USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 597 hydrogens (8 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 NoAdj-H: A 363 PTR HN2 : A 363 PTR N : A 362 LEU C :(H bumps) USER MOD NoAdj-H: A 363 PTR H : A 363 PTR N : A 362 LEU C :(H bumps) USER MOD NoAdj-H: A 390 HIS HD1 : A 390 HIS ND1 : A1388 ZNZN :(H bumps) USER MOD Set 1.1: A 374 LYS NZ :NH3+ -141:sc= -3.32 (180deg=-7.05!) USER MOD Set 1.2: A 381 LYS NZ :NH3+ -126:sc= -5.05! (180deg=-7.22!) USER MOD Single : A 347 HIS : no HE2:sc= -0.51 K(o=-0.51,f=-1.6) USER MOD Single : A 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 350 SER OG : rot -59:sc= 1.18 USER MOD Single : A 352 HIS : no HE2:sc= -2.82! C(o=-2.8!,f=-3.2!) USER MOD Single : A 354 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.287) USER MOD Single : A 356 THR OG1 : rot -160:sc= -1.59 USER MOD Single : A 357 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.054) USER MOD Single : A 359 GLN : amide:sc= -7.3! C(o=-7.3!,f=-15!) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 180:sc= 0 USER MOD Single : A 366 MET CE :methyl 159:sc= -0.0538 (180deg=-0.592) USER MOD Single : A 368 SER OG : rot 23:sc= 0.0446 USER MOD Single : A 369 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -9.27! C(o=-9.3!,f=-15!) USER MOD Single : A 379 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 MET CE :methyl 163:sc= -8.39! (180deg=-9.02!) USER MOD Single : A 394 THR OG1 : rot 180:sc= -0.967 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 398 THR OG1 : rot 180:sc= 0 USER MOD Single : A 401 GLN : amide:sc= -2.75! C(o=-2.8!,f=-4.8!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 413 CYS SG : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 157:sc= -0.0221 (180deg=-0.731) USER MOD Single : A 418 THR OG1 : rot 39:sc= 0.231 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 8.226 14.773 3.704 1.00 12.12 N ATOM 2 CA GLY A 345 6.809 14.583 3.446 1.00 15.22 C ATOM 3 C GLY A 345 6.463 14.936 1.998 1.00 14.22 C ATOM 4 O GLY A 345 6.167 16.090 1.690 1.00 30.24 O ATOM 0 HA2 GLY A 345 6.535 13.547 3.647 1.00 15.22 H new ATOM 0 HA3 GLY A 345 6.226 15.205 4.125 1.00 15.22 H new ATOM 8 N PRO A 346 6.512 13.895 1.125 1.00 24.31 N ATOM 9 CA PRO A 346 6.208 14.083 -0.283 1.00 51.40 C ATOM 10 C PRO A 346 4.702 14.240 -0.502 1.00 53.11 C ATOM 11 O PRO A 346 3.922 14.173 0.447 1.00 24.41 O ATOM 12 CB PRO A 346 6.785 12.861 -0.978 1.00 22.14 C ATOM 13 CG PRO A 346 6.978 11.816 0.110 1.00 45.25 C ATOM 14 CD PRO A 346 6.859 12.515 1.454 1.00 54.00 C ATOM 0 HA PRO A 346 6.643 14.997 -0.688 1.00 51.40 H new ATOM 0 HB2 PRO A 346 6.111 12.498 -1.753 1.00 22.14 H new ATOM 0 HB3 PRO A 346 7.731 13.098 -1.464 1.00 22.14 H new ATOM 0 HG2 PRO A 346 6.229 11.030 0.021 1.00 45.25 H new ATOM 0 HG3 PRO A 346 7.953 11.339 0.013 1.00 45.25 H new ATOM 0 HD2 PRO A 346 6.093 12.051 2.075 1.00 54.00 H new ATOM 0 HD3 PRO A 346 7.795 12.464 2.011 1.00 54.00 H new ATOM 22 N HIS A 347 4.337 14.446 -1.759 1.00 43.31 N ATOM 23 CA HIS A 347 2.938 14.613 -2.115 1.00 64.00 C ATOM 24 C HIS A 347 2.564 13.612 -3.210 1.00 25.54 C ATOM 25 O HIS A 347 2.323 13.997 -4.353 1.00 23.24 O ATOM 26 CB HIS A 347 2.648 16.062 -2.512 1.00 71.43 C ATOM 27 CG HIS A 347 3.490 17.080 -1.781 1.00 62.42 C ATOM 28 ND1 HIS A 347 3.633 17.085 -0.405 1.00 23.34 N ATOM 29 CD2 HIS A 347 4.232 18.124 -2.249 1.00 63.14 C ATOM 30 CE1 HIS A 347 4.427 18.091 -0.070 1.00 50.54 C ATOM 31 NE2 HIS A 347 4.797 18.735 -1.215 1.00 33.40 N ATOM 0 H HIS A 347 4.986 14.501 -2.544 1.00 43.31 H new ATOM 0 HA HIS A 347 2.311 14.402 -1.249 1.00 64.00 H new ATOM 0 HB2 HIS A 347 2.811 16.174 -3.584 1.00 71.43 H new ATOM 0 HB3 HIS A 347 1.595 16.275 -2.326 1.00 71.43 H new ATOM 0 HD1 HIS A 347 3.200 16.426 0.242 1.00 23.34 H new ATOM 0 HD2 HIS A 347 4.341 18.406 -3.286 1.00 63.14 H new ATOM 0 HE1 HIS A 347 4.729 18.355 0.933 1.00 50.54 H new ATOM 39 N MET A 348 2.528 12.345 -2.821 1.00 50.42 N ATOM 40 CA MET A 348 2.188 11.286 -3.755 1.00 75.50 C ATOM 41 C MET A 348 1.512 10.116 -3.035 1.00 41.42 C ATOM 42 O MET A 348 1.682 9.944 -1.829 1.00 61.23 O ATOM 43 CB MET A 348 3.457 10.792 -4.452 1.00 30.43 C ATOM 44 CG MET A 348 4.021 11.863 -5.388 1.00 33.42 C ATOM 45 SD MET A 348 5.175 12.899 -4.505 1.00 31.13 S ATOM 46 CE MET A 348 6.714 12.147 -5.007 1.00 71.10 C ATOM 0 H MET A 348 2.729 12.029 -1.872 1.00 50.42 H new ATOM 0 HA MET A 348 1.491 11.687 -4.491 1.00 75.50 H new ATOM 0 HB2 MET A 348 4.206 10.525 -3.706 1.00 30.43 H new ATOM 0 HB3 MET A 348 3.236 9.888 -5.019 1.00 30.43 H new ATOM 0 HG2 MET A 348 4.518 11.392 -6.236 1.00 33.42 H new ATOM 0 HG3 MET A 348 3.210 12.469 -5.791 1.00 33.42 H new ATOM 0 HE1 MET A 348 7.546 12.676 -4.542 1.00 71.10 H new ATOM 0 HE2 MET A 348 6.728 11.103 -4.695 1.00 71.10 H new ATOM 0 HE3 MET A 348 6.809 12.203 -6.091 1.00 71.10 H new ATOM 56 N GLY A 349 0.760 9.344 -3.805 1.00 63.23 N ATOM 57 CA GLY A 349 0.059 8.196 -3.256 1.00 55.02 C ATOM 58 C GLY A 349 -0.598 8.543 -1.919 1.00 14.42 C ATOM 59 O GLY A 349 -0.394 7.850 -0.924 1.00 21.51 O ATOM 0 H GLY A 349 0.621 9.491 -4.805 