 1.00 22.14 C ATOM 1247 CD ARG A 87 11.526 11.285 5.962 1.00 13.43 C ATOM 1248 NE ARG A 87 11.144 11.480 7.373 1.00 72.25 N ATOM 1249 CZ ARG A 87 11.215 10.513 8.331 1.00 74.33 C ATOM 1250 NH1 ARG A 87 11.958 9.430 8.126 1.00 43.00 N ATOM 1251 NH2 ARG A 87 10.645 10.692 9.522 1.00 52.52 N ATOM 0 H ARG A 87 8.970 12.960 3.391 1.00 54.31 H new ATOM 0 HA ARG A 87 10.604 11.398 1.725 1.00 3.51 H new ATOM 0 HB2 ARG A 87 12.269 11.612 3.513 1.00 64.54 H new ATOM 0 HB3 ARG A 87 11.514 13.140 3.105 1.00 64.54 H new ATOM 0 HG2 ARG A 87 11.499 13.355 5.385 1.00 22.14 H new ATOM 0 HG3 ARG A 87 9.957 12.543 5.203 1.00 22.14 H new ATOM 0 HD2 ARG A 87 11.117 10.340 5.603 1.00 13.43 H new ATOM 0 HD3 ARG A 87 12.611 11.212 5.887 1.00 13.43 H new ATOM 0 HE ARG A 87 10.804 12.401 7.651 1.00 72.25 H new ATOM 0 HH11 ARG A 87 12.474 9.323 7.253 1.00 43.00 H new ATOM 0 HH12 ARG A 87 12.012 8.706 8.842 1.00 43.00 H new ATOM 0 HH21 ARG A 87 10.149 11.560 9.725 1.00 52.52 H new ATOM 0 HH22 ARG A 87 10.705 9.961 10.231 1.00 52.52 H new ATOM 1265 N ARG A 88 9.340 9.686 4.182 1.00 44.54 N ATOM 1266 CA ARG A 88 9.023 8.348 4.674 1.00 72.03 C ATOM 1267 C ARG A 88 7.845 8.506 5.571 1.00 1.34 C ATOM 1268 O ARG A 88 8.002 8.938 6.706 1.00 62.14 O ATOM 1269 CB ARG A 88 10.183 7.688 5.485 1.00 61.33 C ATOM 1270 CG ARG A 88 11.406 7.305 4.674 1.00 75.21 C ATOM 1271 CD ARG A 88 12.533 6.774 5.532 1.00 43.35 C ATOM 1272 NE ARG A 88 12.236 5.508 6.207 1.00 12.44 N ATOM 1273 CZ ARG A 88 12.905 5.064 7.277 1.00 12.32 C ATOM 1274 NH1 ARG A 88 13.839 5.834 7.844 1.00 75.21 N ATOM 1275 NH2 ARG A 88 12.653 3.860 7.773 1.00 23.44 N ATOM 0 H ARG A 88 8.905 10.425 4.734 1.00 44.54 H new ATOM 0 HA ARG A 88 8.839 7.696 3.820 1.00 72.03 H new ATOM 0 HB2 ARG A 88 10.491 8.376 6.272 1.00 61.33 H new ATOM 0 HB3 ARG A 88 9.798 6.794 5.975 1.00 61.33 H new ATOM 0 HG2 ARG A 88 11.128 6.550 3.939 1.00 75.21 H new ATOM 0 HG3 ARG A 88 11.756 8.176 4.119 1.00 75.21 H new ATOM 0 HD2 ARG A 88 13.416 6.640 4.908 1.00 43.35 H new ATOM 0 HD3 ARG A 88 12.784 7.522 6.284 1.00 43.35 H new ATOM 0 HE ARG A 88 11.477 4.933 5.841 1.00 12.44 H new ATOM 0 HH11 ARG A 88 14.040 6.758 7.461 1.00 75.21 H new ATOM 0 HH12 ARG A 88 14.351 5.498 8.660 1.00 75.21 H new ATOM 0 HH21 ARG A 88 11.946 3.267 7.338 1.00 23.44 H new ATOM 0 HH22 ARG A 88 13.166 3.527 8.589 1.00 23.44 H new ATOM 1289 N HIS A 89 6.673 8.260 5.054 1.00 33.12 N ATOM 1290 CA HIS A 89 5.488 8.420 5.855 1.00 20.43 C ATOM 1291 C HIS A 89 5.132 7.092 6.505 1.00 12.21 C ATOM 1292 O HIS A 89 5.021 6.991 7.737 1.00 44.40 O ATOM 1293 CB HIS A 89 4.319 8.970 4.991 1.00 63.40 C ATOM 1294 CG HIS A 89 3.049 9.283 5.755 1.00 75.11 C ATOM 1295 ND1 HIS A 89 1.845 9.477 5.113 1.00 45.41 N ATOM 1296 CD2 HIS A 89 2.857 9.404 7.080 1.00 55.22 C ATOM 1297 CE1 HIS A 89 0.965 9.695 6.063 1.00 62.34 C ATOM 1298 NE2 HIS A 89 1.529 9.657 7.276 1.00 13.15 N ATOM 0 H HIS A 89 6.512 7.952 4.095 1.00 33.12 H new ATOM 0 HA HIS A 89 5.676 9.147 6.645 1.00 20.43 H new ATOM 0 HB2 HIS A 89 4.655 9.877 4.488 1.00 63.40 H new ATOM 0 HB3 HIS A 89 4.087 8.241 4.214 1.00 63.40 H new ATOM 0 HD2 HIS A 89 3.612 9.317 7.847 1.00 55.22 H new ATOM 0 HE1 HIS A 89 -0.084 9.882 5.887 1.00 62.34 H new ATOM 0 HE2 HIS A 89 1.059 9.791 8.171 1.00 13.15 H new ATOM 1306 N ALA A 90 5.042 6.057 5.709 1.00 54.13 N ATOM 1307 CA ALA A 90 4.641 4.789 6.257 1.00 22.22 C ATOM 1308 C ALA A 90 5.613 3.730 5.870 1.00 74.24 C ATOM 1309 O ALA A 90 6.263 3.819 4.823 1.00 5.43 O ATOM 1310 CB ALA A 90 3.246 4.415 5.794 1.00 30.23 C ATOM 0 H ALA A 90 5.235 6.065 4.707 1.00 54.13 H new ATOM 0 HA ALA A 90 4.627 4.877 7.343 1.00 22.22 H new ATOM 0 HB1 ALA A 90 2.966 3.452 6.222 1.00 30.23 H new ATOM 0 HB2 ALA A 90 2.538 5.177 6.120 1.00 30.23 H new ATOM 0 HB3 ALA A 90 3.230 4.347 4.706 1.00 30.23 H new ATOM 1316 N GLU A 91 5.751 2.756 6.700 1.00 73.42 N ATOM 1317 CA GLU A 91 6.607 1.672 6.419 1.00 42.23 C ATOM 1318 C GLU A 91 5.918 0.387 6.814 1.00 2.30 C ATOM 1319 O GLU A 91 5.336 0.286 7.882 1.00 55.34 O ATOM 1320 CB GLU A 91 7.936 1.861 7.140 1.00 73.54 C ATOM 1321 CG GLU A 91 8.997 0.852 6.782 1.00 74.43 C ATOM 1322 CD GLU A 91 10.327 1.230 7.346 1.00 34.02 C ATOM 1323 OE1 GLU A 91 11.056 2.006 6.686 1.00 53.34 O ATOM 1324 OE2 GLU A 91 10.674 0.772 8.454 1.00 72.03 O ATOM 0 H GLU A 91 5.268 2.694 7.596 1.00 73.42 H new ATOM 0 HA GLU A 91 6.825 1.624 5.352 1.00 42.23 H new ATOM 0 HB2 GLU A 91 8.314 2.859 6.920 1.00 73.54 H new ATOM 0 HB3 GLU A 91 7.760 1.817 8.215 1.00 73.54 H new ATOM 0 HG2 GLU A 91 8.708 -0.130 7.157 1.00 74.43 H new ATOM 0 HG3 GLU A 91 9.071 0.770 5.698 1.00 74.43 H new ATOM 1331 N PHE A 92 5.989 -0.564 5.959 1.00 24.01 N ATOM 1332 CA PHE A 92 5.367 -1.832 6.142 1.00 43.35 C ATOM 1333 C PHE A 92 6.451 -2.784 6.504 1.00 40.13 C ATOM 1334 O PHE A 92 7.429 -2.934 5.774 1.00 54.23 O ATOM 1335 CB PHE A 92 4.716 -2.313 4.829 1.00 11.22 C ATOM 1336 CG PHE A 92 3.630 -1.428 4.274 1.00 13.03 C ATOM 1337 CD1 PHE A 92 3.928 -0.208 3.676 1.00 12.05 C ATOM 1338 CD2 PHE A 92 2.314 -1.828 4.328 1.00 15.31 C ATOM 1339 CE1 PHE A 92 2.930 0.587 3.156 1.00 22.21 C ATOM 1340 CE2 PHE A 92 1.313 -1.037 3.811 1.00 51.13 C ATOM 1341 CZ PHE A 92 1.621 0.173 3.224 1.00 40.11 C ATOM 0 H PHE A 92 6.499 -0.483 5.079 1.00 24.01 H new ATOM 0 HA PHE A 92 4.594 -1.768 6.908 1.00 43.35 H new ATOM 0 HB2 PHE A 92 5.496 -2.416 4.075 1.00 11.22 H new ATOM 0 HB3 PHE A 92 4.300 -3.307 4.994 1.00 11.22 H new ATOM 0 HD1 PHE A 92 4.955 0.120 3.619 1.00 12.05 H new ATOM 0 HD2 PHE A 92 2.063 -2.775 4.782 1.00 15.31 H new ATOM 0 HE1 PHE A 92 3.176 1.533 2.696 1.00 22.21 H new ATOM 0 HE2 PHE A 92 0.285 -1.364 3.865 1.00 51.13 H new ATOM 0 HZ PHE A 92 0.835 0.794 2.819 1.00 40.11 H new ATOM 1351 N ARG A 93 6.333 -3.363 7.632 1.00 62.10 N ATOM 1352 CA ARG A 93 7.303 -4.285 8.091 1.00 40.52 C ATOM 1353 C ARG A 93 6.683 -5.641 8.068 1.00 24.32 C ATOM 1354 O ARG A 93 5.536 -5.819 8.484 1.00 42.13 O ATOM 1355 CB ARG A 93 7.754 -3.939 9.511 1.00 33.03 C ATOM 1356 CG ARG A 93 8.276 -2.520 9.670 1.00 60.32 C ATOM 1357 CD ARG A 93 9.519 -2.264 8.832 1.00 64.34 C ATOM 1358 NE ARG A 93 10.671 -3.068 9.258 1.00 72.31 N ATOM 1359 CZ ARG A 93 11.871 -2.561 9.606 1.00 20.34 C ATOM 1360 NH1 ARG A 93 12.075 -1.253 9.574 1.00 3.44 N ATOM 1361 NH2 ARG A 93 12.869 -3.373 9.944 