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 HE2:sc= -3.56! C(o=-3.1!,f=-8.7!) USER MOD Set 1.2: A 110 THR OG1 : rot -48:sc= 0.448 USER MOD Set 2.1: A 65 GLN : amide:sc= -1.29 K(o=0.84,f=-1.7) USER MOD Set 2.2: A 68 THR OG1 : rot -64:sc= 2.13 USER MOD Single : A 16 SER OG : rot 34:sc= 0.17 USER MOD Single : A 24 LYS NZ :NH3+ 131:sc= -0.0149 (180deg=-0.131) USER MOD Single : A 26 MET CE :methyl -173:sc= -1.3 (180deg=-1.37) USER MOD Single : A 28 SER OG : rot 76:sc= 0.195 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 76:sc= 2.07 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.39 K(o=-0.39,f=-2.3) USER MOD Single : A 46 SER OG : rot 80:sc= -0.0215 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.949 K(o=0.95,f=-6.2!) USER MOD Single : A 67 THR OG1 : rot 180:sc=-0.00292 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0.353 K(o=0.35,f=-2.6!) USER MOD Single : A 76 SER OG : rot 110:sc= 0.894 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 1.24 K(o=1.2,f=-0.058) USER MOD Single : A 106 SER OG : rot 180:sc= -0.179 USER MOD Single : A 108 ASN : amide:sc= -0.987 K(o=-0.99,f=-3!) USER MOD Single : A 111 TYR OH : rot 151:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.13 K(o=1.1,f=-0.026) USER MOD Single : A 118 ASN : amide:sc=-0.00981 K(o=-0.0098,f=-2.4!) USER MOD Single : A 120 GLN : amide:sc= 1.73 K(o=1.7,f=-7.4!) USER MOD Single : A 122 MET CE :methyl 178:sc= -1.2 (180deg=-1.21) USER MOD Single : A 123 GLN : amide:sc= 0.775 K(o=0.78,f=-0.49) USER MOD Single : A 124 THR OG1 : rot -152:sc= 0.622 USER MOD Single : A 129 GLN : amide:sc= 0.843 K(o=0.84,f=-4.7!) USER MOD Single : A 132 LYS NZ :NH3+ -177:sc= 0.926 (180deg=0.87) USER MOD ----------------------------------------------------------------- ATOM 214 N SER A 16 5.866 19.055 7.247 1.00 33.13 N ATOM 215 CA SER A 16 4.916 20.004 7.769 1.00 61.12 C ATOM 216 C SER A 16 3.546 19.334 7.934 1.00 12.41 C ATOM 217 O SER A 16 3.208 18.413 7.188 1.00 24.40 O ATOM 218 CB SER A 16 4.840 21.195 6.814 1.00 34.33 C ATOM 219 OG SER A 16 6.149 21.736 6.594 1.00 52.45 O ATOM 0 HA SER A 16 5.232 20.357 8.751 1.00 61.12 H new ATOM 0 HB2 SER A 16 4.403 20.883 5.865 1.00 34.33 H new ATOM 0 HB3 SER A 16 4.186 21.962 7.229 1.00 34.33 H new ATOM 0 HG SER A 16 6.809 21.011 6.604 1.00 52.45 H new ATOM 225 N VAL A 17 2.785 19.781 8.908 1.00 40.42 N ATOM 226 CA VAL A 17 1.487 19.205 9.199 1.00 23.34 C ATOM 227 C VAL A 17 0.409 19.852 8.325 1.00 65.02 C ATOM 228 O VAL A 17 0.141 21.066 8.434 1.00 34.34 O ATOM 229 CB VAL A 17 1.114 19.401 10.697 1.00 5.21 C ATOM 230 CG1 VAL A 17 -0.218 18.741 11.025 1.00 73.31 C ATOM 231 CG2 VAL A 17 2.210 18.869 11.606 1.00 2.31 C ATOM 0 H VAL A 17 3.046 20.553 9.521 1.00 40.42 H new ATOM 0 HA VAL A 17 1.541 18.138 8.983 1.00 23.34 H new ATOM 0 HB VAL A 17 1.013 20.472 10.873 1.00 5.21 H new ATOM 0 HG11 VAL A 17 -0.451 18.895 12.079 1.00 73.31 H new ATOM 0 HG12 VAL A 17 -1.003 19.182 10.411 1.00 73.31 H new ATOM 0 HG13 VAL A 17 -0.155 17.672 10.820 1.00 73.31 H new ATOM 0 HG21 VAL A 17 1.924 19.019 12.647 1.00 2.31 H new ATOM 0 HG22 VAL A 17 2.354 17.805 11.418 1.00 2.31 H new ATOM 0 HG23 VAL A 17 3.140 19.402 11.405 1.00 2.31 H new ATOM 241 N PHE A 18 -0.193 19.074 7.473 1.00 71.34 N ATOM 242 CA PHE A 18 -1.258 19.558 6.630 1.00 14.42 C ATOM 243 C PHE A 18 -2.575 18.981 7.127 1.00 11.04 C ATOM 244 O PHE A 18 -2.731 17.772 7.252 1.00 73.52 O ATOM 245 CB PHE A 18 -1.003 19.241 5.136 1.00 34.04 C ATOM 246 CG PHE A 18 -1.009 17.781 4.763 1.00 70.43 C ATOM 247 CD1 PHE A 18 -0.024 16.930 5.211 1.00 42.33 C ATOM 248 CD2 PHE A 18 -2.008 17.270 3.959 1.00 21.00 C ATOM 249 CE1 PHE A 18 -0.035 15.605 4.868 1.00 64.54 C ATOM 250 CE2 PHE A 18 -2.022 15.940 3.612 1.00 43.21 C ATOM 251 CZ PHE A 18 -1.030 15.108 4.068 1.00 75.11 C ATOM 0 H PHE A 18 0.036 18.089 7.340 1.00 71.34 H new ATOM 0 HA PHE A 18 -1.302 20.645 6.693 1.00 14.42 H new ATOM 0 HB2 PHE A 18 -1.761 19.751 4.542 1.00 34.04 H new ATOM 0 HB3 PHE A 18 -0.039 19.664 4.854 1.00 34.04 H new ATOM 0 HD1 PHE A 18 0.766 17.312 5.840 1.00 42.33 H new ATOM 0 HD2 PHE A 18 -2.788 17.923 3.598 1.00 21.00 H new ATOM 0 HE1 PHE A 18 0.743 14.949 5.229 1.00 64.54 H new ATOM 0 HE2 PHE A 18 -2.810 15.551 2.984 1.00 43.21 H new ATOM 0 HZ PHE A 18 -1.034 14.063 3.796 1.00 75.11 H new ATOM 261 N ARG A 19 -3.469 19.851 7.493 1.00 21.14 N ATOM 262 CA ARG A 19 -4.739 19.469 8.043 1.00 62.44 C ATOM 263 C ARG A 19 -5.887 20.239 7.441 1.00 21.34 C ATOM 264 O ARG A 19 -5.738 21.414 7.081 1.00 11.00 O ATOM 265 CB ARG A 19 -4.750 19.504 9.570 1.00 1.31 C ATOM 266 CG ARG A 19 -4.033 18.316 10.186 1.00 43.11 C ATOM 267 CD ARG A 19 -4.030 18.353 11.695 1.00 52.11 C ATOM 268 NE ARG A 19 -3.433 17.128 12.247 1.00 50.34 N ATOM 269 CZ ARG A 19 -2.837 17.018 13.439 1.00 64.43 C ATOM 270 NH1 ARG A 19 -2.665 18.090 14.207 1.00 5.01 N ATOM 271 NH2 ARG A 19 -2.402 15.835 13.855 1.00 52.35 N ATOM 0 H ARG A 19 -3.337 20.860 7.418 1.00 21.14 H new ATOM 0 HA ARG A 19 -4.890 18.427 7.760 1.00 62.44 H new ATOM 0 HB2 ARG A 19 -4.279 20.425 9.912 1.00 1.31 H new ATOM 0 HB3 ARG A 19 -5.781 19.524 9.922 1.00 1.31 H new ATOM 0 HG2 ARG A 19 -4.511 17.395 9.851 1.00 43.11 H new ATOM 0 HG3 ARG A 19 -3.005 18.291 9.826 1.00 43.11 H new ATOM 0 HD2 ARG A 19 -3.471 19.223 12.041 1.00 52.11 H new ATOM 0 HD3 ARG A 19 -5.050 18.463 12.062 1.00 52.11 H new ATOM 0 HE ARG A 19 -3.477 16.288 11.670 1.00 50.34 H new ATOM 0 HH11 ARG A 19 -2.989 19.003 13.888 1.00 5.01 H new ATOM 0 HH12 ARG A 19 -2.210 17.999 15.115 1.00 5.01 H new ATOM 0 HH21 ARG A 19 -2.522 15.011 13.266 1.00 52.35 H new ATOM 0 HH22 ARG A 19 -1.947 15.750 14.764 1.00 52.35 H new ATOM 285 N ALA A 20 -6.990 19.515 7.232 1.00 72.53 N ATOM 286 CA ALA A 20 -8.268 20.008 6.685 1.00 62.40 C ATOM 287 C ALA A 20 -8.291 20.077 5.173 1.00 53.40 C ATOM 288 O ALA A 20 -9.353 20.040 4.551 1.00 35.33 O ATOM 289 CB ALA A 20 -8.770 21.289 7.352 1.00 4.04 C ATOM 0 H ALA A 20 -7.023 18.519 7.449 1.00 72.53 H new ATOM 0 HA ALA A 20 -8.997 19.243 6.952 1.00 62.40 H new ATOM 0 HB1 ALA A 20 -9.714 21.590 6.897 1.00 4.04 H new ATOM 0 HB2 ALA A 20 -8.921 21.110 8.416 1.00 4.04 H new ATOM 0 HB3 ALA A 20 -8.034 22.081 7.218 1.00 4.04 H new ATOM 295 N ASP A 21 -7.141 20.118 4.589 1.00 24.33 N ATOM 296 CA ASP A 21 -7.015 20.108 3.134 1.00 42.41 C ATOM 297 C ASP A 21 -7.161 18.687 2.653 1.00 52.01 C ATOM 298 O ASP A 21 -7.833 18.415 1.655 1.00 12.25 O ATOM 299 CB ASP A 21 -5.687 20.721 2.663 1.00 4.44 C ATOM 300 CG ASP A 21 -4.471 19.952 3.103 1.00 41.22 C ATOM 301 OD1 ASP A 21 -4.201 19.928 4.319 1.00 22.33 O ATOM 302 OD2 ASP A 21 -3.766 19.385 2.235 1.00 34.33 O ATOM 0 H ASP A 21 -6.252 20.160 5.087 1.00 24.33 H new ATOM 0 HA ASP A 21 -7.802 20.729 2.706 1.00 42.41 H new ATOM 0 HB2 ASP A 21 -5.692 20.782 1.575 1.00 4.44 H new ATOM 0 HB3 ASP A 21 -5.615 21.741 3.039 1.00 4.44 H new ATOM 307 N LEU A 22 -6.594 17.773 3.426 1.00 42.20 N ATOM 308 CA LEU A 22 -6.720 16.353 3.173 1.00 60.33 C ATOM 309 C LEU A 22 -8.169 15.903 3.323 1.00 75.31 C ATOM 310 O LEU A 22 -8.611 14.969 2.683 1.00 54.11 O ATOM 311 CB LEU A 22 -5.735 15.525 4.063 1.00 31.12 C ATOM 312 CG LEU A 22 -5.694 15.787 5.605 1.00 62.13 C ATOM 313 CD1 LEU A 22 -6.966 15.356 6.319 1.00 45.24 C ATOM 314 CD2 LEU A 22 -4.496 15.091 6.226 1.00 11.10 C ATOM 0 H LEU A 22 -6.033 18.000 4.247 1.00 42.20 H new ATOM 0 HA LEU A 22 -6.433 16.161 2.139 1.00 60.33 H new ATOM 0 HB2 LEU A 22 -5.968 14.470 3.916 1.00 31.12 H new ATOM 0 HB3 LEU A 22 -4.729 15.687 3.676 1.00 31.12 H new ATOM 0 HG LEU A 22 -5.607 16.866 5.732 1.00 62.13 H new ATOM 0 HD11 LEU A 22 -6.873 15.565 7.385 1.00 45.24 H new ATOM 0 HD12 LEU A 22 -7.815 15.907 5.914 1.00 45.24 H new ATOM 0 HD13 LEU A 22 -7.122 14.288 6.171 1.00 45.24 H new ATOM 0 HD21 LEU A 22 -4.480 15.282 7.299 1.00 11.10 H new ATOM 0 HD22 LEU A 22 -4.567 14.018 6.049 1.00 11.10 H new ATOM 0 HD23 LEU A 22 -3.580 15.473 5.776 1.00 11.10 H new ATOM 326 N LEU A 23 -8.909 16.636 4.137 1.00 41.00 N ATOM 327 CA LEU A 23 -10.296 16.339 4.415 1.00 63.13 C ATOM 328 C LEU A 23 -11.144 16.736 3.215 1.00 63.24 C ATOM 329 O LEU A 23 -12.047 16.013 2.811 1.00 44.30 O ATOM 330 CB LEU A 23 -10.734 17.090 5.683 1.00 1.25 C ATOM 331 CG LEU A 23 -12.158 16.838 6.196 1.00 5.22 C ATOM 332 CD1 LEU A 23 -12.360 15.371 6.548 1.00 14.21 C ATOM 333 CD2 LEU A 23 -12.434 17.709 7.409 1.00 3.34 C ATOM 0 H LEU A 23 -8.558 17.460 4.625 1.00 41.00 H new ATOM 0 HA LEU A 23 -10.427 15.271 4.589 1.00 63.13 H new ATOM 0 HB2 LEU A 23 -10.038 16.836 6.482 1.00 1.25 H new ATOM 0 HB3 LEU A 23 -10.628 18.158 5.495 1.00 1.25 H new ATOM 0 HG LEU A 23 -12.859 17.096 5.402 1.00 5.22 H new ATOM 0 HD11 LEU A 23 -13.377 15.220 6.909 1.00 14.21 H new ATOM 0 HD12 LEU A 23 -12.195 14.758 5.662 1.00 14.21 H new ATOM 0 HD13 LEU A 23 -11.653 15.083 7.326 1.00 14.21 H new ATOM 0 HD21 LEU A 23 -13.447 17.524 7.767 1.00 3.34 H new ATOM 0 HD22 LEU A 23 -11.721 17.470 8.198 1.00 3.34 H new ATOM 0 HD23 LEU A 23 -12.333 18.759 7.134 1.00 3.34 H new ATOM 345 N LYS A 24 -10.807 17.867 2.618 1.00 13.02 N ATOM 346 CA LYS A 24 -11.506 18.348 1.438 1.00 12.22 C ATOM 347 C LYS A 24 -11.218 17.449 0.247 1.00 11.24 C ATOM 348 O LYS A 24 -12.122 17.111 -0.529 1.00 41.25 O ATOM 349 CB LYS A 24 -11.105 19.788 1.110 1.00 63.12 C ATOM 350 CG LYS A 24 -11.483 20.802 2.171 1.00 13.02 C ATOM 351 CD LYS A 24 -11.035 22.196 1.769 1.00 1.13 C ATOM 352 CE LYS A 24 -11.423 23.241 2.804 1.00 41.31 C ATOM 353 NZ LYS A 24 -10.810 22.982 4.130 1.00 73.14 N ATOM 0 H LYS A 24 -10.049 18.472 2.933 1.00 13.02 H new ATOM 0 HA LYS A 24 -12.575 18.327 1.651 1.00 12.22 H new ATOM 0 HB2 LYS A 24 -10.026 19.826 0.957 1.00 63.12 H new ATOM 0 HB3 LYS A 24 -11.571 20.076 0.168 1.00 63.12 H new ATOM 0 HG2 LYS A 24 -12.562 20.792 2.322 1.00 13.02 H new ATOM 0 HG3 LYS A 24 -11.025 20.528 3.122 1.00 13.02 H new ATOM 0 HD2 LYS A 24 -9.953 22.204 1.634 1.00 1.13 H new ATOM 0 HD3 LYS A 24 -11.478 22.456 0.808 1.00 1.13 H new ATOM 0 HE2 LYS A 24 -11.118 24.227 2.453 1.00 41.31 H new ATOM 0 HE3 LYS A 24 -12.508 23.261 2.906 1.00 41.31 H new ATOM 0 HZ1 LYS A 24 -10.367 23.854 4.484 1.00 73.14 H new ATOM 0 HZ2 LYS A 24 -11.545 22.671 4.797 1.00 73.14 H new ATOM 0 HZ3 LYS A 24 -10.088 22.239 4.039 1.00 73.14 H new ATOM 367 N GLU A 25 -9.964 17.043 0.124 1.00 31.12 N ATOM 368 CA GLU A 25 -9.540 16.203 -0.970 1.00 31.13 C ATOM 369 C GLU A 25 -10.149 14.803 -0.836 1.00 15.40 C ATOM 370 O GLU A 25 -10.596 14.220 -1.817 1.00 41.25 O ATOM 371 CB GLU A 25 -8.015 16.124 -1.016 1.00 42.34 C ATOM 372 CG GLU A 25 -7.469 15.576 -2.323 1.00 31.12 C ATOM 373 CD GLU A 25 -7.820 16.471 -3.483 1.00 62.02 C ATOM 374 OE1 GLU A 25 -7.109 17.477 -3.707 1.00 30.12 O ATOM 375 OE2 GLU A 25 -8.826 16.205 -4.178 1.00 41.44 O ATOM 0 H GLU A 25 -9.221 17.288 0.778 1.00 31.12 H new ATOM 0 HA GLU A 25 -9.892 16.642 -1.904 1.00 31.13 H new ATOM 0 HB2 GLU A 25 -7.604 17.120 -0.850 1.00 42.34 H new ATOM 0 HB3 GLU A 25 -7.668 15.495 -0.196 1.00 42.34 H new ATOM 0 HG2 GLU A 25 -6.386 15.476 -2.253 1.00 31.12 H new ATOM 0 HG3 GLU A 25 -7.871 14.578 -2.497 1.00 31.12 H new ATOM 382 N MET A 26 -10.206 14.298 0.393 1.00 11.50 N ATOM 383 CA MET A 26 -10.756 12.967 0.675 1.00 51.02 C ATOM 384 C MET A 26 -12.212 12.875 0.223 1.00 73.13 C ATOM 385 O MET A 26 -12.639 11.853 -0.314 1.00 64.31 O ATOM 386 CB MET A 26 -10.672 12.652 2.164 1.00 62.11 C ATOM 387 CG MET A 26 -11.095 11.234 2.523 1.00 64.12 C ATOM 388 SD MET A 26 -11.171 10.949 4.308 1.00 1.45 S ATOM 389 CE MET A 26 -12.532 12.042 4.748 1.00 64.22 C ATOM 0 H MET A 26 -9.875 14.794 1.221 1.00 11.50 H new ATOM 0 HA MET A 26 -10.162 12.241 0.120 1.00 51.02 H new ATOM 0 HB2 MET A 26 -9.648 12.811 2.501 1.00 62.11 H new ATOM 0 HB3 MET A 26 -11.300 13.356 2.710 1.00 62.11 H new ATOM 0 HG2 MET A 26 -12.073 11.031 2.086 1.00 64.12 H new ATOM 0 HG3 MET A 26 -10.394 10.528 2.077 1.00 64.12 H new ATOM 0 HE1 MET A 26 -12.631 12.082 5.833 1.00 64.22 H new ATOM 0 HE2 MET A 26 -12.333 13.043 4.365 1.00 64.22 H new ATOM 0 HE3 MET A 26 -13.457 11.664 4.313 1.00 64.22 H new ATOM 399 N GLU A 27 -12.962 13.950 0.434 1.00 50.14 N ATOM 400 CA GLU A 27 -14.362 14.011 0.022 1.00 3.41 C ATOM 401 C GLU A 27 -14.483 13.912 -1.494 1.00 32.41 C ATOM 402 O GLU A 27 -15.385 13.258 -2.018 1.00 74.03 O ATOM 403 CB GLU A 27 -15.016 15.299 0.516 1.00 50.14 C ATOM 404 CG GLU A 27 -15.114 15.407 2.023 1.00 62.21 C ATOM 405 CD GLU A 27 -15.955 14.315 2.613 1.00 4.10 C ATOM 406 OE1 GLU A 27 -17.205 14.463 2.630 1.00 74.24 O ATOM 407 OE2 GLU A 27 -15.411 13.308 3.069 1.00 63.14 O ATOM 0 H GLU A 27 -12.623 14.797 0.891 1.00 50.14 H new ATOM 0 HA GLU A 27 -14.881 13.163 0.470 1.00 3.41 H new ATOM 0 HB2 GLU A 27 -14.448 16.149 0.138 1.00 50.14 H new ATOM 0 HB3 GLU A 27 -16.018 15.370 0.092 1.00 50.14 H new ATOM 0 HG2 GLU A 27 -14.114 15.367 2.455 1.00 62.21 H new ATOM 0 HG3 GLU A 27 -15.538 16.375 2.290 1.00 62.21 H new ATOM 414 N SER A 28 -13.562 14.543 -2.187 1.00 61.05 N ATOM 415 CA SER A 28 -13.527 14.516 -3.629 1.00 1.24 C ATOM 416 C SER A 28 -13.081 13.134 -4.125 1.00 2.21 C ATOM 417 O SER A 28 -13.610 12.617 -5.121 1.00 53.11 O ATOM 418 CB SER A 28 -12.566 15.588 -4.121 1.00 53.43 C ATOM 419 OG SER A 28 -12.905 16.851 -3.553 1.00 11.32 O ATOM 0 H SER A 28 -12.814 15.091 -1.763 1.00 61.05 H new ATOM 0 HA SER A 28 -14.525 14.713 -4.021 1.00 1.24 H new ATOM 0 HB2 SER A 28 -11.544 15.322 -3.851 1.00 53.43 H new ATOM 0 HB3 SER A 28 -12.603 15.648 -5.209 1.00 53.43 H new ATOM 0 HG SER A 28 -12.609 16.880 -2.619 1.00 11.32 H new ATOM 425 N SER A 29 -12.126 12.546 -3.421 1.00 50.14 N ATOM 426 CA SER A 29 -11.594 11.249 -3.754 1.00 23.11 C ATOM 427 C SER A 29 -12.668 10.170 -3.564 1.00 64.34 C ATOM 428 O SER A 29 -12.902 9.345 -4.461 1.00 33.14 