1.00 63.23 H new ATOM 0 HA2 GLY A 349 -0.700 7.857 -3.961 1.00 55.02 H new ATOM 0 HA3 GLY A 349 0.757 7.370 -3.119 1.00 55.02 H new ATOM 63 N SER A 350 -1.374 9.617 -1.938 1.00 53.22 N ATOM 64 CA SER A 350 -2.063 10.065 -0.739 1.00 65.03 C ATOM 65 C SER A 350 -3.441 10.620 -1.104 1.00 1.12 C ATOM 66 O SER A 350 -3.608 11.235 -2.156 1.00 11.22 O ATOM 67 CB SER A 350 -1.244 11.123 0.003 1.00 24.31 C ATOM 68 OG SER A 350 -0.038 10.585 0.539 1.00 22.04 O ATOM 0 H SER A 350 -1.541 10.190 -2.765 1.00 53.22 H new ATOM 0 HA SER A 350 -2.187 9.209 -0.076 1.00 65.03 H new ATOM 0 HB2 SER A 350 -1.005 11.940 -0.678 1.00 24.31 H new ATOM 0 HB3 SER A 350 -1.843 11.545 0.810 1.00 24.31 H new ATOM 0 HG SER A 350 -0.252 9.858 1.161 1.00 22.04 H new ATOM 74 N ASP A 351 -4.393 10.383 -0.214 1.00 32.04 N ATOM 75 CA ASP A 351 -5.752 10.852 -0.428 1.00 63.43 C ATOM 76 C ASP A 351 -5.862 12.309 0.025 1.00 23.44 C ATOM 77 O ASP A 351 -4.891 12.885 0.514 1.00 53.31 O ATOM 78 CB ASP A 351 -6.753 10.027 0.383 1.00 53.13 C ATOM 79 CG ASP A 351 -8.139 9.887 -0.251 1.00 62.20 C ATOM 80 OD1 ASP A 351 -8.343 10.236 -1.423 1.00 73.11 O ATOM 81 OD2 ASP A 351 -9.044 9.389 0.522 1.00 62.54 O ATOM 0 H ASP A 351 -4.250 9.872 0.657 1.00 32.04 H new ATOM 0 HA ASP A 351 -5.980 10.753 -1.489 1.00 63.43 H new ATOM 0 HB2 ASP A 351 -6.339 9.031 0.538 1.00 53.13 H new ATOM 0 HB3 ASP A 351 -6.864 10.483 1.367 1.00 53.13 H new ATOM 87 N HIS A 352 -7.052 12.862 -0.152 1.00 53.14 N ATOM 88 CA HIS A 352 -7.302 14.241 0.233 1.00 63.25 C ATOM 89 C HIS A 352 -8.709 14.363 0.820 1.00 51.10 C ATOM 90 O HIS A 352 -9.666 13.825 0.265 1.00 12.22 O ATOM 91 CB HIS A 352 -7.068 15.185 -0.948 1.00 41.32 C ATOM 92 CG HIS A 352 -5.620 15.559 -1.158 1.00 41.12 C ATOM 93 ND1 HIS A 352 -4.851 16.161 -0.177 1.00 53.34 N ATOM 94 CD2 HIS A 352 -4.809 15.409 -2.245 1.00 12.02 C ATOM 95 CE1 HIS A 352 -3.635 16.361 -0.663 1.00 41.01 C ATOM 96 NE2 HIS A 352 -3.611 15.895 -1.945 1.00 30.44 N ATOM 0 H HIS A 352 -7.855 12.380 -0.557 1.00 53.14 H new ATOM 0 HA HIS A 352 -6.596 14.540 1.008 1.00 63.25 H new ATOM 0 HB2 HIS A 352 -7.447 14.715 -1.856 1.00 41.32 H new ATOM 0 HB3 HIS A 352 -7.649 16.094 -0.794 1.00 41.32 H new ATOM 0 HD1 HIS A 352 -5.167 16.409 0.761 1.00 53.34 H new ATOM 0 HD2 HIS A 352 -5.094 14.969 -3.189 1.00 12.02 H new ATOM 0 HE1 HIS A 352 -2.808 16.814 -0.137 1.00 41.01 H new ATOM 104 N ILE A 353 -8.790 15.074 1.935 1.00 34.21 N ATOM 105 CA ILE A 353 -10.065 15.274 2.604 1.00 22.40 C ATOM 106 C ILE A 353 -10.314 16.773 2.780 1.00 60.11 C ATOM 107 O ILE A 353 -9.377 17.569 2.751 1.00 2.14 O ATOM 108 CB ILE A 353 -10.112 14.485 3.914 1.00 21.50 C ATOM 109 CG1 ILE A 353 -10.071 12.978 3.649 1.00 44.34 C ATOM 110 CG2 ILE A 353 -11.327 14.886 4.752 1.00 33.23 C ATOM 111 CD1 ILE A 353 -10.301 12.188 4.938 1.00 33.21 C ATOM 0 H ILE A 353 -7.994 15.519 2.392 1.00 34.21 H new ATOM 0 HA ILE A 353 -10.880 14.884 1.994 1.00 22.40 H new ATOM 0 HB ILE A 353 -9.224 14.734 4.494 1.00 21.50 H new ATOM 0 HG12 ILE A 353 -10.833 12.713 2.915 1.00 44.34 H new ATOM 0 HG13 ILE A 353 -9.107 12.707 3.219 1.00 44.34 H new ATOM 0 HG21 ILE A 353 -11.337 14.310 5.678 1.00 33.23 H new ATOM 0 HG22 ILE A 353 -11.273 15.949 4.986 1.00 33.23 H new ATOM 0 HG23 ILE A 353 -12.239 14.685 4.190 1.00 33.23 H new ATOM 0 HD11 ILE A 353 -10.267 11.120 4.721 1.00 33.21 H new ATOM 0 HD12 ILE A 353 -9.524 12.437 5.661 1.00 33.21 H new ATOM 0 HD13 ILE A 353 -11.276 12.443 5.352 1.00 33.21 H new ATOM 123 N LYS A 354 -11.582 17.113 2.958 1.00 72.42 N ATOM 124 CA LYS A 354 -11.966 18.502 3.138 1.00 15.32 C ATOM 125 C LYS A 354 -12.741 18.647 4.450 1.00 63.41 C ATOM 126 O LYS A 354 -13.408 17.710 4.887 1.00 12.41 O ATOM 127 CB LYS A 354 -12.731 19.010 1.914 1.00 43.21 C ATOM 128 CG LYS A 354 -12.461 20.497 1.677 1.00 3.52 C ATOM 129 CD LYS A 354 -13.485 21.364 2.412 1.00 10.41 C ATOM 130 CE LYS A 354 -12.909 22.746 2.726 1.00 2.45 C ATOM 131 NZ LYS A 354 -12.294 23.339 1.518 1.00 61.25 N ATOM 0 H LYS A 354 -12.357 16.450 2.981 1.00 72.42 H new ATOM 0 HA LYS A 354 -11.081 19.134 3.218 1.00 15.32 H new ATOM 0 HB2 LYS A 354 -12.437 18.438 1.034 1.00 43.21 H new ATOM 0 HB3 LYS A 354 -13.800 18.849 2.056 1.00 43.21 H new ATOM 0 HG2 LYS A 354 -11.456 20.747 2.018 1.00 3.52 H new ATOM 0 HG3 LYS A 354 -12.498 20.711 0.609 1.00 3.52 H new ATOM 0 HD2 LYS A 354 -14.382 21.470 1.802 1.00 10.41 H new ATOM 0 HD3 LYS A 354 -13.785 20.873 3.337 1.00 10.41 H new ATOM 0 HE2 LYS A 354 -13.698 23.399 3.097 1.00 2.45 H new ATOM 0 HE3 LYS A 354 -12.164 22.665 3.518 1.00 2.45 H new ATOM 0 HZ1 LYS A 354 -12.154 24.359 1.665 1.00 61.25 H new ATOM 0 HZ2 LYS A 354 -11.375 22.886 1.338 1.00 61.25 H new ATOM 0 HZ3 LYS A 354 -12.920 23.189 0.701 1.00 61.25 H new ATOM 144 N VAL A 355 -12.626 19.827 5.041 1.00 61.20 N ATOM 145 CA VAL A 355 -13.307 20.106 6.294 1.00 62.31 C ATOM 146 C VAL A 355 -14.449 21.091 6.040 1.00 12.41 C ATOM 147 O VAL A 355 -14.347 21.955 5.171 1.00 44.44 O ATOM 148 CB VAL A 355 -12.304 20.608 7.334 1.00 4.31 C ATOM 149 CG1 VAL A 355 -13.020 21.100 8.593 1.00 3.34 C ATOM 150 CG2 