1.00 61.02 N ATOM 0 H ARG A 93 5.554 -3.212 8.273 1.00 62.10 H new ATOM 0 HA ARG A 93 8.183 -4.251 7.449 1.00 40.52 H new ATOM 0 HB2 ARG A 93 6.916 -4.084 10.192 1.00 33.03 H new ATOM 0 HB3 ARG A 93 8.535 -4.637 9.813 1.00 33.03 H new ATOM 0 HG2 ARG A 93 7.496 -1.814 9.384 1.00 60.32 H new ATOM 0 HG3 ARG A 93 8.504 -2.335 10.720 1.00 60.32 H new ATOM 0 HD2 ARG A 93 9.297 -2.481 7.787 1.00 64.34 H new ATOM 0 HD3 ARG A 93 9.779 -1.207 8.890 1.00 64.34 H new ATOM 0 HE ARG A 93 10.556 -4.081 9.293 1.00 72.31 H new ATOM 0 HH11 ARG A 93 11.323 -0.627 9.286 1.00 3.44 H new ATOM 0 HH12 ARG A 93 12.984 -0.872 9.838 1.00 3.44 H new ATOM 0 HH21 ARG A 93 12.728 -4.383 9.941 1.00 61.02 H new ATOM 0 HH22 ARG A 93 13.775 -2.985 10.207 1.00 61.02 H new ATOM 1375 N ILE A 94 7.388 -6.566 7.558 1.00 24.02 N ATOM 1376 CA ILE A 94 6.925 -7.897 7.513 1.00 65.53 C ATOM 1377 C ILE A 94 7.663 -8.618 8.598 1.00 61.11 C ATOM 1378 O ILE A 94 8.893 -8.737 8.571 1.00 34.31 O ATOM 1379 CB ILE A 94 7.127 -8.582 6.111 1.00 25.31 C ATOM 1380 CG1 ILE A 94 6.219 -7.962 5.021 1.00 21.41 C ATOM 1381 CG2 ILE A 94 6.874 -10.079 6.183 1.00 64.14 C ATOM 1382 CD1 ILE A 94 6.491 -6.507 4.663 1.00 64.44 C ATOM 0 H ILE A 94 8.314 -6.424 7.154 1.00 24.02 H new ATOM 0 HA ILE A 94 5.846 -7.928 7.666 1.00 65.53 H new ATOM 0 HB ILE A 94 8.167 -8.406 5.835 1.00 25.31 H new ATOM 0 HG12 ILE A 94 6.314 -8.561 4.115 1.00 21.41 H new ATOM 0 HG13 ILE A 94 5.183 -8.045 5.351 1.00 21.41 H new ATOM 0 HG21 ILE A 94 7.022 -10.521 5.198 1.00 64.14 H new ATOM 0 HG22 ILE A 94 7.568 -10.532 6.892 1.00 64.14 H new ATOM 0 HG23 ILE A 94 5.850 -10.260 6.511 1.00 64.14 H new ATOM 0 HD11 ILE A 94 5.793 -6.186 3.890 1.00 64.44 H new ATOM 0 HD12 ILE A 94 6.363 -5.884 5.549 1.00 64.44 H new ATOM 0 HD13 ILE A 94 7.512 -6.408 4.294 1.00 64.44 H new ATOM 1394 N ASN A 95 6.922 -9.019 9.566 1.00 61.41 N ATOM 1395 CA ASN A 95 7.433 -9.597 10.758 1.00 21.12 C ATOM 1396 C ASN A 95 6.687 -10.879 11.016 1.00 41.33 C ATOM 1397 O ASN A 95 5.457 -10.875 11.085 1.00 65.31 O ATOM 1398 CB ASN A 95 7.217 -8.593 11.900 1.00 24.42 C ATOM 1399 CG ASN A 95 7.717 -9.063 13.241 1.00 25.23 C ATOM 1400 OD1 ASN A 95 8.671 -9.829 13.330 1.00 22.40 O ATOM 1401 ND2 ASN A 95 7.109 -8.580 14.286 1.00 64.24 N ATOM 0 H ASN A 95 5.904 -8.952 9.551 1.00 61.41 H new ATOM 0 HA ASN A 95 8.497 -9.820 10.677 1.00 21.12 H new ATOM 0 HB2 ASN A 95 7.717 -7.658 11.646 1.00 24.42 H new ATOM 0 HB3 ASN A 95 6.152 -8.374 11.979 1.00 24.42 H new ATOM 0 HD21 ASN A 95 7.423 -8.836 15.222 1.00 64.24 H new ATOM 0 HD22 ASN A 95 6.319 -7.945 14.169 1.00 64.24 H new ATOM 1408 N GLU A 96 7.430 -11.974 11.108 1.00 64.12 N ATOM 1409 CA GLU A 96 6.880 -13.328 11.311 1.00 53.40 C ATOM 1410 C GLU A 96 5.863 -13.681 10.197 1.00 41.15 C ATOM 1411 O GLU A 96 4.883 -14.384 10.431 1.00 60.13 O ATOM 1412 CB GLU A 96 6.193 -13.421 12.693 1.00 71.35 C ATOM 1413 CG GLU A 96 7.100 -13.140 13.894 1.00 64.10 C ATOM 1414 CD GLU A 96 8.254 -14.106 14.013 1.00 22.22 C ATOM 1415 OE1 GLU A 96 8.053 -15.238 14.476 1.00 43.13 O ATOM 1416 OE2 GLU A 96 9.395 -13.746 13.642 1.00 14.02 O ATOM 0 H GLU A 96 8.448 -11.957 11.044 1.00 64.12 H new ATOM 0 HA GLU A 96 7.704 -14.040 11.269 1.00 53.40 H new ATOM 0 HB2 GLU A 96 5.361 -12.718 12.715 1.00 71.35 H new ATOM 0 HB3 GLU A 96 5.770 -14.419 12.804 1.00 71.35 H new ATOM 0 HG2 GLU A 96 7.492 -12.126 13.815 1.00 64.10 H new ATOM 0 HG3 GLU A 96 6.505 -13.182 14.807 1.00 64.10 H new ATOM 1423 N GLY A 97 6.149 -13.235 8.978 1.00 24.41 N ATOM 1424 CA GLY A 97 5.284 -13.512 7.833 1.00 0.22 C ATOM 1425 C GLY A 97 4.027 -12.642 7.782 1.00 4.14 C ATOM 1426 O GLY A 97 3.187 -12.802 6.890 1.00 71.43 O ATOM 0 H GLY A 97 6.975 -12.679 8.756 1.00 24.41 H new ATOM 0 HA2 GLY A 97 5.854 -13.365 6.915 1.00 0.22 H new ATOM 0 HA3 GLY A 97 4.988 -14.561 7.859 1.00 0.22 H new ATOM 1430 N GLU A 98 3.891 -11.745 8.730 1.00 55.44 N ATOM 1431 CA GLU A 98 2.742 -10.872 8.825 1.00 33.54 C ATOM 1432 C GLU A 98 3.148 -9.442 8.572 1.00 25.45 C ATOM 1433 O GLU A 98 4.288 -9.064 8.815 1.00 12.53 O ATOM 1434 CB GLU A 98 2.083 -10.990 10.176 1.00 75.51 C ATOM 1435 CG GLU A 98 1.778 -12.412 10.565 1.00 71.31 C ATOM 1436 CD GLU A 98 0.999 -12.490 11.829 1.00 24.15 C ATOM 1437 OE1 GLU A 98 1.567 -12.223 12.895 1.00 61.13 O ATOM 1438 OE2 GLU A 98 -0.202 -12.820 11.783 1.00 65.31 O ATOM 0 H GLU A 98 4.582 -11.598 9.466 1.00 55.44 H new ATOM 0 HA GLU A 98 2.023 -11.178 8.065 1.00 33.54 H new ATOM 0 HB2 GLU A 98 2.733 -10.545 10.930 1.00 75.51 H new ATOM 0 HB3 GLU A 98 1.157 -10.414 10.173 1.00 75.51 H new ATOM 0 HG2 GLU A 98 1.218 -12.895 9.764 1.00 71.31 H new ATOM 0 HG3 GLU A 98 2.711 -12.964 10.680 1.00 71.31 H new ATOM 1445 N PHE A 99 2.231 -8.657 8.092 1.00 4.34 N ATOM 1446 CA PHE A 99 2.511 -7.288 7.735 1.00 4.04 C ATOM 1447 C PHE A 99 2.001 -6.348 8.803 1.00 55.44 C ATOM 1448 O PHE A 99 0.801 -6.293 9.087 1.00 45.12 O ATOM 1449 CB PHE A 99 1.809 -6.920 6.418 1.00 12.31 C ATOM 1450 CG PHE A 99 2.354 -7.559 5.173 1.00 32.03 C ATOM 1451 CD1 PHE A 99 2.240 -8.921 4.945 1.00 73.35 C ATOM 1452 CD2 PHE A 99 2.956 -6.778 4.212 1.00 4.12 C ATOM 1453 CE1 PHE A 99 2.722 -9.483 3.784 1.00 42.04 C ATOM 1454 CE2 PHE A 99 3.442 -7.333 3.054 1.00 11.42 C ATOM 1455 CZ PHE A 99 3.329 -8.685 2.838 1.00 12.15 C ATOM 0 H PHE A 99 1.265 -8.943 7.934 1.00 4.34 H new ATOM 0 HA PHE A 99 3.592 -7.192 7.629 1.00 4.04 H new ATOM 0 HB2 PHE A 99 0.756 -7.186 6.506 1.00 12.31 H new ATOM 0 HB3 PHE A 99 1.856 -5.838 6.296 1.00 12.31 H new ATOM 0 HD1 PHE A 99 1.768 -9.549 5.686 1.00 73.35 H new ATOM 0 HD2 PHE A 99 3.047 -5.714 4.371 1.00 4.12 H new ATOM 0 HE1 PHE A 99 2.625 -10.545 3.615 1.00 42.04 H new ATOM 0 HE2 PHE A 99 3.914 -6.706 2.312 1.00 11.42 H new ATOM 0 HZ PHE A 99 3.715 -9.122 1.929 1.00 12.15 H new ATOM 1465 N GLU A 100 2.905 -5.634 9.393 1.00 51.31 N ATOM 1466 CA GLU A 100 2.586 -4.620 10.351 1.00 51.32 C ATOM 1467 C GLU A 100 3.000 -3.279 9.773 1.00 21.25 C ATOM 1468 O GLU A 100 4.096 -3.138 9.225 1.00 72.01 O ATOM 1469 CB GLU A 100 3.243 -4.904 11.726 1.00 41.41 C ATOM 1470 CG GLU A 100 4.740 -5.191 11.673 1.00 44.32 C ATOM 1471 CD GLU A 100 5.355 -5.419 13.036 1.00 22.10 C ATOM 1472 OE1 GLU A 100 5.071 -6.456 13.678 1.00 31.05 O ATOM 1473 OE2 GLU A 100 6.139 -4.551 13.500 1.00 10.15 O ATOM 0 H GLU A 100 3.905 -5.740 9.221 1.00 51.31 H new ATOM 0 HA GLU A 100 1.513 -4.610 10.542 1.00 51.32 H new ATOM 0 HB2 GLU A 100 3.075 -4.046 12.377 1.00 41.41 H new ATOM 0 HB3 GLU A 100 2.740 -5.756 12.184 1.00 41.41 H new ATOM 0 HG2 GLU A 100 4.912 -6.071 11.053 1.00 44.32 H new ATOM 0 HG3 GLU A 100 5.246 -4.356 11.189 1.00 44.32 H new ATOM 1480 N VAL A 101 2.130 -2.322 9.836 1.00 22.41 N ATOM 1481 CA VAL A 101 2.404 -1.037 9.250 1.00 43.43 C ATOM 1482 C VAL A 101 2.751 -0.073 10.341 1.00 34.11 C ATOM 1483 O VAL A 101 1.989 0.099 11.286 1.00 31.02 O ATOM 1484 CB VAL A 101 1.189 -0.509 8.445 1.00 65.24 C ATOM 1485 CG1 VAL A 101 1.505 0.823 7.764 1.00 22.22 C ATOM 1486 CG2 VAL A 101 0.756 -1.539 7.423 1.00 0.14 C ATOM 0 H VAL A 101 1.219 -2.401 10.288 1.00 22.41 H new ATOM 0 HA VAL A 101 3.239 -1.140 8.556 1.00 43.43 H new ATOM 0 HB VAL A 101 0.370 -0.335 9.143 1.00 65.24 H new ATOM 0 HG11 VAL A 101 0.631 1.164 7.209 1.00 22.22 H new ATOM 0 HG12 VAL A 101 1.767 1.564 8.519 1.00 22.22 H new ATOM 0 HG13 VAL A 101 2.342 0.692 7.078 1.00 22.22 H new ATOM 0 HG21 VAL A 101 -0.098 -1.159 6.863 1.00 0.14 H new ATOM 0 HG22 VAL A 101 1.579 -1.740 6.738 1.00 0.14 H new ATOM 0 HG23 VAL A 101 0.475 -2.461 7.932 1.00 0.14 H new ATOM 1496 N VAL A 102 3.897 0.524 10.218 1.00 14.14 N ATOM 1497 CA VAL A 102 4.395 1.438 11.188 1.00 3.35 C ATOM 1498 C VAL A 102 4.580 2.811 10.539 1.00 75.11 C ATOM 1499 O VAL A 102 5.175 2.925 9.457 1.00 75.33 O ATOM 1500 CB VAL A 102 5.768 0.955 11.766 1.00 42.53 C ATOM 1501 CG1 VAL A 102 6.278 1.888 12.861 1.00 30.04 C ATOM 1502 CG2 VAL A 102 5.681 -0.481 12.284 1.00 62.21 C ATOM 0 H VAL A 102 4.521 0.384 9.423 1.00 14.14 H new ATOM 0 HA VAL A 102 3.677 1.497 12.006 1.00 3.35 H new ATOM 0 HB VAL A 102 6.484 0.978 10.945 1.00 42.53 H new ATOM 0 HG11 VAL A 102 7.232 1.520 13.237 1.00 30.04 H new ATOM 0 HG12 VAL A 102 6.411 2.890 12.453 1.00 30.04 H new ATOM 0 HG13 VAL A 102 5.555 1.922 13.676 1.00 30.04 H new ATOM 0 HG21 VAL A 102 6.651 -0.785 12.678 1.00 62.21 H new ATOM 0 HG22 VAL A 102 4.934 -0.538 13.075 1.00 62.21 H new ATOM 0 HG23 VAL A 102 5.397 -1.145 11.468 1.00 62.21 H new ATOM 1512 N ASP A 103 4.049 3.811 11.168 1.00 53.23 N ATOM 1513 CA ASP A 103 4.235 5.197 10.765 1.00 35.32 C ATOM 1514 C ASP A 103 5.630 5.588 11.202 1.00 34.14 C ATOM 1515 O ASP A 103 5.972 5.475 12.391 1.00 12.34 O ATOM 1516 CB ASP A 103 3.196 6.067 11.498 1.00 41.03 C ATOM 1517 CG ASP A 103 3.258 7.559 11.212 1.00 13.33 C ATOM 1518 OD1 ASP A 103 4.267 8.213 11.544 1.00 21.23 O ATOM 1519 OD2 ASP A 103 2.235 8.123 10.750 1.00 24.23 O ATOM 0 H ASP A 103 3.460 3.701 11.994 1.00 53.23 H new ATOM 0 HA ASP A 103 4.111 5.330 9.690 1.00 35.32 H new ATOM 0 HB2 ASP A 103 2.201 5.708 11.236 1.00 41.03 H new ATOM 0 HB3 ASP A 103 3.317 5.917 12.571 1.00 41.03 H new ATOM 1524 N VAL A 104 6.437 6.001 10.268 1.00 53.35 N ATOM 1525 CA VAL A 104 7.831 6.315 10.547 1.00 75.42 C ATOM 1526 C VAL A 104 8.118 7.770 10.276 1.00 45.41 C ATOM 1527 O VAL A 104 9.284 8.202 10.264 1.00 70.51 O ATOM 1528 CB VAL A 104 8.808 5.421 9.723 1.00 74.35 C ATOM 1529 CG1 VAL A 104 8.694 3.967 10.147 1.00 43.02 C ATOM 1530 CG2 VAL A 104 8.548 5.555 8.223 1.00 33.05 C ATOM 0 H VAL A 104 6.162 6.133 9.295 1.00 53.35 H new ATOM 0 HA VAL A 104 7.996 6.108 11.604 1.00 75.42 H new ATOM 0 HB VAL A 104 9.822 5.766 9.925 1.00 74.35 H new ATOM 0 HG11 VAL A 104 9.384 3.361 9.559 1.00 43.02 H new ATOM 0 HG12 VAL A 104 8.941 3.876 11.205 1.00 43.02 H new ATOM 0 HG13 VAL A 104 7.675 3.619 9.982 1.00 43.02 H new ATOM 0 HG21 VAL A 104 9.244 4.920 7.675 1.00 33.05 H new ATOM 0 HG22 VAL A 104 7.526 5.248 8.002 1.00 33.05 H new ATOM 0 HG23 VAL A 104 8.688 6.593 7.921 1.00 33.05 H new ATOM 1540 N GLY A 105 7.070 8.520 10.101 1.00 45.01 N ATOM 1541 CA GLY A 105 7.192 9.901 9.801 1.00 72.05 C ATOM 1542 C GLY A 105 5.873 10.470 9.406 1.00 3.54 C ATOM 1543 O GLY A 105 5.568 10.569 8.221 1.00 71.21 O ATOM 0 H GLY A 105 6.109 8.183 10.164 1.00 45.01 H new ATOM 0 HA2 GLY A 105 7.579 10.434 10.669 1.00 72.05 H new ATOM 0 HA3 GLY A 105 7.911 10.041 8.994 1.00 72.05 H new ATOM 1547 N SER A 106 5.082 10.831 10.396 1.00 11.21 N ATOM 1548 CA SER A 106 3.763 11.370 10.185 1.00 3.31 C ATOM 1549 C SER A 106 3.830 12.655 9.379 1.00 25.44 C ATOM 1550 O SER A 106 4.193 13.713 9.906 1.00 52.12 O ATOM 1551 CB SER A 106 3.092 11.650 11.523 1.00 5.11 C ATOM 1552 OG SER A 106 3.029 10.485 12.324 1.00 64.32 O ATOM 0 H SER A 106 5.344 10.756 11.379 1.00 11.21 H new ATOM 0 HA SER A 106 3.181 10.634 9.631 1.00 3.31 H new ATOM 0 HB2 SER A 106 3.643 12.428 12.052 1.00 5.11 H new ATOM 0 HB3 SER A 106 2.085 12.032 11.354 1.00 5.11 H new ATOM 0 HG SER A 106 3.654 9.815 11.977 1.00 64.32 H new ATOM 1558 N LEU A 107 3.550 12.555 8.095 1.00 64.11 N ATOM 1559 CA LEU A 107 3.549 13.724 7.269 1.00 24.32 C ATOM 1560 C LEU A 107 2.314 14.523 7.595 1.00 74.02 C ATOM 1561 O LEU A 107 2.386 15.682 7.904 1.00 43.32 O ATOM 1562 CB LEU A 107 3.497 13.292 5.817 1.00 2.01 C ATOM 1563 CG LEU A 107 3.585 14.398 4.796 1.00 54.43 C ATOM 1564 CD1 LEU A 107 4.979 14.994 4.774 1.00 52.42 C ATOM 1565 CD2 LEU A 107 3.180 13.883 3.446 1.00 74.01 C ATOM 0 H LEU A 107 3.324 11.684 7.615 1.00 64.11 H new ATOM 0 HA LEU A 107 4.443 14.323 7.441 1.00 24.32 H new ATOM 0 HB2 LEU A 107 4.313 12.592 5.637 1.00 2.01 H new ATOM 0 HB3 LEU A 107 2.568 12.746 5.654 1.00 2.01 H new ATOM 0 HG LEU A 107 2.895 15.196 5.072 1.00 54.43 H new ATOM 0 HD11 LEU A 107 5.023 15.790 4.031 1.00 52.42 H new ATOM 0 HD12 LEU A 107 5.216 15.401 5.757 1.00 52.42 H new ATOM 0 HD13 LEU A 107 5.702 14.219 4.518 1.00 52.42 H new ATOM 0 HD21 LEU A 107 3.246 14.688 2.714 1.00 74.01 H new ATOM 0 HD22 LEU A 107 3.844 13.070 3.152 1.00 74.01 H new ATOM 0 HD23 LEU A 107 2.155 13.516 3.489 1.00 74.01 H new ATOM 1577 N ASN A 108 1.185 13.868 7.550 1.00 55.13 N ATOM 1578 CA ASN A 108 -0.047 14.453 8.045 1.00 21.34 C ATOM 1579 C ASN A 108 -0.605 13.556 9.139 1.00 41.13 C ATOM 1580 O ASN A 108 -1.368 13.979 10.004 1.00 54.14 O ATOM 1581 CB ASN A 108 -1.065 14.644 6.907 1.00 42.35 C ATOM 1582 CG ASN A 108 -2.332 15.364 7.354 1.00 3.54 C ATOM 1583 OD1 ASN A 108 -2.314 16.171 8.284 1.00 44.44 O ATOM 1584 ND2 ASN A 108 -3.424 15.096 6.689 1.00 51.12 N ATOM 0 H ASN A 108 1.086 12.925 7.175 1.00 55.13 H new ATOM 0 HA ASN A 108 0.157 15.442 8.456 