O ATOM 429 CB SER A 29 -10.345 10.940 -2.892 1.00 1.12 C ATOM 430 OG SER A 29 -9.691 9.752 -3.321 1.00 5.45 O ATOM 0 H SER A 29 -11.699 12.966 -2.595 1.00 50.14 H new ATOM 0 HA SER A 29 -11.292 11.252 -4.801 1.00 23.11 H new ATOM 0 HB2 SER A 29 -9.650 11.778 -2.945 1.00 1.12 H new ATOM 0 HB3 SER A 29 -10.640 10.836 -1.848 1.00 1.12 H new ATOM 0 HG SER A 29 -8.907 9.588 -2.757 1.00 5.45 H new ATOM 436 N THR A 30 -13.348 10.212 -2.445 1.00 11.55 N ATOM 437 CA THR A 30 -14.333 9.220 -2.124 1.00 10.44 C ATOM 438 C THR A 30 -15.675 9.538 -2.781 1.00 22.24 C ATOM 439 O THR A 30 -16.427 10.384 -2.302 1.00 14.14 O ATOM 440 CB THR A 30 -14.538 9.132 -0.604 1.00 5.42 C ATOM 441 OG1 THR A 30 -13.257 9.175 0.044 1.00 11.11 O ATOM 442 CG2 THR A 30 -15.232 7.826 -0.236 1.00 52.13 C ATOM 0 H THR A 30 -13.232 10.935 -1.735 1.00 11.55 H new ATOM 0 HA THR A 30 -13.965 8.267 -2.504 1.00 10.44 H new ATOM 0 HB THR A 30 -15.158 9.969 -0.281 1.00 5.42 H new ATOM 0 HG1 THR A 30 -12.919 10.095 0.040 1.00 11.11 H new ATOM 0 HG21 THR A 30 -15.370 7.779 0.844 1.00 52.13 H new ATOM 0 HG22 THR A 30 -16.203 7.779 -0.728 1.00 52.13 H new ATOM 0 HG23 THR A 30 -14.620 6.985 -0.561 1.00 52.13 H new ATOM 450 N GLY A 31 -15.936 8.911 -3.895 1.00 44.11 N ATOM 451 CA GLY A 31 -17.228 9.028 -4.514 1.00 5.40 C ATOM 452 C GLY A 31 -18.005 7.783 -4.223 1.00 75.54 C ATOM 453 O GLY A 31 -19.040 7.812 -3.541 1.00 5.22 O ATOM 0 H GLY A 31 -15.274 8.315 -4.392 1.00 44.11 H new ATOM 0 HA2 GLY A 31 -17.755 9.902 -4.131 1.00 5.40 H new ATOM 0 HA3 GLY A 31 -17.122 9.166 -5.590 1.00 5.40 H new ATOM 457 N THR A 32 -17.458 6.692 -4.676 1.00 25.31 N ATOM 458 CA THR A 32 -17.995 5.396 -4.465 1.00 21.42 C ATOM 459 C THR A 32 -17.015 4.620 -3.591 1.00 63.22 C ATOM 460 O THR A 32 -15.820 4.555 -3.908 1.00 41.32 O ATOM 461 CB THR A 32 -18.146 4.666 -5.817 1.00 73.44 C ATOM 462 OG1 THR A 32 -18.917 5.482 -6.719 1.00 32.00 O ATOM 463 CG2 THR A 32 -18.836 3.318 -5.637 1.00 43.21 C ATOM 0 H THR A 32 -16.596 6.690 -5.221 1.00 25.31 H new ATOM 0 HA THR A 32 -18.972 5.468 -3.987 1.00 21.42 H new ATOM 0 HB THR A 32 -17.151 4.492 -6.228 1.00 73.44 H new ATOM 0 HG1 THR A 32 -19.012 5.020 -7.578 1.00 32.00 H new ATOM 0 HG21 THR A 32 -18.930 2.825 -6.605 1.00 43.21 H new ATOM 0 HG22 THR A 32 -18.245 2.693 -4.967 1.00 43.21 H new ATOM 0 HG23 THR A 32 -19.827 3.471 -5.210 1.00 43.21 H new ATOM 471 N ALA A 33 -17.488 4.103 -2.484 1.00 23.32 N ATOM 472 CA ALA A 33 -16.674 3.282 -1.616 1.00 24.34 C ATOM 473 C ALA A 33 -17.053 1.807 -1.798 1.00 51.34 C ATOM 474 O ALA A 33 -18.050 1.334 -1.221 1.00 51.42 O ATOM 475 CB ALA A 33 -16.843 3.712 -0.166 1.00 0.32 C ATOM 0 H ALA A 33 -18.445 4.238 -2.158 1.00 23.32 H new ATOM 0 HA ALA A 33 -15.625 3.409 -1.882 1.00 24.34 H new ATOM 0 HB1 ALA A 33 -16.224 3.084 0.474 1.00 0.32 H new ATOM 0 HB2 ALA A 33 -16.538 4.753 -0.057 1.00 0.32 H new ATOM 0 HB3 ALA A 33 -17.888 3.607 0.125 1.00 0.32 H new ATOM 481 N PRO A 34 -16.333 1.080 -2.665 1.00 53.03 N ATOM 482 CA PRO A 34 -16.604 -0.320 -2.923 1.00 35.45 C ATOM 483 C PRO A 34 -16.106 -1.212 -1.798 1.00 52.43 C ATOM 484 O PRO A 34 -15.038 -0.967 -1.208 1.00 63.40 O ATOM 485 CB PRO A 34 -15.830 -0.617 -4.222 1.00 2.23 C ATOM 486 CG PRO A 34 -15.290 0.700 -4.674 1.00 21.43 C ATOM 487 CD PRO A 34 -15.186 1.541 -3.443 1.00 13.35 C ATOM 0 HA PRO A 34 -17.673 -0.516 -3.002 1.00 35.45 H new ATOM 0 HB2 PRO A 34 -15.026 -1.331 -4.045 1.00 2.23 H new ATOM 0 HB3 PRO A 34 -16.484 -1.053 -4.977 1.00 2.23 H new ATOM 0 HG2 PRO A 34 -14.317 0.581 -5.150 1.00 21.43 H new ATOM 0 HG3 PRO A 34 -15.950 1.162 -5.409 1.00 21.43 H new ATOM 0 HD2 PRO A 34 -14.245 1.381 -2.917 1.00 13.35 H new ATOM 0 HD3 PRO A 34 -15.247 2.605 -3.669 1.00 13.35 H new ATOM 495 N ALA A 35 -16.855 -2.232 -1.514 1.00 53.42 N ATOM 496 CA ALA A 35 -16.478 -3.198 -0.520 1.00 54.40 C ATOM 497 C ALA A 35 -15.662 -4.279 -1.198 1.00 3.31 C ATOM 498 O ALA A 35 -15.789 -4.476 -2.408 1.00 14.55 O ATOM 499 CB ALA A 35 -17.715 -3.782 0.124 1.00 12.03 C ATOM 0 H ALA A 35 -17.750 -2.422 -1.965 1.00 53.42 H new ATOM 0 HA ALA A 35 -15.883 -2.729 0.264 1.00 54.40 H new ATOM 0 HB1 ALA A 35 -17.422 -4.514 0.877 1.00 12.03 H new ATOM 0 HB2 ALA A 35 -18.290 -2.985 0.596 1.00 12.03 H new ATOM 0 HB3 ALA A 35 -18.326 -4.268 -0.636 1.00 12.03 H new ATOM 505 N SER A 36 -14.819 -4.951 -0.460 1.00 63.23 N ATOM 506 CA SER A 36 -13.979 -5.969 -1.047 1.00 74.40 C ATOM 507 C SER A 36 -14.318 -7.372 -0.520 1.00 14.23 C ATOM 508 O SER A 36 -14.714 -7.542 0.643 1.00 31.41 O ATOM 509 CB SER A 36 -12.504 -5.635 -0.817 1.00 73.24 C ATOM 510 OG SER A 36 -12.203 -4.345 -1.338 1.00 34.30 O ATOM 0 H SER A 36 -14.694 -4.816 0.543 1.00 63.23 H new ATOM 0 HA SER A 36 -14.172 -5.981 -2.120 1.00 74.40 H new ATOM 0 HB2 SER A 36 -12.279 -5.666 0.249 1.00 73.24 H new ATOM 0 HB3 SER A 36 -11.875 -6.385 -1.297 1.00 73.24 H new ATOM 0 HG SER A 36 -11.257 -4.142 -1.183 1.00 34.30 H new ATOM 516 N THR A 37 -14.199 -8.341 -1.389 1.00 24.45 N ATOM 517 CA THR A 37 -14.404 -9.731 -1.080 1.00 12.50 C ATOM 518 C THR A 37 -13.224 -10.490 -1.670 1.00 55.50 C ATOM 519 O THR A 37 -12.703 -10.081 -2.708 1.00 44.45 O ATOM 520 CB THR A 37 -15.705 -10.240 -1.743 1.00 41.31 C ATOM 521 OG1 THR A 37 -16.791 -9.369 -1.399 1.00 72.31 O ATOM 522 CG2 THR A 37 -16.037 -11.646 -1.274 1.00 11.41 C ATOM 0 H THR A 37 -13.948 -8.178 -2.364 1.00 24.45 H new ATOM 0 HA THR A 37 -14.484 -9.876 -0.003 1.00 12.50 H new ATOM 0 HB THR A 37 -15.556 -10.252 -2.823 1.00 41.31 H new ATOM 0 HG1 THR A 37 -17.615 -9.691 -1.821 1.00 72.31 H new ATOM 0 HG21 THR A 37 -16.956 -11.982 -1.754 1.00 11.41 H new ATOM 0 HG22 THR A 37 -15.222 -12.320 -1.539 1.00 11.41 H new ATOM 0 HG23 THR A 37 -16.172 -11.646 -0.192 1.00 11.41 H new ATOM 530 N GLY A 38 -12.765 -11.529 -1.011 1.00 14.45 N ATOM 531 CA GLY A 38 -11.675 -12.303 -1.541 1.00 73.32 C ATOM 532 C GLY A 38 -10.415 -11.962 -0.823 1.00 54.10 C ATOM 533 O GLY A 38 -9.318 -12.353 -1.226 1.00 24.40 O ATOM 0 H GLY A 38 -13.128 -11.853 -0.115 1.00 14.45 H new ATOM 0 HA2 GLY A 38 -11.888 -13.367 -1.435 1.00 73.32 H new ATOM 0 HA3 GLY A 38 -11.561 -12.105 -2.607 1.00 73.32 H new ATOM 537 N ALA A 39 -10.579 -11.251 0.264 1.00 23.20 N ATOM 538 CA ALA A 39 -9.484 -10.801 1.064 1.00 61.22 C ATOM 539 C ALA A 39 -9.183 -11.844 2.110 1.00 54.41 C ATOM 540 O ALA A 39 -8.031 -12.072 2.475 1.00 2.11 O ATOM 541 CB ALA A 39 -9.833 -9.479 1.728 1.00 73.53 C ATOM 0 H ALA A 39 -11.493 -10.968 0.617 1.00 23.20 H new ATOM 0 HA ALA A 39 -8.607 -10.650 0.435 1.00 61.22 H new ATOM 0 HB1 ALA A 39 -8.992 -9.144 2.336 1.00 73.53 H new ATOM 0 HB2 ALA A 39 -10.048 -8.733 0.963 1.00 73.53 H new ATOM 0 HB3 ALA A 39 -10.710 -9.611 2.362 1.00 73.53 H new ATOM 547 N GLU A 40 -10.234 -12.519 2.527 1.00 72.20 N ATOM 548 CA GLU A 40 -10.191 -13.538 3.561 1.00 33.10 C ATOM 549 C GLU A 40 -9.810 -14.894 2.975 1.00 72.14 C ATOM 550 O GLU A 40 -9.758 -15.911 3.680 1.00 12.54 O ATOM 551 CB GLU A 40 -11.547 -13.637 4.311 1.00 44.24 C ATOM 552 CG GLU A 40 -12.798 -13.850 3.429 1.00 32.43 C ATOM 553 CD GLU A 40 -13.256 -12.599 2.691 1.00 43.04 C ATOM 554 OE1 GLU A 40 -12.787 -12.341 1.576 1.00 73.22 O ATOM 555 OE2 GLU A 40 -14.077 -11.840 3.228 1.00 41.40 O ATOM 0 H GLU A 40 -11.169 -12.371 2.147 1.00 72.20 H new ATOM 0 HA GLU A 40 -9.426 -13.244 4.279 1.00 33.10 H new ATOM 0 HB2 GLU A 40 -11.486 -14.460 5.024 1.00 44.24 H new ATOM 0 HB3 GLU A 40 -11.687 -12.724 4.889 1.00 44.24 H new ATOM 0 HG2 GLU A 40 -12.587 -14.633 2.700 1.00 32.43 H new ATOM 0 HG3 GLU A 40 -13.615 -14.209 4.055 1.00 32.43 H new ATOM 562 N ASN A 41 -9.524 -14.893 1.704 1.00 71.01 N ATOM 563 CA ASN A 41 -9.160 -16.100 0.986 1.00 30.55 C ATOM 564 C ASN A 41 -7.707 -16.446 1.230 1.00 14.01 C ATOM 565 O ASN A 41 -7.359 -17.625 1.333 1.00 51.23 O ATOM 566 CB ASN A 41 -9.409 -15.956 -0.528 1.00 2.41 C ATOM 567 CG ASN A 41 -10.881 -15.873 -0.924 1.00 21.31 C ATOM 568 OD1 ASN A 41 -11.733 -15.395 -0.166 1.00 70.33 O ATOM 569 ND2 ASN A 41 -11.183 -16.312 -2.121 1.00 62.11 N ATOM 0 H ASN A 41 -9.534 -14.053 1.125 1.00 71.01 H new ATOM 0 HA ASN A 41 -9.792 -16.904 1.363 1.00 30.55 H new ATOM 0 HB2 ASN A 41 -8.900 -15.060 -0.883 1.00 2.41 H new ATOM 0 HB3 ASN A 41 -8.956 -16.805 -1.040 1.00 2.41 H new ATOM 0 HD21 ASN A 41 -12.146 -16.265 -2.453 1.00 62.11 H new ATOM 0 HD22 ASN A 41 -10.455 -16.700 -2.720 1.00 62.11 H new ATOM 576 N LEU A 42 -6.858 -15.403 1.332 1.00 42.53 N ATOM 577 CA LEU A 42 -5.392 -15.563 1.557 1.00 22.21 C ATOM 578 C LEU A 42 -4.735 -16.557 0.541 1.00 34.32 C ATOM 579 O LEU A 42 -3.868 -17.342 0.933 1.00 41.15 O ATOM 580 CB LEU A 42 -5.114 -16.062 3.010 1.00 64.10 C ATOM 581 CG LEU A 42 -5.202 -15.060 4.189 1.00 71.11 C ATOM 582 CD1 LEU A 42 -4.248 -13.900 4.007 1.00 55.04 C ATOM 583 CD2 LEU A 42 -6.618 -14.569 4.432 1.00 54.05 C ATOM 0 H LEU A 42 -7.158 -14.431 1.263 1.00 42.53 H new ATOM 0 HA LEU A 42 -4.945 -14.580 1.405 1.00 22.21 H new ATOM 0 HB2 LEU A 42 -5.813 -16.872 3.217 1.00 64.10 H new ATOM 0 HB3 LEU A 42 -4.113 -16.494 3.022 1.00 64.10 H new ATOM 0 HG LEU A 42 -4.899 -15.609 5.081 1.00 71.11 H new ATOM 0 HD11 LEU A 42 -4.338 -13.219 4.853 1.00 55.04 H new ATOM 0 HD12 LEU A 42 -3.226 -14.275 3.950 1.00 55.04 H new ATOM 0 HD13 LEU A 42 -4.492 -13.370 3.086 1.00 55.04 H new ATOM 0 HD21 LEU A 42 -6.622 -13.870 5.268 1.00 54.05 H new ATOM 0 HD22 LEU A 42 -6.988 -14.067 3.538 1.00 54.05 H new ATOM 0 HD23 LEU A 42 -7.262 -15.417 4.665 1.00 54.05 H new ATOM 595 N PRO A 43 -5.038 -16.458 -0.792 1.00 65.21 N ATOM 596 CA PRO A 43 -4.619 -17.486 -1.766 1.00 52.52 C ATOM 597 C PRO A 43 -3.101 -17.595 -1.940 1.00 2.42 C ATOM 598 O PRO A 43 -2.517 -18.673 -1.808 1.00 24.51 O ATOM 599 CB PRO A 43 -5.273 -17.033 -3.077 1.00 60.43 C ATOM 600 CG PRO A 43 -5.470 -15.565 -2.923 1.00 31.43 C ATOM 601 CD PRO A 43 -5.747 -15.334 -1.467 1.00 14.25 C ATOM 0 HA PRO A 43 -4.922 -18.479 -1.433 1.00 52.52 H new ATOM 0 HB2 PRO A 43 -4.637 -17.258 -3.933 1.00 60.43 H new ATOM 0 HB3 PRO A 43 -6.222 -17.543 -3.241 1.00 60.43 H new ATOM 0 HG2 PRO A 43 -4.584 -15.017 -3.243 1.00 31.43 H new ATOM 0 HG3 PRO A 43 -6.300 -15.216 -3.538 1.00 31.43 H new ATOM 0 HD2 PRO A 43 -5.370 -14.366 -1.136 1.00 14.25 H new ATOM 0 HD3 PRO A 43 -6.816 -15.350 -1.255 1.00 14.25 H new ATOM 609 N ALA A 44 -2.475 -16.480 -2.215 1.00 33.44 N ATOM 610 CA ALA A 44 -1.053 -16.448 -2.489 1.00 23.55 C ATOM 611 C ALA A 44 -0.215 -16.415 -1.219 1.00 52.34 C ATOM 612 O ALA A 44 0.969 -16.693 -1.260 1.00 1.23 O ATOM 613 CB ALA A 44 -0.722 -15.256 -3.360 1.00 54.33 C ATOM 0 H ALA A 44 -2.931 -15.568 -2.256 1.00 33.44 H new ATOM 0 HA ALA A 44 -0.804 -17.370 -3.014 1.00 23.55 H new ATOM 0 HB1 ALA A 44 0.349 -15.239 -3.562 1.00 54.33 H new ATOM 0 HB2 ALA A 44 -1.267 -15.330 -4.301 1.00 54.33 H new ATOM 0 HB3 ALA A 44 -1.009 -14.339 -2.846 1.00 54.33 H new ATOM 619 N GLY A 45 -0.821 -16.048 -0.098 1.00 43.03 N ATOM 620 CA GLY A 45 -0.064 -15.948 1.160 1.00 63.00 C ATOM 621 C GLY A 45 0.725 -14.641 1.246 1.00 72.23 C ATOM 622 O GLY A 45 1.409 -14.358 2.234 1.00 73.32 O ATOM 0 H GLY A 45 -1.812 -15.817 -0.024 1.00 43.03 H new ATOM 0 HA2 GLY A 45 -0.751 -16.014 2.004 1.00 63.00 H new ATOM 0 HA3 GLY A 45 0.621 -16.792 1.240 1.00 63.00 H new ATOM 626 N SER A 46 0.605 -13.863 0.215 1.00 61.24 N ATOM 627 CA SER A 46 1.238 -12.593 0.099 1.00 20.31 C ATOM 628 C SER A 46 0.146 -11.555 -0.029 1.00 43.23 C ATOM 629 O SER A 46 -1.025 -11.911 -0.237 1.00 43.04 O ATOM 630 CB SER A 46 2.161 -12.586 -1.130 1.00 63.02 C ATOM 631 OG SER A 46 2.784 -11.328 -1.321 1.00 15.32 O ATOM 0 H SER A 46 0.041 -14.108 -0.598 1.00 61.24 H new ATOM 0 HA SER A 46 1.854 -12.375 0.972 1.00 20.31 H new ATOM 0 HB2 SER A 46 2.925 -13.355 -1.013 1.00 63.02 H new ATOM 0 HB3 SER A 46 1.584 -12.843 -2.018 1.00 63.02 H new ATOM 0 HG SER A 46 3.551 -11.248 -0.717 1.00 15.32 H new ATOM 637 N ALA A 47 0.501 -10.312 0.053 1.00 14.34 N ATOM 638 CA ALA A 47 -0.465 -9.251 0.012 1.00 4.44 C ATOM 639 C ALA A 47 0.049 -8.104 -0.812 1.00 13.23 C ATOM 640 O ALA A 47 1.264 -7.916 -0.940 1.00 72.24 O ATOM 641 CB ALA A 47 -0.815 -8.793 1.415 1.00 23.04 C ATOM 0 H ALA A 47 1.467 -10.000 0.150 1.00 14.34 H new ATOM 0 HA ALA A 47 -1.373 -9.629 -0.457 1.00 4.44 H new ATOM 0 HB1 ALA A 47 -1.548 -7.988 1.363 1.00 23.04 H new ATOM 0 HB2 ALA A 47 -1.232 -9.629 1.977 1.00 23.04 H new ATOM 0 HB3 ALA A 47 0.084 -8.432 1.915 1.00 23.04 H new ATOM 647 N LEU A 48 -0.857 -7.359 -1.379 1.00 11.40 N ATOM 648 CA LEU A 48 -0.516 -6.235 -2.187 1.00 32.11 C ATOM 649 C LEU A 48 -1.299 -5.032 -1.748 1.00 31.13 C ATOM 650 O LEU A 48 -2.366 -5.160 -1.138 1.00 75.30 O ATOM 651 CB LEU A 48 -0.688 -6.522 -3.732 1.00 54.54 C ATOM 652 CG LEU A 48 -2.111 -6.777 -4.368 1.00 1.32 C ATOM 653 CD1 LEU A 48 -2.887 -7.892 -3.714 1.00 4.23 C ATOM 654 CD2 LEU A 48 -2.956 -5.512 -4.493 1.00 20.41 C ATOM 0 H LEU A 48 -1.860 -7.521 -1.289 1.00 11.40 H new ATOM 0 HA LEU A 48 0.545 -6.029 -2.043 1.00 32.11 H new ATOM 0 HB2 LEU A 48 -0.250 -5.676 -4.262 1.00 54.54 H new ATOM 0 HB3 LEU A 48 -0.076 -7.394 -3.963 1.00 54.54 H new ATOM 0 HG LEU A 48 -1.887 -7.113 -5.380 1.00 1.32 H new ATOM 0 HD11 LEU A 48 -3.852 -8.003 -4.209 1.00 4.23 H new ATOM 0 HD12 LEU A 48 -2.327 -8.823 -3.798 1.00 4.23 H new ATOM 0 HD13 LEU A 48 -3.044 -7.657 -2.661 1.00 4.23 H new ATOM 0 HD21 LEU A 48 -3.920 -5.761 -4.937 1.00 20.41 H new ATOM 0 HD22 LEU A 48 -3.113 -5.080 -3.505 1.00 20.41 H new ATOM 0 HD23 LEU A 48 -2.440 -4.791 -5.126 1.00 20.41 H new ATOM 666 N LEU A 49 -0.776 -3.889 -2.024 1.00 3.30 N ATOM 667 CA LEU A 49 -1.470 -2.675 -1.765 1.00 43.23 C ATOM 668 C LEU A 49 -1.656 -1.960 -3.075 1.00 65.34 C ATOM 669 O LEU A 49 -0.692 -1.746 -3.829 1.00 40.33 O ATOM 670 CB LEU A 49 -0.779 -1.767 -0.700 1.00 3.52 C ATOM 671 CG LEU A 