VAL A 355 -11.278 19.525 7.674 1.00 3.33 C ATOM 0 H VAL A 355 -12.071 20.601 4.675 1.00 61.20 H new ATOM 0 HA VAL A 355 -13.748 19.196 6.701 1.00 62.31 H new ATOM 0 HB VAL A 355 -11.768 21.453 6.902 1.00 4.31 H new ATOM 0 HG11 VAL A 355 -12.284 21.451 9.316 1.00 3.34 H new ATOM 0 HG12 VAL A 355 -13.692 21.918 8.333 1.00 3.34 H new ATOM 0 HG13 VAL A 355 -13.594 20.282 9.028 1.00 3.34 H new ATOM 0 HG21 VAL A 355 -10.577 19.908 8.416 1.00 3.33 H new ATOM 0 HG22 VAL A 355 -11.791 18.652 8.077 1.00 3.33 H new ATOM 0 HG23 VAL A 355 -10.734 19.243 6.772 1.00 3.33 H new ATOM 160 N THR A 356 -15.511 20.929 6.815 1.00 75.20 N ATOM 161 CA THR A 356 -16.672 21.794 6.685 1.00 21.40 C ATOM 162 C THR A 356 -16.905 22.571 7.982 1.00 51.54 C ATOM 163 O THR A 356 -16.089 22.513 8.900 1.00 32.02 O ATOM 164 CB THR A 356 -17.864 20.927 6.274 1.00 63.13 C ATOM 165 OG1 THR A 356 -17.940 19.935 7.294 1.00 62.45 O ATOM 166 CG2 THR A 356 -17.594 20.129 4.997 1.00 71.45 C ATOM 0 H THR A 356 -15.592 20.212 7.535 1.00 75.20 H new ATOM 0 HA THR A 356 -16.519 22.548 5.913 1.00 21.40 H new ATOM 0 HB THR A 356 -18.740 21.559 6.129 1.00 63.13 H new ATOM 0 HG1 THR A 356 -18.451 19.166 6.965 1.00 62.45 H new ATOM 0 HG21 THR A 356 -18.471 19.531 4.749 1.00 71.45 H new ATOM 0 HG22 THR A 356 -17.380 20.815 4.178 1.00 71.45 H new ATOM 0 HG23 THR A 356 -16.739 19.472 5.153 1.00 71.45 H new ATOM 174 N GLN A 357 -18.023 23.282 8.015 1.00 41.11 N ATOM 175 CA GLN A 357 -18.374 24.071 9.184 1.00 62.23 C ATOM 176 C GLN A 357 -18.925 23.167 10.288 1.00 73.30 C ATOM 177 O GLN A 357 -18.696 23.415 11.471 1.00 52.13 O ATOM 178 CB GLN A 357 -19.376 25.169 8.823 1.00 3.42 C ATOM 179 CG GLN A 357 -18.671 26.362 8.173 1.00 74.11 C ATOM 180 CD GLN A 357 -18.238 27.384 9.226 1.00 23.51 C ATOM 181 OE1 GLN A 357 -17.075 27.732 9.348 1.00 0.32 O ATOM 182 NE2 GLN A 357 -19.235 27.842 9.978 1.00 44.24 N ATOM 0 H GLN A 357 -18.697 23.328 7.251 1.00 41.11 H new ATOM 0 HA GLN A 357 -17.472 24.556 9.556 1.00 62.23 H new ATOM 0 HB2 GLN A 357 -20.128 24.771 8.142 1.00 3.42 H new ATOM 0 HB3 GLN A 357 -19.901 25.497 9.720 1.00 3.42 H new ATOM 0 HG2 GLN A 357 -17.799 26.015 7.618 1.00 74.11 H new ATOM 0 HG3 GLN A 357 -19.339 26.836 7.454 1.00 74.11 H new ATOM 0 HE21 GLN A 357 -20.186 27.508 9.822 1.00 44.24 H new ATOM 0 HE22 GLN A 357 -19.048 28.527 10.710 1.00 44.24 H new ATOM 191 N GLU A 358 -19.642 22.137 9.863 1.00 63.53 N ATOM 192 CA GLU A 358 -20.228 21.194 10.801 1.00 43.22 C ATOM 193 C GLU A 358 -19.133 20.522 11.631 1.00 23.52 C ATOM 194 O GLU A 358 -19.355 20.169 12.789 1.00 43.14 O ATOM 195 CB GLU A 358 -21.080 20.154 10.072 1.00 34.32 C ATOM 196 CG GLU A 358 -20.246 19.380 9.049 1.00 12.21 C ATOM 197 CD GLU A 358 -20.887 18.029 8.728 1.00 34.52 C ATOM 198 OE1 GLU A 358 -21.815 17.961 7.908 1.00 42.42 O ATOM 199 OE2 GLU A 358 -20.388 17.024 9.365 1.00 73.53 O ATOM 0 H GLU A 358 -19.831 21.935 8.881 1.00 63.53 H new ATOM 0 HA GLU A 358 -20.884 21.743 11.477 1.00 43.22 H new ATOM 0 HB2 GLU A 358 -21.511 19.461 10.794 1.00 34.32 H new ATOM 0 HB3 GLU A 358 -21.912 20.648 9.569 1.00 34.32 H new ATOM 0 HG2 GLU A 358 -20.149 19.967 8.135 1.00 12.21 H new ATOM 0 HG3 GLU A 358 -19.239 19.226 9.437 1.00 12.21 H new ATOM 207 N GLN A 359 -17.974 20.364 11.008 1.00 74.22 N ATOM 208 CA GLN A 359 -16.844 19.740 11.675 1.00 74.41 C ATOM 209 C GLN A 359 -16.186 20.728 12.640 1.00 62.51 C ATOM 210 O GLN A 359 -16.172 20.504 13.849 1.00 31.33 O ATOM 211 CB GLN A 359 -15.832 19.209 10.658 1.00 40.12 C ATOM 212 CG GLN A 359 -16.509 18.292 9.637 1.00 20.25 C ATOM 213 CD GLN A 359 -15.497 17.766 8.617 1.00 34.43 C ATOM 214 OE1 GLN A 359 -14.368 18.219 8.534 1.00 23.21 O ATOM 215 NE2 GLN A 359 -15.964 16.786 7.848 1.00 14.21 N ATOM 0 H GLN A 359 -17.793 20.658 10.048 1.00 74.22 H new ATOM 0 HA GLN A 359 -17.210 18.890 12.251 1.00 74.41 H new ATOM 0 HB2 GLN A 359 -15.357 20.044 10.143 1.00 40.12 H new ATOM 0 HB3 GLN A 359 -15.043 18.663 11.176 1.00 40.12 H new ATOM 0 HG2 GLN A 359 -16.981 17.455 10.151 1.00 20.25 H new ATOM 0 HG3 GLN A 359 -17.300 18.837 9.122 1.00 20.25 H new ATOM 0 HE21 GLN A 359 -16.920 16.453 7.970 1.00 14.21 H new ATOM 0 HE22 GLN A 359 -15.366 16.367 7.136 1.00 14.21 H new ATOM 224 N TYR A 360 -15.656 21.799 12.069 1.00 10.30 N ATOM 225 CA TYR A 360 -14.998 22.822 12.864 1.00 45.24 C ATOM 226 C TYR A 360 -15.748 23.066 14.174 1.00 13.33 C ATOM 227 O TYR A 360 -15.133 23.197 15.231 1.00 1.22 O ATOM 228 CB TYR A 360 -15.036 24.099 12.022 1.00 1.53 C ATOM 229 CG TYR A 360 -14.150 25.225 12.560 1.00 55.42 C ATOM 230 CD1 TYR A 360 -12.857 24.955 12.960 1.00 54.43 C ATOM 231 CD2 TYR A 360 -14.645 26.511 12.645 1.00 43.22 C ATOM 232 CE1 TYR A 360 -12.024 26.015 13.466 1.00 40.23 C ATOM 233 CE2 TYR A 360 -13.811 27.571 13.151 1.00 74.13 C ATOM 234 CZ TYR A 360 -12.542 27.271 13.536 1.00 31.31 C ATOM 235 OH TYR A 360 -11.755 28.272 14.014 1.00 70.40 O ATOM 0 H TYR A 360 -15.669 21.981 11.065 1.00 10.30 H new ATOM 0 HA TYR A 360 -13.982 22.518 13.117 1.00 45.24 H new ATOM 0 HB2 TYR A 360 -14.726 23.861 11.005 1.00 1.53 H new ATOM 0 HB3 