1.00 21.34 H new ATOM 0 HB2 ASN A 108 -0.598 15.209 6.101 1.00 42.35 H new ATOM 0 HB3 ASN A 108 -1.333 13.669 6.499 1.00 42.35 H new ATOM 0 HD21 ASN A 108 -4.298 15.561 6.935 1.00 51.12 H new ATOM 0 HD22 ASN A 108 -3.403 14.422 5.924 1.00 51.12 H new ATOM 1591 N GLY A 109 -0.139 12.325 9.135 1.00 44.54 N ATOM 1592 CA GLY A 109 -0.645 11.317 10.018 1.00 72.41 C ATOM 1593 C GLY A 109 -1.153 10.173 9.191 1.00 10.43 C ATOM 1594 O GLY A 109 -1.855 10.393 8.207 1.00 22.31 O ATOM 0 H GLY A 109 0.604 12.003 8.514 1.00 44.54 H new ATOM 0 HA2 GLY A 109 0.139 10.977 10.694 1.00 72.41 H new ATOM 0 HA3 GLY A 109 -1.446 11.722 10.637 1.00 72.41 H new ATOM 1598 N THR A 110 -0.752 8.982 9.518 1.00 13.43 N ATOM 1599 CA THR A 110 -1.157 7.827 8.766 1.00 34.42 C ATOM 1600 C THR A 110 -2.537 7.381 9.205 1.00 32.33 C ATOM 1601 O THR A 110 -2.814 7.263 10.408 1.00 44.00 O ATOM 1602 CB THR A 110 -0.136 6.691 8.961 1.00 61.33 C ATOM 1603 OG1 THR A 110 1.151 7.187 8.597 1.00 73.23 O ATOM 1604 CG2 THR A 110 -0.467 5.484 8.089 1.00 34.25 C ATOM 0 H THR A 110 -0.139 8.781 10.308 1.00 13.43 H new ATOM 0 HA THR A 110 -1.196 8.084 7.707 1.00 34.42 H new ATOM 0 HB THR A 110 -0.160 6.370 10.002 1.00 61.33 H new ATOM 0 HG1 THR A 110 1.048 7.962 8.007 1.00 73.23 H new ATOM 0 HG21 THR A 110 0.275 4.702 8.253 1.00 34.25 H new ATOM 0 HG22 THR A 110 -1.456 5.107 8.350 1.00 34.25 H new ATOM 0 HG23 THR A 110 -0.457 5.779 7.040 1.00 34.25 H new ATOM 1612 N TYR A 111 -3.405 7.178 8.254 1.00 51.22 N ATOM 1613 CA TYR A 111 -4.718 6.714 8.548 1.00 62.01 C ATOM 1614 C TYR A 111 -4.829 5.274 8.168 1.00 34.43 C ATOM 1615 O TYR A 111 -4.539 4.898 7.040 1.00 31.43 O ATOM 1616 CB TYR A 111 -5.779 7.516 7.796 1.00 42.22 C ATOM 1617 CG TYR A 111 -5.855 8.973 8.173 1.00 44.45 C ATOM 1618 CD1 TYR A 111 -6.650 9.389 9.227 1.00 2.35 C ATOM 1619 CD2 TYR A 111 -5.139 9.935 7.472 1.00 14.44 C ATOM 1620 CE1 TYR A 111 -6.731 10.718 9.575 1.00 70.30 C ATOM 1621 CE2 TYR A 111 -5.213 11.268 7.817 1.00 64.21 C ATOM 1622 CZ TYR A 111 -6.012 11.652 8.871 1.00 31.45 C ATOM 1623 OH TYR A 111 -6.090 12.973 9.222 1.00 64.01 O ATOM 0 H TYR A 111 -3.218 7.330 7.263 1.00 51.22 H new ATOM 0 HA TYR A 111 -4.890 6.841 9.617 1.00 62.01 H new ATOM 0 HB2 TYR A 111 -5.580 7.442 6.727 1.00 42.22 H new ATOM 0 HB3 TYR A 111 -6.753 7.058 7.972 1.00 42.22 H new ATOM 0 HD1 TYR A 111 -7.216 8.658 9.786 1.00 2.35 H new ATOM 0 HD2 TYR A 111 -4.515 9.634 6.644 1.00 14.44 H new ATOM 0 HE1 TYR A 111 -7.358 11.025 10.399 1.00 70.30 H new ATOM 0 HE2 TYR A 111 -4.649 12.005 7.265 1.00 64.21 H new ATOM 0 HH TYR A 111 -5.521 13.504 8.626 1.00 64.01 H new ATOM 1633 N VAL A 112 -5.241 4.491 9.092 1.00 72.52 N ATOM 1634 CA VAL A 112 -5.482 3.094 8.896 1.00 25.55 C ATOM 1635 C VAL A 112 -6.914 2.874 9.276 1.00 73.41 C ATOM 1636 O VAL A 112 -7.306 3.243 10.387 1.00 73.42 O ATOM 1637 CB VAL A 112 -4.565 2.219 9.796 1.00 30.51 C ATOM 1638 CG1 VAL A 112 -4.944 0.752 9.689 1.00 4.42 C ATOM 1639 CG2 VAL A 112 -3.097 2.413 9.428 1.00 23.43 C ATOM 0 H VAL A 112 -5.430 4.807 10.043 1.00 72.52 H new ATOM 0 HA VAL A 112 -5.272 2.811 7.865 1.00 25.55 H new ATOM 0 HB VAL A 112 -4.707 2.539 10.828 1.00 30.51 H new ATOM 0 HG11 VAL A 112 -4.289 0.159 10.327 1.00 4.42 H new ATOM 0 HG12 VAL A 112 -5.978 0.619 10.007 1.00 4.42 H new ATOM 0 HG13 VAL A 112 -4.838 0.423 8.655 1.00 4.42 H new ATOM 0 HG21 VAL A 112 -2.475 1.790 10.071 1.00 23.43 H new ATOM 0 HG22 VAL A 112 -2.942 2.128 8.387 1.00 23.43 H new ATOM 0 HG23 VAL A 112 -2.824 3.460 9.562 1.00 23.43 H new ATOM 1649 N ASN A 113 -7.706 2.340 8.350 1.00 61.42 N ATOM 1650 CA ASN A 113 -9.151 2.149 8.555 1.00 34.33 C ATOM 1651 C ASN A 113 -9.775 3.523 8.900 1.00 23.43 C ATOM 1652 O ASN A 113 -10.677 3.647 9.707 1.00 31.15 O ATOM 1653 CB ASN A 113 -9.393 1.107 9.681 1.00 23.05 C ATOM 1654 CG ASN A 113 -10.824 0.589 9.753 1.00 13.42 C ATOM 1655 OD1 ASN A 113 -11.678 1.140 10.449 1.00 2.43 O ATOM 1656 ND2 ASN A 113 -11.082 -0.498 9.082 1.00 51.12 N ATOM 0 H ASN A 113 -7.373 2.027 7.438 1.00 61.42 H new ATOM 0 HA ASN A 113 -9.623 1.762 7.652 1.00 34.33 H new ATOM 0 HB2 ASN A 113 -8.720 0.263 9.531 1.00 23.05 H new ATOM 0 HB3 ASN A 113 -9.132 1.556 10.639 1.00 23.05 H new ATOM 0 HD21 ASN A 113 -12.012 -0.915 9.125 1.00 51.12 H new ATOM 0 HD22 ASN A 113 -10.354 -0.932 8.514 1.00 51.12 H new ATOM 1663 N ARG A 114 -9.271 4.553 8.191 1.00 31.04 N ATOM 1664 CA ARG A 114 -9.648 5.981 8.329 1.00 23.32 C ATOM 1665 C ARG A 114 -9.332 6.564 9.710 1.00 73.41 C ATOM 1666 O ARG A 114 -9.682 7.710 10.002 1.00 13.44 O ATOM 1667 CB ARG A 114 -11.124 6.251 7.986 1.00 44.25 C ATOM 1668 CG ARG A 114 -11.572 5.823 6.594 1.00 63.41 C ATOM 1669 CD ARG A 114 -11.876 4.333 6.511 1.00 54.23 C ATOM 1670 NE ARG A 114 -12.902 3.934 7.491 1.00 33.41 N ATOM 1671 CZ ARG A 114 -13.582 2.787 7.473 1.00 13.11 C ATOM 1672 NH1 ARG A 114 -13.374 1.897 6.515 1.00 3.01 N ATOM 1673 NH2 ARG A 114 -14.463 2.526 8.431 1.00 21.33 N ATOM 0 H ARG A 114 -8.559 4.410 7.475 1.00 31.04 H new ATOM 0 HA ARG A 114 -9.023 6.491 7.595 1.00 23.32 H new ATOM 0 HB2 ARG A 114 -11.747 5.740 8.720 1.00 44.25 H new ATOM 0 HB3 ARG A 114 -11.313 7.319 8.095 1.00 44.25 H new ATOM 0 HG2 ARG A 114 -12.461 6.388 6.312 1.00 63.41 H new ATOM 0 HG3 ARG A 114 -10.794 6.072 5.873 1.00 63.41 H new ATOM 0 HD2 ARG A 114 -12.217 4.086 5.506 1.00 54.23 H new ATOM 0 HD3 ARG A 114 -10.963 3.764 6.687 1.00 54.23 H new ATOM 0 HE ARG A 114 -13.109 4.589 8.245 1.00 33.41 H new ATOM 0 HH11 ARG A 114 -12.689 2.086 5.783 1.00 3.01 H new ATOM 0 HH12 ARG A 114 -13.899 1.022 6.509 1.00 3.01 H new ATOM 0 HH21 ARG A 114 -14.619 3.202 9.179 1.00 21.33 H new ATOM 0 HH22 ARG A 114 -14.984 1.649 8.419 1.00 21.33 H new ATOM 1687 N GLU A 115 -8.631 5.824 10.520 1.00 3.12 N ATOM 1688 CA GLU A 115 -8.308 6.269 11.839 1.00 15.11 C ATOM 1689 C GLU A 115 -6.822 6.583 11.904 1.00 45.50 C ATOM 1690 O GLU A 115 -6.013 5.817 11.376 1.00 45.44 O ATOM 1691 CB GLU A 115 -8.641 5.174 12.856 1.00 34.21 C ATOM 1692 CG GLU A 115 -10.090 4.700 12.847 1.00 22.43 C ATOM 1693 CD GLU A 115 -11.078 5.804 13.126 1.00 75.54 C ATOM 1694 OE1 GLU A 115 -11.139 6.285 14.294 1.00 60.42 O ATOM 1695 OE2 GLU A 115 -11.825 6.195 12.209 1.00 63.12 O ATOM 0 H GLU A 115 -8.270 4.900 10.284 1.00 3.12 H new ATOM 0 HA GLU A 115 -8.889 7.161 12.074 1.00 15.11 