49 0.670 -1.289 -0.954 1.00 24.03 C ATOM 672 CD1 LEU A 49 1.002 -0.148 -0.014 1.00 2.22 C ATOM 673 CD2 LEU A 49 1.673 -2.414 -0.725 1.00 62.14 C ATOM 0 H LEU A 49 0.149 -3.768 -2.437 1.00 3.30 H new ATOM 0 HA LEU A 49 -2.435 -2.918 -1.321 1.00 43.23 H new ATOM 0 HB2 LEU A 49 -1.400 -0.881 -0.569 1.00 3.52 H new ATOM 0 HB3 LEU A 49 -0.787 -2.305 0.248 1.00 3.52 H new ATOM 0 HG LEU A 49 0.736 -0.963 -1.992 1.00 24.03 H new ATOM 0 HD11 LEU A 49 2.023 0.187 -0.195 1.00 2.22 H new ATOM 0 HD12 LEU A 49 0.313 0.679 -0.187 1.00 2.22 H new ATOM 0 HD13 LEU A 49 0.909 -0.488 1.018 1.00 2.22 H new ATOM 0 HD21 LEU A 49 2.682 -2.046 -0.912 1.00 62.14 H new ATOM 0 HD22 LEU A 49 1.599 -2.763 0.305 1.00 62.14 H new ATOM 0 HD23 LEU A 49 1.456 -3.239 -1.404 1.00 62.14 H new ATOM 685 N VAL A 50 -2.877 -1.645 -3.368 1.00 34.40 N ATOM 686 CA VAL A 50 -3.226 -1.007 -4.605 1.00 60.11 C ATOM 687 C VAL A 50 -3.720 0.394 -4.336 1.00 61.55 C ATOM 688 O VAL A 50 -4.485 0.615 -3.390 1.00 53.32 O ATOM 689 CB VAL A 50 -4.307 -1.843 -5.401 1.00 54.30 C ATOM 690 CG1 VAL A 50 -5.575 -2.074 -4.583 1.00 75.20 C ATOM 691 CG2 VAL A 50 -4.651 -1.193 -6.743 1.00 42.42 C ATOM 0 H VAL A 50 -3.670 -1.823 -2.752 1.00 34.40 H new ATOM 0 HA VAL A 50 -2.334 -0.954 -5.229 1.00 60.11 H new ATOM 0 HB VAL A 50 -3.856 -2.816 -5.598 1.00 54.30 H new ATOM 0 HG11 VAL A 50 -6.287 -2.652 -5.171 1.00 75.20 H new ATOM 0 HG12 VAL A 50 -5.327 -2.621 -3.674 1.00 75.20 H new ATOM 0 HG13 VAL A 50 -6.018 -1.114 -4.319 1.00 75.20 H new ATOM 0 HG21 VAL A 50 -5.397 -1.797 -7.259 1.00 42.42 H new ATOM 0 HG22 VAL A 50 -5.050 -0.193 -6.571 1.00 42.42 H new ATOM 0 HG23 VAL A 50 -3.752 -1.125 -7.355 1.00 42.42 H new ATOM 701 N VAL A 51 -3.260 1.343 -5.114 1.00 33.24 N ATOM 702 CA VAL A 51 -3.756 2.675 -4.997 1.00 50.23 C ATOM 703 C VAL A 51 -5.109 2.645 -5.628 1.00 3.24 C ATOM 704 O VAL A 51 -5.239 2.367 -6.832 1.00 42.43 O ATOM 705 CB VAL A 51 -2.854 3.690 -5.726 1.00 33.51 C ATOM 706 CG1 VAL A 51 -3.282 5.119 -5.405 1.00 44.54 C ATOM 707 CG2 VAL A 51 -1.383 3.468 -5.377 1.00 31.04 C ATOM 0 H VAL A 51 -2.546 1.210 -5.830 1.00 33.24 H new ATOM 0 HA VAL A 51 -3.785 2.990 -3.954 1.00 50.23 H new ATOM 0 HB VAL A 51 -2.968 3.534 -6.799 1.00 33.51 H new ATOM 0 HG11 VAL A 51 -2.633 5.820 -5.929 1.00 44.54 H new ATOM 0 HG12 VAL A 51 -4.313 5.271 -5.725 1.00 44.54 H new ATOM 0 HG13 VAL A 51 -3.207 5.289 -4.331 1.00 44.54 H new ATOM 0 HG21 VAL A 51 -0.770 4.198 -5.905 1.00 31.04 H new ATOM 0 HG22 VAL A 51 -1.242 3.585 -4.303 1.00 31.04 H new ATOM 0 HG23 VAL A 51 -1.086 2.462 -5.674 1.00 31.04 H new ATOM 717 N LYS A 52 -6.104 2.929 -4.842 1.00 51.03 N ATOM 718 CA LYS A 52 -7.452 2.771 -5.282 1.00 60.52 C ATOM 719 C LYS A 52 -7.815 4.005 -6.069 1.00 51.14 C ATOM 720 O LYS A 52 -8.462 3.931 -7.117 1.00 73.42 O ATOM 721 CB LYS A 52 -8.375 2.609 -4.055 1.00 14.30 C ATOM 722 CG LYS A 52 -9.570 1.678 -4.262 1.00 31.12 C ATOM 723 CD LYS A 52 -10.415 2.098 -5.432 1.00 61.02 C ATOM 724 CE LYS A 52 -11.555 1.144 -5.680 1.00 12.43 C ATOM 725 NZ LYS A 52 -12.302 1.513 -6.897 1.00 51.25 N ATOM 0 H LYS A 52 -6.003 3.273 -3.887 1.00 51.03 H new ATOM 0 HA LYS A 52 -7.566 1.885 -5.907 1.00 60.52 H new ATOM 0 HB2 LYS A 52 -7.782 2.234 -3.221 1.00 14.30 H new ATOM 0 HB3 LYS A 52 -8.746 3.592 -3.766 1.00 14.30 H new ATOM 0 HG2 LYS A 52 -9.214 0.660 -4.419 1.00 31.12 H new ATOM 0 HG3 LYS A 52 -10.181 1.666 -3.359 1.00 31.12 H new ATOM 0 HD2 LYS A 52 -10.812 3.097 -5.252 1.00 61.02 H new ATOM 0 HD3 LYS A 52 -9.793 2.158 -6.325 1.00 61.02 H new ATOM 0 HE2 LYS A 52 -11.169 0.130 -5.780 1.00 12.43 H new ATOM 0 HE3 LYS A 52 -12.228 1.146 -4.822 1.00 12.43 H new ATOM 0 HZ1 LYS A 52 -13.081 0.840 -7.044 1.00 51.25 H new ATOM 0 HZ2 LYS A 52 -12.689 2.472 -6.789 1.00 51.25 H new ATOM 0 HZ3 LYS A 52 -11.663 1.488 -7.717 1.00 51.25 H new ATOM 739 N ARG A 53 -7.357 5.120 -5.581 1.00 64.44 N ATOM 740 CA ARG A 53 -7.563 6.369 -6.236 1.00 52.24 C ATOM 741 C ARG A 53 -6.548 7.329 -5.695 1.00 12.41 C ATOM 742 O ARG A 53 -6.179 7.233 -4.525 1.00 33.14 O ATOM 743 CB ARG A 53 -8.992 6.903 -6.053 1.00 73.15 C ATOM 744 CG ARG A 53 -9.330 7.971 -7.074 1.00 42.31 C ATOM 745 CD ARG A 53 -10.741 8.493 -6.939 1.00 43.14 C ATOM 746 NE ARG A 53 -11.052 9.401 -8.046 1.00 71.20 N ATOM 747 CZ ARG A 53 -11.896 10.424 -8.012 1.00 72.01 C ATOM 748 NH1 ARG A 53 -12.604 10.678 -6.923 1.00 41.21 N ATOM 749 NH2 ARG A 53 -12.057 11.172 -9.093 1.00 63.01 N ATOM 0 H ARG A 53 -6.827 5.184 -4.712 1.00 64.44 H new ATOM 0 HA ARG A 53 -7.439 6.241 -7.311 1.00 52.24 H new ATOM 0 HB2 ARG A 53 -9.701 6.080 -6.140 1.00 73.15 H new ATOM 0 HB3 ARG A 53 -9.101 7.313 -5.049 1.00 73.15 H new ATOM 0 HG2 ARG A 53 -8.630 8.800 -6.969 1.00 42.31 H new ATOM 0 HG3 ARG A 53 -9.194 7.564 -8.076 1.00 42.31 H new ATOM 0 HD2 ARG A 53 -11.445 7.661 -6.932 1.00 43.14 H new ATOM 0 HD3 ARG A 53 -10.854 9.014 -5.988 1.00 43.14 H new ATOM 0 HE ARG A 53 -10.572 9.230 -8.930 1.00 71.20 H new ATOM 0 HH11 ARG A 53 -12.503 10.085 -6.099 1.00 41.21 H new ATOM 0 HH12 ARG A 53 -13.250 11.467 -6.907 1.00 41.21 H new ATOM 0 HH21 ARG A 53 -11.534 10.960 -9.943 1.00 63.01 H new ATOM 0 HH22 ARG A 53 -12.704 11.961 -9.076 1.00 63.01 H new ATOM 763 N GLY A 54 -6.067 8.187 -6.533 1.00 24.31 N ATOM 764 CA GLY A 54 -5.059 9.122 -6.167 1.00 21.21 C ATOM 765 C GLY A 54 -4.140 9.302 -7.330 1.00 22.05 C ATOM 766 O GLY A 54 -4.474 8.848 -8.421 1.00 31.14 O ATOM 0 H GLY A 54 -6.369 8.258 -7.505 1.00 24.31 H new ATOM 0 HA2 GLY A 54 -5.509 10.075 -5.888 1.00 21.21 H new ATOM 0 HA3 GLY A 54 -4.506 8.764 -5.299 1.00 21.21 H new ATOM 770 N PRO A 55 -2.986 9.931 -7.164 1.00 11.13 N ATOM 771 CA PRO A 55 -2.038 10.140 -8.267 1.00 2.11 C ATOM 772 C PRO A 55 -1.541 8.818 -8.861 1.00 20.31 C ATOM 773 O PRO A 55 -1.588 8.617 -10.069 1.00 43.24 O ATOM 774 CB PRO A 55 -0.890 10.898 -7.607 1.00 54.23 C ATOM 775 CG PRO A 55 -1.504 11.527 -6.406 1.00 35.12 C ATOM 776 CD PRO A 55 -2.507 10.538 -5.915 1.00 73.50 C ATOM 0 HA PRO A 55 -2.491 10.674 -9.102 1.00 2.11 H new ATOM 0 HB2 PRO A 55 -0.077 10.227 -7.332 1.00 54.23 H new ATOM 0 HB3 PRO A 55 -0.471 11.648 -8.278 1.00 54.23 H new ATOM 0 HG2 PRO A 55 -0.753 11.737 -5.644 1.00 35.12 H new ATOM 0 HG3 PRO A 55 -1.977 12.476 -6.657 1.00 35.12 H new ATOM 0 HD2 PRO A 55 -2.058 9.800 -5.250 1.00 73.50 H new ATOM 0 HD3 PRO A 55 -3.314 11.018 -5.361 1.00 73.50 H new ATOM 784 N ASN A 56 -1.137 7.898 -8.004 1.00 3.13 N ATOM 785 CA ASN A 56 -0.587 6.612 -8.443 1.00 12.04 C ATOM 786 C ASN A 56 -1.695 5.556 -8.595 1.00 35.52 C ATOM 787 O ASN A 56 -1.421 4.356 -8.583 1.00 72.55 O ATOM 788 CB ASN A 56 0.443 6.120 -7.414 1.00 53.34 C ATOM 789 CG ASN A 56 1.560 7.107 -7.158 1.00 51.52 C ATOM 790 OD1 ASN A 56 1.448 7.967 -6.284 1.00 31.45 O ATOM 791 ND2 ASN A 56 2.631 7.002 -7.892 1.00 52.31 N ATOM 0 H ASN A 56 -1.177 8.012 -6.991 1.00 3.13 H new ATOM 0 HA ASN A 56 -0.113 6.756 -9.414 1.00 12.04 H new ATOM 0 HB2 ASN A 56 -0.067 5.909 -6.474 1.00 53.34 H new ATOM 0 HB3 ASN A 56 0.872 5.180 -7.762 1.00 53.34 H new ATOM 0 HD21 ASN A 56 3.411 7.644 -7.751 1.00 52.31 H new ATOM 0 HD22 ASN A 56 2.690 6.277 -8.607 1.00 52.31 H new ATOM 798 N ALA A 57 -2.939 6.015 -8.769 1.00 41.41 N ATOM 799 CA ALA A 57 -4.117 5.128 -8.851 1.00 41.04 C ATOM 800 C ALA A 57 -3.973 4.062 -9.915 1.00 40.41 C ATOM 801 O ALA A 57 -3.539 4.335 -11.047 1.00 72.41 O ATOM 802 CB ALA A 57 -5.376 5.923 -9.099 1.00 0.12 C ATOM 0 H ALA A 57 -3.163 7.006 -8.857 1.00 41.41 H new ATOM 0 HA ALA A 57 -4.187 4.626 -7.886 1.00 41.04 H new ATOM 0 HB1 ALA A 57 -6.229 5.246 -9.155 1.00 0.12 H new ATOM 0 HB2 ALA A 57 -5.527 6.630 -8.283 1.00 0.12 H new ATOM 0 HB3 ALA A 57 -5.283 6.468 -10.038 1.00 0.12 H new ATOM 808 N GLY A 58 -4.312 2.853 -9.543 1.00 34.20 N ATOM 809 CA GLY A 58 -4.240 1.749 -10.450 1.00 2.41 C ATOM 810 C GLY A 58 -3.007 0.917 -10.222 1.00 73.34 C ATOM 811 O GLY A 58 -2.997 -0.284 -10.506 1.00 63.34 O ATOM 0 H GLY A 58 -4.643 2.613 -8.608 1.00 34.20 H new ATOM 0 HA2 GLY A 58 -5.126 1.125 -10.334 1.00 2.41 H new ATOM 0 HA3 GLY A 58 -4.244 2.120 -11.475 1.00 2.41 H new ATOM 815 N ALA A 59 -1.966 1.539 -9.703 1.00 51.02 N ATOM 816 CA ALA A 59 -0.722 0.854 -9.449 1.00 73.23 C ATOM 817 C ALA A 59 -0.820 0.056 -8.172 1.00 25.00 C ATOM 818 O ALA A 59 -1.518 0.452 -7.227 1.00 54.41 O ATOM 819 CB ALA A 59 0.438 1.837 -9.379 1.00 14.11 C ATOM 0 H ALA A 59 -1.962 2.527 -9.448 1.00 51.02 H new ATOM 0 HA ALA A 59 -0.531 0.170 -10.276 1.00 73.23 H new ATOM 0 HB1 ALA A 59 1.364 1.294 -9.187 1.00 14.11 H new ATOM 0 HB2 ALA A 59 0.520 2.371 -10.326 1.00 14.11 H new ATOM 0 HB3 ALA A 59 0.262 2.551 -8.574 1.00 14.11 H new ATOM 825 N ARG A 60 -0.160 -1.070 -8.150 1.00 62.52 N ATOM 826 CA ARG A 60 -0.157 -1.925 -6.998 1.00 34.34 C ATOM 827 C ARG A 60 1.151 -2.632 -6.860 1.00 24.43 C ATOM 828 O ARG A 60 1.717 -3.124 -7.842 1.00 5.41 O ATOM 829 CB ARG A 60 -1.333 -2.936 -6.952 1.00 63.23 C ATOM 830 CG ARG A 60 -1.521 -3.874 -8.147 1.00 53.23 C ATOM 831 CD ARG A 60 -2.119 -3.167 -9.353 1.00 33.12 C ATOM 832 NE ARG A 60 -2.438 -4.107 -10.420 1.00 32.42 N ATOM 833 CZ ARG A 60 -3.276 -3.886 -11.438 1.00 21.21 C ATOM 834 NH1 ARG A 60 -3.810 -2.682 -11.638 1.00 43.44 N ATOM 835 NH2 ARG A 60 -3.549 -4.863 -12.272 1.00 61.45 N ATOM 0 H ARG A 60 0.392 -1.420 -8.933 1.00 62.52 H new ATOM 0 HA ARG A 60 -0.302 -1.262 -6.145 1.00 34.34 H new ATOM 0 HB2 ARG A 60 -1.210 -3.551 -6.061 1.00 63.23 H new ATOM 0 HB3 ARG A 60 -2.255 -2.370 -6.824 1.00 63.23 H new ATOM 0 HG2 ARG A 60 -0.558 -4.304 -8.422 1.00 53.23 H new ATOM 0 HG3 ARG A 60 -2.168 -4.702 -7.857 1.00 53.23 H new ATOM 0 HD2 ARG A 60 -3.022 -2.635 -9.053 1.00 33.12 H new ATOM 0 HD3 ARG A 60 -1.417 -2.420 -9.723 1.00 33.12 H new ATOM 0 HE ARG A 60 -1.980 -5.018 -10.387 1.00 32.42 H new ATOM 0 HH11 ARG A 60 -3.581 -1.912 -11.010 1.00 43.44 H new ATOM 0 HH12 ARG A 60 -4.448 -2.530 -12.420 1.00 43.44 H new ATOM 0 HH21 ARG A 60 -3.123 -5.780 -12.140 1.00 61.45 H new ATOM 0 HH22 ARG A 60 -4.187 -4.705 -13.052 1.00 61.45 H new ATOM 849 N PHE A 61 1.627 -2.667 -5.660 1.00 4.33 N ATOM 850 CA PHE A 61 2.870 -3.304 -5.333 1.00 71.00 C ATOM 851 C PHE A 61 2.575 -4.362 -4.305 1.00 73.41 C ATOM 852 O PHE A 61 1.664 -4.189 -3.485 1.00 24.13 O ATOM 853 CB PHE A 61 3.873 -2.289 -4.764 1.00 61.53 C ATOM 854 CG PHE A 61 4.164 -1.120 -5.671 1.00 42.35 C ATOM 855 CD1 PHE A 61 5.027 -1.254 -6.748 1.00 61.52 C ATOM 856 CD2 PHE A 61 3.568 0.115 -5.443 1.00 4.10 C ATOM 857 CE1 PHE A 61 5.289 -0.181 -7.580 1.00 1.14 C ATOM 858 CE2 PHE A 61 3.830 1.191 -6.272 1.00 64.34 C ATOM 859 CZ PHE A 61 4.691 1.041 -7.342 1.00 63.11 C ATOM 0 H PHE A 61 1.157 -2.246 -4.859 1.00 4.33 H new ATOM 0 HA PHE A 61 3.314 -3.739 -6.228 1.00 71.00 H new ATOM 0 HB2 PHE A 61 3.489 -1.911 -3.817 1.00 61.53 H new ATOM 0 HB3 PHE A 61 4.808 -2.805 -4.546 1.00 61.53 H new ATOM 0 HD1 PHE A 61 5.499 -2.206 -6.939 1.00 61.52 H new ATOM 0 HD2 PHE A 61 2.893 0.236 -4.609 1.00 4.10 H new ATOM 0 HE1 PHE A 61 5.962 -0.299 -8.417 1.00 1.14 H new ATOM 0 HE2 PHE A 61 3.363 2.146 -6.083 1.00 64.34 H new ATOM 0 HZ PHE A 61 4.896 1.879 -7.992 1.00 63.11 H new ATOM 869 N LEU A 62 3.280 -5.448 -4.359 1.00 74.04 N ATOM 870 CA LEU A 62 3.066 -6.523 -3.428 1.00 40.05 C ATOM 871 C LEU A 62 4.224 -6.643 -2.485 1.00 43.15 C ATOM 872 O LEU A 62 5.372 -6.356 -2.856 1.00 13.41 O ATOM 873 CB LEU A 62 2.775 -7.886 -4.098 1.00 42.33 C ATOM 874 CG LEU A 62 3.841 -8.474 -5.033 1.00 41.02 C ATOM 875 CD1 LEU A 62 3.660 -9.977 -5.108 1.00 62.42 C ATOM 876 CD2 LEU A 62 3.707 -7.889 -6.436 1.00 74.02 C ATOM 0 H LEU A 62 4.017 -5.619 -5.043 1.00 74.04 H new ATOM 0 HA LEU A 62 2.165 -6.260 -2.874 1.00 40.05 H new ATOM 0 HB2 LEU A 62 2.587 -8.613 -3.308 1.00 42.33 H new ATOM 0 HB3 LEU A 62 1.850 -7.787 -4.667 1.00 42.33 H new ATOM 0 HG LEU A 62 4.827 -8.228 -4.639 1.00 41.02 H new ATOM 0 HD11 LEU A 62 4.414 -10.402 -5.771 1.00 62.42 H new ATOM 0 HD12 LEU A 62 3.769 -10.407 -4.112 1.00 62.42 H new ATOM 0 HD13 LEU A 62 2.667 -10.205 -5.495 1.00 62.42 H new ATOM 0 HD21 LEU A 62 4.471 -8.318 -7.084 1.00 74.02 H new ATOM 0 HD22 LEU A 62 2.720 -8.123 -6.835 1.00 74.02 H new ATOM 0 HD23 LEU A 62 3.834 -6.807 -6.393 1.00 74.02 H new ATOM 888 N LEU A 63 3.940 -7.012 -1.259 1.00 14.21 N ATOM 889 CA LEU A 63 4.992 -7.228 -0.309 1.00 25.34 C ATOM 890 C LEU A 63 5.650 -8.544 -0.665 1.00 32.24 C ATOM 891 O LEU A 63 5.108 -9.624 -0.421 1.00 32.24 O ATOM 892 CB LEU A 63 4.481 -7.242 1.155 1.00 44.03 C ATOM 893 CG LEU A 63 3.859 -5.938 1.727 1.00 71.25 C ATOM 894 CD1 LEU A 63 4.769 -4.742 1.522 1.00 0.14 C ATOM 895 CD2 LEU A 63 2.464 -5.670 1.178 1.00 34.24 C ATOM 0 H LEU A 63 2.997 -7.167 -0.903 1.00 14.21 H new ATOM 0 HA LEU A 63 5.704 -6.404 -0.361 1.00 25.34 H new ATOM 0 HB2 LEU A 63 3.735 -8.032 1.240 1.00 44.03 H new ATOM 0 HB3 LEU A 63 5.316 -7.522 1.797 1.00 44.03 H new ATOM 0 HG LEU A 63 3.754 -6.094 2.801 1.00 71.25 H new ATOM 0 HD11 LEU A 63 4.297 -3.851 1.936 1.00 0.14 H new ATOM 0 HD12 LEU A 63 5.719 -4.917 2.026 1.00 0.14 H new ATOM 0 HD13 LEU A 63 4.945 -4.597 0.456 1.00 0.14 H new ATOM 0 HD21 LEU A 63 2.074 -4.748 1.609 1.00 34.24 H new ATOM 0 HD22 LEU A 63 2.512 -5.572 0.094 1.00 34.24 H new ATOM 0 HD23 LEU A 63 1.805 -6.499 1.438 1.00 34.24 H new ATOM 907 N ASP A 64 6.791 -8.428 -1.269 1.00 60.24 N ATOM 908 CA ASP A 64 7.555 -9.549 -1.795 1.00 44.33 C ATOM 909 C ASP A 64 8.928 -9.496 -1.141 1.00 31.34 C ATOM 910 O ASP A 64 9.849 -10.245 -1.464 1.00 24.05 O ATOM 911 CB ASP A 64 7.663 -9.325 -3.318 1.00 31.42 C ATOM 912 CG ASP A 64 8.255 -10.458 -4.131 1.00 20.35 C ATOM 913 OD1 ASP A 64 9.495 -10.545 -4.275 1.00 12.41 O ATOM 914 OD2 ASP A 64 7.480 -11.234 -4.726 1.00 23.42 O ATOM 0 H ASP A 64 7.243 -7.527 -1.422 1.00 60.24 H new ATOM 0 HA ASP A 64 7.099 -10.519 -1.595 1.00 44.33 H