TYR A 360 -16.065 24.455 11.966 1.00 1.53 H new ATOM 0 HD1 TYR A 360 -12.470 23.949 12.894 1.00 54.43 H new ATOM 0 HD2 TYR A 360 -15.657 26.722 12.332 1.00 43.22 H new ATOM 0 HE1 TYR A 360 -11.011 25.817 13.783 1.00 40.23 H new ATOM 0 HE2 TYR A 360 -14.185 28.581 13.223 1.00 74.13 H new ATOM 0 HH TYR A 360 -12.256 29.114 14.006 1.00 70.40 H new ATOM 245 N GLU A 361 -17.067 23.120 14.062 1.00 13.13 N ATOM 246 CA GLU A 361 -17.909 23.346 15.225 1.00 4.13 C ATOM 247 C GLU A 361 -17.721 22.219 16.243 1.00 54.01 C ATOM 248 O GLU A 361 -17.428 22.474 17.410 1.00 71.00 O ATOM 249 CB GLU A 361 -19.378 23.482 14.821 1.00 21.52 C ATOM 250 CG GLU A 361 -19.761 24.950 14.630 1.00 41.50 C ATOM 251 CD GLU A 361 -21.220 25.192 15.022 1.00 1.25 C ATOM 252 OE1 GLU A 361 -22.079 24.334 14.774 1.00 72.43 O ATOM 253 OE2 GLU A 361 -21.448 26.319 15.607 1.00 5.33 O ATOM 0 H GLU A 361 -17.574 23.011 13.183 1.00 13.13 H new ATOM 0 HA GLU A 361 -17.607 24.284 15.691 1.00 4.13 H new ATOM 0 HB2 GLU A 361 -19.557 22.933 13.897 1.00 21.52 H new ATOM 0 HB3 GLU A 361 -20.012 23.034 15.586 1.00 21.52 H new ATOM 0 HG2 GLU A 361 -19.109 25.581 15.234 1.00 41.50 H new ATOM 0 HG3 GLU A 361 -19.608 25.237 13.590 1.00 41.50 H new ATOM 261 N LEU A 362 -17.899 20.997 15.764 1.00 63.34 N ATOM 262 CA LEU A 362 -17.753 19.830 16.617 1.00 60.30 C ATOM 263 C LEU A 362 -16.370 19.850 17.270 1.00 4.42 C ATOM 264 O LEU A 362 -16.223 19.780 18.491 1.00 52.31 O ATOM 265 CB LEU A 362 -18.042 18.550 15.829 1.00 10.32 C ATOM 266 CG LEU A 362 -19.488 18.360 15.366 1.00 43.34 C ATOM 267 CD1 LEU A 362 -19.538 17.784 13.949 1.00 10.12 C ATOM 268 CD2 LEU A 362 -20.275 17.505 16.361 1.00 64.14 C ATOM 0 H LEU A 362 -18.143 20.790 14.796 1.00 63.34 H new ATOM 0 HA LEU A 362 -18.487 19.854 17.423 1.00 60.30 H new ATOM 0 HB2 LEU A 362 -17.395 18.533 14.952 1.00 10.32 H new ATOM 0 HB3 LEU A 362 -17.764 17.696 16.447 1.00 10.32 H new ATOM 0 HG LEU A 362 -19.968 19.338 15.333 1.00 43.34 H new ATOM 0 HD11 LEU A 362 -20.577 17.659 13.644 1.00 10.12 H new ATOM 0 HD12 LEU A 362 -19.037 18.466 13.261 1.00 10.12 H new ATOM 0 HD13 LEU A 362 -19.035 16.817 13.931 1.00 10.12 H new ATOM 0 HD21 LEU A 362 -21.299 17.386 16.008 1.00 64.14 H new ATOM 0 HD22 LEU A 362 -19.805 16.525 16.450 1.00 64.14 H new ATOM 0 HD23 LEU A 362 -20.282 17.994 17.335 1.00 64.14 H new HETATM 280 N PTR A 363 -15.350 19.949 16.423 1.00 0.12 N HETATM 281 CA PTR A 363 -13.969 19.980 16.891 1.00 53.15 C HETATM 282 C PTR A 363 -13.700 21.240 17.706 1.00 1.23 C HETATM 283 O PTR A 363 -12.736 21.268 18.470 1.00 51.50 O HETATM 284 CB PTR A 363 -13.006 19.912 15.704 1.00 72.54 C HETATM 285 CG PTR A 363 -12.826 18.516 15.149 1.00 3.24 C HETATM 286 CD1 PTR A 363 -11.557 18.003 14.907 1.00 14.23 C HETATM 287 CD2 PTR A 363 -13.924 17.713 14.869 1.00 24.53 C HETATM 288 CE1 PTR A 363 -11.389 16.729 14.401 1.00 51.12 C HETATM 289 CE2 PTR A 363 -13.763 16.437 14.363 1.00 1.03 C HETATM 290 CZ PTR A 363 -12.494 15.950 14.131 1.00 40.31 C HETATM 291 OH PTR A 363 -12.323 14.621 13.603 1.00 41.20 O HETATM 292 P PTR A 363 -12.400 13.328 14.590 1.00 34.41 P HETATM 293 O1P PTR A 363 -13.709 12.630 14.257 1.00 14.30 O HETATM 294 O2P PTR A 363 -12.370 13.884 16.005 1.00 65.41 O HETATM 295 O3P PTR A 363 -11.181 12.481 14.262 1.00 11.21 O HETATM 0 HE2 PTR A 363 -14.635 15.819 14.148 1.00 1.03 H new HETATM 0 HE1 PTR A 363 -10.387 16.341 14.216 1.00 51.12 H new HETATM 0 HD2 PTR A 363 -14.928 18.095 15.051 1.00 24.53 H new HETATM 0 HD1 PTR A 363 -10.681 18.616 15.120 1.00 14.23 H new HETATM 0 HB3 PTR A 363 -13.373 20.564 14.912 1.00 72.54 H new HETATM 0 HB2 PTR A 363 -12.035 20.299 16.012 1.00 72.54 H new HETATM 0 HA PTR A 363 -13.808 19.113 17.532 1.00 53.15 H new ATOM 304 N CYS A 364 -14.547 22.244 17.529 1.00 22.52 N ATOM 305 CA CYS A 364 -14.388 23.493 18.253 1.00 12.42 C ATOM 306 C CYS A 364 -14.476 23.195 19.751 1.00 5.23 C ATOM 307 O CYS A 364 -13.634 23.645 20.527 1.00 12.44 O ATOM 308 CB CYS A 364 -15.421 24.534 17.817 1.00 12.54 C ATOM 309 SG CYS A 364 -14.577 26.062 17.267 1.00 64.31 S ATOM 0 H CYS A 364 -15.345 22.217 16.895 1.00 22.52 H new ATOM 0 HA CYS A 364 -13.414 23.926 18.027 1.00 12.42 H new ATOM 0 HB2 CYS A 364 -16.032 24.135 17.007 1.00 12.54 H new ATOM 0 HB3 CYS A 364 -16.095 24.758 18.644 1.00 12.54 H new ATOM 0 HG CYS A 364 -15.463 26.938 16.897 1.00 64.31 H new ATOM 315 N GLU A 365 -15.501 22.438 20.113 1.00 40.13 N ATOM 316 CA GLU A 365 -15.709 22.074 21.504 1.00 11.51 C ATOM 317 C GLU A 365 -14.401 21.582 22.125 1.00 24.33 C ATOM 318 O GLU A 365 -13.857 22.220 23.025 1.00 15.34 O ATOM 319 CB GLU A 365 -16.810 21.020 21.637 1.00 50.45 C ATOM 320 CG GLU A 365 -17.816 21.412 22.721 1.00 73.24 C ATOM 321 CD GLU A 365 -17.602 20.587 23.991 1.00 34.50 C ATOM 322 OE1 GLU A 365 -17.478 21.155 25.086 1.00 41.10 O ATOM 323 OE2 GLU A 365 -17.568 19.309 23.812 1.00 14.43 O ATOM 0 H GLU A 365 -16.197 22.066 19.467 1.00 40.13 H new ATOM 0 HA GLU A 365 -16.035 22.962 22.046 1.00 11.51 H new ATOM 0 HB2 GLU A 365 -17.325 20.904 20.683 1.00 50.45 H new ATOM 0 HB3 GLU A 365 -16.367 