H new ATOM 0 HB2 GLU A 115 -7.994 4.317 12.669 1.00 34.21 H new ATOM 0 HB3 GLU A 115 -8.402 5.542 13.854 1.00 34.21 H new ATOM 0 HG2 GLU A 115 -10.315 4.257 11.877 1.00 22.43 H new ATOM 0 HG3 GLU A 115 -10.213 3.914 13.592 1.00 22.43 H new ATOM 1702 N PRO A 116 -6.433 7.722 12.497 1.00 21.21 N ATOM 1703 CA PRO A 116 -5.019 8.055 12.685 1.00 12.13 C ATOM 1704 C PRO A 116 -4.345 6.981 13.536 1.00 11.35 C ATOM 1705 O PRO A 116 -4.774 6.699 14.665 1.00 63.31 O ATOM 1706 CB PRO A 116 -5.052 9.383 13.454 1.00 0.33 C ATOM 1707 CG PRO A 116 -6.409 9.950 13.212 1.00 74.40 C ATOM 1708 CD PRO A 116 -7.331 8.785 12.977 1.00 4.42 C ATOM 0 HA PRO A 116 -4.469 8.121 11.747 1.00 12.13 H new ATOM 0 HB2 PRO A 116 -4.877 9.225 14.518 1.00 0.33 H new ATOM 0 HB3 PRO A 116 -4.275 10.061 13.100 1.00 0.33 H new ATOM 0 HG2 PRO A 116 -6.740 10.539 14.067 1.00 74.40 H new ATOM 0 HG3 PRO A 116 -6.401 10.617 12.350 1.00 74.40 H new ATOM 0 HD2 PRO A 116 -7.847 8.491 13.891 1.00 4.42 H new ATOM 0 HD3 PRO A 116 -8.099 9.024 12.241 1.00 4.42 H new ATOM 1716 N ARG A 117 -3.316 6.388 13.012 1.00 63.02 N ATOM 1717 CA ARG A 117 -2.663 5.284 13.665 1.00 62.44 C ATOM 1718 C ARG A 117 -1.174 5.354 13.381 1.00 54.23 C ATOM 1719 O ARG A 117 -0.769 5.876 12.338 1.00 23.10 O ATOM 1720 CB ARG A 117 -3.245 3.980 13.087 1.00 61.14 C ATOM 1721 CG ARG A 117 -2.815 2.689 13.775 1.00 43.13 C ATOM 1722 CD ARG A 117 -3.361 2.587 15.197 1.00 25.41 C ATOM 1723 NE ARG A 117 -4.832 2.692 15.234 1.00 42.21 N ATOM 1724 CZ ARG A 117 -5.689 1.709 15.556 1.00 35.23 C ATOM 1725 NH1 ARG A 117 -5.242 0.487 15.858 1.00 3.50 N ATOM 1726 NH2 ARG A 117 -6.987 1.962 15.596 1.00 22.42 N ATOM 0 H ARG A 117 -2.901 6.653 12.119 1.00 63.02 H new ATOM 0 HA ARG A 117 -2.822 5.319 14.743 1.00 62.44 H new ATOM 0 HB2 ARG A 117 -4.332 4.043 13.126 1.00 61.14 H new ATOM 0 HB3 ARG A 117 -2.967 3.917 12.035 1.00 61.14 H new ATOM 0 HG2 ARG A 117 -3.161 1.835 13.192 1.00 43.13 H new ATOM 0 HG3 ARG A 117 -1.727 2.637 13.800 1.00 43.13 H new ATOM 0 HD2 ARG A 117 -3.054 1.637 15.636 1.00 25.41 H new ATOM 0 HD3 ARG A 117 -2.926 3.376 15.810 1.00 25.41 H new ATOM 0 HE ARG A 117 -5.237 3.597 14.992 1.00 42.21 H new ATOM 0 HH11 ARG A 117 -4.241 0.293 15.846 1.00 3.50 H new ATOM 0 HH12 ARG A 117 -5.902 -0.252 16.101 1.00 3.50 H new ATOM 0 HH21 ARG A 117 -7.331 2.898 15.383 1.00 22.42 H new ATOM 0 HH22 ARG A 117 -7.644 1.221 15.840 1.00 22.42 H new ATOM 1740 N ASN A 118 -0.370 4.896 14.309 1.00 54.03 N ATOM 1741 CA ASN A 118 1.057 4.820 14.092 1.00 73.34 C ATOM 1742 C ASN A 118 1.413 3.430 13.614 1.00 33.20 C ATOM 1743 O ASN A 118 1.730 3.240 12.459 1.00 42.45 O ATOM 1744 CB ASN A 118 1.860 5.173 15.352 1.00 23.10 C ATOM 1745 CG ASN A 118 3.371 5.093 15.138 1.00 31.34 C ATOM 1746 OD1 ASN A 118 3.985 4.043 15.325 1.00 23.33 O ATOM 1747 ND2 ASN A 118 3.978 6.193 14.789 1.00 2.43 N ATOM 0 H ASN A 118 -0.679 4.569 15.225 1.00 54.03 H new ATOM 0 HA ASN A 118 1.322 5.557 13.334 1.00 73.34 H new ATOM 0 HB2 ASN A 118 1.597 6.181 15.674 1.00 23.10 H new ATOM 0 HB3 ASN A 118 1.576 4.497 16.158 1.00 23.10 H new ATOM 0 HD21 ASN A 118 4.990 6.199 14.663 1.00 2.43 H new ATOM 0 HD22 ASN A 118 3.441 7.047 14.641 1.00 2.43 H new ATOM 1754 N ALA A 119 1.315 2.450 14.481 1.00 31.10 N ATOM 1755 CA ALA A 119 1.650 1.111 14.083 1.00 24.12 C ATOM 1756 C ALA A 119 0.495 0.198 14.350 1.00 32.45 C ATOM 1757 O ALA A 119 -0.136 0.281 15.411 1.00 5.23 O ATOM 1758 CB ALA A 119 2.889 0.629 14.816 1.00 2.23 C ATOM 0 H ALA A 119 1.011 2.554 15.449 1.00 31.10 H new ATOM 0 HA ALA A 119 1.865 1.106 13.014 1.00 24.12 H new ATOM 0 HB1 ALA A 119 3.126 -0.387 14.501 1.00 2.23 H new ATOM 0 HB2 ALA A 119 3.727 1.286 14.584 1.00 2.23 H new ATOM 0 HB3 ALA A 119 2.704 0.642 15.890 1.00 2.23 H new ATOM 1764 N GLN A 120 0.187 -0.629 13.395 1.00 74.24 N ATOM 1765 CA GLN A 120 -0.877 -1.594 13.538 1.00 30.35 C ATOM 1766 C GLN A 120 -0.655 -2.792 12.608 1.00 73.40 C ATOM 1767 O GLN A 120 -0.082 -2.625 11.520 1.00 40.13 O ATOM 1768 CB GLN A 120 -2.265 -1.004 13.323 1.00 54.11 C ATOM 1769 CG GLN A 120 -3.301 -1.889 13.966 1.00 42.32 C ATOM 1770 CD GLN A 120 -4.544 -2.053 13.189 1.00 11.32 C ATOM 1771 OE1 GLN A 120 -5.011 -1.150 12.500 1.00 41.21 O ATOM 1772 NE2 GLN A 120 -5.045 -3.242 13.244 1.00 63.11 N ATOM 0 H GLN A 120 0.663 -0.658 12.493 1.00 74.24 H new ATOM 0 HA GLN A 120 -0.841 -1.930 14.574 1.00 30.35 H new ATOM 0 HB2 GLN A 120 -2.314 -0.002 13.749 1.00 54.11 H new ATOM 0 HB3 GLN A 120 -2.468 -0.907 12.256 1.00 54.11 H new ATOM 0 HG2 GLN A 120 -2.863 -2.873 14.136 1.00 42.32 H new ATOM 0 HG3 GLN A 120 -3.552 -1.479 14.944 1.00 42.32 H new ATOM 0 HE21 GLN A 120 -4.612 -3.951 13.836 1.00 63.11 H new ATOM 0 HE22 GLN A 120 -5.874 -3.472 12.696 1.00 63.11 H new ATOM 1781 N VAL A 121 -1.068 -3.985 13.027 1.00 35.33 N ATOM 1782 CA VAL A 121 -0.918 -5.166 12.191 1.00 74.55 C ATOM 1783 C VAL A 121 -2.016 -5.099 11.138 1.00 41.23 C ATOM 1784 O VAL A 121 -3.172 -4.843 11.469 1.00 20.52 O ATOM 1785 CB VAL A 121 -1.011 -6.488 13.011 1.00 63.13 C ATOM 1786 CG1 VAL A 121 -0.847 -7.705 12.103 1.00 71.12 C ATOM 1787 CG2 VAL A 121 0.054 -6.511 14.103 1.00 34.20 C ATOM 0 H VAL A 121 -1.505 -4.156 13.933 1.00 35.33 H new ATOM 0 HA VAL A 121 0.071 -5.174 11.733 1.00 74.55 H new ATOM 0 HB VAL A 121 -1.998 -6.529 13.473 1.00 63.13 H new ATOM 0 HG11 VAL A 121 -0.916 -8.615 12.699 1.00 71.12 H new ATOM 0 HG12 VAL A 121 -1.634 -7.705 11.349 1.00 71.12 H new ATOM 0 HG13 VAL A 121 0.126 -7.665 11.613 1.00 71.12 H new ATOM 0 HG21 VAL A 121 -0.023 -7.440 14.667 1.00 34.20 H new ATOM 0 HG22 VAL A 121 1.042 -6.444 13.649 1.00 34.20 H new ATOM 0 HG23 VAL A 121 -0.095 -5.665 14.774 1.00 34.20 H new ATOM 1797 N MET A 122 -1.665 -5.306 9.902 1.00 43.12 N ATOM 1798 CA MET A 122 -2.580 -5.049 8.823 1.00 31.01 C ATOM 1799 C MET A 122 -3.426 -6.259 8.462 1.00 73.15 C ATOM 1800 O MET A 122 -2.998 -7.412 8.609 1.00 55.04 O ATOM 1801 CB MET A 122 -1.818 -4.509 7.609 1.00 64.43 C ATOM 1802 CG MET A 122 -2.711 -3.955 6.512 1.00 70.45 C ATOM 1803 SD MET A 122 -3.911 -2.765 7.145 1.00 43.12 S ATOM 1804 CE MET A 122 -2.843 -1.594 7.981 1.00 12.51 C ATOM 0 H MET A 122 -0.750 -5.653 9.614 1.00 43.12 H new ATOM 0 HA MET A 122 -3.284 -4.290 9.164 1.00 31.01 H new ATOM 0 HB2 MET A 122 -1.138 -3.724 7.940 1.00 64.43 H new ATOM 0 HB3 MET