new ATOM 0 HB2 ASP A 64 6.665 -9.115 -3.703 1.00 31.42 H new ATOM 0 HB3 ASP A 64 8.265 -8.432 -3.489 1.00 31.42 H new ATOM 919 N GLN A 65 9.020 -8.601 -0.197 1.00 41.22 N ATOM 920 CA GLN A 65 10.205 -8.307 0.526 1.00 22.55 C ATOM 921 C GLN A 65 9.828 -8.162 1.989 1.00 44.30 C ATOM 922 O GLN A 65 8.720 -7.719 2.286 1.00 74.44 O ATOM 923 CB GLN A 65 10.876 -7.003 0.002 1.00 0.23 C ATOM 924 CG GLN A 65 9.977 -5.752 -0.017 1.00 41.31 C ATOM 925 CD GLN A 65 8.874 -5.779 -1.079 1.00 73.52 C ATOM 926 OE1 GLN A 65 9.027 -6.356 -2.151 1.00 22.25 O ATOM 927 NE2 GLN A 65 7.757 -5.201 -0.777 1.00 42.42 N ATOM 0 H GLN A 65 8.225 -8.034 0.096 1.00 41.22 H new ATOM 0 HA GLN A 65 10.929 -9.112 0.395 1.00 22.55 H new ATOM 0 HB2 GLN A 65 11.749 -6.792 0.620 1.00 0.23 H new ATOM 0 HB3 GLN A 65 11.238 -7.184 -1.010 1.00 0.23 H new ATOM 0 HG2 GLN A 65 9.517 -5.636 0.964 1.00 41.31 H new ATOM 0 HG3 GLN A 65 10.601 -4.874 -0.182 1.00 41.31 H new ATOM 0 HE21 GLN A 65 7.654 -4.728 0.121 1.00 42.42 H new ATOM 0 HE22 GLN A 65 6.979 -5.219 -1.436 1.00 42.42 H new ATOM 936 N PRO A 66 10.707 -8.560 2.917 1.00 35.52 N ATOM 937 CA PRO A 66 10.427 -8.498 4.358 1.00 52.22 C ATOM 938 C PRO A 66 10.424 -7.071 4.949 1.00 21.34 C ATOM 939 O PRO A 66 9.974 -6.858 6.079 1.00 41.02 O ATOM 940 CB PRO A 66 11.564 -9.318 4.985 1.00 74.32 C ATOM 941 CG PRO A 66 12.220 -10.027 3.853 1.00 23.14 C ATOM 942 CD PRO A 66 12.026 -9.157 2.662 1.00 63.52 C ATOM 0 HA PRO A 66 9.424 -8.873 4.563 1.00 52.22 H new ATOM 0 HB2 PRO A 66 12.271 -8.672 5.505 1.00 74.32 H new ATOM 0 HB3 PRO A 66 11.178 -10.025 5.719 1.00 74.32 H new ATOM 0 HG2 PRO A 66 13.280 -10.186 4.053 1.00 23.14 H new ATOM 0 HG3 PRO A 66 11.775 -11.009 3.696 1.00 23.14 H new ATOM 0 HD2 PRO A 66 12.806 -8.400 2.581 1.00 63.52 H new ATOM 0 HD3 PRO A 66 12.040 -9.729 1.734 1.00 63.52 H new ATOM 950 N THR A 67 10.936 -6.107 4.229 1.00 73.12 N ATOM 951 CA THR A 67 11.012 -4.752 4.749 1.00 51.11 C ATOM 952 C THR A 67 10.672 -3.756 3.633 1.00 72.34 C ATOM 953 O THR A 67 11.314 -3.737 2.598 1.00 53.13 O ATOM 954 CB THR A 67 12.447 -4.496 5.269 1.00 52.41 C ATOM 955 OG1 THR A 67 12.822 -5.574 6.151 1.00 71.23 O ATOM 956 CG2 THR A 67 12.535 -3.183 6.033 1.00 30.33 C ATOM 0 H THR A 67 11.306 -6.226 3.286 1.00 73.12 H new ATOM 0 HA THR A 67 10.301 -4.624 5.565 1.00 51.11 H new ATOM 0 HB THR A 67 13.119 -4.441 4.412 1.00 52.41 H new ATOM 0 HG1 THR A 67 13.731 -5.422 6.485 1.00 71.23 H new ATOM 0 HG21 THR A 67 13.556 -3.034 6.384 1.00 30.33 H new ATOM 0 HG22 THR A 67 12.254 -2.360 5.376 1.00 30.33 H new ATOM 0 HG23 THR A 67 11.858 -3.213 6.887 1.00 30.33 H new ATOM 964 N THR A 68 9.677 -2.952 3.864 1.00 23.21 N ATOM 965 CA THR A 68 9.178 -2.006 2.899 1.00 54.22 C ATOM 966 C THR A 68 9.026 -0.605 3.519 1.00 55.24 C ATOM 967 O THR A 68 8.617 -0.463 4.668 1.00 22.15 O ATOM 968 CB THR A 68 7.814 -2.528 2.365 1.00 33.35 C ATOM 969 OG1 THR A 68 8.025 -3.593 1.448 1.00 34.30 O ATOM 970 CG2 THR A 68 6.962 -1.448 1.728 1.00 23.51 C ATOM 0 H THR A 68 9.174 -2.932 4.751 1.00 23.21 H new ATOM 0 HA THR A 68 9.888 -1.913 2.077 1.00 54.22 H new ATOM 0 HB THR A 68 7.258 -2.886 3.231 1.00 33.35 H new ATOM 0 HG1 THR A 68 8.504 -3.257 0.661 1.00 34.30 H new ATOM 0 HG21 THR A 68 6.026 -1.882 1.378 1.00 23.51 H new ATOM 0 HG22 THR A 68 6.749 -0.672 2.463 1.00 23.51 H new ATOM 0 HG23 THR A 68 7.498 -1.012 0.885 1.00 23.51 H new ATOM 978 N THR A 69 9.389 0.411 2.784 1.00 44.02 N ATOM 979 CA THR A 69 9.205 1.769 3.222 1.00 21.20 C ATOM 980 C THR A 69 8.329 2.493 2.183 1.00 73.32 C ATOM 981 O THR A 69 8.474 2.251 0.982 1.00 50.53 O ATOM 982 CB THR A 69 10.570 2.479 3.356 1.00 60.43 C ATOM 983 OG1 THR A 69 11.459 1.646 4.121 1.00 32.43 O ATOM 984 CG2 THR A 69 10.414 3.821 4.069 1.00 53.13 C ATOM 0 H THR A 69 9.821 0.321 1.864 1.00 44.02 H new ATOM 0 HA THR A 69 8.721 1.784 4.198 1.00 21.20 H new ATOM 0 HB THR A 69 10.973 2.654 2.358 1.00 60.43 H new ATOM 0 HG1 THR A 69 12.328 2.090 4.209 1.00 32.43 H new ATOM 0 HG21 THR A 69 11.388 4.304 4.153 1.00 53.13 H new ATOM 0 HG22 THR A 69 9.740 4.460 3.499 1.00 53.13 H new ATOM 0 HG23 THR A 69 10.003 3.658 5.065 1.00 53.13 H new ATOM 992 N ALA A 70 7.414 3.328 2.632 1.00 14.15 N ATOM 993 CA ALA A 70 6.536 4.038 1.734 1.00 2.32 C ATOM 994 C ALA A 70 6.742 5.530 1.883 1.00 12.31 C ATOM 995 O ALA A 70 6.815 6.066 3.025 1.00 23.13 O ATOM 996 CB ALA A 70 5.083 3.673 2.012 1.00 71.24 C ATOM 0 H ALA A 70 7.261 3.530 3.620 1.00 14.15 H new ATOM 0 HA ALA A 70 6.773 3.750 0.710 1.00 2.32 H new ATOM 0 HB1 ALA A 70 4.434 4.217 1.326 1.00 71.24 H new ATOM 0 HB2 ALA A 70 4.944 2.601 1.871 1.00 71.24 H new ATOM 0 HB3 ALA A 70 4.831 3.939 3.038 1.00 71.24 H new ATOM 1002 N GLY A 71 6.822 6.195 0.767 1.00 43.24 N ATOM 1003 CA GLY A 71 7.039 7.595 0.758 1.00 51.04 C ATOM 1004 C GLY A 71 7.219 8.105 -0.641 1.00 62.13 C ATOM 1005 O GLY A 71 6.778 7.465 -1.612 1.00 15.12 O ATOM 0 H GLY A 71 6.737 5.773 -0.158 1.00 43.24 H new ATOM 0 HA2 GLY A 71 6.194 8.100 1.226 1.00 51.04 H new ATOM 0 HA3 GLY A 71 7.922 7.833 1.351 1.00 51.04 H new ATOM 1009 N ARG A 72 7.880 9.219 -0.749 1.00 0.44 N ATOM 1010 CA ARG A 72 8.109 9.871 -2.007 1.00 74.32 C ATOM 1011 C ARG A 72 9.398 9.338 -2.624 1.00 51.21 C ATOM 1012 O ARG A 72 10.293 8.892 -1.893 1.00 62.13 O ATOM 1013 CB ARG A 72 8.203 11.382 -1.795 1.00 11.33 C ATOM 1014 CG ARG A 72 8.148 12.205 -3.068 1.00 75.21 C ATOM 1015 CD ARG A 72 8.324 13.684 -2.780 1.00 13.25 C ATOM 1016 NE ARG A 72 9.679 14.000 -2.314 1.00 3.42 N ATOM 1017 CZ ARG A 72 9.985 14.638 -1.178 1.00 72.44 C ATOM 1018 NH1 ARG A 72 9.050 14.905 -0.271 1.00 33.25 N ATOM 1019 NH2 ARG A 72 11.227 14.980 -0.948 1.00 63.40 N ATOM 0 H ARG A 72 8.283 9.710 0.049 1.00 0.44 H new ATOM 0 HA ARG A 72 7.280 9.666 -2.685 1.00 74.32 H new ATOM 0 HB2 ARG A 72 7.389 11.695 -1.141 1.00 11.33 H new ATOM 0 HB3 ARG A 72 9.134 11.605 -1.274 1.00 11.33 H new ATOM 0 HG2 ARG A 72 8.928 11.871 -3.753 1.00 75.21 H new ATOM 0 HG3 ARG A 72 7.193 12.041 -3.568 1.00 75.21 H new ATOM 0 HD2 ARG A 72 8.109 14.256 -3.682 1.00 13.25 H new ATOM 0 HD3 ARG A 72 7.601 13.994 -2.026 1.00 13.25 H new ATOM 0 HE ARG A 72 10.455 13.708 -2.908 1.00 3.42 H new ATOM 0 HH11 ARG A 72 8.084 14.623 -0.436 1.00 33.25 H new ATOM 0 HH12 ARG A 72 9.299 15.392 0.590 1.00 33.25 H new ATOM 0 HH21 ARG A 72 11.951 14.760 -1.631 1.00 63.40 H new ATOM 0 HH22 ARG A 72 11.471 15.467 -0.085 1.00 63.40 H new ATOM 1033 N HIS A 73 9.449 9.345 -3.964 1.00 5.24 N ATOM 1034 CA HIS A 73 10.605 8.909 -4.782 1.00 24.43 C ATOM 1035 C HIS A 73 10.627 7.388 -4.937 1.00 52.31 C ATOM 1036 O HIS A 73 10.174 6.668 -4.055 1.00 54.21 O ATOM 1037 CB HIS A 73 11.984 9.418 -4.245 1.00 13.21 C ATOM 1038 CG HIS A 73 12.122 10.911 -4.110 1.00 25.24 C ATOM 1039 ND1 HIS A 73 13.033 11.517 -3.274 1.00 2.00 N ATOM 1040 CD2 HIS A 73 11.455 11.917 -4.722 1.00 51.51 C ATOM 1041 CE1 HIS A 73 12.903 12.828 -3.388 1.00 64.12 C ATOM 1042 NE2 HIS A 73 11.948 13.138 -4.260 1.00 11.02 N ATOM 0 H HIS A 73 8.664 9.664 -4.533 1.00 5.24 H new ATOM 0 HA HIS A 73 10.463 9.371 -5.759 1.00 24.43 H new ATOM 0 HB2 HIS A 73 12.162 8.966 -3.270 1.00 13.21 H new ATOM 0 HB3 HIS A 73 12.768 9.058 -4.912 1.00 13.21 H new ATOM 0 HD2 HIS A 73 10.668 11.795 -5.451 1.00 51.51 H new ATOM 0 HE1 HIS A 73 13.494 13.551 -2.845 1.00 64.12 H new ATOM 0 HE2 HIS A 73 11.641 14.071 -4.533 1.00 11.02 H new ATOM 1050 N PRO A 74 11.166 6.860 -6.071 1.00 64.42 N ATOM 1051 CA PRO A 74 11.274 5.399 -6.312 1.00 44.40 C ATOM 1052 C PRO A 74 12.335 4.769 -5.417 1.00 60.33 C ATOM 1053 O PRO A 74 12.637 3.580 -5.511 1.00 70.22 O ATOM 1054 CB PRO A 74 11.709 5.298 -7.780 1.00 50.22 C ATOM 1055 CG PRO A 74 11.500 6.656 -8.347 1.00 22.45 C ATOM 1056 CD PRO A 74 11.691 7.616 -7.220 1.00 54.40 C ATOM 0 HA PRO A 74 10.340 4.879 -6.099 1.00 44.40 H new ATOM 0 HB2 PRO A 74 12.753 4.995 -7.861 1.00 50.22 H new ATOM 0 HB3 PRO A 74 11.119 4.554 -8.315 1.00 50.22 H new ATOM 0 HG2 PRO A 74 12.209 6.855 -9.151 1.00 22.45 H new ATOM 0 HG3 PRO A 74 10.501 6.750 -8.772 1.00 22.45 H new ATOM 0 HD2 PRO A 74 12.739 7.883 -7.086 1.00 54.40 H new ATOM 0 HD3 PRO A 74 11.144 8.545 -7.380 1.00 54.40 H new ATOM 1064 N GLU A 75 12.933 5.605 -4.604 1.00 51.32 N ATOM 1065 CA GLU A 75 13.881 5.235 -3.623 1.00 23.43 C ATOM 1066 C GLU A 75 13.129 4.552 -2.483 1.00 72.13 C ATOM 1067 O GLU A 75 13.668 3.710 -1.769 1.00 22.32 O ATOM 1068 CB GLU A 75 14.553 6.507 -3.168 1.00 3.01 C ATOM 1069 CG GLU A 75 15.688 6.325 -2.227 1.00 73.02 C ATOM 1070 CD GLU A 75 16.378 7.625 -1.965 1.00 23.44 C ATOM 1071 OE1 GLU A 75 17.319 7.961 -2.707 1.00 52.43 O ATOM 1072 OE2 GLU A 75 15.970 8.354 -1.063 1.00 74.53 O ATOM 0 H GLU A 75 12.751 6.609 -4.623 1.00 51.32 H new ATOM 0 HA GLU A 75 14.636 4.543 -3.996 1.00 23.43 H new ATOM 0 HB2 GLU A 75 14.913 7.042 -4.047 1.00 3.01 H new ATOM 0 HB3 GLU A 75 13.806 7.142 -2.692 1.00 3.01 H new ATOM 0 HG2 GLU A 75 15.324 5.906 -1.289 1.00 73.02 H new ATOM 0 HG3 GLU A 75 16.398 5.609 -2.641 1.00 73.02 H new ATOM 1079 N SER A 76 11.869 4.918 -2.353 1.00 22.13 N ATOM 1080 CA SER A 76 10.985 4.298 -1.433 1.00 40.02 C ATOM 1081 C SER A 76 10.391 3.071 -2.119 1.00 73.44 C ATOM 1082 O SER A 76 10.047 3.129 -3.314 1.00 3.20 O ATOM 1083 CB SER A 76 9.891 5.284 -1.028 1.00 34.54 C ATOM 1084 OG SER A 76 10.462 6.454 -0.452 1.00 30.14 O ATOM 0 H SER A 76 11.441 5.666 -2.899 1.00 22.13 H new ATOM 0 HA SER A 76 11.510 3.995 -0.527 1.00 40.02 H new ATOM 0 HB2 SER A 76 9.296 5.554 -1.900 1.00 34.54 H new ATOM 0 HB3 SER A 76 9.215 4.813 -0.314 1.00 34.54 H new ATOM 0 HG SER A 76 10.345 7.210 -1.064 1.00 30.14 H new ATOM 1090 N ASP A 77 10.326 1.968 -1.382 1.00 51.03 N ATOM 1091 CA ASP A 77 9.817 0.669 -1.868 1.00 2.52 C ATOM 1092 C ASP A 77 8.419 0.845 -2.436 1.00 64.11 C ATOM 1093 O ASP A 77 8.115 0.407 -3.547 1.00 74.15 O ATOM 1094 CB ASP A 77 9.822 -0.329 -0.701 1.00 53.14 C ATOM 1095 CG ASP A 77 9.632 -1.770 -1.108 1.00 44.21 C ATOM 1096 OD1 ASP A 77 10.602 -2.372 -1.636 1.00 2.12 O ATOM 1097 OD2 ASP A 77 8.567 -2.330 -0.838 1.00 2.10 O ATOM 0 H ASP A 77 10.629 1.940 -0.409 1.00 51.03 H new ATOM 0 HA ASP A 77 10.454 0.285 -2.664 1.00 2.52 H new ATOM 0 HB2 ASP A 77 10.767 -0.238 -0.166 1.00 53.14 H new ATOM 0 HB3 ASP A 77 9.032 -0.055 -0.002 1.00 53.14 H new ATOM 1102 N ILE A 78 7.591 1.546 -1.701 1.00 14.13 N ATOM 1103 CA ILE A 78 6.288 1.909 -2.187 1.00 61.41 C ATOM 1104 C ILE A 78 6.344 3.365 -2.604 1.00 14.35 C ATOM 1105 O ILE A 78 6.482 4.259 -1.756 1.00 1.20 O ATOM 1106 CB ILE A 78 5.167 1.719 -1.124 1.00 21.34 C ATOM 1107 CG1 ILE A 78 5.147 0.280 -0.591 1.00 43.13 C ATOM 1108 CG2 ILE A 78 3.798 2.092 -1.700 1.00 53.52 C ATOM 1109 CD1 ILE A 78 4.955 -0.792 -1.647 1.00 72.02 C ATOM 0 H ILE A 78 7.800 1.877 -0.759 1.00 14.13 H new ATOM 0 HA ILE A 78 6.038 1.254 -3.021 1.00 61.41 H new ATOM 0 HB ILE A 78 5.385 2.388 -0.292 1.00 21.34 H new ATOM 0 HG12 ILE A 78 6.084 0.089 -0.067 1.00 43.13 H new ATOM 0 HG13 ILE A 78 4.347 0.192 0.144 1.00 43.13 H new ATOM 0 HG21 ILE A 78 3.032 1.951 -0.938 1.00 53.52 H new ATOM 0 HG22 ILE A 78 3.808 3.135 -2.015 1.00 53.52 H new ATOM 0 HG23 ILE A 78 3.578 1.456 -2.557 1.00 53.52 H new ATOM 0 HD11 ILE A 78 4.955 -1.774 -1.173 1.00 72.02 H new ATOM 0 HD12 ILE A 78 4.004 -0.635 -2.156 1.00 72.02 H new ATOM 0 HD13 ILE A 78 5.768 -0.739 -2.371 1.00 72.02 H new ATOM 1121 N PHE A 79 6.286 3.590 -3.889 1.00 63.31 N ATOM 1122 CA PHE A 79 6.344 4.919 -4.436 1.00 13.22 C ATOM 1123 C PHE A 79 4.966 5.541 -4.510 1.00 1.14 C ATOM 1124 O PHE A 79 4.081 5.051 -5.210 1.00 64.22 O ATOM 1125 CB PHE A 79 7.007 4.903 -5.821 1.00 31.14 C ATOM 1126 CG PHE A 79 6.904 6.204 -6.576 1.00 0.50 C ATOM 1127 CD1 PHE A 79 7.580 7.325 -6.153 1.00 12.44 C ATOM 1128 CD2 PHE A 79 6.113 6.296 -7.702 1.00 5.15 C ATOM 1129 CE1 PHE A 79 7.474 8.516 -6.839 1.00 61.42 C ATOM 1130 CE2 PHE A 79 5.999 7.479 -8.391 1.00 52.32 C ATOM 1131 CZ PHE A 79 6.681 8.593 -7.961 1.00 15.23 C ATOM 0 H PHE A 79 6.197 2.854 -4.589 1.00 63.31 H new ATOM 0 HA PHE A 79 6.951 5.531 -3.769 1.00 13.22 H new ATOM 0 HB2 PHE A 79 8.060 4.648 -5.703 1.00 31.14 H new ATOM 0 HB3 PHE A 79 6.552 4.113 -6.419 1.00 31.14 H new ATOM 0 HD1 PHE A 79 8.202 7.271 -5.272 1.00 12.44 H new ATOM 0 HD2 PHE A 79 5.575 5.425 -8.047 1.00 5.15 H new ATOM 0 HE1 PHE A 79 8.012 9.387 -6.496 1.00 61.42 H new ATOM 0 HE2 PHE A 79 5.374 7.534 -9.270 1.00 52.32 H new ATOM 0 HZ PHE A 79 6.595 9.524 -8.501 1.00 15.23 H new ATOM 1141 N LEU A 80 4.795 6.588 -3.761 1.00 2.52 N ATOM 1142 CA LEU A 80 3.585 7.361 -3.748 1.00 53.33 C ATOM 1143 C LEU A 80 3.976 8.797 -3.983 1.00 22.21 C ATOM 1144 O LEU A 80 4.875 9.322 -3.314 1.00 42.33 O ATOM 1145 CB LEU A 80 2.890 7.208 -2.394 1.00 65.32 C ATOM 1146 CG LEU A 80 2.476 5.780 -2.018 1.00 55.51 C ATOM 1147 CD1 LEU A 80 1.923 5.740 -0.616 1.00 2.42 C ATOM 1148 CD2 LEU A 80 1.450 5.230 -3.003 1.00 13.11 C ATOM 0 H LEU A 80 5.510 6.939 -3.125 1.00 2.52 H new ATOM 0 HA LEU A 80 2.892 7.024 -4.519 1.00 53.33 H new ATOM 0 HB2 LEU A 80 3.555 7.590 -1.619 1.00 65.32 H new ATOM 0 HB3 LEU A 80 2.000 7.838 -2.389 1.00 65.32 H new ATOM 0 HG LEU A 80 3.365 5.151 -2.063 1.00 55.51 H new ATOM 0 HD11 LEU A 80 1.635 4.719 -0.368 1.00 2.42 H new ATOM 0 HD12 LEU A 80 2.684 6.083 0.085 1.00 2.42 H new ATOM 0 HD13 LEU A 80 1.050 6.389 -0.551 1.00 2.42 H new ATOM 0 HD21 LEU A 80 1.174 4.216 -2.713 1.00 13.11 H new ATOM 0 HD22 LEU A 80 0.563 5.864 -2.996 1.00 13.11 H new ATOM 0 HD23 LEU A 80 1.879 5.216 -4.005 1.00 13.11 H new ATOM 1160 N ASP A 81 3.357 9.423 -4.935 1.00 34.23 N ATOM 1161 CA ASP A 81 3.711 10.778 -5.256 1.00 51.11 C ATOM 1162 C ASP A 81 2.614 11.708 -4.851 1.00 45.10 C ATOM 1163 O ASP A 81 1.491 11.616 -5.332 1.00 45.22 O ATOM 1164 CB ASP A 81 4.033 10.954 -6.742 1.00 50.04 C ATOM 1165 CG ASP A 81 