20.054 21.879 1.00 50.45 H new ATOM 0 HG2 GLU A 365 -17.714 22.473 22.951 1.00 73.24 H new ATOM 0 HG3 GLU A 365 -18.831 21.262 22.352 1.00 73.24 H new ATOM 331 N MET A 366 -13.932 20.450 21.620 1.00 32.01 N ATOM 332 CA MET A 366 -12.698 19.864 22.114 1.00 4.22 C ATOM 333 C MET A 366 -11.544 20.866 22.031 1.00 63.52 C ATOM 334 O MET A 366 -10.656 20.868 22.883 1.00 73.24 O ATOM 335 CB MET A 366 -12.356 18.622 21.290 1.00 71.45 C ATOM 336 CG MET A 366 -12.242 18.965 19.803 1.00 70.32 C ATOM 337 SD MET A 366 -11.750 17.519 18.879 1.00 43.13 S ATOM 338 CE MET A 366 -13.252 16.561 18.979 1.00 74.25 C ATOM 0 H MET A 366 -14.385 19.923 20.873 1.00 32.01 H new ATOM 0 HA MET A 366 -12.841 19.589 23.159 1.00 4.22 H new ATOM 0 HB2 MET A 366 -11.417 18.195 21.642 1.00 71.45 H new ATOM 0 HB3 MET A 366 -13.125 17.863 21.434 1.00 71.45 H new ATOM 0 HG2 MET A 366 -13.198 19.336 19.433 1.00 70.32 H new ATOM 0 HG3 MET A 366 -11.514 19.763 19.660 1.00 70.32 H new ATOM 0 HE1 MET A 366 -13.268 15.825 18.175 1.00 74.25 H new ATOM 0 HE2 MET A 366 -13.294 16.050 19.941 1.00 74.25 H new ATOM 0 HE3 MET A 366 -14.113 17.223 18.882 1.00 74.25 H new ATOM 348 N GLY A 367 -11.593 21.692 20.997 1.00 54.23 N ATOM 349 CA GLY A 367 -10.563 22.696 20.791 1.00 53.21 C ATOM 350 C GLY A 367 -9.410 22.135 19.956 1.00 10.43 C ATOM 351 O GLY A 367 -8.246 22.263 20.334 1.00 54.53 O ATOM 0 H GLY A 367 -12.330 21.687 20.292 1.00 54.23 H new ATOM 0 HA2 GLY A 367 -10.991 23.564 20.290 1.00 53.21 H new ATOM 0 HA3 GLY A 367 -10.186 23.038 21.755 1.00 53.21 H new ATOM 355 N SER A 368 -9.773 21.526 18.837 1.00 33.14 N ATOM 356 CA SER A 368 -8.783 20.945 17.946 1.00 14.13 C ATOM 357 C SER A 368 -9.239 21.090 16.493 1.00 60.42 C ATOM 358 O SER A 368 -10.313 21.625 16.226 1.00 55.44 O ATOM 359 CB SER A 368 -8.537 19.473 18.281 1.00 31.24 C ATOM 360 OG SER A 368 -7.587 19.316 19.331 1.00 4.04 O ATOM 0 H SER A 368 -10.739 21.422 18.527 1.00 33.14 H new ATOM 0 HA SER A 368 -7.844 21.482 18.081 1.00 14.13 H new ATOM 0 HB2 SER A 368 -9.478 19.005 18.570 1.00 31.24 H new ATOM 0 HB3 SER A 368 -8.183 18.953 17.391 1.00 31.24 H new ATOM 0 HG SER A 368 -7.554 20.135 19.868 1.00 4.04 H new ATOM 366 N THR A 369 -8.399 20.602 15.592 1.00 42.33 N ATOM 367 CA THR A 369 -8.702 20.670 14.172 1.00 3.52 C ATOM 368 C THR A 369 -8.799 19.263 13.580 1.00 53.44 C ATOM 369 O THR A 369 -8.304 18.303 14.167 1.00 71.20 O ATOM 370 CB THR A 369 -7.635 21.539 13.502 1.00 11.24 C ATOM 371 OG1 THR A 369 -7.377 22.568 14.454 1.00 34.01 O ATOM 372 CG2 THR A 369 -8.172 22.288 12.281 1.00 60.23 C ATOM 0 H THR A 369 -7.509 20.158 15.817 1.00 42.33 H new ATOM 0 HA THR A 369 -9.674 21.130 13.996 1.00 3.52 H new ATOM 0 HB THR A 369 -6.793 20.914 13.204 1.00 11.24 H new ATOM 0 HG1 THR A 369 -6.695 23.176 14.101 1.00 34.01 H new ATOM 0 HG21 THR A 369 -7.375 22.889 11.843 1.00 60.23 H new ATOM 0 HG22 THR A 369 -8.532 21.571 11.543 1.00 60.23 H new ATOM 0 HG23 THR A 369 -8.992 22.939 12.585 1.00 60.23 H new ATOM 380 N PHE A 370 -9.441 19.186 12.423 1.00 14.22 N ATOM 381 CA PHE A 370 -9.610 17.913 11.745 1.00 74.54 C ATOM 382 C PHE A 370 -8.256 17.276 11.428 1.00 24.32 C ATOM 383 O PHE A 370 -7.928 16.212 11.953 1.00 41.45 O ATOM 384 CB PHE A 370 -10.345 18.198 10.433 1.00 2.53 C ATOM 385 CG PHE A 370 -11.275 17.070 9.982 1.00 45.20 C ATOM 386 CD1 PHE A 370 -10.784 16.039 9.244 1.00 24.42 C ATOM 387 CD2 PHE A 370 -12.592 17.099 10.319 1.00 61.13 C ATOM 388 CE1 PHE A 370 -11.646 14.991 8.825 1.00 14.44 C ATOM 389 CE2 PHE A 370 -13.455 16.052 9.900 1.00 63.21 C ATOM 390 CZ PHE A 370 -12.964 15.020 9.162 1.00 2.12 C ATOM 0 H PHE A 370 -9.850 19.985 11.939 1.00 14.22 H new ATOM 0 HA PHE A 370 -10.166 17.224 12.382 1.00 74.54 H new ATOM 0 HB2 PHE A 370 -10.928 19.112 10.546 1.00 2.53 H new ATOM 0 HB3 PHE A 370 -9.610 18.384 9.650 1.00 2.53 H new ATOM 0 HD1 PHE A 370 -9.738 16.017 8.976 1.00 24.42 H new ATOM 0 HD2 PHE A 370 -12.982 17.918 10.905 1.00 61.13 H new ATOM 0 HE1 PHE A 370 -11.256 14.172 8.239 1.00 14.44 H new ATOM 0 HE2 PHE A 370 -14.501 16.075 10.167 1.00 63.21 H new ATOM 0 HZ PHE A 370 -13.620 14.224 8.844 1.00 2.12 H new ATOM 400 N GLN A 371 -7.505 17.953 10.572 1.00 2.12 N ATOM 401 CA GLN A 371 -6.193 17.467 10.180 1.00 61.12 C ATOM 402 C GLN A 371 -5.280 17.358 11.402 1.00 23.45 C ATOM 403 O GLN A 371 -4.383 16.517 11.438 1.00 23.35 O ATOM 404 CB GLN A 371 -5.572 18.368 9.110 1.00 23.43 C ATOM 405 CG GLN A 371 -5.418 19.801 9.622 1.00 11.14 C ATOM 406 CD GLN A 371 -6.563 20.686 9.126 1.00 51.32 C ATOM 407 OE1 GLN A 371 -6.585 21.139 7.993 1.00 14.52 O ATOM 408 NE2 GLN A 371 -7.510 20.906 10.034 1.00 42.34 N ATOM 0 H GLN A 371 -7.780 18.834 10.139 1.00 2.12 H new ATOM 0 HA GLN A 371 -6.309 16.473 9.749 1.00 61.12 H new ATOM 0 HB2 GLN A 371 -4.598 17.975 8.819 1.00 23.43 H new ATOM 0 HB3 GLN A 371 -6.197 18.362 8.217 1.00 23.43 H new ATOM 0 HG2 GLN A 371 -5.399 19.802 10.712 1.00 11.14 H new ATOM 0 HG3 GLN A 371 -4.465 20.211 9.286 1.00 11.14 H new ATOM 0 HE21 GLN A 371 -7.429 20.496 10.965 1.00 42.34 H new ATOM 0 HE22 GLN A 371 -8.317 21.485 9.800 1.00 