A 122 -1.204 -5.308 7.194 1.00 64.43 H new ATOM 0 HG2 MET A 122 -2.094 -3.477 5.751 1.00 70.45 H new ATOM 0 HG3 MET A 122 -3.238 -4.776 6.026 1.00 70.45 H new ATOM 0 HE1 MET A 122 -2.918 -1.738 9.059 1.00 12.51 H new ATOM 0 HE2 MET A 122 -1.812 -1.752 7.665 1.00 12.51 H new ATOM 0 HE3 MET A 122 -3.149 -0.579 7.729 1.00 12.51 H new ATOM 1814 N GLN A 123 -4.627 -5.976 8.009 1.00 5.25 N ATOM 1815 CA GLN A 123 -5.586 -6.964 7.601 1.00 35.14 C ATOM 1816 C GLN A 123 -5.903 -6.767 6.127 1.00 13.41 C ATOM 1817 O GLN A 123 -5.729 -5.670 5.590 1.00 62.51 O ATOM 1818 CB GLN A 123 -6.850 -6.853 8.446 1.00 21.31 C ATOM 1819 CG GLN A 123 -6.633 -7.197 9.911 1.00 62.20 C ATOM 1820 CD GLN A 123 -7.880 -7.032 10.745 1.00 11.12 C ATOM 1821 OE1 GLN A 123 -8.730 -6.184 10.469 1.00 3.42 O ATOM 1822 NE2 GLN A 123 -8.003 -7.826 11.768 1.00 1.31 N ATOM 0 H GLN A 123 -4.969 -5.020 7.914 1.00 5.25 H new ATOM 0 HA GLN A 123 -5.172 -7.961 7.748 1.00 35.14 H new ATOM 0 HB2 GLN A 123 -7.238 -5.837 8.373 1.00 21.31 H new ATOM 0 HB3 GLN A 123 -7.612 -7.515 8.035 1.00 21.31 H new ATOM 0 HG2 GLN A 123 -6.284 -8.227 9.989 1.00 62.20 H new ATOM 0 HG3 GLN A 123 -5.845 -6.561 10.315 1.00 62.20 H new ATOM 0 HE21 GLN A 123 -7.280 -8.517 11.967 1.00 1.31 H new ATOM 0 HE22 GLN A 123 -8.823 -7.758 12.371 1.00 1.31 H new ATOM 1831 N THR A 124 -6.354 -7.806 5.483 1.00 60.52 N ATOM 1832 CA THR A 124 -6.621 -7.763 4.075 1.00 2.45 C ATOM 1833 C THR A 124 -7.972 -7.087 3.784 1.00 53.20 C ATOM 1834 O THR A 124 -9.003 -7.405 4.388 1.00 21.13 O ATOM 1835 CB THR A 124 -6.505 -9.187 3.423 1.00 64.33 C ATOM 1836 OG1 THR A 124 -6.912 -9.186 2.039 1.00 41.02 O ATOM 1837 CG2 THR A 124 -7.275 -10.251 4.206 1.00 14.14 C ATOM 0 H THR A 124 -6.547 -8.707 5.921 1.00 60.52 H new ATOM 0 HA THR A 124 -5.854 -7.146 3.606 1.00 2.45 H new ATOM 0 HB THR A 124 -5.447 -9.447 3.463 1.00 64.33 H new ATOM 0 HG1 THR A 124 -6.976 -10.109 1.716 1.00 41.02 H new ATOM 0 HG21 THR A 124 -7.163 -11.217 3.714 1.00 14.14 H new ATOM 0 HG22 THR A 124 -6.881 -10.312 5.220 1.00 14.14 H new ATOM 0 HG23 THR A 124 -8.331 -9.983 4.243 1.00 14.14 H new ATOM 1845 N GLY A 125 -7.943 -6.134 2.890 1.00 35.55 N ATOM 1846 CA GLY A 125 -9.118 -5.407 2.515 1.00 41.22 C ATOM 1847 C GLY A 125 -9.205 -4.079 3.223 1.00 33.45 C ATOM 1848 O GLY A 125 -10.122 -3.304 2.983 1.00 54.03 O ATOM 0 H GLY A 125 -7.097 -5.842 2.401 1.00 35.55 H new ATOM 0 HA2 GLY A 125 -9.116 -5.245 1.437 1.00 41.22 H new ATOM 0 HA3 GLY A 125 -10.002 -6.001 2.747 1.00 41.22 H new ATOM 1852 N ASP A 126 -8.262 -3.813 4.092 1.00 51.33 N ATOM 1853 CA ASP A 126 -8.274 -2.575 4.848 1.00 22.21 C ATOM 1854 C ASP A 126 -7.526 -1.494 4.065 1.00 44.10 C ATOM 1855 O ASP A 126 -6.649 -1.811 3.230 1.00 1.21 O ATOM 1856 CB ASP A 126 -7.693 -2.760 6.248 1.00 52.34 C ATOM 1857 CG ASP A 126 -8.199 -1.706 7.214 1.00 70.23 C ATOM 1858 OD1 ASP A 126 -7.745 -0.567 7.171 1.00 54.10 O ATOM 1859 OD2 ASP A 126 -9.080 -2.032 8.061 1.00 25.02 O ATOM 0 H ASP A 126 -7.477 -4.431 4.297 1.00 51.33 H new ATOM 0 HA ASP A 126 -9.308 -2.259 4.985 1.00 22.21 H new ATOM 0 HB2 ASP A 126 -7.954 -3.750 6.622 1.00 52.34 H new ATOM 0 HB3 ASP A 126 -6.605 -2.715 6.198 1.00 52.34 H new ATOM 1864 N GLU A 127 -7.879 -0.249 4.295 1.00 52.22 N ATOM 1865 CA GLU A 127 -7.342 0.848 3.522 1.00 74.25 C ATOM 1866 C GLU A 127 -6.519 1.793 4.371 1.00 50.11 C ATOM 1867 O GLU A 127 -6.949 2.247 5.453 1.00 25.14 O ATOM 1868 CB GLU A 127 -8.448 1.605 2.803 1.00 63.43 C ATOM 1869 CG GLU A 127 -9.205 0.750 1.812 1.00 31.11 C ATOM 1870 CD GLU A 127 -10.335 1.481 1.158 1.00 34.13 C ATOM 1871 OE1 GLU A 127 -11.434 1.517 1.739 1.00 62.42 O ATOM 1872 OE2 GLU A 127 -10.176 2.003 0.039 1.00 62.52 O ATOM 0 H GLU A 127 -8.542 0.030 5.018 1.00 52.22 H new ATOM 0 HA GLU A 127 -6.677 0.413 2.776 1.00 74.25 H new ATOM 0 HB2 GLU A 127 -9.147 2.002 3.540 1.00 63.43 H new ATOM 0 HB3 GLU A 127 -8.016 2.459 2.281 1.00 63.43 H new ATOM 0 HG2 GLU A 127 -8.516 0.395 1.045 1.00 31.11 H new ATOM 0 HG3 GLU A 127 -9.595 -0.130 2.323 1.00 31.11 H new ATOM 1879 N ILE A 128 -5.365 2.106 3.863 1.00 30.23 N ATOM 1880 CA ILE A 128 -4.415 2.973 4.509 1.00 13.14 C ATOM 1881 C ILE A 128 -4.345 4.259 3.697 1.00 14.43 C ATOM 1882 O ILE A 128 -4.129 4.210 2.485 1.00 30.21 O ATOM 1883 CB ILE A 128 -3.011 2.314 4.501 1.00 51.13 C ATOM 1884 CG1 ILE A 128 -3.091 0.879 5.041 1.00 43.45 C ATOM 1885 CG2 ILE A 128 -2.025 3.142 5.327 1.00 4.44 C ATOM 1886 CD1 ILE A 128 -1.804 0.102 4.904 1.00 45.43 C ATOM 0 H ILE A 128 -5.045 1.756 2.960 1.00 30.23 H new ATOM 0 HA ILE A 128 -4.719 3.163 5.538 1.00 13.14 H new ATOM 0 HB ILE A 128 -2.652 2.278 3.472 1.00 51.13 H new ATOM 0 HG12 ILE A 128 -3.374 0.912 6.093 1.00 43.45 H new ATOM 0 HG13 ILE A 128 -3.883 0.347 4.515 1.00 43.45 H new ATOM 0 HG21 ILE A 128 -1.045 2.664 5.310 1.00 4.44 H new ATOM 0 HG22 ILE A 128 -1.948 4.144 4.904 1.00 4.44 H new ATOM 0 HG23 ILE A 128 -2.378 3.209 6.356 1.00 4.44 H new ATOM 0 HD11 ILE A 128 -1.940 -0.901 5.307 1.00 45.43 H new ATOM 0 HD12 ILE A 128 -1.529 0.036 3.851 1.00 45.43 H new ATOM 0 HD13 ILE A 128 -1.012 0.610 5.454 1.00 45.43 H new ATOM 1898 N GLN A 129 -4.536 5.384 4.328 1.00 40.05 N ATOM 1899 CA GLN A 129 -4.514 6.637 3.616 1.00 32.11 C ATOM 1900 C GLN A 129 -3.233 7.403 3.918 1.00 61.42 C ATOM 1901 O GLN A 129 -2.964 7.791 5.066 1.00 3.14 O ATOM 1902 CB GLN A 129 -5.818 7.438 3.842 1.00 25.31 C ATOM 1903 CG GLN A 129 -5.951 8.735 3.037 1.00 33.14 C ATOM 1904 CD GLN A 129 -7.414 9.091 2.755 1.00 24.53 C ATOM 1905 OE1 GLN A 129 -8.308 8.741 3.510 1.00 40.25 O ATOM 1906 NE2 GLN A 129 -7.663 9.796 1.672 1.00 34.44 N ATOM 0 H GLN A 129 -4.708 5.462 5.330 1.00 40.05 H new ATOM 0 HA GLN A 129 -4.492 6.443 2.544 1.00 32.11 H new ATOM 0 HB2 GLN A 129 -6.664 6.794 3.601 1.00 25.31 H new ATOM 0 HB3 GLN A 129 -5.894 7.681 4.902 1.00 25.31 H new ATOM 0 HG2 GLN A 129 -5.479 9.551 3.584 1.00 33.14 H new ATOM 0 HG3 GLN A 129 -5.415 8.632 2.093 1.00 33.14 H new ATOM 0 HE21 GLN A 129 -6.898 10.075 1.058 1.00 34.44 H new ATOM 0 HE22 GLN A 129 -8.621 10.063 1.446 1.00 34.44 H new ATOM 1915 N ILE A 130 -2.444 7.561 2.875 1.00 0.01 N ATOM 1916 CA ILE A 130 -1.134 8.182 2.911 1.00 60.13 C ATOM 1917 C ILE A 130 -1.221 9.506 2.181 1.00 13.11 C ATOM 1918 O ILE A 130 -1.796 9.569 1.079 1.00 5.11 O ATOM 1919 CB ILE A 130 -0.078 7.266 2.205 1.00 34.02 C ATOM 1920 CG1 ILE A 130 0.006 5.890 2.892 1.00 40.05 C ATOM 1921 CG2 ILE A 130 1.306 7.922 2.135 1.00 40.43 C ATOM 1922 CD1 ILE A 130 0.380 5.950 4.361 1.00 71.21 C ATOM 0 H ILE A 130 -2.708 7.248 1.941 1.00 0.01 H new ATOM 0 HA ILE A 130 -0.825 8.332 3.945 1.00 60.13 H new ATOM 0 HB ILE A 130 -0.419 7.122 1.180 1.00 34.02 H new ATOM 0 HG12 ILE A 130 -0.957 5.388 2.794 1.00 40.05 H new ATOM 0 HG13 ILE A 130 0.739 5.278 2.367 1.00 40.05 H new ATOM 0 HG21 ILE A 130 2.003 7.248 1.637 1.00 40.43 H new ATOM 0 HG22 ILE A 130 1.239 8.854 1.574 1.00 40.43 H new ATOM 0 HG23 ILE A 130 1.661 8.131 3.144 1.00 40.43 H new ATOM 0 HD11 ILE A 130 0.417 4.940 4.769 1.00 71.21 H new ATOM 0 HD12 ILE A 130 1.357 6.421 4.469 1.00 71.21 H new ATOM 0 HD13 ILE A 130 -0.365 6.532 4.903 1.00 71.21 H new ATOM 1934 N GLY A 131 -0.669 10.543 2.780 1.00 31.12 N ATOM 1935 CA GLY A 131 -0.752 11.872 2.213 1.00 40.04 C ATOM 1936 C GLY A 131 -2.182 12.354 2.211 1.00 31.22 C ATOM 1937 O GLY A 131 -2.670 12.883 3.208 1.00 65.50 O ATOM 0 H GLY A 131 -0.158 10.489 3.661 1.00 31.12 H new ATOM 0 HA2 GLY A 131 -0.131 12.559 2.788 1.00 40.04 H new ATOM 0 HA3 GLY A 131 -0.362 11.865 1.195 1.00 40.04 H new ATOM 1941 N LYS A 132 -2.860 12.133 1.111 1.00 61.50 N ATOM 1942 CA LYS A 132 -4.258 12.461 0.982 1.00 24.51 C ATOM 1943 C LYS A 132 -5.002 11.378 0.216 1.00 23.04 C ATOM 1944 O LYS A 132 -6.169 11.546 -0.108 1.00 2.31 O ATOM 1945 CB LYS A 132 -4.475 13.807 0.277 1.00 32.20 C ATOM 1946 CG LYS A 132 -3.816 13.922 -1.094 1.00 2.52 C ATOM 1947 CD LYS A 132 -4.472 15.007 -1.936 1.00 4.23 C ATOM 1948 CE LYS A 132 -5.818 14.532 -2.482 1.00 12.11 C ATOM 1949 NZ LYS A 132 -6.547 15.581 -3.221 1.00 51.24 N ATOM 0 H LYS A 132 -2.453 11.717 0.273 1.00 61.50 H new ATOM 0 HA LYS A 132 -4.652 12.534 1.996 1.00 24.51 H new ATOM 0 HB2 LYS A 132 -5.546 13.975 0.165 1.00 32.20 H new ATOM 0 HB3 LYS A 132 -4.093 14.603 0.917 1.00 32.20 H new ATOM 0 HG2 LYS A 132 -2.756 14.145 -0.972 1.00 2.52 H new ATOM 0 HG3 LYS A 132 -3.883 12.966 -1.613 1.00 2.52 H new ATOM 0 HD2 LYS A 132 -4.615 15.904 -1.334 1.00 4.23 H new ATOM 0 HD3 LYS A 132 -3.815 15.279 -2.762 1.00 4.23 H new ATOM 0 HE2 LYS A 132 -5.655 13.679 -3.140 1.00 12.11 H new ATOM 0 HE3 LYS A 132 -6.436 14.183 -1.655 1.00 12.11 H new ATOM 0 HZ1 LYS A 132 -6.913 15.188 -4.112 1.00 51.24 H new ATOM 0 HZ2 LYS A 132 -7.340 15.926 -2.643 1.00 51.24 H new ATOM 0 HZ3 LYS A 132 -5.903 16.370 -3.430 1.00 51.24 H new ATOM 1963 N PHE A 133 -4.361 10.265 -0.046 1.00 60.34 N ATOM 1964 CA PHE A 133 -4.963 9.235 -0.874 1.00 11.04 C ATOM 1965 C PHE A 133 -4.849 7.857 -0.234 1.00 53.23 C ATOM 1966 O PHE A 133 -3.936 7.615 0.536 1.00 53.34 O ATOM 1967 CB PHE A 133 -4.363 9.278 -2.283 1.00 52.32 C ATOM 1968 CG PHE A 133 -2.853 9.195 -2.368 1.00 11.31 C ATOM 1969 CD1 PHE A 133 -2.080 10.347 -2.319 1.00 40.33 C ATOM 1970 CD2 PHE A 133 -2.214 7.973 -2.520 1.00 1.20 C ATOM 1971 CE1 PHE A 133 -0.706 10.283 -2.413 1.00 54.35 C ATOM 1972 CE2 PHE A 133 -0.839 7.904 -2.618 1.00 53.22 C ATOM 1973 CZ PHE A 133 -0.084 9.060 -2.564 1.00 12.24 C ATOM 0 H PHE A 133 -3.426 10.045 0.298 1.00 60.34 H new ATOM 0 HA PHE A 133 -6.031 9.437 -0.959 1.00 11.04 H new ATOM 0 HB2 PHE A 133 -4.785 8.455 -2.861 1.00 52.32 H new ATOM 0 HB3 PHE A 133 -4.683 10.202 -2.764 1.00 52.32 H new ATOM 0 HD1 PHE A 133 -2.562 11.307 -2.206 1.00 40.33 H new ATOM 0 HD2 PHE A 133 -2.799 7.066 -2.562 1.00 1.20 H new ATOM 0 HE1 PHE A 133 -0.118 11.188 -2.369 1.00 54.35 H new ATOM 0 HE2 PHE A 133 -0.353 6.947 -2.737 1.00 53.22 H new ATOM 0 HZ PHE A 133 0.992 9.007 -2.640 1.00 12.24 H new ATOM 1983 N ARG A 134 -5.773 6.953 -0.538 1.00 44.11 N ATOM 1984 CA ARG A 134 -5.750 5.668 0.146 1.00 22.25 C ATOM 1985 C ARG A 134 -5.413 4.499 -0.748 1.00 32.34 C ATOM 1986 O ARG A 134 -5.758 4.460 -1.946 1.00 61.13 O ATOM 1987 CB ARG A 134 -7.004 5.370 1.023 1.00 30.14 C ATOM 1988 CG ARG A 134 -8.298 4.980 0.304 1.00 44.55 C ATOM 1989 CD ARG A 134 -8.915 6.118 -0.467 1.00 63.43 C ATOM 1990 NE ARG A 134 -10.203 5.730 -1.045 1.00 34.22 N ATOM 1991 CZ ARG A 134 -11.150 6.592 -1.432 1.00 51.24 C ATOM 1992 NH1 ARG A 134 -10.976 7.881 -1.247 1.00 74.44 N ATOM 1993 NH2 ARG A 134 -12.285 6.146 -1.947 1.00 15.13 N ATOM 0 H ARG A 134 -6.518 7.077 -1.224 1.00 44.11 H new ATOM 0 HA ARG A 134 -4.919 5.783 0.841 1.00 22.25 H new ATOM 0 HB2 ARG A 134 -6.748 4.566 1.712 1.00 30.14 H new ATOM 0 HB3 ARG A 134 -7.209 6.254 1.627 1.00 30.14 H new ATOM 0 HG2 ARG A 134 -8.092 4.156 -0.379 1.00 44.55 H new ATOM 0 HG3 ARG A 134 -9.017 4.614 1.037 1.00 44.55 H new ATOM 0 HD2 ARG A 134 -9.053 6.975 0.193 1.00 63.43 H new ATOM 0 HD3 ARG A 134 -8.237 6.432 -1.261 1.00 63.43 H new ATOM 0 HE ARG A 134 -10.391 4.734 -1.161 1.00 34.22 H new ATOM 0 HH11 ARG A 134 -10.120 8.222 -0.809 1.00 74.44 H new ATOM 0 HH12 ARG A 134 -11.697 8.540 -1.541 1.00 74.44 H new ATOM 0 HH21 ARG A 134 -12.439 5.143 -2.050 1.00 15.13 H new ATOM 0 HH22 ARG A 134 -13.005 6.805 -2.241 1.00 15.13 H new ATOM 2007 N LEU A 135 -4.734 3.569 -0.144 1.00 53.23 N ATOM 2008 CA LEU A 135 -4.284 2.350 -0.741 1.00 64.21 C ATOM 2009 C LEU A 135 -5.011 1.213 -0.055 1.00 40.21 C ATOM 2010 O LEU A 135 -5.221 1.262 1.157 1.00 53.23 O ATOM 2011 CB LEU A 135 -2.753 2.161 -0.574 1.00 73.33 C ATOM 2012 CG LEU A 135 -1.809 3.223 -1.199 1.00 74.23 C ATOM 2013 CD1 LEU A 135 -1.834 4.552 -0.448 1.00 23.14 C ATOM 2014 CD2 LEU A 135 -0.394 2.690 -1.276 1.00 22.35 C ATOM 0 H LEU A 135 -4.465 3.648 0.837 1.00 53.23 H new ATOM 0 HA LEU A 135 -4.494 2.372 -1.810 1.00 64.21 H new ATOM 0 HB2 LEU A 135 -2.538 2.112 0.494 1.00 73.33 H new ATOM 0 HB3 LEU A 135 -2.489 1.192 -0.997 1.00 73.33 H new ATOM 0 HG LEU A 135 -2.179 3.421 -2.205 1.00 74.23 H new ATOM 0 HD11 LEU A 135 -1.155 5.255 -0.930 1.00 23.14 H new ATOM 0 HD12 LEU A 135 -2.846 4.958 -0.460 1.00 23.14 H new ATOM 0 HD13 LEU A 135 -1.519 4.393 0.583 1.00 23.14 H new ATOM 0 HD21 LEU A 135 0.256 3.446 -1.716 1.00 22.35 H new ATOM 0 HD22 LEU A 135 -0.041 2.448 -0.273 1.00 22.35 H new ATOM 0 HD23 LEU A 135 -0.377 1.792 -1.894 1.00 22.35 H new ATOM 2026 N VAL A 136 -5.382 0.215 -0.802 1.00 75.41 N ATOM 2027 CA VAL A 136 -6.134 -0.904 -0.280 1.00 21.24 C ATOM 2028 C VAL A 136 -5.204 -2.090 -0.270 1.00 71.21 C ATOM 2029 O VAL A 136 -4.647 -2.463 -1.306 