4.532 12.357 -7.059 1.00 1.34 C ATOM 1166 OD1 ASP A 81 5.749 12.617 -6.928 1.00 22.31 O ATOM 1167 OD2 ASP A 81 3.735 13.225 -7.451 1.00 71.02 O ATOM 0 H ASP A 81 2.609 9.025 -5.502 1.00 34.23 H new ATOM 0 HA ASP A 81 4.615 11.019 -4.697 1.00 51.11 H new ATOM 0 HB2 ASP A 81 4.789 10.226 -7.037 1.00 50.04 H new ATOM 0 HB3 ASP A 81 3.141 10.745 -7.333 1.00 50.04 H new ATOM 1172 N ASP A 82 2.943 12.574 -3.960 1.00 32.15 N ATOM 1173 CA ASP A 82 2.051 13.584 -3.442 1.00 74.22 C ATOM 1174 C ASP A 82 2.950 14.728 -3.074 1.00 61.32 C ATOM 1175 O ASP A 82 4.171 14.514 -2.945 1.00 51.35 O ATOM 1176 CB ASP A 82 1.328 13.047 -2.191 1.00 22.23 C ATOM 1177 CG ASP A 82 0.291 13.996 -1.595 1.00 52.02 C ATOM 1178 OD1 ASP A 82 0.674 14.957 -0.888 1.00 3.22 O ATOM 1179 OD2 ASP A 82 -0.930 13.798 -1.825 1.00 35.02 O ATOM 0 H ASP A 82 3.875 12.611 -3.547 1.00 32.15 H new ATOM 0 HA ASP A 82 1.283 13.877 -4.158 1.00 74.22 H new ATOM 0 HB2 ASP A 82 0.836 12.109 -2.447 1.00 22.23 H new ATOM 0 HB3 ASP A 82 2.072 12.819 -1.428 1.00 22.23 H new ATOM 1184 N VAL A 83 2.417 15.903 -2.924 1.00 45.11 N ATOM 1185 CA VAL A 83 3.221 17.058 -2.593 1.00 24.45 C ATOM 1186 C VAL A 83 3.745 16.980 -1.156 1.00 3.35 C ATOM 1187 O VAL A 83 4.920 17.284 -0.899 1.00 11.43 O ATOM 1188 CB VAL A 83 2.432 18.388 -2.801 1.00 52.53 C ATOM 1189 CG1 VAL A 83 3.254 19.599 -2.367 1.00 15.32 C ATOM 1190 CG2 VAL A 83 2.024 18.542 -4.255 1.00 15.42 C ATOM 0 H VAL A 83 1.420 16.096 -3.025 1.00 45.11 H new ATOM 0 HA VAL A 83 4.072 17.055 -3.274 1.00 24.45 H new ATOM 0 HB VAL A 83 1.539 18.339 -2.178 1.00 52.53 H new ATOM 0 HG11 VAL A 83 2.674 20.508 -2.526 1.00 15.32 H new ATOM 0 HG12 VAL A 83 3.505 19.509 -1.310 1.00 15.32 H new ATOM 0 HG13 VAL A 83 4.171 19.646 -2.955 1.00 15.32 H new ATOM 0 HG21 VAL A 83 1.475 19.475 -4.382 1.00 15.42 H new ATOM 0 HG22 VAL A 83 2.915 18.557 -4.883 1.00 15.42 H new ATOM 0 HG23 VAL A 83 1.389 17.705 -4.545 1.00 15.42 H new ATOM 1200 N THR A 84 2.927 16.509 -0.247 1.00 2.11 N ATOM 1201 CA THR A 84 3.289 16.568 1.148 1.00 35.52 C ATOM 1202 C THR A 84 3.802 15.210 1.679 1.00 12.14 C ATOM 1203 O THR A 84 4.031 15.026 2.881 1.00 10.31 O ATOM 1204 CB THR A 84 2.100 17.084 1.974 1.00 41.12 C ATOM 1205 OG1 THR A 84 1.409 18.078 1.188 1.00 75.11 O ATOM 1206 CG2 THR A 84 2.605 17.766 3.245 1.00 15.11 C ATOM 0 H THR A 84 2.019 16.087 -0.443 1.00 2.11 H new ATOM 0 HA THR A 84 4.119 17.267 1.251 1.00 35.52 H new ATOM 0 HB THR A 84 1.448 16.251 2.235 1.00 41.12 H new ATOM 0 HG1 THR A 84 0.644 18.421 1.695 1.00 75.11 H new ATOM 0 HG21 THR A 84 1.756 18.129 3.825 1.00 15.11 H new ATOM 0 HG22 THR A 84 3.172 17.051 3.841 1.00 15.11 H new ATOM 0 HG23 THR A 84 3.247 18.605 2.977 1.00 15.11 H new ATOM 1214 N VAL A 85 3.981 14.259 0.793 1.00 12.42 N ATOM 1215 CA VAL A 85 4.586 13.010 1.189 1.00 33.21 C ATOM 1216 C VAL A 85 6.100 13.165 1.107 1.00 24.41 C ATOM 1217 O VAL A 85 6.647 13.532 0.060 1.00 34.33 O ATOM 1218 CB VAL A 85 4.068 11.793 0.366 1.00 72.33 C ATOM 1219 CG1 VAL A 85 4.849 10.532 0.712 1.00 1.32 C ATOM 1220 CG2 VAL A 85 2.596 11.559 0.677 1.00 11.40 C ATOM 0 H VAL A 85 3.721 14.323 -0.191 1.00 12.42 H new ATOM 0 HA VAL A 85 4.296 12.787 2.216 1.00 33.21 H new ATOM 0 HB VAL A 85 4.202 12.014 -0.693 1.00 72.33 H new ATOM 0 HG11 VAL A 85 4.469 9.696 0.125 1.00 1.32 H new ATOM 0 HG12 VAL A 85 5.904 10.684 0.486 1.00 1.32 H new ATOM 0 HG13 VAL A 85 4.733 10.312 1.773 1.00 1.32 H new ATOM 0 HG21 VAL A 85 2.233 10.707 0.101 1.00 11.40 H new ATOM 0 HG22 VAL A 85 2.477 11.355 1.741 1.00 11.40 H new ATOM 0 HG23 VAL A 85 2.022 12.447 0.412 1.00 11.40 H new ATOM 1230 N SER A 86 6.748 12.959 2.225 1.00 21.41 N ATOM 1231 CA SER A 86 8.166 13.184 2.373 1.00 63.04 C ATOM 1232 C SER A 86 9.016 11.919 2.116 1.00 33.03 C ATOM 1233 O SER A 86 8.541 10.910 1.571 1.00 62.42 O ATOM 1234 CB SER A 86 8.409 13.695 3.797 1.00 23.14 C ATOM 1235 OG SER A 86 7.645 14.857 4.059 1.00 41.31 O ATOM 0 H SER A 86 6.297 12.623 3.076 1.00 21.41 H new ATOM 0 HA SER A 86 8.477 13.912 1.623 1.00 63.04 H new ATOM 0 HB2 SER A 86 8.151 12.917 4.515 1.00 23.14 H new ATOM 0 HB3 SER A 86 9.468 13.914 3.932 1.00 23.14 H new ATOM 0 HG SER A 86 7.817 15.162 4.974 1.00 41.31 H new ATOM 1241 N ARG A 87 10.271 12.017 2.558 1.00 23.31 N ATOM 1242 CA ARG A 87 11.333 10.990 2.492 1.00 34.03 C ATOM 1243 C ARG A 87 10.928 9.642 3.133 1.00 42.32 C ATOM 1244 O ARG A 87 11.550 8.619 2.861 1.00 12.01 O ATOM 1245 CB ARG A 87 12.538 11.550 3.271 1.00 5.40 C ATOM 1246 CG ARG A 87 12.135 12.032 4.676 1.00 12.40 C ATOM 1247 CD ARG A 87 13.286 12.549 5.509 1.00 64.33 C ATOM 1248 NE ARG A 87 12.799 13.128 6.799 1.00 71.44 N ATOM 1249 CZ ARG A 87 13.485 13.138 7.954 1.00 42.33 C ATOM 1250 NH1 ARG A 87 14.723 12.681 8.001 1.00 71.01 N ATOM 1251 NH2 ARG A 87 12.933 13.640 9.049 1.00 51.44 N ATOM 0 H ARG A 87 10.604 12.872 3.004 1.00 23.31 H new ATOM 0 HA ARG A 87 11.548 10.787 1.443 1.00 34.03 H new ATOM 0 HB2 ARG A 87 13.305 10.780 3.357 1.00 5.40 H new ATOM 0 HB3 ARG A 87 12.978 12.378 2.715 1.00 5.40 H new ATOM 0 HG2 ARG A 87 11.390 12.821 4.577 1.00 12.40 H new ATOM 0 HG3 ARG A 87 11.658 11.208 5.207 1.00 12.40 H new ATOM 0 HD2 ARG A 87 13.985 11.738 5.712 1.00 64.33 H new ATOM 0 HD3 ARG A 87 13.832 13.308 4.949 1.00 64.33 H new ATOM 0 HE ARG A 87 11.870 13.550 6.802 1.00 71.44 H new ATOM 0 HH11 ARG A 87 15.165 12.317 7.157 1.00 71.01 H new ATOM 0 HH12 ARG A 87 15.238 12.692 8.882 1.00 71.01 H new ATOM 0 HH21 ARG A 87 11.987 14.019 9.015 1.00 51.44 H new ATOM 0 HH22 ARG A 87 13.454 13.647 9.926 1.00 51.44 H new ATOM 1265 N ARG A 88 9.939 9.666 4.012 1.00 23.54 N ATOM 1266 CA ARG A 88 9.410 8.474 4.646 1.00 20.52 C ATOM 1267 C ARG A 88 8.146 8.842 5.396 1.00 40.54 C ATOM 1268 O ARG A 88 8.166 9.693 6.282 1.00 70.53 O ATOM 1269 CB ARG A 88 10.449 7.789 5.585 1.00 53.23 C ATOM 1270 CG ARG A 88 10.971 8.651 6.733 1.00 23.35 C ATOM 1271 CD ARG A 88 11.989 7.901 7.564 1.00 2.21 C ATOM 1272 NE ARG A 88 12.459 8.696 8.707 1.00 1.11 N ATOM 1273 CZ ARG A 88 13.714 9.131 8.879 1.00 13.13 C ATOM 1274 NH1 ARG A 88 14.615 9.015 7.898 1.00 50.35 N ATOM 1275 NH2 ARG A 88 14.046 9.728 10.015 1.00 11.05 N ATOM 0 H ARG A 88 9.477 10.526 4.307 1.00 23.54 H new ATOM 0 HA ARG A 88 9.179 7.741 3.873 1.00 20.52 H new ATOM 0 HB2 ARG A 88 9.995 6.892 6.006 1.00 53.23 H new ATOM 0 HB3 ARG A 88 11.298 7.465 4.983 1.00 53.23 H new ATOM 0 HG2 ARG A 88 11.423 9.559 6.333 1.00 23.35 H new ATOM 0 HG3 ARG A 88 10.139 8.961 7.365 1.00 23.35 H new ATOM 0 HD2 ARG A 88 11.548 6.972 7.925 1.00 2.21 H new ATOM 0 HD3 ARG A 88 12.839 7.629 6.938 1.00 2.21 H new ATOM 0 HE ARG A 88 11.776 8.935 9.426 1.00 1.11 H new ATOM 0 HH11 ARG A 88 14.349 8.592 7.009 1.00 50.35 H new ATOM 0 HH12 ARG A 88 15.568 9.349 8.039 1.00 50.35 H new ATOM 0 HH21 ARG A 88 13.348 9.853 10.749 1.00 11.05 H new ATOM 0 HH22 ARG A 88 14.999 10.063 10.156 1.00 11.05 H new ATOM 1289 N HIS A 89 7.041 8.286 4.982 1.00 44.14 N ATOM 1290 CA HIS A 89 5.783 8.555 5.648 1.00 25.13 C ATOM 1291 C HIS A 89 5.454 7.385 6.585 1.00 30.14 C ATOM 1292 O HIS A 89 5.238 7.565 7.790 1.00 23.14 O ATOM 1293 CB HIS A 89 4.669 8.769 4.596 1.00 72.24 C ATOM 1294 CG HIS A 89 3.323 9.214 5.137 1.00 74.15 C ATOM 1295 ND1 HIS A 89 2.326 9.632 4.295 1.00 64.12 N ATOM 1296 CD2 HIS A 89 2.851 9.227 6.404 1.00 13.03 C ATOM 1297 CE1 HIS A 89 1.287 9.871 5.064 1.00 30.10 C ATOM 1298 NE2 HIS A 89 1.555 9.639 6.340 1.00 5.33 N ATOM 0 H HIS A 89 6.979 7.646 4.191 1.00 44.14 H new ATOM 0 HA HIS A 89 5.857 9.465 6.243 1.00 25.13 H new ATOM 0 HB2 HIS A 89 5.013 9.512 3.877 1.00 72.24 H new ATOM 0 HB3 HIS A 89 4.529 7.837 4.049 1.00 72.24 H new ATOM 0 HD1 HIS A 89 2.379 9.736 3.282 1.00 64.12 H new ATOM 0 HD2 HIS A 89 3.398 8.961 7.297 1.00 13.03 H new ATOM 0 HE1 HIS A 89 0.330 10.215 4.699 1.00 30.10 H new ATOM 1306 N ALA A 90 5.489 6.195 6.047 1.00 24.11 N ATOM 1307 CA ALA A 90 5.160 5.013 6.804 1.00 34.23 C ATOM 1308 C ALA A 90 5.966 3.867 6.269 1.00 0.34 C ATOM 1309 O ALA A 90 6.480 3.941 5.152 1.00 44.01 O ATOM 1310 CB ALA A 90 3.668 4.710 6.700 1.00 44.12 C ATOM 0 H ALA A 90 5.745 6.016 5.076 1.00 24.11 H new ATOM 0 HA ALA A 90 5.395 5.171 7.857 1.00 34.23 H new ATOM 0 HB1 ALA A 90 3.437 3.815 7.277 1.00 44.12 H new ATOM 0 HB2 ALA A 90 3.098 5.552 7.093 1.00 44.12 H new ATOM 0 HB3 ALA A 90 3.402 4.547 5.656 1.00 44.12 H new ATOM 1316 N GLU A 91 6.116 2.842 7.034 1.00 72.21 N ATOM 1317 CA GLU A 91 6.858 1.706 6.588 1.00 42.15 C ATOM 1318 C GLU A 91 6.119 0.421 6.908 1.00 11.31 C ATOM 1319 O GLU A 91 5.380 0.347 7.875 1.00 71.33 O ATOM 1320 CB GLU A 91 8.260 1.702 7.187 1.00 61.41 C ATOM 1321 CG GLU A 91 8.300 1.610 8.698 1.00 62.15 C ATOM 1322 CD GLU A 91 9.697 1.513 9.214 1.00 12.13 C ATOM 1323 OE1 GLU A 91 10.228 0.392 9.315 1.00 25.22 O ATOM 1324 OE2 GLU A 91 10.302 2.544 9.531 1.00 35.34 O ATOM 0 H GLU A 91 5.734 2.763 7.977 1.00 72.21 H new ATOM 0 HA GLU A 91 6.961 1.771 5.505 1.00 42.15 H new ATOM 0 HB2 GLU A 91 8.816 0.863 6.770 1.00 61.41 H new ATOM 0 HB3 GLU A 91 8.776 2.611 6.878 1.00 61.41 H new ATOM 0 HG2 GLU A 91 7.815 2.486 9.128 1.00 62.15 H new ATOM 0 HG3 GLU A 91 7.732 0.739 9.024 1.00 62.15 H new ATOM 1331 N PHE A 92 6.318 -0.564 6.086 1.00 23.13 N ATOM 1332 CA PHE A 92 5.706 -1.858 6.239 1.00 15.23 C ATOM 1333 C PHE A 92 6.798 -2.856 6.562 1.00 51.43 C ATOM 1334 O PHE A 92 7.694 -3.078 5.752 1.00 1.34 O ATOM 1335 CB PHE A 92 5.008 -2.300 4.932 1.00 52.33 C ATOM 1336 CG PHE A 92 3.816 -1.484 4.488 1.00 60.53 C ATOM 1337 CD1 PHE A 92 3.966 -0.184 4.020 1.00 70.43 C ATOM 1338 CD2 PHE A 92 2.547 -2.038 4.508 1.00 65.23 C ATOM 1339 CE1 PHE A 92 2.874 0.545 3.591 1.00 61.05 C ATOM 1340 CE2 PHE A 92 1.451 -1.312 4.082 1.00 53.24 C ATOM 1341 CZ PHE A 92 1.615 -0.020 3.624 1.00 54.35 C ATOM 0 H PHE A 92 6.924 -0.493 5.269 1.00 23.13 H new ATOM 0 HA PHE A 92 4.960 -1.809 7.032 1.00 15.23 H new ATOM 0 HB2 PHE A 92 5.747 -2.286 4.131 1.00 52.33 H new ATOM 0 HB3 PHE A 92 4.686 -3.335 5.051 1.00 52.33 H new ATOM 0 HD1 PHE A 92 4.949 0.262 3.991 1.00 70.43 H new ATOM 0 HD2 PHE A 92 2.412 -3.050 4.861 1.00 65.23 H new ATOM 0 HE1 PHE A 92 3.005 1.555 3.231 1.00 61.05 H new ATOM 0 HE2 PHE A 92 0.466 -1.755 4.107 1.00 53.24 H new ATOM 0 HZ PHE A 92 0.759 0.548 3.292 1.00 54.35 H new ATOM 1351 N ARG A 93 6.776 -3.398 7.729 1.00 51.13 N ATOM 1352 CA ARG A 93 7.735 -4.422 8.081 1.00 2.34 C ATOM 1353 C ARG A 93 7.017 -5.730 8.156 1.00 75.23 C ATOM 1354 O ARG A 93 5.935 -5.821 8.746 1.00 22.12 O ATOM 1355 CB ARG A 93 8.461 -4.129 9.402 1.00 54.12 C ATOM 1356 CG ARG A 93 9.352 -2.912 9.343 1.00 61.41 C ATOM 1357 CD ARG A 93 10.213 -2.745 10.589 1.00 24.21 C ATOM 1358 NE ARG A 93 9.435 -2.574 11.823 1.00 32.35 N ATOM 1359 CZ ARG A 93 9.383 -1.431 12.532 1.00 10.33 C ATOM 1360 NH1 ARG A 93 9.823 -0.278 11.988 1.00 33.25 N ATOM 1361 NH2 ARG A 93 8.833 -1.430 13.751 1.00 55.41 N ATOM 0 H ARG A 93 6.111 -3.160 8.465 1.00 51.13 H new ATOM 0 HA ARG A 93 8.508 -4.449 7.313 1.00 2.34 H new ATOM 0 HB2 ARG A 93 7.721 -3.990 10.191 1.00 54.12 H new ATOM 0 HB3 ARG A 93 9.062 -4.996 9.677 1.00 54.12 H new ATOM 0 HG2 ARG A 93 9.998 -2.983 8.468 1.00 61.41 H new ATOM 0 HG3 ARG A 93 8.735 -2.023 9.212 1.00 61.41 H new ATOM 0 HD2 ARG A 93 10.858 -3.617 10.694 1.00 24.21 H new ATOM 0 HD3 ARG A 93 10.864 -1.881 10.457 1.00 24.21 H new ATOM 0 HE ARG A 93 8.900 -3.372 12.165 1.00 32.35 H new ATOM 0 HH11 ARG A 93 10.196 -0.272 11.038 1.00 33.25 H new ATOM 0 HH12 ARG A 93 9.783 0.588 12.526 1.00 33.25 H new ATOM 0 HH21 ARG A 93 8.455 -2.293 14.141 1.00 55.41 H new ATOM 0 HH22 ARG A 93 8.792 -0.566 14.291 1.00 55.41 H new ATOM 1375 N ILE A 94 7.567 -6.715 7.535 1.00 13.51 N ATOM 1376 CA ILE A 94 6.967 -8.001 7.506 1.00 33.42 C ATOM 1377 C ILE A 94 7.763 -8.899 8.421 1.00 42.41 C ATOM 1378 O ILE A 94 8.973 -9.062 8.248 1.00 60.11 O ATOM 1379 CB ILE A 94 6.908 -8.618 6.058 1.00 63.23 C ATOM 1380 CG1 ILE A 94 6.072 -7.758 5.072 1.00 73.41 C ATOM 1381 CG2 ILE A 94 6.351 -10.037 6.091 1.00 13.31 C ATOM 1382 CD1 ILE A 94 6.704 -6.452 4.615 1.00 51.22 C ATOM 0 H ILE A 94 8.451 -6.649 7.030 1.00 13.51 H new ATOM 0 HA ILE A 94 5.933 -7.909 7.838 1.00 33.42 H new ATOM 0 HB ILE A 94 7.936 -8.636 5.695 1.00 63.23 H new ATOM 0 HG12 ILE A 94 5.856 -8.361 4.190 1.00 73.41 H new ATOM 0 HG13 ILE A 94 5.116 -7.529 5.543 1.00 73.41 H new ATOM 0 HG21 ILE A 94 6.321 -10.440 5.079 1.00 13.31 H new ATOM 0 HG22 ILE A 94 6.990 -10.664 6.712 1.00 13.31 H new ATOM 0 HG23 ILE A 94 5.343 -10.023 6.506 1.00 13.31 H new ATOM 0 HD11 ILE A 94 6.027 -5.940 3.930 1.00 51.22 H new ATOM 0 HD12 ILE A 94 6.893 -5.817 5.480 1.00 51.22 H new ATOM 0 HD13 ILE A 94 7.645 -6.662 4.106 1.00 51.22 H new ATOM 1394 N ASN A 95 7.118 -9.423 9.412 1.00 33.11 N ATOM 1395 CA ASN A 95 7.767 -10.295 10.348 1.00 44.30 C ATOM 1396 C ASN A 95 6.859 -11.455 10.661 1.00 31.24 C ATOM 1397 O ASN A 95 5.670 -11.270 10.907 1.00 40.25 O ATOM 1398 CB ASN A 95 8.220 -9.542 11.623 1.00 12.20 C ATOM 1399 CG ASN A 95 7.094 -8.970 12.470 1.00 51.23 C ATOM 1400 OD1 ASN A 95 6.633 -7.845 12.242 1.00 43.42 O ATOM 1401 ND2 ASN A 95 6.693 -9.697 13.478 1.00 71.00 N ATOM 0 H ASN A 95 6.128 -9.262 9.599 1.00 33.11 H new ATOM 0 HA ASN A 95 8.680 -10.682 9.895 1.00 44.30 H new ATOM 0 HB2 ASN A 95 8.807 -10.223 12.239 1.00 12.20 H new ATOM 0 HB3 ASN A 95 8.882 -8.728 11.329 1.00 12.20 H new ATOM 0 HD21 ASN A 95 5.976 -9.341 14.110 1.00 71.00 H new ATOM 0 HD22 ASN A 95 7.097 -10.621 13.633 1.00 71.00 H new ATOM 1408 N GLU A 96 7.414 -12.654 10.559 1.00 4.20 N ATOM 1409 CA GLU A 96 6.708 -13.925 10.777 1.00 23.32 C ATOM 1410 C GLU A 96 5.469 -14.020 9.874 1.00 12.21 C ATOM 1411 O GLU A 96 4.458 -14.646 10.222 1.00 13.12 O ATOM 1412 CB GLU A 96 6.298 -14.097 12.265 1.00 41.32 C ATOM 1413 CG GLU A 96 7.449 -14.299 