42.34 H new ATOM 417 N LEU A 372 -5.540 18.220 12.374 1.00 24.44 N ATOM 418 CA LEU A 372 -4.752 18.230 13.596 1.00 52.54 C ATOM 419 C LEU A 372 -4.886 16.877 14.296 1.00 74.32 C ATOM 420 O LEU A 372 -5.972 16.310 14.421 1.00 42.52 O ATOM 421 CB LEU A 372 -5.144 19.419 14.475 1.00 11.43 C ATOM 422 CG LEU A 372 -4.566 19.425 15.892 1.00 41.02 C ATOM 423 CD1 LEU A 372 -5.416 18.571 16.834 1.00 11.14 C ATOM 424 CD2 LEU A 372 -3.100 18.987 15.887 1.00 2.33 C ATOM 0 H LEU A 372 -6.285 18.916 12.341 1.00 24.44 H new ATOM 0 HA LEU A 372 -3.695 18.366 13.367 1.00 52.54 H new ATOM 0 HB2 LEU A 372 -4.832 20.335 13.973 1.00 11.43 H new ATOM 0 HB3 LEU A 372 -6.231 19.449 14.547 1.00 11.43 H new ATOM 0 HG LEU A 372 -4.596 20.447 16.269 1.00 41.02 H new ATOM 0 HD11 LEU A 372 -4.983 18.592 17.834 1.00 11.14 H new ATOM 0 HD12 LEU A 372 -6.431 18.968 16.869 1.00 11.14 H new ATOM 0 HD13 LEU A 372 -5.441 17.543 16.471 1.00 11.14 H new ATOM 0 HD21 LEU A 372 -2.713 19.000 16.906 1.00 2.33 H new ATOM 0 HD22 LEU A 372 -3.023 17.978 15.482 1.00 2.33 H new ATOM 0 HD23 LEU A 372 -2.518 19.671 15.269 1.00 2.33 H new ATOM 436 N CYS A 373 -3.748 16.366 14.754 1.00 63.21 N ATOM 437 CA CYS A 373 -3.708 15.082 15.444 1.00 10.52 C ATOM 438 C CYS A 373 -4.188 15.224 16.886 1.00 41.22 C ATOM 439 O CYS A 373 -3.795 16.175 17.560 1.00 22.22 O ATOM 440 CB CYS A 373 -2.289 14.511 15.422 1.00 72.14 C ATOM 441 SG CYS A 373 -1.071 15.509 16.338 1.00 13.13 S ATOM 0 H CYS A 373 -2.840 16.822 14.660 1.00 63.21 H new ATOM 0 HA CYS A 373 -4.376 14.397 14.922 1.00 10.52 H new ATOM 0 HB2 CYS A 373 -2.307 13.505 15.841 1.00 72.14 H new ATOM 0 HB3 CYS A 373 -1.962 14.419 14.386 1.00 72.14 H new ATOM 446 N LYS A 374 -5.018 14.288 17.321 1.00 62.40 N ATOM 447 CA LYS A 374 -5.540 14.321 18.677 1.00 43.34 C ATOM 448 C LYS A 374 -4.634 13.491 19.588 1.00 31.40 C ATOM 449 O LYS A 374 -5.083 12.971 20.609 1.00 41.23 O ATOM 450 CB LYS A 374 -7.005 13.880 18.698 1.00 44.21 C ATOM 451 CG LYS A 374 -7.892 14.892 17.970 1.00 34.30 C ATOM 452 CD LYS A 374 -7.478 15.030 16.504 1.00 44.02 C ATOM 453 CE LYS A 374 -8.623 15.593 15.661 1.00 55.03 C ATOM 454 NZ LYS A 374 -9.764 14.650 15.641 1.00 13.32 N ATOM 0 H LYS A 374 -5.342 13.501 16.758 1.00 62.40 H new ATOM 0 HA LYS A 374 -5.533 15.340 19.063 1.00 43.34 H new ATOM 0 HB2 LYS A 374 -7.101 12.902 18.227 1.00 44.21 H new ATOM 0 HB3 LYS A 374 -7.341 13.772 19.729 1.00 44.21 H new ATOM 0 HG2 LYS A 374 -8.934 14.577 18.029 1.00 34.30 H new ATOM 0 HG3 LYS A 374 -7.824 15.862 18.463 1.00 34.30 H new ATOM 0 HD2 LYS A 374 -6.610 15.685 16.428 1.00 44.02 H new ATOM 0 HD3 LYS A 374 -7.179 14.057 16.114 1.00 44.02 H new ATOM 0 HE2 LYS A 374 -8.944 16.553 16.067 1.00 55.03 H new ATOM 0 HE3 LYS A 374 -8.277 15.777 14.644 1.00 55.03 H new ATOM 0 HZ1 LYS A 374 -10.187 14.636 14.691 1.00 13.32 H new ATOM 0 HZ2 LYS A 374 -9.430 13.696 15.885 1.00 13.32 H new ATOM 0 HZ3 LYS A 374 -10.478 14.954 16.333 1.00 13.32 H new ATOM 467 N ILE A 375 -3.375 13.391 19.186 1.00 14.04 N ATOM 468 CA ILE A 375 -2.403 12.632 19.954 1.00 3.32 C ATOM 469 C ILE A 375 -1.435 13.599 20.640 1.00 62.31 C ATOM 470 O ILE A 375 -1.288 13.574 21.861 1.00 70.31 O ATOM 471 CB ILE A 375 -1.711 11.595 19.067 1.00 0.31 C ATOM 472 CG1 ILE A 375 -2.728 10.623 18.465 1.00 24.03 C ATOM 473 CG2 ILE A 375 -0.606 10.867 19.835 1.00 61.24 C ATOM 474 CD1 ILE A 375 -2.036 9.367 17.932 1.00 22.34 C ATOM 0 H ILE A 375 -3.006 13.823 18.339 1.00 14.04 H new ATOM 0 HA ILE A 375 -2.899 12.064 20.741 1.00 3.32 H new ATOM 0 HB ILE A 375 -1.235 12.117 18.237 1.00 0.31 H new ATOM 0 HG12 ILE A 375 -3.462 10.345 19.221 1.00 24.03 H new ATOM 0 HG13 ILE A 375 -3.272 11.114 17.658 1.00 24.03 H new ATOM 0 HG21 ILE A 375 -0.130 10.136 19.182 1.00 61.24 H new ATOM 0 HG22 ILE A 375 0.137 11.588 20.174 1.00 61.24 H new ATOM 0 HG23 ILE A 375 -1.037 10.358 20.697 1.00 61.24 H new ATOM 0 HD11 ILE A 375 -2.781 8.693 17.510 1.00 22.34 H new ATOM 0 HD12 ILE A 375 -1.320 9.646 17.159 1.00 22.34 H new ATOM 0 HD13 ILE A 375 -1.514 8.866 18.747 1.00 22.34 H new ATOM 486 N CYS A 376 -0.799 14.427 19.824 1.00 13.35 N ATOM 487 CA CYS A 376 0.150 15.400 20.337 1.00 5.12 C ATOM 488 C CYS A 376 -0.477 16.791 20.223 1.00 33.42 C ATOM 489 O CYS A 376 -0.076 17.716 20.927 1.00 41.44 O ATOM 490 CB CYS A 376 1.493 15.318 19.608 1.00 41.50 C ATOM 491 SG CYS A 376 2.150 13.624 19.396 1.00 34.53 S ATOM 0 H CYS A 376 -0.922 14.444 18.812 1.00 13.35 H new ATOM 0 HA CYS A 376 0.365 15.185 21.384 1.00 5.12 H new ATOM 0 HB2 CYS A 376 1.385 15.776 18.625 1.00 41.50 H new ATOM 0 HB3 CYS A 376 2.225 15.910 20.157 1.00 41.50 H new ATOM 496 N ALA A 377 -1.452 16.894 19.332 1.00 71.52 N ATOM 497 CA ALA A 377 -2.139 18.156 19.117 1.00 74.43 C ATOM 498 C ALA A 377 -1.120 19.225 18.721 1.00 42.53 C ATOM 499 O ALA A 377 -1.233 20.379 19.133 1.00 73.13 O ATOM 500 CB ALA A 377 -2.921 18.533 20.377 1.00 62.22 C ATOM 0 H ALA A 377 -1.783 16.124 18.751 1.00 71.52 H new ATOM 0 HA ALA A 377 -2.858 18.068 18.302 1.00 74.43 H new ATOM 0 HB1 ALA A 377 -3.436 19.480 20.216 1.00 62.22 H new ATOM 0 HB2 ALA A 377 -3.652 17.755 20.598 1.00 62.22 H new ATOM 0 HB3 ALA A 377 -2.233 18.633 21.216 1.00 62.22 H new ATOM 506 N GLU A 378 -0.147 18.805 17.926 1.00 23.21 N ATOM 507 CA GLU A 378 0.892 19.713 17.470 1.00 62.51 C ATOM 508 C GLU A 378 1.049 19.619 15.951 1.00 42.02 C ATOM 509 O GLU A 378 1.165 20.638 15.271 1.00 21.24 O ATOM 510 CB GLU A 378 2.219 19.427 18.177 1.00 53.32 C ATOM 511 CG GLU A 378 3.095 20.680 18.224 1.00 3.42 C ATOM 512 CD GLU A 378 4.536 20.328 18.598 1.00 64.50 C ATOM 513 OE1 GLU A 378 5.172 19.512 17.914 1.00 22.31 O ATOM 514 OE2 GLU A 378 4.994 20.935 19.640 1.00 52.21 O ATOM 0 H GLU A 378 -0.056 17.848 17.586 1.00 23.21 H new ATOM 0 HA GLU A 378 0.595 20.731 17.723 1.00 62.51 H new ATOM 0 HB2 GLU A 378 2.027 19.075 19.190 1.00 53.32 H new ATOM 0 HB3 GLU A 378 2.748 18.628 17.657 1.00 53.32 H new ATOM 0 HG2 GLU A 378 3.078 21.176 17.254 1.00 3.42 H new ATOM 0 HG3 GLU A 378 2.689 21.385 18.950 1.00 3.42 H new ATOM 522 N ASN A 379 1.048 18.387 15.463 1.00 41.45 N ATOM 523 CA ASN A 379 1.189 18.148 14.036 1.00 20.33 C ATOM 524 C ASN A 379 -0.148 17.664 13.470 1.00 25.34 C ATOM 525 O ASN A 379 -1.157 17.656 14.173 1.00 21.12 O ATOM 526 CB ASN A 379 2.238 17.069 13.760 1.00 32.43 C ATOM 527 CG ASN A 379 3.482 17.279 14.625 1.00 1.14 C ATOM 528 OD1 ASN A 379 4.012 18.372 14.740 1.00 23.13 O ATOM 529 ND2 ASN A 379 3.917 16.175 15.226 1.00 72.24 N ATOM 0 H ASN A 379 0.952 17.544 16.030 1.00 41.45 H new ATOM 0 HA ASN A 379 1.499 19.081 13.566 1.00 20.33 H new ATOM 0 HB2 ASN A 379 1.814 16.085 13.960 1.00 32.43 H new ATOM 0 HB3 ASN A 379 2.516 17.088 12.706 1.00 32.43 H new ATOM 0 HD21 ASN A 379 4.741 16.212 15.826 1.00 72.24 H new ATOM 0 HD22 ASN A 379 3.426 15.292 15.087 1.00 72.24 H new ATOM 536 N ASP A 380 -0.111 17.272 12.205 1.00 21.33 N ATOM 537 CA ASP A 380 -1.307 16.787 11.537 1.00 43.41 C ATOM 538 C ASP A 380 -1.324 15.258 11.576 1.00 45.01 C ATOM 539 O ASP A 380 -0.371 14.635 12.043 1.00 74.10 O ATOM 540 CB ASP A 380 -1.333 17.223 10.071 1.00 41.33 C ATOM 541 CG ASP A 380 -0.706 18.590 9.791 1.00 5.52 C ATOM 542 OD1 ASP A 380 0.197 18.719 8.951 1.00 41.23 O ATOM 543 OD2 ASP A 380 -1.187 19.564 10.488 1.00 62.23 O ATOM 0 H ASP A 380 0.728 17.280 11.625 1.00 21.33 H new ATOM 0 HA ASP A 380 -2.173 17.202 12.053 1.00 43.41 H new ATOM 0 HB2 ASP A 380 -0.813 16.473 9.475 1.00 41.33 H new ATOM 0 HB3 ASP A 380 -2.368 17.239 9.731 1.00 41.33 H new ATOM 549 N LYS A 381 -2.416 14.697 11.079 1.00 52.21 N ATOM 550 CA LYS A 381 -2.570 13.253 11.051 1.00 64.41 C ATOM 551 C LYS A 381 -1.764 12.681 9.883 1.00 42.04 C ATOM 552 O LYS A 381 -0.980 11.750 10.061 1.00 5.42 O ATOM 553 CB LYS A 381 -4.051 12.872 11.021 1.00 31.51 C ATOM 554 CG LYS A 381 -4.760 13.326 12.298 1.00 10.34 C ATOM 555 CD LYS A 381 -6.190 13.782 11.999 1.00 23.15 C ATOM 556 CE LYS A 381 -7.099 13.564 13.211 1.00 41.54 C ATOM 557 NZ LYS A 381 -8.517 13.505 12.790 1.00 22.02 N ATOM 0 H LYS A 381 -3.203 15.217 10.692 1.00 52.21 H new ATOM 0 HA LYS A 381 -2.170 12.810 11.963 1.00 64.41 H new ATOM 0 HB2 LYS A 381 -4.530 13.327 10.154 1.00 31.51 H new ATOM 0 HB3 LYS A 381 -4.150 11.792 10.910 1.00 31.51 H new ATOM 0 HG2 LYS A 381 -4.778 12.508 13.018 1.00 10.34 H new ATOM 0 HG3 LYS A 381 -4.203 14.143 12.757 1.00 10.34 H new ATOM 0 HD2 LYS A 381 -6.189 14.837 11.725 1.00 23.15 H new ATOM 0 HD3 LYS A 381 -6.580 13.231 11.143 1.00 23.15 H new ATOM 0 HE2 LYS A 381 -6.825 12.638 13.717 1.00 41.54 H new ATOM 0 HE3 LYS A 381 -6.960 14.373 13.928 1.00 41.54 H new ATOM 0 HZ1 LYS A 381 -9.070 14.197 13.335 1.00 22.02 H new ATOM 0 HZ2 LYS A 381 -8.588 13.726 11.776 1.00 22.02 H new ATOM 0 HZ3 LYS A 381 -8.891 12.550 12.963 1.00 22.02 H new ATOM 570 N ASP A 382 -1.985 13.262 8.713 1.00 71.14 N ATOM 571 CA ASP A 382 -1.289 12.822 7.515 1.00 14.11 C ATOM 572 C ASP A 382 -1.361 11.297 7.421 1.00 64.35 C ATOM 573 O ASP A 382 -0.490 10.667 6.822 1.00 22.01 O ATOM 574 CB ASP A 382 0.186 13.225 7.556 1.00 71.10 C ATOM 575 CG ASP A 382 0.800 13.290 8.956 1.00 60.22 C ATOM 576 OD1 ASP A 382 1.344 12.297 9.461 1.00 31.33 O ATOM 577 OD2 ASP A 382 0.702 14.435 9.541 1.00 5.14 O ATOM 0 H ASP A 382 -2.636 14.034 8.569 1.00 71.14 H new ATOM 0 HA ASP A 382 -1.767 13.291 6.655 1.00 14.11 H new ATOM 0 HB2 ASP A 382 0.758 12.516 6.958 1.00 71.10 H new ATOM 0 HB3 ASP A 382 0.294 14.201 7.083 1.00 71.10 H new ATOM 583 N VAL A 383 -2.406 10.747 8.020 1.00 31.43 N ATOM 584 CA VAL A 383 -2.602 9.307 8.011 1.00 33.12 C ATOM 585 C VAL A 383 -4.087 8.998 8.215 1.00 62.51 C ATOM 586 O VAL A 383 -4.890 9.905 8.425 1.00 34.32 O ATOM 587 CB VAL A 383 -1.705 8.650 9.062 1.00 60.20 C ATOM 588 CG1 VAL A 383 -2.452 8.470 10.385 1.00 25.12 C ATOM 589 CG2 VAL A 383 -1.156 7.314 8.556 1.00 3.51 C ATOM 0 H VAL A 383 -3.127 11.272 8.515 1.00 31.43 H new ATOM 0 HA VAL A 383 -2.312 8.888 7.048 1.00 33.12 H new ATOM 0 HB VAL A 383 -0.859 9.313 9.243 1.00 60.20 H new ATOM 0 HG11 VAL A 383 -1.792 8.001 11.115 1.00 25.12 H new ATOM 0 HG12 VAL A 383 -2.772 9.443 10.758 1.00 25.12 H new ATOM 0 HG13 VAL A 383 -3.325 7.837 10.227 1.00 25.12 H new ATOM 0 HG21 VAL