1.00 0.21 O ATOM 2030 CB VAL A 136 -7.329 -1.271 -1.201 1.00 2.11 C ATOM 2031 CG1 VAL A 136 -8.296 -2.229 -0.514 1.00 62.31 C ATOM 2032 CG2 VAL A 136 -8.039 -0.039 -1.730 1.00 10.30 C ATOM 0 H VAL A 136 -5.173 0.148 -1.798 1.00 75.41 H new ATOM 0 HA VAL A 136 -6.517 -0.644 0.707 1.00 21.24 H new ATOM 0 HB VAL A 136 -6.916 -1.793 -2.064 1.00 2.11 H new ATOM 0 HG11 VAL A 136 -9.119 -2.462 -1.190 1.00 62.31 H new ATOM 0 HG12 VAL A 136 -7.772 -3.147 -0.250 1.00 62.31 H new ATOM 0 HG13 VAL A 136 -8.690 -1.763 0.389 1.00 62.31 H new ATOM 0 HG21 VAL A 136 -8.868 -0.343 -2.369 1.00 10.30 H new ATOM 0 HG22 VAL A 136 -8.421 0.547 -0.895 1.00 10.30 H new ATOM 0 HG23 VAL A 136 -7.339 0.565 -2.307 1.00 10.30 H new ATOM 2042 N PHE A 137 -5.015 -2.643 0.881 1.00 52.23 N ATOM 2043 CA PHE A 137 -4.096 -3.733 1.085 1.00 40.13 C ATOM 2044 C PHE A 137 -4.824 -5.066 0.921 1.00 50.51 C ATOM 2045 O PHE A 137 -5.729 -5.364 1.675 1.00 54.24 O ATOM 2046 CB PHE A 137 -3.521 -3.595 2.502 1.00 55.13 C ATOM 2047 CG PHE A 137 -2.508 -4.623 2.911 1.00 73.10 C ATOM 2048 CD1 PHE A 137 -2.904 -5.805 3.522 1.00 70.22 C ATOM 2049 CD2 PHE A 137 -1.159 -4.394 2.715 1.00 63.34 C ATOM 2050 CE1 PHE A 137 -1.977 -6.731 3.928 1.00 75.20 C ATOM 2051 CE2 PHE A 137 -0.226 -5.320 3.116 1.00 71.32 C ATOM 2052 CZ PHE A 137 -0.638 -6.489 3.724 1.00 61.44 C ATOM 0 H PHE A 137 -5.501 -2.350 1.729 1.00 52.23 H new ATOM 0 HA PHE A 137 -3.290 -3.705 0.351 1.00 40.13 H new ATOM 0 HB2 PHE A 137 -3.064 -2.610 2.591 1.00 55.13 H new ATOM 0 HB3 PHE A 137 -4.348 -3.628 3.212 1.00 55.13 H new ATOM 0 HD1 PHE A 137 -3.955 -5.998 3.680 1.00 70.22 H new ATOM 0 HD2 PHE A 137 -0.835 -3.479 2.242 1.00 63.34 H new ATOM 0 HE1 PHE A 137 -2.297 -7.646 4.405 1.00 75.20 H new ATOM 0 HE2 PHE A 137 0.826 -5.134 2.956 1.00 71.32 H new ATOM 0 HZ PHE A 137 0.094 -7.217 4.041 1.00 61.44 H new ATOM 2062 N LEU A 138 -4.448 -5.845 -0.065 1.00 43.32 N ATOM 2063 CA LEU A 138 -5.052 -7.153 -0.277 1.00 32.34 C ATOM 2064 C LEU A 138 -4.022 -8.235 -0.037 1.00 50.34 C ATOM 2065 O LEU A 138 -2.836 -8.036 -0.290 1.00 32.42 O ATOM 2066 CB LEU A 138 -5.642 -7.325 -1.705 1.00 34.22 C ATOM 2067 CG LEU A 138 -6.873 -6.482 -2.111 1.00 71.01 C ATOM 2068 CD1 LEU A 138 -8.000 -6.597 -1.095 1.00 75.14 C ATOM 2069 CD2 LEU A 138 -6.513 -5.033 -2.389 1.00 64.42 C ATOM 0 H LEU A 138 -3.723 -5.600 -0.740 1.00 43.32 H new ATOM 0 HA LEU A 138 -5.877 -7.236 0.431 1.00 32.34 H new ATOM 0 HB2 LEU A 138 -4.846 -7.111 -2.418 1.00 34.22 H new ATOM 0 HB3 LEU A 138 -5.907 -8.375 -1.828 1.00 34.22 H new ATOM 0 HG LEU A 138 -7.240 -6.900 -3.048 1.00 71.01 H new ATOM 0 HD11 LEU A 138 -8.845 -5.989 -1.419 1.00 75.14 H new ATOM 0 HD12 LEU A 138 -8.312 -7.638 -1.014 1.00 75.14 H new ATOM 0 HD13 LEU A 138 -7.652 -6.246 -0.124 1.00 75.14 H new ATOM 0 HD21 LEU A 138 -7.411 -4.483 -2.670 1.00 64.42 H new ATOM 0 HD22 LEU A 138 -6.080 -4.588 -1.494 1.00 64.42 H new ATOM 0 HD23 LEU A 138 -5.790 -4.988 -3.203 1.00 64.42 H new ATOM 2081 N ALA A 139 -4.464 -9.367 0.445 1.00 35.14 N ATOM 2082 CA ALA A 139 -3.575 -10.480 0.681 1.00 71.51 C ATOM 2083 C ALA A 139 -3.206 -11.129 -0.636 1.00 50.41 C ATOM 2084 O ALA A 139 -4.044 -11.215 -1.554 1.00 24.32 O ATOM 2085 CB ALA A 139 -4.227 -11.499 1.595 1.00 21.44 C ATOM 0 H ALA A 139 -5.440 -9.545 0.684 1.00 35.14 H new ATOM 0 HA ALA A 139 -2.672 -10.109 1.166 1.00 71.51 H new ATOM 0 HB1 ALA A 139 -3.542 -12.330 1.761 1.00 21.44 H new ATOM 0 HB2 ALA A 139 -4.467 -11.031 2.549 1.00 21.44 H new ATOM 0 HB3 ALA A 139 -5.142 -11.870 1.133 1.00 21.44 H new ATOM 2091 N GLY A 140 -1.958 -11.558 -0.733 1.00 23.43 N ATOM 2092 CA GLY A 140 -1.454 -12.176 -1.933 1.00 62.05 C ATOM 2093 C GLY A 140 -2.195 -13.444 -2.285 1.00 63.03 C ATOM 2094 O GLY A 140 -2.475 -14.261 -1.398 1.00 35.32 O ATOM 0 H GLY A 140 -1.273 -11.485 0.019 1.00 23.43 H new ATOM 0 HA2 GLY A 140 -1.532 -11.472 -2.761 1.00 62.05 H new ATOM 0 HA3 GLY A 140 -0.395 -12.401 -1.805 1.00 62.05 H new ATOM 2098 N PRO A 141 -2.527 -13.630 -3.570 1.00 3.54 N ATOM 2099 CA PRO A 141 -3.275 -14.791 -4.042 1.00 4.40 C ATOM 2100 C PRO A 141 -2.488 -16.088 -3.892 1.00 32.52 C ATOM 2101 O PRO A 141 -1.243 -16.076 -3.769 1.00 61.13 O ATOM 2102 CB PRO A 141 -3.518 -14.489 -5.525 1.00 32.25 C ATOM 2103 CG PRO A 141 -2.436 -13.545 -5.901 1.00 43.40 C ATOM 2104 CD PRO A 141 -2.183 -12.715 -4.682 1.00 23.22 C ATOM 0 HA PRO A 141 -4.190 -14.940 -3.468 1.00 4.40 H new ATOM 0 HB2 PRO A 141 -3.477 -15.398 -6.126 1.00 32.25 H new ATOM 0 HB3 PRO A 141 -4.502 -14.047 -5.683 1.00 32.25 H new ATOM 0 HG2 PRO A 141 -1.536 -14.081 -6.204 1.00 43.40 H new ATOM 0 HG3 PRO A 141 -2.735 -12.922 -6.744 1.00 43.40 H new ATOM 0 HD2 PRO A 141 -1.145 -12.387 -4.627 1.00 23.22 H new ATOM 0 HD3 PRO A 141 -2.802 -11.818 -4.671 1.00 23.22 H new ATOM 2112 N ALA A 142 -3.199 -17.200 -3.950 1.00 63.13 N ATOM 2113 CA ALA A 142 -2.623 -18.537 -3.805 1.00 33.13 C ATOM 2114 C ALA A 142 -1.939 -18.983 -5.107 1.00 52.00 C ATOM 2115 O ALA A 142 -2.073 -20.122 -5.557 1.00 51.31 O ATOM 2116 CB ALA A 142 -3.713 -19.512 -3.403 1.00 73.51 C ATOM 0 H ALA A 142 -4.208 -17.206 -4.101 1.00 63.13 H new ATOM 0 HA ALA A 142 -1.860 -18.515 -3.027 1.00 33.13 H new ATOM 0 HB1 ALA A 142 -3.287 -20.509 -3.294 1.00 73.51 H new ATOM 0 HB2 ALA A 142 -4.150 -19.199 -2.455 1.00 73.51 H new ATOM 0 HB3 ALA A 142 -4.487 -19.530 -4.171 1.00 73.51 H new ATOM 2122 N GLU A 143 -1.173 -18.085 -5.653 1.00 25.14 N ATOM 2123 CA GLU A 143 -0.441 -18.277 -6.861 1.00 71.31 C ATOM 2124 C GLU A 143 0.830 -19.045 -6.508 1.00 24.50 C ATOM 2125 O GLU A 143 1.727 -18.457 -5.855 1.00 37.92 O ATOM 2126 CB GLU A 143 -0.090 -16.904 -7.445 1.00 12.44 C ATOM 2127 CG GLU A 143 0.450 -16.929 -8.859 1.00 23.40 C ATOM 2128 CD GLU A 143 -0.586 -17.344 -9.870 1.00 61.23 C ATOM 2129 OE1 GLU A 143 -1.459 -16.508 -10.227 1.00 73.30 O ATOM 2130 OE2 GLU A 143 -0.553 -18.500 -10.339 1.00 34.51 O ATOM 2131 OXT GLU A 143 0.934 -20.241 -6.832 1.00 37.92 O ATOM 0 H GLU A 143 -1.038 -17.159 -5.247 1.00 25.14 H new ATOM 0 HA GLU A 143 -1.020 -18.834 -7.598 1.00 71.31 H new ATOM 0 HB2 GLU A 143 -0.982 -16.278 -7.424 1.00 12.44 H new ATOM 0 HB3 GLU A 143 0.648 -16.429 -6.799 1.00 12.44 H new ATOM 0 HG2 GLU A 143 0.827 -15.939 -9.117 1.00 23.40 H new ATOM 0 HG3 GLU A 143 1.295 -17.615 -8.909 1.00 23.40 H new