13.263 1.00 42.40 C ATOM 1414 CD GLU A 96 8.388 -13.118 13.377 1.00 30.51 C ATOM 1415 OE1 GLU A 96 7.974 -12.067 13.895 1.00 65.20 O ATOM 1416 OE2 GLU A 96 9.567 -13.233 12.966 1.00 21.53 O ATOM 0 H GLU A 96 8.396 -12.782 10.316 1.00 4.20 H new ATOM 0 HA GLU A 96 7.395 -14.731 10.519 1.00 23.32 H new ATOM 0 HB2 GLU A 96 5.731 -13.217 12.569 1.00 41.32 H new ATOM 0 HB3 GLU A 96 5.625 -14.951 12.339 1.00 41.32 H new ATOM 0 HG2 GLU A 96 7.029 -14.511 14.246 1.00 42.40 H new ATOM 0 HG3 GLU A 96 8.022 -15.177 12.966 1.00 42.40 H new ATOM 1423 N GLY A 97 5.598 -13.482 8.673 1.00 13.42 N ATOM 1424 CA GLY A 97 4.513 -13.504 7.717 1.00 71.21 C ATOM 1425 C GLY A 97 3.464 -12.431 7.954 1.00 63.31 C ATOM 1426 O GLY A 97 2.530 -12.308 7.174 1.00 4.23 O ATOM 0 H GLY A 97 6.447 -13.025 8.340 1.00 13.42 H new ATOM 0 HA2 GLY A 97 4.923 -13.383 6.714 1.00 71.21 H new ATOM 0 HA3 GLY A 97 4.033 -14.482 7.749 1.00 71.21 H new ATOM 1430 N GLU A 98 3.631 -11.629 8.989 1.00 22.23 N ATOM 1431 CA GLU A 98 2.674 -10.602 9.321 1.00 52.51 C ATOM 1432 C GLU A 98 3.188 -9.275 8.824 1.00 60.02 C ATOM 1433 O GLU A 98 4.385 -9.003 8.881 1.00 64.32 O ATOM 1434 CB GLU A 98 2.522 -10.532 10.828 1.00 75.24 C ATOM 1435 CG GLU A 98 2.109 -11.835 11.467 1.00 3.25 C ATOM 1436 CD GLU A 98 0.699 -12.244 11.129 1.00 53.31 C ATOM 1437 OE1 GLU A 98 -0.259 -11.688 11.718 1.00 74.40 O ATOM 1438 OE2 GLU A 98 0.521 -13.135 10.278 1.00 11.02 O ATOM 0 H GLU A 98 4.432 -11.674 9.618 1.00 22.23 H new ATOM 0 HA GLU A 98 1.713 -10.830 8.860 1.00 52.51 H new ATOM 0 HB2 GLU A 98 3.468 -10.210 11.263 1.00 75.24 H new ATOM 0 HB3 GLU A 98 1.783 -9.769 11.073 1.00 75.24 H new ATOM 0 HG2 GLU A 98 2.794 -12.621 11.149 1.00 3.25 H new ATOM 0 HG3 GLU A 98 2.205 -11.747 12.549 1.00 3.25 H new ATOM 1445 N PHE A 99 2.293 -8.474 8.329 1.00 64.31 N ATOM 1446 CA PHE A 99 2.630 -7.205 7.740 1.00 23.01 C ATOM 1447 C PHE A 99 2.198 -6.107 8.703 1.00 44.03 C ATOM 1448 O PHE A 99 1.007 -5.997 9.005 1.00 32.13 O ATOM 1449 CB PHE A 99 1.836 -7.024 6.420 1.00 13.24 C ATOM 1450 CG PHE A 99 1.825 -8.228 5.490 1.00 43.52 C ATOM 1451 CD1 PHE A 99 0.859 -9.222 5.632 1.00 72.10 C ATOM 1452 CD2 PHE A 99 2.760 -8.363 4.483 1.00 51.24 C ATOM 1453 CE1 PHE A 99 0.836 -10.318 4.790 1.00 32.35 C ATOM 1454 CE2 PHE A 99 2.741 -9.460 3.638 1.00 11.11 C ATOM 1455 CZ PHE A 99 1.779 -10.436 3.793 1.00 4.52 C ATOM 0 H PHE A 99 1.295 -8.682 8.321 1.00 64.31 H new ATOM 0 HA PHE A 99 3.701 -7.159 7.542 1.00 23.01 H new ATOM 0 HB2 PHE A 99 0.806 -6.770 6.669 1.00 13.24 H new ATOM 0 HB3 PHE A 99 2.253 -6.174 5.880 1.00 13.24 H new ATOM 0 HD1 PHE A 99 0.117 -9.135 6.412 1.00 72.10 H new ATOM 0 HD2 PHE A 99 3.516 -7.603 4.353 1.00 51.24 H new ATOM 0 HE1 PHE A 99 0.081 -11.080 4.914 1.00 32.35 H new ATOM 0 HE2 PHE A 99 3.481 -9.551 2.856 1.00 11.11 H new ATOM 0 HZ PHE A 99 1.765 -11.291 3.134 1.00 4.52 H new ATOM 1465 N GLU A 100 3.115 -5.321 9.202 1.00 42.22 N ATOM 1466 CA GLU A 100 2.737 -4.224 10.069 1.00 72.55 C ATOM 1467 C GLU A 100 3.233 -2.893 9.537 1.00 33.21 C ATOM 1468 O GLU A 100 4.332 -2.797 8.982 1.00 72.24 O ATOM 1469 CB GLU A 100 3.150 -4.444 11.532 1.00 5.43 C ATOM 1470 CG GLU A 100 4.620 -4.714 11.753 1.00 42.31 C ATOM 1471 CD GLU A 100 4.966 -4.799 13.214 1.00 51.44 C ATOM 1472 OE1 GLU A 100 4.503 -5.723 13.906 1.00 4.21 O ATOM 1473 OE2 GLU A 100 5.717 -3.938 13.711 1.00 63.41 O ATOM 0 H GLU A 100 4.116 -5.413 9.030 1.00 42.22 H new ATOM 0 HA GLU A 100 1.647 -4.195 10.065 1.00 72.55 H new ATOM 0 HB2 GLU A 100 2.868 -3.563 12.108 1.00 5.43 H new ATOM 0 HB3 GLU A 100 2.579 -5.282 11.932 1.00 5.43 H new ATOM 0 HG2 GLU A 100 4.895 -5.647 11.261 1.00 42.31 H new ATOM 0 HG3 GLU A 100 5.208 -3.923 11.287 1.00 42.31 H new ATOM 1480 N VAL A 101 2.414 -1.890 9.695 1.00 12.45 N ATOM 1481 CA VAL A 101 2.694 -0.564 9.222 1.00 71.24 C ATOM 1482 C VAL A 101 3.089 0.292 10.404 1.00 54.23 C ATOM 1483 O VAL A 101 2.364 0.357 11.400 1.00 13.13 O ATOM 1484 CB VAL A 101 1.448 0.074 8.544 1.00 73.02 C ATOM 1485 CG1 VAL A 101 1.781 1.433 7.933 1.00 51.23 C ATOM 1486 CG2 VAL A 101 0.861 -0.855 7.498 1.00 34.30 C ATOM 0 H VAL A 101 1.514 -1.975 10.167 1.00 12.45 H new ATOM 0 HA VAL A 101 3.495 -0.621 8.485 1.00 71.24 H new ATOM 0 HB VAL A 101 0.698 0.231 9.319 1.00 73.02 H new ATOM 0 HG11 VAL A 101 0.889 1.851 7.467 1.00 51.23 H new ATOM 0 HG12 VAL A 101 2.132 2.107 8.714 1.00 51.23 H new ATOM 0 HG13 VAL A 101 2.560 1.312 7.180 1.00 51.23 H new ATOM 0 HG21 VAL A 101 -0.009 -0.384 7.040 1.00 34.30 H new ATOM 0 HG22 VAL A 101 1.609 -1.059 6.732 1.00 34.30 H new ATOM 0 HG23 VAL A 101 0.561 -1.791 7.970 1.00 34.30 H new ATOM 1496 N VAL A 102 4.227 0.894 10.315 1.00 63.21 N ATOM 1497 CA VAL A 102 4.713 1.771 11.339 1.00 73.25 C ATOM 1498 C VAL A 102 4.843 3.163 10.754 1.00 74.23 C ATOM 1499 O VAL A 102 5.509 3.354 9.721 1.00 15.53 O ATOM 1500 CB VAL A 102 6.084 1.296 11.894 1.00 53.33 C ATOM 1501 CG1 VAL A 102 6.589 2.228 12.991 1.00 41.13 C ATOM 1502 CG2 VAL A 102 5.983 -0.133 12.415 1.00 44.42 C ATOM 0 H VAL A 102 4.858 0.793 9.520 1.00 63.21 H new ATOM 0 HA VAL A 102 4.009 1.770 12.171 1.00 73.25 H new ATOM 0 HB VAL A 102 6.803 1.320 11.075 1.00 53.33 H new ATOM 0 HG11 VAL A 102 7.550 1.869 13.359 1.00 41.13 H new ATOM 0 HG12 VAL A 102 6.707 3.234 12.588 1.00 41.13 H new ATOM 0 HG13 VAL A 102 5.871 2.248 13.811 1.00 41.13 H new ATOM 0 HG21 VAL A 102 6.952 -0.449 12.800 1.00 44.42 H new ATOM 0 HG22 VAL A 102 5.243 -0.177 13.214 1.00 44.42 H new ATOM 0 HG23 VAL A 102 5.681 -0.796 11.604 1.00 44.42 H new ATOM 1512 N ASP A 103 4.186 4.104 11.366 1.00 53.32 N ATOM 1513 CA ASP A 103 4.213 5.479 10.919 1.00 11.33 C ATOM 1514 C ASP A 103 5.454 6.170 11.397 1.00 44.10 C ATOM 1515 O ASP A 103 5.777 6.135 12.584 1.00 71.33 O ATOM 1516 CB ASP A 103 2.999 6.255 11.420 1.00 13.34 C ATOM 1517 CG ASP A 103 1.725 5.944 10.694 1.00 33.23 C ATOM 1518 OD1 ASP A 103 1.076 4.940 11.012 1.00 42.43 O ATOM 1519 OD2 ASP A 103 1.338 6.756 9.824 1.00 41.40 O ATOM 0 H ASP A 103 3.612 3.946 12.194 1.00 53.32 H new ATOM 0 HA ASP A 103 4.198 5.457 9.829 1.00 11.33 H new ATOM 0 HB2 ASP A 103 2.860 6.044 12.480 1.00 13.34 H new ATOM 0 HB3 ASP A 103 3.203 7.322 11.331 1.00 13.34 H new ATOM 1524 N VAL A 104 6.161 6.776 10.490 1.00 71.51 N ATOM 1525 CA VAL A 104 7.337 7.549 10.841 1.00 75.34 C ATOM 1526 C VAL A 104 7.083 9.025 10.569 1.00 62.12 C ATOM 1527 O VAL A 104 7.796 9.900 11.051 1.00 74.44 O ATOM 1528 CB VAL A 104 8.623 7.056 10.118 1.00 74.32 C ATOM 1529 CG1 VAL A 104 9.036 5.694 10.646 1.00 22.42 C ATOM 1530 CG2 VAL A 104 8.407 6.974 8.620 1.00 23.01 C ATOM 0 H VAL A 104 5.950 6.755 9.492 1.00 71.51 H new ATOM 0 HA VAL A 104 7.519 7.405 11.906 1.00 75.34 H new ATOM 0 HB VAL A 104 9.416 7.777 10.318 1.00 74.32 H new ATOM 0 HG11 VAL A 104 9.937 5.362 10.131 1.00 22.42 H new ATOM 0 HG12 VAL A 104 9.234 5.763 11.716 1.00 22.42 H new ATOM 0 HG13 VAL A 104 8.233 4.977 10.471 1.00 22.42 H new ATOM 0 HG21 VAL A 104 9.321 6.627 8.139 1.00 23.01 H new ATOM 0 HG22 VAL A 104 7.597 6.276 8.407 1.00 23.01 H new ATOM 0 HG23 VAL A 104 8.147 7.960 8.235 1.00 23.01 H new ATOM 1540 N GLY A 105 6.055 9.277 9.801 1.00 23.43 N ATOM 1541 CA GLY A 105 5.630 10.603 9.513 1.00 42.14 C ATOM 1542 C GLY A 105 4.197 10.771 9.929 1.00 64.14 C ATOM 1543 O GLY A 105 3.344 11.141 9.128 1.00 62.13 O ATOM 0 H GLY A 105 5.490 8.553 9.358 1.00 23.43 H new ATOM 0 HA2 GLY A 105 6.259 11.320 10.040 1.00 42.14 H new ATOM 0 HA3 GLY A 105 5.737 10.807 8.448 1.00 42.14 H new ATOM 1547 N SER A 106 3.931 10.527 11.209 1.00 0.34 N ATOM 1548 CA SER A 106 2.575 10.585 11.778 1.00 33.23 C ATOM 1549 C SER A 106 2.041 12.035 11.827 1.00 54.24 C ATOM 1550 O SER A 106 0.965 12.306 12.355 1.00 25.14 O ATOM 1551 CB SER A 106 2.609 10.001 13.187 1.00 14.53 C ATOM 1552 OG SER A 106 3.422 8.829 13.222 1.00 31.00 O ATOM 0 H SER A 106 4.650 10.282 11.890 1.00 0.34 H new ATOM 0 HA SER A 106 1.905 10.007 11.141 1.00 33.23 H new ATOM 0 HB2 SER A 106 2.999 10.742 13.885 1.00 14.53 H new ATOM 0 HB3 SER A 106 1.597 9.759 13.511 1.00 14.53 H new ATOM 0 HG SER A 106 3.435 8.467 14.133 1.00 31.00 H new ATOM 1558 N LEU A 107 2.808 12.949 11.273 1.00 34.52 N ATOM 1559 CA LEU A 107 2.450 14.342 11.197 1.00 70.22 C ATOM 1560 C LEU A 107 1.444 14.543 10.076 1.00 43.23 C ATOM 1561 O LEU A 107 0.713 15.525 10.053 1.00 12.32 O ATOM 1562 CB LEU A 107 3.696 15.237 10.953 1.00 32.32 C ATOM 1563 CG LEU A 107 4.773 15.306 12.069 1.00 21.34 C ATOM 1564 CD1 LEU A 107 5.562 14.008 12.203 1.00 34.15 C ATOM 1565 CD2 LEU A 107 5.710 16.479 11.833 1.00 51.20 C ATOM 0 H LEU A 107 3.714 12.737 10.856 1.00 34.52 H new ATOM 0 HA LEU A 107 2.010 14.635 12.150 1.00 70.22 H new ATOM 0 HB2 LEU A 107 4.182 14.891 10.041 1.00 32.32 H new ATOM 0 HB3 LEU A 107 3.346 16.252 10.763 1.00 32.32 H new ATOM 0 HG LEU A 107 4.245 15.454 13.011 1.00 21.34 H new ATOM 0 HD11 LEU A 107 6.301 14.112 12.997 1.00 34.15 H new ATOM 0 HD12 LEU A 107 4.881 13.192 12.445 1.00 34.15 H new ATOM 0 HD13 LEU A 107 6.068 13.791 11.262 1.00 34.15 H new ATOM 0 HD21 LEU A 107 6.458 16.512 12.625 1.00 51.20 H new ATOM 0 HD22 LEU A 107 6.206 16.360 10.870 1.00 51.20 H new ATOM 0 HD23 LEU A 107 5.139 17.407 11.835 1.00 51.20 H new ATOM 1577 N ASN A 108 1.417 13.593 9.150 1.00 51.12 N ATOM 1578 CA ASN A 108 0.505 13.663 8.015 1.00 62.10 C ATOM 1579 C ASN A 108 -0.827 13.035 8.370 1.00 43.44 C ATOM 1580 O ASN A 108 -1.842 13.328 7.754 1.00 33.12 O ATOM 1581 CB ASN A 108 1.096 12.939 6.786 1.00 52.42 C ATOM 1582 CG ASN A 108 2.361 13.582 6.223 1.00 1.23 C ATOM 1583 OD1 ASN A 108 3.144 14.176 6.939 1.00 55.04 O ATOM 1584 ND2 ASN A 108 2.564 13.451 4.932 1.00 34.51 N ATOM 0 H ASN A 108 2.015 12.767 9.162 1.00 51.12 H new ATOM 0 HA ASN A 108 0.359 14.715 7.770 1.00 62.10 H new ATOM 0 HB2 ASN A 108 1.318 11.907 7.059 1.00 52.42 H new ATOM 0 HB3 ASN A 108 0.340 12.905 6.001 1.00 52.42 H new ATOM 0 HD21 ASN A 108 3.397 13.853 4.503 1.00 34.51 H new ATOM 0 HD22 ASN A 108 1.888 12.947 4.358 1.00 34.51 H new ATOM 1591 N GLY A 109 -0.820 12.210 9.401 1.00 0.41 N ATOM 1592 CA GLY A 109 -2.031 11.555 9.851 1.00 64.12 C ATOM 1593 C GLY A 109 -2.515 10.479 8.891 1.00 34.32 C ATOM 1594 O GLY A 109 -3.522 10.653 8.205 1.00 71.14 O ATOM 0 H GLY A 109 0.013 11.978 9.942 1.00 0.41 H new ATOM 0 HA2 GLY A 109 -1.854 11.109 10.830 1.00 64.12 H new ATOM 0 HA3 GLY A 109 -2.816 12.301 9.978 1.00 64.12 H new ATOM 1598 N THR A 110 -1.806 9.379 8.841 1.00 12.04 N ATOM 1599 CA THR A 110 -2.181 8.271 8.000 1.00 3.43 C ATOM 1600 C THR A 110 -3.439 7.644 8.576 1.00 50.11 C ATOM 1601 O THR A 110 -3.498 7.352 9.773 1.00 35.22 O ATOM 1602 CB THR A 110 -1.070 7.222 8.008 1.00 51.12 C ATOM 1603 OG1 THR A 110 0.185 7.872 7.816 1.00 43.54 O ATOM 1604 CG2 THR A 110 -1.273 6.192 6.906 1.00 33.23 C ATOM 0 H THR A 110 -0.954 9.227 9.381 1.00 12.04 H new ATOM 0 HA THR A 110 -2.349 8.619 6.981 1.00 3.43 H new ATOM 0 HB THR A 110 -1.092 6.705 8.967 1.00 51.12 H new ATOM 0 HG1 THR A 110 0.119 8.495 7.063 1.00 43.54 H new ATOM 0 HG21 THR A 110 -0.466 5.460 6.939 1.00 33.23 H new ATOM 0 HG22 THR A 110 -2.228 5.686 7.052 1.00 33.23 H new ATOM 0 HG23 THR A 110 -1.271 6.691 5.937 1.00 33.23 H new ATOM 1612 N TYR A 111 -4.431 7.433 7.757 1.00 4.11 N ATOM 1613 CA TYR A 111 -5.658 6.894 8.262 1.00 35.25 C ATOM 1614 C TYR A 111 -5.839 5.480 7.807 1.00 53.43 C ATOM 1615 O TYR A 111 -5.811 5.205 6.633 1.00 11.43 O ATOM 1616 CB TYR A 111 -6.863 7.708 7.784 1.00 23.40 C ATOM 1617 CG TYR A 111 -6.825 9.175 8.120 1.00 24.35 C ATOM 1618 CD1 TYR A 111 -6.934 9.609 9.430 1.00 33.54 C ATOM 1619 CD2 TYR A 111 -6.681 10.128 7.119 1.00 62.23 C ATOM 1620 CE1 TYR A 111 -6.905 10.951 9.736 1.00 55.42 C ATOM 1621 CE2 TYR A 111 -6.656 11.472 7.415 1.00 21.31 C ATOM 1622 CZ TYR A 111 -6.766 11.878 8.725 1.00 44.03 C ATOM 1623 OH TYR A 111 -6.750 13.219 9.030 1.00 34.11 O ATOM 0 H TYR A 111 -4.415 7.622 6.755 1.00 4.11 H new ATOM 0 HA TYR A 111 -5.600 6.935 9.350 1.00 35.25 H new ATOM 0 HB2 TYR A 111 -6.945 7.602 6.702 1.00 23.40 H new ATOM 0 HB3 TYR A 111 -7.766 7.277 8.216 1.00 23.40 H new ATOM 0 HD1 TYR A 111 -7.043 8.884 10.223 1.00 33.54 H new ATOM 0 HD2 TYR A 111 -6.587 9.809 6.092 1.00 62.23 H new ATOM 0 HE1 TYR A 111 -6.991 11.276 10.762 1.00 55.42 H new ATOM 0 HE2 TYR A 111 -6.551 12.202 6.626 1.00 21.31 H new ATOM 0 HH TYR A 111 -6.207 13.698 8.370 1.00 34.11 H new ATOM 1633 N VAL A 112 -6.049 4.605 8.719 1.00 34.51 N ATOM 1634 CA VAL A 112 -6.387 3.251 8.400 1.00 63.01 C ATOM 1635 C VAL A 112 -7.816 3.076 8.824 1.00 72.22 C ATOM 1636 O VAL A 112 -8.137 3.251 10.007 1.00 2.31 O ATOM 1637 CB VAL A 112 -5.486 2.231 9.135 1.00 43.11 C ATOM 1638 CG1 VAL A 112 -5.916 0.804 8.816 1.00 23.13 C ATOM 1639 CG2 VAL A 112 -4.031 2.442 8.745 1.00 40.30 C ATOM 0 H VAL A 112 -5.993 4.800 9.719 1.00 34.51 H new ATOM 0 HA VAL A 112 -6.242 3.067 7.336 1.00 63.01 H new ATOM 0 HB VAL A 112 -5.591 2.389 10.208 1.00 43.11 H new ATOM 0 HG11 VAL A 112 -5.269 0.103 9.343 1.00 23.13 H new ATOM 0 HG12 VAL A 112 -6.948 0.655 9.134 1.00 23.13 H new ATOM 0 HG13 VAL A 112 -5.839 0.632 7.742 1.00 23.13 H new ATOM 0 HG21 VAL A 112 -3.406 1.719 9.268 1.00 40.30 H new ATOM 0 HG22 VAL A 112 -3.919 2.307 7.669 1.00 40.30 H new ATOM 0 HG23 VAL A 112 -3.724 3.452 9.018 1.00 40.30 H new ATOM 1649 N ASN A 113 -8.672 2.799 7.858 1.00 63.43 N ATOM 1650 CA ASN A 113 -10.127 2.687 8.064 1.00 71.35 C ATOM 1651 C ASN A 113 -10.643 3.996 8.701 1.00 54.33 C ATOM 1652 O ASN A 113 -11.494 3.998 9.599 1.00 71.42 O ATOM 1653 CB ASN A 113 -10.463 1.484 8.949 1.00 43.02 C ATOM 1654 CG ASN A 113 -11.736 0.793 8.512 1.00 45.54 C ATOM 1655 OD1 ASN A 113 -12.840 1.140 8.926 1.00 74.10 O ATOM 1656 ND2 ASN A 113 -11.587 -0.204 7.677 1.00 3.23 N ATOM 0 H ASN A 113 -8.385 2.641 6.892 1.00 63.43 H new ATOM 0 HA ASN A 113 -10.617 2.531 7.103 1.00 71.35 H new ATOM 0 HB2 ASN A 113 -9.637 0.773 8.922 1.00 43.02 H new ATOM 0 HB3 ASN A 113 -10.566 1.813 9.983 1.00 43.02 H new ATOM 0 HD21 ASN A 113 -12.403 -0.721 7.349 1.00 3.23 H new ATOM 0 HD22 ASN A 113 -10.655 -0.464 7.354 1.00 3.23 H new ATOM 1663 N ARG A 114 -10.083 5.106 8.188 1.00 40.22 N ATOM 1664 CA ARG A 114 -10.366 6.482 8.604 1.00 72.51 C ATOM 1665 C ARG A 114 -9.822 6.900 9.971 1.00 74.10 C ATOM 1666 O ARG A 114 -10.047 8.034 10.379 1.00 3.13 O ATOM 1667 CB ARG A 114 -11.851 6.801 8.486 1.00 65.34 C ATOM 1668 CG ARG A 114 -12.279 7.218 7.100 1.00 60.41 C ATOM 1669 CD ARG A 114 -11.790 8.633 6.794 1.00 24.51 C ATOM 1670 NE ARG A 114 -12.223 9.588 7.831 1.00 72.13 N ATOM 1671 CZ ARG A 114 -11.599 10.734 8.177 1.00 12.22 C ATOM 1672 NH1 ARG A 114 -10.578 11.206 7.466 1.00 11.23 N ATOM 1673 NH2 ARG A 114 -12.047 11.430 9.201 1.00 30.45 N ATOM 0 H ARG A 114 -9.391 5.061 7.440 1.00 40.22 H new ATOM 0 HA ARG A 114 -9.800 7.088 7.897 1.00 72.51 H new ATOM 0 HB2 ARG A 114 -12.426 5.924 8.785 1.00 65.34 H new ATOM 0 HB3 ARG A 114 -12.098 7.598 9.187 1.00 65.34 H new ATOM 0 HG2 ARG A 114 -11.879 6.521 6.364 1.00 60.41 H new ATOM 0 HG3 ARG A 114 -13.365 7.177 7.020 1.00 60.41 H new ATOM 0 HD2 ARG A 114 -10.702 8.637 6.725 1.00 24.51 H new ATOM 0 HD3 ARG A 114 -12.172 8.950 5.823 1.00 24.51 H new ATOM 0 HE ARG A 114 -13.079 9.360 8.337 1.00 72.13 H new ATOM 0 HH11 ARG A 114 -10.253 10.700 6.642 1.00 11.23 H new ATOM 0 HH12 ARG A 114 -10.120 12.074 7.745 1.00 11.23 H new ATOM 0 HH21 ARG A 114 -12.858 11.102 9.725 1.00 30.45 H new ATOM 0 HH22 ARG A 114 -11.583 12.297 9.471 1.00 30.45 H new ATOM 1687 N GLU A 115 -9.022 6.071 10.616 1.00 60.41 N ATOM 1688 CA GLU A 115 -8.459 6.445 11.911 1.00 74.23 C ATOM 1689 C GLU A 115 -6.939 6.555 11.822 1.00 60.41 C ATOM 1690 O GLU A 115 -6.300 5.708 11.201 1.00 21.22 O ATOM 1691 CB GLU A 115 -8.861 5.452 13.004 1.00 45.42 C ATOM 1692 CG GLU A 115 -10.358 5.381 13.271 1.00 64.31 C ATOM 1693 CD GLU A 115 -10.953 6.698 13.714 1.00 22.51 C ATOM 1694 OE1 GLU A 115 -10.895 7.028 14.912 1.00 11.43 O ATOM 1695 OE2 GLU A 115 -11.528 7.416 12.887 1.00 62.42 O ATOM 0 H GLU A 115 -8.748 5.149 10.277 1.00 60.41 H new ATOM 0 HA GLU A 115 -8.866 7.420 12.181 1.00 74.23 H new ATOM 0 HB2 GLU A 115 -8.507 4.460 12.724 1.00 45.42 H new ATOM 0 HB3 GLU A 115 -8.352 5.723 13.929 1.00 45.42 H new ATOM 0 HG2 GLU A 115 -10.865 5.048 12.366 1.00 64.31 H new ATOM 0 HG3 GLU A 115 -10.547 4.629 14.037 1.00 64.31 H new ATOM 1702 N PRO A 116 -6.345 7.611 12.413 1.00 73.50 N ATOM 1703 CA PRO A 116 -4.888 7.834 12.375 1.00 23.02 C ATOM 1704 C PRO A 116 -4.102 6.724 13.087 1.00 52.05 C ATOM 1705 O PRO A 116 -4.587 6.109 14.063 1.00 11.50 O ATOM 1706 CB PRO A 116 -4.701 9.176 13.096 1.00 75.54 C ATOM 1707 CG PRO A 116 -5.924 9.332 13.929 1.00 24.30 C ATOM 1708 CD PRO A 116 -7.034 8.672 13.166 1.00 35.44 C ATOM 0 HA PRO A 116 -4.510 7.834 11.353 1.00 23.02 H new ATOM 0 HB2 PRO A 116 -3.801 9.173 13.711 1.00 75.54 H new ATOM 0 HB3 PRO A 116 -4.599 9.996 12.385 1.00 75.54 H new ATOM 0 HG2 PRO A 116 -5.792 8.867 14.906 1.00 24.30 H new ATOM 0 HG3 PRO A 116 -6.144 10.385 14.105 1.00 24.30 H new ATOM 0 HD2 PRO A 116 -7.793 8.263 13.833 1.00 35.44 H new ATOM 0 HD3 PRO A 116 -7.538 9.374 12.502 1.00 35.44 H new ATOM 1716 N ARG A 117 -2.912 6.445 12.606 1.00 75.54 N ATOM 1717 CA ARG A 117 -2.112 5.383 13.178 1.00 5.21 C ATOM 1718 C ARG A 117 -0.774 5.825 13.691 1.00 51.04 C ATOM 1719 O ARG A 117 -0.281 6.918 13.387 1.00 13.12 O ATOM 1720 CB ARG A 117 -1.952 4.205 12.220 1.00 3.42 C ATOM 1721 CG ARG A 117 -3.229 3.458 11.974 1.00 72.22 C ATOM 1722 CD ARG A 117 -3.741 2.826 13.248 1.00 63.13 C ATOM 1723 NE ARG A 117 -5.042 2.198 13.067 1.00 11.12 N ATOM 1724 CZ ARG A 117 -6.168 2.584 13.682 1.00 72.35 C ATOM 1725 NH1 ARG A 117 -6.219 3.750 14.334 1.00 54.14 N ATOM 1726 NH2 ARG A 117 -7.259 1.839 13.585 1.00 71.00 N ATOM 0 H ARG A 117 -2.477 6.935 11.824 1.00 75.54 H new ATOM 0 HA ARG A 117 -2.680 5.054 14.048 1.00 5.21 H new ATOM 0 HB2 ARG A 117 -1.565 4.570 11.269 1.00 3.42 H new ATOM 0 HB3 ARG A 117 -1.209 3.517 12.623 1.00 3.42 H new ATOM 0 HG2 ARG A 117 -3.981 4.138 11.574 1.00 72.22 H new ATOM 0 HG3 ARG A 117 -3.064 2.686 11.222 1.00 72.22 H new ATOM 0 HD2 ARG A 117 -3.025 2.081 13.595 1.00 63.13 H new ATOM 0 HD3 ARG A 117 -3.812 3.586 14.026 1.00 63.13 H new ATOM 0 HE ARG A 117 -5.100 1.407 12.426 1.00 11.12 H new ATOM 0 HH11 ARG A 117 -5.397 4.353 14.366 1.00 54.14 H new ATOM 0 HH12 ARG A 117 -7.080 4.037 14.800 1.00 54.14 H new ATOM 0 HH21 ARG A 117 -7.240 0.975 13.044 1.00 71.00 H new ATOM 0 HH22 ARG A 117 -8.118 2.130 14.052 1.00 71.00 H new ATOM 1740 N ASN A 118 -0.248 4.980 14.532 1.00 2.32 N ATOM 1741 CA ASN A 118 1.076 5.109 15.110 1.00 12.53 C ATOM 1742 C ASN A 118 1.877 3.923 14.599 1.00 15.43 C ATOM 1743 O ASN A 118 2.987 4.061 14.068 1.00 53.01 O ATOM 1744 CB ASN A 118 1.014 5.020 16.660 1.00 4.02 C ATOM 1745 CG ASN A 118 0.231 6.133 17.365 1.00 53.42 C ATOM 1746 OD1 ASN A 118 -0.704 6.732 16.819 1.00 54.22 O ATOM 1747 ND2 ASN A 118 0.570 6.382 18.599 1.00 60.24 N ATOM 0 H ASN A 118 -0.743 4.147 14.851 1.00 2.32 H new ATOM 0 HA ASN A 118 1.517 6.068 14.838 1.00 12.53 H new ATOM 0 HB2 ASN A 118 0.570 4.062 16.932 1.00 4.02 H new ATOM 0 HB3 ASN A 118 2.034 5.020 17.045 1.00 4.02 H new ATOM 0 HD21 ASN A 118 0.061 7.084 19.136 1.00 60.24 H new ATOM 0 HD22 ASN A 118 1.345 5.875 19.027 1.00 60.24 H new ATOM 1754 N ALA A 119 1.284 2.750 14.786 1.00 32.41 N ATOM 1755 CA ALA A 119 1.804 1.472 14.334 1.00 65.40 C ATOM 1756 C ALA A 119 0.643 0.499 14.380 1.00 14.41 C ATOM 1757 O ALA A 119 -0.147 0.531 15.341 1.00 22.11 O ATOM 1758 CB ALA A 119 2.940 0.996 15.240 1.00 55.14 C ATOM 0 H ALA A 119 0.394 2.663 15.276 1.00 32.41 H new ATOM 0 HA ALA A 119 2.215 1.551 13.327 1.00 65.40 H new ATOM 0 HB1 ALA A 119 3.314 0.037 14.882 1.00 55.14 H new ATOM 0 HB2 ALA A 119 3.748 1.728 15.226 1.00 55.14 H new ATOM 0 HB3 ALA A 119 2.570 0.883 16.259 1.00 55.14 H new ATOM 1764 N GLN A 120 0.475 -0.307 13.362 1.00 11.24 N ATOM 1765 CA GLN A 120 -0.656 -1.207 13.319 1.00 74.32 C ATOM 1766 C GLN A 120 -0.345 -2.437 12.467 1.00 5.11 C ATOM 1767 O GLN A 120 0.368 -2.331 11.472 1.00 11.55 O ATOM 1768 CB GLN A 120 -1.868 -0.497 12.761 1.00 45.24 C ATOM 1769 CG GLN A 120 -3.166 -1.019 13.325 1.00 62.23 C ATOM 1770 CD GLN A 120 -4.198 -1.220 12.273 1.00 43.04 C ATOM 1771 OE1 GLN A 120 -4.960 -0.312 11.945 1.00 53.21 O ATOM 1772 NE2 GLN A 120 -4.254 -2.406 11.760 1.00 72.40 N ATOM 0 H GLN A 120 1.099 -0.361 12.557 1.00 11.24 H new ATOM 0 HA GLN A 120 -0.865 -1.533 14.338 1.00 74.32 H new ATOM 0 HB2 GLN A 120 -1.788 0.569 12.974 1.00 45.24 H new ATOM 0 HB3 GLN A 120 -1.879 -0.606 11.677 1.00 45.24 H new ATOM 0 HG2 GLN A 120 -2.983 -1.964 13.837 1.00 62.23 H new ATOM 0 HG3 GLN A 120 -3.543 -0.320 14.071 1.00 62.23 H new ATOM 0 HE21 GLN A 120 -3.599 -3.125 12.066 1.00 72.40 H new ATOM 0 HE22 GLN A 120 -4.953 -2.622 11.050 1.00 72.40 H new ATOM 1781 N VAL A 121 -0.874 -3.583 12.841 1.00 11.35 N ATOM 1782 CA VAL A 121 -0.652 -4.805 12.082 1.00 45.50 C ATOM 1783 C VAL A 121 -1.746 -4.835 11.048 1.00 3.51 C ATOM 1784 O VAL A 121 -2.921 -4.791 11.397 1.00 3.51 O ATOM 1785 CB VAL A 121 -0.728 -6.077 12.975 1.00 1.20 C ATOM 1786 CG1 VAL A 121 -0.378 -7.328 12.176 1.00 72.11 C ATOM 1787 CG2 VAL A 121 0.187 -5.946 14.182 1.00 12.44 C ATOM 0 H VAL A 121 -1.462 -3.698 13.666 1.00 11.35 H new ATOM 0 HA VAL A 121 0.346 -4.807 11.643 1.00 45.50 H new ATOM 0 HB VAL A 121 -1.754 -6.174 13.329 1.00 1.20 H new ATOM 0 HG11 VAL A 121 -0.439 -8.202 12.824 1.00 72.11 H new ATOM 0 HG12 VAL A 121 -1.079 -7.440 11.349 1.00 72.11 H new ATOM 0 HG13 VAL A 121 0.635 -7.237 11.783 1.00 72.11 H new ATOM 0 HG21 VAL A 121 0.117 -6.847 14.791 1.00 12.44 H new ATOM 0 HG22 VAL A 121 1.216 -5.814 13.846 1.00 12.44 H new ATOM 0 HG23 VAL A 121 -0.114 -5.083 14.775 1.00 12.44 H new ATOM 1797 N MET A 122 -1.403 -4.940 9.811 1.00 2.32 N ATOM 1798 CA MET A 122 -2.374 -4.680 8.789 1.00 11.44 C ATOM 1799 C MET A 122 -3.158 -5.902 8.380 1.00 50.13 C ATOM 1800 O MET A 122 -2.603 -6.986 8.179 1.00 31.34 O ATOM 1801 CB MET A 122 -1.734 -3.995 7.590 1.00 65.02 C ATOM 1802 CG MET A 122 -2.757 -3.349 6.688 1.00 63.05 C ATOM 1803 SD MET A 122 -3.900 -2.320 7.638 1.00 54.02 S ATOM 1804 CE MET A 122 -2.768 -1.208 8.487 1.00 75.42 C ATOM 0 H MET A 122 -0.474 -5.200 9.479 1.00 2.32 H new ATOM 0 HA MET A 122 -3.103 -3.997 9.225 1.00 11.44 H new ATOM 0 HB2 MET A 122 -1.031 -3.239 7.939 1.00 65.02 H new ATOM 0 HB3 MET A 122 -1.160 -4.726 7.020 1.00 65.02 H new ATOM 0 HG2 MET A 122 -2.253 -2.741 5.937 1.00 63.05 H new ATOM 0 HG3 MET A 122 -3.314 -4.119 6.153 1.00 63.05 H new ATOM 0 HE1 MET A 122 -3.337 -0.494 9.082 1.00 75.42 H new ATOM 0 HE2 MET A 122 -2.113 -1.785 9.140 1.00 75.42 H new ATOM 0 HE3 MET A 122 -2.167 -0.671 7.753 1.00 75.42 H new ATOM 1814 N GLN A 123 -4.452 -5.709 8.278 1.00 40.22 N ATOM 1815 CA GLN A 123 -5.374 -6.744 7.928 1.00 22.34 C ATOM 1816 C GLN A 123 -5.821 -6.597 6.485 1.00 1.21 C ATOM 1817 O GLN A 123 -5.986 -5.481 5.974 1.00 44.01 O ATOM 1818 CB GLN A 123 -6.578 -6.761 8.881 1.00 30.31 C ATOM 1819 CG GLN A 123 -7.252 -5.411 9.064 1.00 30.44 C ATOM 1820 CD GLN A 123 -8.495 -5.480 9.927 1.00 41.54 C ATOM 1821 OE1 GLN A 123 -8.623 -6.340 10.803 1.00 22.22 O ATOM 1822 NE2 GLN A 123 -9.395 -4.559 9.728 1.00 40.32 N ATOM 0 H GLN A 123 -4.895 -4.805 8.441 1.00 40.22 H new ATOM 0 HA GLN A 123 -4.862 -7.701 8.029 1.00 22.34 H new ATOM 0 HB2 GLN A 123 -7.313 -7.473 8.506 1.00 30.31 H new ATOM 0 HB3 GLN A 123 -6.250 -7.125 9.855 1.00 30.31 H new ATOM 0 HG2 GLN A 123 -6.543 -4.716 9.513 1.00 30.44 H new ATOM 0 HG3 GLN A 123 -7.517 -5.009 8.086 1.00 30.44 H new ATOM 0 HE21 GLN A 123 -9.259 -3.863 8.995 1.00 40.32 H new ATOM 0 HE22 GLN A 123 -10.236 -4.534 10.305 1.00 40.32 H new ATOM 1831 N THR A 124 -5.960 -7.713 5.841 1.00 41.33 N ATOM 1832 CA THR A 124 -6.394 -7.798 4.473 1.00 50.05 C ATOM 1833 C THR A 124 -7.821 -7.215 4.293 1.00 2.21 C ATOM 1834 O THR A 124 -8.740 -7.524 5.059 1.00 44.03 O ATOM 1835 CB THR A 124 -6.307 -9.286 3.993 1.00 55.31 C ATOM 1836 OG1 THR A 124 -6.763 -9.450 2.640 1.00 70.53 O ATOM 1837 CG2 THR A 124 -7.077 -10.229 4.921 1.00 13.44 C ATOM 0 H THR A 124 -5.770 -8.622 6.262 1.00 41.33 H new ATOM 0 HA THR A 124 -5.734 -7.193 3.852 1.00 50.05 H new ATOM 0 HB THR A 124 -5.250 -9.552 4.028 1.00 55.31 H new ATOM 0 HG1 THR A 124 -7.109 -10.359 2.519 1.00 70.53 H new ATOM 0 HG21 THR A 124 -6.992 -11.251 4.553 1.00 13.44 H new ATOM 0 HG22 THR A 124 -6.661 -10.169 5.927 1.00 13.44 H new ATOM 0 HG23 THR A 124 -8.127 -9.938 4.945 1.00 13.44 H new ATOM 1845 N GLY A 125 -7.968 -6.343 3.315 1.00 3.34 N ATOM 1846 CA GLY A 125 -9.247 -5.746 3.004 1.00 3.54 C ATOM 1847 C GLY A 125 -9.412 -4.349 3.582 1.00 64.10 C ATOM 1848 O GLY A 125 -10.411 -3.675 3.311 1.00 73.34 O ATOM 0 H GLY A 125 -7.204 -6.030 2.716 1.00 3.34 H new ATOM 0 HA2 GLY A 125 -9.366 -5.701 1.921 1.00 3.54 H new ATOM 0 HA3 GLY A 125 -10.042 -6.386 3.386 1.00 3.54 H new ATOM 1852 N ASP A 126 -8.442 -3.905 4.346 1.00 52.05 N ATOM 1853 CA ASP A 126 -8.517 -2.593 4.994 1.00 44.40 C ATOM 1854 C ASP A 126 -7.943 -1.500 4.083 1.00 61.42 C ATOM 1855 O ASP A 126 -7.107 -1.788 3.196 1.00 41.21 O ATOM 1856 CB ASP A 126 -7.818 -2.583 6.346 1.00 42.15 C ATOM 1857 CG ASP A 126 -8.516 -1.670 7.341 1.00 4.24 C ATOM 1858 OD1 ASP A 126 -8.957 -0.567 6.968 1.00 62.23 O ATOM 1859 OD2 ASP A 126 -8.706 -2.095 8.513 1.00 41.22 O ATOM 0 H ASP A 126 -7.586 -4.425 4.541 1.00 52.05 H new ATOM 0 HA ASP A 126 -9.572 -2.383 5.170 1.00 44.40 H new ATOM 0 HB2 ASP A 126 -7.786 -3.597 6.745 1.00 42.15 H new ATOM 0 HB3 ASP A 126 -6.786 -2.258 6.218 1.00 42.15 H new ATOM 1864 N GLU A 127 -8.385 -0.270 4.273 1.00 3.50 N ATOM 1865 CA GLU A 127 -7.972 0.828 3.426 1.00 54.24 C ATOM 1866 C GLU A 127 -7.080 1.799 4.194 1.00 31.43 C ATOM 1867 O GLU A 127 -7.369 2.194 5.344 1.00 34.24 O ATOM 1868 CB GLU A 127 -9.176 1.570 2.816 1.00 45.01 C ATOM 1869 CG GLU A 127 -10.133 2.186 3.832 1.00 44.50 C ATOM 1870 CD GLU A 127 -11.193 3.027 3.173 1.00 52.12 C ATOM 1871 OE1 GLU A 127 -12.236 2.486 2.777 1.00 22.22 O ATOM 1872 OE2 GLU A 127 -10.993 4.245 3.026 1.00 3.34 O ATOM 0 H GLU A 127 -9.035 -0.008 5.014 1.00 3.50 H new ATOM 0 HA GLU A 127 -7.399 0.401 2.603 1.00 54.24 H new ATOM 0 HB2 GLU A 127 -8.805 2.360 2.163 1.00 45.01 H new ATOM 0 HB3 GLU A 127 -9.733 0.874 2.189 1.00 45.01 H new ATOM 0 HG2 GLU A 127 -10.607 1.393 4.410 1.00 44.50 H new ATOM 0 HG3 GLU A 127 -9.569 2.799 4.535 1.00 44.50 H new ATOM 1879 N ILE A 128 -6.004 2.168 3.557 1.00 33.02 N ATOM 1880 CA ILE A 128 -4.990 3.017 4.127 1.00 70.30 C ATOM 1881 C ILE A 128 -4.997 4.325 3.360 1.00 35.41 C ATOM 1882 O ILE A 128 -4.849 4.320 2.154 1.00 32.43 O ATOM 1883 CB ILE A 128 -3.569 2.397 3.916 1.00 51.11 C ATOM 1884 CG1 ILE A 128 -3.545 0.879 4.192 1.00 71.10 C ATOM 1885 CG2 ILE A 128 -2.531 3.115 4.779 1.00 13.33 C ATOM 1886 CD1 ILE A 128 -3.948 0.484 5.586 1.00 5.21 C ATOM 0 H ILE A 128 -5.801 1.879 2.600 1.00 33.02 H new ATOM 0 HA ILE A 128 -5.195 3.143 5.190 1.00 70.30 H new ATOM 0 HB ILE A 128 -3.313 2.538 2.866 1.00 51.11 H new ATOM 0 HG12 ILE A 128 -4.209 0.385 3.483 1.00 71.10 H new ATOM 0 HG13 ILE A 128 -2.539 0.505 4.000 1.00 71.10 H new ATOM 0 HG21 ILE A 128 -1.550 2.668 4.616 1.00 13.33 H new ATOM 0 HG22 ILE A 128 -2.498 4.170 4.507 1.00 13.33 H new ATOM 0 HG23 ILE A 128 -2.803 3.020 5.830 1.00 13.33 H new ATOM 0 HD11 ILE A 128 -3.900 -0.600 5.685 1.00 5.21 H new ATOM 0 HD12 ILE A 128 -3.270 0.944 6.305 1.00 5.21 H new ATOM 0 HD13 ILE A 128 -4.966 0.822 5.780 1.00 5.21 H new ATOM 1898 N GLN A 129 -5.168 5.414 4.019 1.00 21.45 N ATOM 1899 CA GLN A 129 -5.104 6.674 3.352 1.00 74.52 C ATOM 1900 C GLN A 129 -3.811 7.343 3.672 1.00 4.54 C ATOM 1901 O GLN A 129 -3.549 7.708 4.828 1.00 45.14 O ATOM 1902 CB GLN A 129 -6.262 7.602 3.686 1.00 73.21 C ATOM 1903 CG GLN A 129 -7.626 7.045 3.366 1.00 63.41 C ATOM 1904 CD GLN A 129 -8.664 8.132 3.316 1.00 52.25 C ATOM 1905 OE1 GLN A 129 -8.937 8.693 2.270 1.00 23.22 O ATOM 1906 NE2 GLN A 129 -9.210 8.478 4.445 1.00 71.53 N ATOM 0 H GLN A 129 -5.354 5.464 5.021 1.00 21.45 H new ATOM 0 HA GLN A 129 -5.177 6.466 2.285 1.00 74.52 H new ATOM 0 HB2 GLN A 129 -6.223 7.843 4.748 1.00 73.21 H new ATOM 0 HB3 GLN A 129 -6.129 8.537 3.142 1.00 73.21 H new ATOM 0 HG2 GLN A 129 -7.593 6.526 2.408 1.00 63.41 H new ATOM 0 HG3 GLN A 129 -7.905 6.307 4.118 1.00 63.41 H new ATOM 0 HE21 GLN A 129 -8.960 7.988 5.304 1.00 71.53 H new ATOM 0 HE22 GLN A 129 -9.888 9.239 4.471 1.00 71.53 H new ATOM 1915 N ILE A 130 -3.005 7.474 2.669 1.00 74.43 N ATOM 1916 CA ILE A 130 -1.735 8.105 2.773 1.00 2.10 C ATOM 1917 C ILE A 130 -1.803 9.417 2.041 1.00 10.13 C ATOM 1918 O ILE A 130 -2.226 9.478 0.871 1.00 71.44 O ATOM 1919 CB ILE A 130 -0.580 7.195 2.236 1.00 23.24 C ATOM 1920 CG1 ILE A 130 -0.358 6.013 3.208 1.00 1.23 C ATOM 1921 CG2 ILE A 130 0.712 7.983 2.006 1.00 60.12 C ATOM 1922 CD1 ILE A 130 0.781 5.079 2.840 1.00 63.02 C ATOM 0 H ILE A 130 -3.220 7.135 1.731 1.00 74.43 H new ATOM 0 HA ILE A 130 -1.502 8.283 3.823 1.00 2.10 H new ATOM 0 HB ILE A 130 -0.876 6.802 1.263 1.00 23.24 H new ATOM 0 HG12 ILE A 130 -0.171 6.413 4.205 1.00 1.23 H new ATOM 0 HG13 ILE A 130 -1.279 5.432 3.265 1.00 1.23 H new ATOM 0 HG21 ILE A 130 1.486 7.312 1.634 1.00 60.12 H new ATOM 0 HG22 ILE A 130 0.532 8.771 1.275 1.00 60.12 H new ATOM 0 HG23 ILE A 130 1.039 8.428 2.946 1.00 60.12 H new ATOM 0 HD11 ILE A 130 0.854 4.285 3.583 1.00 63.02 H new ATOM 0 HD12 ILE A 130 0.591 4.643 1.859 1.00 63.02 H new ATOM 0 HD13 ILE A 130 1.716 5.638 2.813 1.00 63.02 H new ATOM 1934 N GLY A 131 -1.479 10.464 2.746 1.00 2.30 N ATOM 1935 CA GLY A 131 -1.528 11.769 2.188 1.00 53.41 C ATOM 1936 C GLY A 131 -2.939 12.280 2.209 1.00 45.45 C ATOM 1937 O GLY A 131 -3.363 12.916 3.161 1.00 62.22 O ATOM 0 H GLY A 131 -1.176 10.429 3.719 1.00 2.30 H new ATOM 0 HA2 GLY A 131 -0.880 12.440 2.752 1.00 53.41 H new ATOM 0 HA3 GLY A 131 -1.154 11.751 1.164 1.00 53.41 H new ATOM 1941 N LYS A 132 -3.670 11.942 1.180 1.00 25.11 N ATOM 1942 CA LYS A 132 -5.053 12.343 1.029 1.00 73.34 C ATOM 1943 C LYS A 132 -5.734 11.492 -0.031 1.00 14.15 C ATOM 1944 O LYS A 132 -6.720 11.896 -0.637 1.00 44.31 O ATOM 1945 CB LYS A 132 -5.150 13.858 0.733 1.00 53.54 C ATOM 1946 CG LYS A 132 -4.246 14.370 -0.385 1.00 44.24 C ATOM 1947 CD LYS A 132 -4.304 15.891 -0.454 1.00 41.44 C ATOM 1948 CE LYS A 132 -3.380 16.459 -1.520 1.00 12.00 C ATOM 1949 NZ LYS A 132 -1.952 16.185 -1.236 1.00 25.44 N ATOM 0 H LYS A 132 -3.321 11.372 0.409 1.00 25.11 H new ATOM 0 HA LYS A 132 -5.584 12.172 1.966 1.00 73.34 H new ATOM 0 HB2 LYS A 132 -6.183 14.095 0.478 1.00 53.54 H new ATOM 0 HB3 LYS A 132 -4.914 14.404 1.646 1.00 53.54 H new ATOM 0 HG2 LYS A 132 -3.220 14.046 -0.210 1.00 44.24 H new ATOM 0 HG3 LYS A 132 -4.557 13.943 -1.338 1.00 44.24 H new ATOM 0 HD2 LYS A 132 -5.328 16.204 -0.660 1.00 41.44 H new ATOM 0 HD3 LYS A 132 -4.033 16.307 0.517 1.00 41.44 H new ATOM 0 HE2 LYS A 132 -3.643 16.034 -2.489 1.00 12.00 H new ATOM 0 HE3 LYS A 132 -3.533 17.536 -1.593 1.00 12.00 H new ATOM 0 HZ1 LYS A 132 -1.361 16.635 -1.963 1.00 25.44 H new ATOM 0 HZ2 LYS A 132 -1.704 16.569 -0.302 1.00 25.44 H new ATOM 0 HZ3 LYS A 132 -1.787 15.158 -1.243 1.00 25.44 H new ATOM 1963 N PHE A 133 -5.211 10.290 -0.216 1.00 74.42 N ATOM 1964 CA PHE A 133 -5.770 9.340 -1.137 1.00 42.44 C ATOM 1965 C PHE A 133 -5.686 7.948 -0.522 1.00 34.22 C ATOM 1966 O PHE A 133 -4.919 7.742 0.426 1.00 1.05 O ATOM 1967 CB PHE A 133 -5.087 9.419 -2.512 1.00 72.40 C ATOM 1968 CG PHE A 133 -3.588 9.231 -2.531 1.00 73.23 C ATOM 1969 CD1 PHE A 133 -2.738 10.304 -2.310 1.00 13.24 C ATOM 1970 CD2 PHE A 133 -3.033 7.991 -2.804 1.00 73.42 C ATOM 1971 CE1 PHE A 133 -1.371 10.142 -2.352 1.00 52.43 C ATOM 1972 CE2 PHE A 133 -1.664 7.825 -2.855 1.00 31.21 C ATOM 1973 CZ PHE A 133 -0.829 8.902 -2.627 1.00 51.22 C ATOM 0 H PHE A 133 -4.383 9.954 0.276 1.00 74.42 H new ATOM 0 HA PHE A 133 -6.819 9.577 -1.314 1.00 42.44 H new ATOM 0 HB2 PHE A 133 -5.534 8.664 -3.159 1.00 72.40 H new ATOM 0 HB3 PHE A 133 -5.315 10.390 -2.951 1.00 72.40 H new ATOM 0 HD1 PHE A 133 -3.153 11.279 -2.102 1.00 13.24 H new ATOM 0 HD2 PHE A 133 -3.680 7.144 -2.979 1.00 73.42 H new ATOM 0 HE1 PHE A 133 -0.722 10.986 -2.170 1.00 52.43 H new ATOM 0 HE2 PHE A 133 -1.245 6.854 -3.073 1.00 31.21 H new ATOM 0 HZ PHE A 133 0.243 8.775 -2.664 1.00 51.22 H new ATOM 1983 N ARG A 134 -6.426 6.991 -1.059 1.00 54.32 N ATOM 1984 CA ARG A 134 -6.520 5.683 -0.414 1.00 12.40 C ATOM 1985 C ARG A 134 -5.878 4.551 -1.188 1.00 24.02 C ATOM 1986 O ARG A 134 -5.917 4.486 -2.432 1.00 63.45 O ATOM 1987 CB ARG A 134 -7.963 5.299 -0.065 1.00 32.32 C ATOM 1988 CG ARG A 134 -8.922 5.313 -1.237 1.00 14.33 C ATOM 1989 CD ARG A 134 -10.235 4.620 -0.893 1.00 23.45 C ATOM 1990 NE ARG A 134 -10.810 5.077 0.375 1.00 22.11 N ATOM 1991 CZ ARG A 134 -11.622 6.111 0.542 1.00 21.33 C ATOM 1992 NH1 ARG A 134 -11.793 7.000 -0.429 1.00 74.13 N ATOM 1993 NH2 ARG A 134 -12.206 6.278 1.715 1.00 15.50 N ATOM 0 H ARG A 134 -6.962 7.087 -1.922 1.00 54.32 H new ATOM 0 HA ARG A 134 -5.947 5.813 0.504 1.00 12.40 H new ATOM 0 HB2 ARG A 134 -7.963 4.302 0.375 1.00 32.32 H new ATOM 0 HB3 ARG A 134 -8.333 5.984 0.698 1.00 32.32 H new ATOM 0 HG2 ARG A 134 -9.120 6.343 -1.534 1.00 14.33 H new ATOM 0 HG3 ARG A 134 -8.461 4.818 -2.092 1.00 14.33 H new ATOM 0 HD2 ARG A 134 -10.952 4.795 -1.695 1.00 23.45 H new ATOM 0 HD3 ARG A 134 -10.069 3.544 -0.843 1.00 23.45 H new ATOM 0 HE ARG A 134 -10.561 4.548 1.211 1.00 22.11 H new ATOM 0 HH11 ARG A 134 -11.297 6.891 -1.314 1.00 74.13 H new ATOM 0 HH12 ARG A 134 -12.420 7.792 -0.290 1.00 74.13 H new ATOM 0 HH21 ARG A 134 -12.028 5.618 2.472 1.00 15.50 H new ATOM 0 HH22 ARG A 134 -12.834 7.067 1.864 1.00 15.50 H new ATOM 2007 N LEU A 135 -5.324 3.659 -0.425 1.00 42.33 N ATOM 2008 CA LEU A 135 -4.700 2.452 -0.867 1.00 72.35 C ATOM 2009 C LEU A 135 -5.476 1.323 -0.235 1.00 1.32 C ATOM 2010 O LEU A 135 -5.904 1.443 0.906 1.00 12.21 O ATOM 2011 CB LEU A 135 -3.270 2.370 -0.333 1.00 23.23 C ATOM 2012 CG LEU A 135 -2.410 3.609 -0.500 1.00 65.11 C ATOM 2013 CD1 LEU A 135 -1.072 3.413 0.171 1.00 52.41 C ATOM 2014 CD2 LEU A 135 -2.216 3.948 -1.951 1.00 14.15 C ATOM 0 H LEU A 135 -5.295 3.763 0.589 1.00 42.33 H new ATOM 0 HA LEU A 135 -4.684 2.409 -1.956 1.00 72.35 H new ATOM 0 HB2 LEU A 135 -3.316 2.128 0.729 1.00 23.23 H new ATOM 0 HB3 LEU A 135 -2.769 1.538 -0.828 1.00 23.23 H new ATOM 0 HG LEU A 135 -2.928 4.442 -0.025 1.00 65.11 H new ATOM 0 HD11 LEU A 135 -0.466 4.310 0.043 1.00 52.41 H new ATOM 0 HD12 LEU A 135 -1.222 3.225 1.234 1.00 52.41 H new ATOM 0 HD13 LEU A 135 -0.560 2.562 -0.279 1.00 52.41 H new ATOM 0 HD21 LEU A 135 -1.596 4.840 -2.036 1.00 14.15 H new ATOM 0 HD22 LEU A 135 -1.726 3.116 -2.457 1.00 14.15 H new ATOM 0 HD23 LEU A 135 -3.185 4.134 -2.414 1.00 14.15 H new ATOM 2026 N VAL A 136 -5.690 0.283 -0.942 1.00 4.31 N ATOM 2027 CA VAL A 136 -6.366 -0.862 -0.377 1.00 25.34 C ATOM 2028 C VAL A 136 -5.381 -2.007 -0.253 1.00 72.21 C ATOM 2029 O VAL A 136 -4.707 -2.371 -1.227 1.00 51.32 O ATOM 2030 CB VAL A 136 -7.610 -1.302 -1.210 1.00 63.22 C ATOM 2031 CG1 VAL A 136 -8.267 -2.544 -0.604 1.00 71.12 C ATOM 2032 CG2 VAL A 136 -8.625 -0.174 -1.284 1.00 13.12 C ATOM 0 H VAL A 136 -5.414 0.181 -1.919 1.00 4.31 H new ATOM 0 HA VAL A 136 -6.740 -0.576 0.606 1.00 25.34 H new ATOM 0 HB VAL A 136 -7.267 -1.545 -2.216 1.00 63.22 H new ATOM 0 HG11 VAL A 136 -9.131 -2.828 -1.205 1.00 71.12 H new ATOM 0 HG12 VAL A 136 -7.550 -3.365 -0.589 1.00 71.12 H new ATOM 0 HG13 VAL A 136 -8.589 -2.325 0.414 1.00 71.12 H new ATOM 0 HG21 VAL A 136 -9.486 -0.497 -1.868 1.00 13.12 H new ATOM 0 HG22 VAL A 136 -8.948 0.091 -0.277 1.00 13.12 H new ATOM 0 HG23 VAL A 136 -8.170 0.695 -1.759 1.00 13.12 H new ATOM 2042 N PHE A 137 -5.263 -2.521 0.945 1.00 62.32 N ATOM 2043 CA PHE A 137 -4.379 -3.618 1.241 1.00 70.10 C ATOM 2044 C PHE A 137 -5.169 -4.902 1.074 1.00 2.44 C ATOM 2045 O PHE A 137 -6.135 -5.131 1.787 1.00 45.15 O ATOM 2046 CB PHE A 137 -3.861 -3.470 2.683 1.00 45.10 C ATOM 2047 CG PHE A 137 -2.860 -4.503 3.123 1.00 23.24 C ATOM 2048 CD1 PHE A 137 -1.517 -4.350 2.830 1.00 62.32 C ATOM 2049 CD2 PHE A 137 -3.261 -5.612 3.848 1.00 1.53 C ATOM 2050 CE1 PHE A 137 -0.596 -5.282 3.252 1.00 2.51 C ATOM 2051 CE2 PHE A 137 -2.345 -6.549 4.269 1.00 42.34 C ATOM 2052 CZ PHE A 137 -1.010 -6.384 3.971 1.00 40.21 C ATOM 0 H PHE A 137 -5.786 -2.184 1.753 1.00 62.32 H new ATOM 0 HA PHE A 137 -3.519 -3.631 0.572 1.00 70.10 H new ATOM 0 HB2 PHE A 137 -3.409 -2.484 2.788 1.00 45.10 H new ATOM 0 HB3 PHE A 137 -4.713 -3.504 3.362 1.00 45.10 H new ATOM 0 HD1 PHE A 137 -1.188 -3.491 2.265 1.00 62.32 H new ATOM 0 HD2 PHE A 137 -4.306 -5.744 4.086 1.00 1.53 H new ATOM 0 HE1 PHE A 137 0.451 -5.150 3.020 1.00 2.51 H new ATOM 0 HE2 PHE A 137 -2.672 -7.411 4.831 1.00 42.34 H new ATOM 0 HZ PHE A 137 -0.288 -7.117 4.300 1.00 40.21 H new ATOM 2062 N LEU A 138 -4.787 -5.713 0.140 1.00 42.32 N ATOM 2063 CA LEU A 138 -5.534 -6.909 -0.171 1.00 35.05 C ATOM 2064 C LEU A 138 -4.564 -8.083 -0.163 1.00 63.31 C ATOM 2065 O LEU A 138 -3.473 -7.982 -0.711 1.00 41.45 O ATOM 2066 CB LEU A 138 -6.187 -6.703 -1.576 1.00 55.51 C ATOM 2067 CG LEU A 138 -7.357 -7.624 -2.028 1.00 30.41 C ATOM 2068 CD1 LEU A 138 -6.946 -9.074 -2.222 1.00 62.14 C ATOM 2069 CD2 LEU A 138 -8.532 -7.514 -1.070 1.00 21.10 C ATOM 0 H LEU A 138 -3.954 -5.574 -0.431 1.00 42.32 H new ATOM 0 HA LEU A 138 -6.322 -7.111 0.555 1.00 35.05 H new ATOM 0 HB2 LEU A 138 -6.547 -5.675 -1.620 1.00 55.51 H new ATOM 0 HB3 LEU A 138 -5.395 -6.795 -2.319 1.00 55.51 H new ATOM 0 HG LEU A 138 -7.666 -7.265 -3.010 1.00 30.41 H new ATOM 0 HD11 LEU A 138 -7.811 -9.658 -2.537 1.00 62.14 H new ATOM 0 HD12 LEU A 138 -6.170 -9.133 -2.986 1.00 62.14 H new ATOM 0 HD13 LEU A 138 -6.562 -9.472 -1.283 1.00 62.14 H new ATOM 0 HD21 LEU A 138 -9.338 -8.166 -1.406 1.00 21.10 H new ATOM 0 HD22 LEU A 138 -8.216 -7.813 -0.071 1.00 21.10 H new ATOM 0 HD23 LEU A 138 -8.886 -6.483 -1.045 1.00 21.10 H new ATOM 2081 N ALA A 139 -4.911 -9.162 0.493 1.00 14.23 N ATOM 2082 CA ALA A 139 -4.048 -10.320 0.472 1.00 35.24 C ATOM 2083 C ALA A 139 -4.411 -11.228 -0.685 1.00 22.41 C ATOM 2084 O ALA A 139 -5.515 -11.768 -0.745 1.00 54.32 O ATOM 2085 CB ALA A 139 -4.103 -11.074 1.785 1.00 2.30 C ATOM 0 H ALA A 139 -5.767 -9.265 1.038 1.00 14.23 H new ATOM 0 HA ALA A 139 -3.024 -9.974 0.334 1.00 35.24 H new ATOM 0 HB1 ALA A 139 -3.442 -11.940 1.735 1.00 2.30 H new ATOM 0 HB2 ALA A 139 -3.782 -10.419 2.595 1.00 2.30 H new ATOM 0 HB3 ALA A 139 -5.124 -11.407 1.971 1.00 2.30 H new ATOM 2091 N GLY A 140 -3.473 -11.420 -1.571 1.00 25.51 N ATOM 2092 CA GLY A 140 -3.701 -12.232 -2.739 1.00 23.52 C ATOM 2093 C GLY A 140 -3.375 -11.493 -4.030 1.00 34.22 C ATOM 2094 O GLY A 140 -4.280 -11.073 -4.742 1.00 14.34 O ATOM 0 H GLY A 140 -2.536 -11.023 -1.507 1.00 25.51 H new ATOM 0 HA2 GLY A 140 -3.092 -13.134 -2.676 1.00 23.52 H new ATOM 0 HA3 GLY A 140 -4.743 -12.551 -2.759 1.00 23.52 H new ATOM 2098 N PRO A 141 -2.077 -11.284 -4.342 1.00 52.21 N ATOM 2099 CA PRO A 141 -1.649 -10.632 -5.586 1.00 54.22 C ATOM 2100 C PRO A 141 -1.870 -11.540 -6.794 1.00 23.04 C ATOM 2101 O PRO A 141 -2.028 -12.758 -6.645 1.00 71.00 O ATOM 2102 CB PRO A 141 -0.144 -10.378 -5.374 1.00 52.33 C ATOM 2103 CG PRO A 141 0.090 -10.637 -3.925 1.00 21.32 C ATOM 2104 CD PRO A 141 -0.919 -11.665 -3.537 1.00 24.34 C ATOM 0 HA PRO A 141 -2.212 -9.721 -5.788 1.00 54.22 H new ATOM 0 HB2 PRO A 141 0.459 -11.039 -5.996 1.00 52.33 H new ATOM 0 HB3 PRO A 141 0.125 -9.356 -5.641 1.00 52.33 H new ATOM 0 HG2 PRO A 141 1.104 -10.996 -3.749 1.00 21.32 H new ATOM 0 HG3 PRO A 141 -0.032 -9.726 -3.339 1.00 21.32 H new ATOM 0 HD2 PRO A 141 -0.579 -12.675 -3.766 1.00 24.34 H new ATOM 0 HD3 PRO A 141 -1.139 -11.637 -2.470 1.00 24.34 H new ATOM 2112 N ALA A 142 -1.859 -10.966 -7.975 1.00 41.24 N ATOM 2113 CA ALA A 142 -2.081 -11.704 -9.216 1.00 52.13 C ATOM 2114 C ALA A 142 -0.787 -12.390 -9.679 1.00 52.35 C ATOM 2115 O ALA A 142 -0.380 -12.283 -10.836 1.00 73.33 O ATOM 2116 CB ALA A 142 -2.607 -10.759 -10.288 1.00 73.44 C ATOM 0 H ALA A 142 -1.696 -9.969 -8.112 1.00 41.24 H new ATOM 0 HA ALA A 142 -2.824 -12.481 -9.038 1.00 52.13 H new ATOM 0 HB1 ALA A 142 -2.771 -11.313 -11.212 1.00 73.44 H new ATOM 0 HB2 ALA A 142 -3.548 -10.320 -9.956 1.00 73.44 H new ATOM 0 HB3 ALA A 142 -1.879 -9.967 -10.464 1.00 73.44 H new ATOM 2122 N GLU A 143 -0.149 -13.066 -8.766 1.00 44.25 N ATOM 2123 CA GLU A 143 1.040 -13.788 -9.021 1.00 54.23 C ATOM 2124 C GLU A 143 0.720 -15.155 -9.580 1.00 11.42 C ATOM 2125 O GLU A 143 0.765 -15.328 -10.802 1.00 38.53 O ATOM 2126 CB GLU A 143 1.850 -13.884 -7.745 1.00 53.43 C ATOM 2127 CG GLU A 143 2.539 -12.585 -7.358 1.00 53.30 C ATOM 2128 CD GLU A 143 3.594 -12.162 -8.362 1.00 61.14 C ATOM 2129 OE1 GLU A 143 3.243 -11.624 -9.426 1.00 32.14 O ATOM 2130 OE2 GLU A 143 4.813 -12.373 -8.102 1.00 13.23 O ATOM 2131 OXT GLU A 143 0.372 -16.059 -8.802 1.00 38.53 O ATOM 0 H GLU A 143 -0.462 -13.124 -7.797 1.00 44.25 H new ATOM 0 HA GLU A 143 1.634 -13.263 -9.770 1.00 54.23 H new ATOM 0 HB2 GLU A 143 1.194 -14.193 -6.931 1.00 53.43 H new ATOM 0 HB3 GLU A 143 2.603 -14.664 -7.861 1.00 53.43 H new ATOM 0 HG2 GLU A 143 1.793 -11.796 -7.266 1.00 53.30 H new ATOM 0 HG3 GLU A 143 3.002 -12.702 -6.378 1.00 53.30 H new