A 383 -0.522 6.868 9.322 1.00 3.51 H new ATOM 0 HG22 VAL A 383 -1.984 6.641 8.334 1.00 3.51 H new ATOM 0 HG23 VAL A 383 -0.571 7.480 7.652 1.00 3.51 H new ATOM 599 N LYS A 384 -4.406 7.714 8.145 1.00 22.54 N ATOM 600 CA LYS A 384 -5.780 7.273 8.320 1.00 45.24 C ATOM 601 C LYS A 384 -5.792 5.784 8.672 1.00 15.42 C ATOM 602 O LYS A 384 -4.842 5.064 8.373 1.00 25.24 O ATOM 603 CB LYS A 384 -6.614 7.620 7.085 1.00 10.00 C ATOM 604 CG LYS A 384 -7.944 6.864 7.092 1.00 14.34 C ATOM 605 CD LYS A 384 -8.781 7.215 5.860 1.00 22.31 C ATOM 606 CE LYS A 384 -10.261 6.910 6.098 1.00 72.24 C ATOM 607 NZ LYS A 384 -11.110 7.740 5.214 1.00 64.03 N ATOM 0 H LYS A 384 -3.737 6.965 7.969 1.00 22.54 H new ATOM 0 HA LYS A 384 -6.248 7.801 9.151 1.00 45.24 H new ATOM 0 HB2 LYS A 384 -6.802 8.693 7.058 1.00 10.00 H new ATOM 0 HB3 LYS A 384 -6.055 7.372 6.183 1.00 10.00 H new ATOM 0 HG2 LYS A 384 -7.756 5.791 7.115 1.00 14.34 H new ATOM 0 HG3 LYS A 384 -8.501 7.109 7.996 1.00 14.34 H new ATOM 0 HD2 LYS A 384 -8.658 8.271 5.621 1.00 22.31 H new ATOM 0 HD3 LYS A 384 -8.423 6.649 5.000 1.00 22.31 H new ATOM 0 HE2 LYS A 384 -10.455 5.854 5.912 1.00 72.24 H new ATOM 0 HE3 LYS A 384 -10.515 7.102 7.141 1.00 72.24 H new ATOM 0 HZ1 LYS A 384 -12.111 7.520 5.388 1.00 64.03 H new ATOM 0 HZ2 LYS A 384 -10.937 8.746 5.411 1.00 64.03 H new ATOM 0 HZ3 LYS A 384 -10.879 7.537 4.220 1.00 64.03 H new ATOM 620 N ILE A 385 -6.881 5.368 9.303 1.00 63.22 N ATOM 621 CA ILE A 385 -7.030 3.978 9.699 1.00 20.14 C ATOM 622 C ILE A 385 -8.320 3.416 9.097 1.00 4.15 C ATOM 623 O ILE A 385 -9.322 4.123 8.998 1.00 64.50 O ATOM 624 CB ILE A 385 -6.952 3.844 11.221 1.00 33.35 C ATOM 625 CG1 ILE A 385 -5.752 4.612 11.779 1.00 30.51 C ATOM 626 CG2 ILE A 385 -6.937 2.373 11.642 1.00 33.31 C ATOM 627 CD1 ILE A 385 -4.440 3.905 11.432 1.00 40.10 C ATOM 0 H ILE A 385 -7.668 5.969 9.549 1.00 63.22 H new ATOM 0 HA ILE A 385 -6.208 3.379 9.307 1.00 20.14 H new ATOM 0 HB ILE A 385 -7.848 4.293 11.649 1.00 33.35 H new ATOM 0 HG12 ILE A 385 -5.743 5.624 11.373 1.00 30.51 H new ATOM 0 HG13 ILE A 385 -5.845 4.703 12.861 1.00 30.51 H new ATOM 0 HG21 ILE A 385 -6.881 2.306 12.729 1.00 33.31 H new ATOM 0 HG22 ILE A 385 -7.848 1.886 11.295 1.00 33.31 H new ATOM 0 HG23 ILE A 385 -6.071 1.878 11.203 1.00 33.31 H new ATOM 0 HD11 ILE A 385 -3.603 4.471 11.840 1.00 40.10 H new ATOM 0 HD12 ILE A 385 -4.443 2.902 11.860 1.00 40.10 H new ATOM 0 HD13 ILE A 385 -4.339 3.837 10.349 1.00 40.10 H new ATOM 639 N GLU A 386 -8.252 2.150 8.712 1.00 54.43 N ATOM 640 CA GLU A 386 -9.402 1.486 8.122 1.00 32.43 C ATOM 641 C GLU A 386 -9.542 0.069 8.683 1.00 25.02 C ATOM 642 O GLU A 386 -8.594 -0.474 9.250 1.00 74.25 O ATOM 643 CB GLU A 386 -9.300 1.463 6.596 1.00 43.31 C ATOM 644 CG GLU A 386 -10.134 2.585 5.974 1.00 71.21 C ATOM 645 CD GLU A 386 -10.187 2.448 4.451 1.00 53.51 C ATOM 646 OE1 GLU A 386 -9.256 2.882 3.757 1.00 63.03 O ATOM 647 OE2 GLU A 386 -11.243 1.867 3.992 1.00 34.21 O ATOM 0 H GLU A 386 -7.419 1.567 8.797 1.00 54.43 H new ATOM 0 HA GLU A 386 -10.297 2.051 8.385 1.00 32.43 H new ATOM 0 HB2 GLU A 386 -8.258 1.571 6.296 1.00 43.31 H new ATOM 0 HB3 GLU A 386 -9.642 0.499 6.220 1.00 43.31 H new ATOM 0 HG2 GLU A 386 -11.145 2.560 6.381 1.00 71.21 H new ATOM 0 HG3 GLU A 386 -9.707 3.552 6.241 1.00 71.21 H new ATOM 655 N PRO A 387 -10.762 -0.504 8.501 1.00 5.25 N ATOM 656 CA PRO A 387 -11.829 0.209 7.820 1.00 22.20 C ATOM 657 C PRO A 387 -12.431 1.288 8.722 1.00 33.44 C ATOM 658 O PRO A 387 -13.186 2.157 8.287 1.00 30.35 O ATOM 659 CB PRO A 387 -12.831 -0.865 7.428 1.00 44.15 C ATOM 660 CG PRO A 387 -12.519 -2.067 8.304 1.00 4.45 C ATOM 661 CD PRO A 387 -11.156 -1.840 8.938 1.00 2.12 C ATOM 0 HA PRO A 387 -11.479 0.750 6.940 1.00 22.20 H new ATOM 0 HB2 PRO A 387 -13.853 -0.522 7.586 1.00 44.15 H new ATOM 0 HB3 PRO A 387 -12.739 -1.118 6.372 1.00 44.15 H new ATOM 0 HG2 PRO A 387 -13.282 -2.188 9.073 1.00 4.45 H new ATOM 0 HG3 PRO A 387 -12.517 -2.981 7.711 1.00 4.45 H new ATOM 0 HD2 PRO A 387 -11.210 -1.901 10.025 1.00 2.12 H new ATOM 0 HD3 PRO A 387 -10.437 -2.592 8.611 1.00 2.12 H new ATOM 669 N CYS A 388 -12.077 1.212 10.002 1.00 75.23 N ATOM 670 CA CYS A 388 -12.567 2.166 10.989 1.00 53.23 C ATOM 671 C CYS A 388 -12.682 3.563 10.386 1.00 44.33 C ATOM 672 O CYS A 388 -13.796 4.033 10.162 1.00 72.11 O ATOM 673 CB CYS A 388 -11.638 2.198 12.204 1.00 52.04 C ATOM 674 SG CYS A 388 -9.889 1.871 11.810 1.00 34.14 S ATOM 0 H CYS A 388 -11.452 0.499 10.379 1.00 75.23 H new ATOM 0 HA CYS A 388 -13.559 1.844 11.307 1.00 53.23 H new ATOM 0 HB2 CYS A 388 -11.715 3.175 12.682 1.00 52.04 H new ATOM 0 HB3 CYS A 388 -11.980 1.460 12.930 1.00 52.04 H new ATOM 679 N GLY A 389 -11.540 4.190 10.139 1.00 32.55 N ATOM 680 CA GLY A 389 -11.528 5.525 9.566 1.00 24.25 C ATOM 681 C GLY A 389 -10.909 6.532 10.538 1.00 51.44 C ATOM 682 O GLY A 389 -11.068 7.740 10.369 1.00 42.42 O ATOM 0 H GLY A 389 -10.617 3.798 10.325 1.00 32.55 H new ATOM 0 HA2 GLY A 389 -10.964 5.520 8.634 1.00 24.25 H new ATOM 0 HA3 GLY A 389 -12.546 5.829 9.321 1.00 24.25 H new ATOM 686 N HIS A 390 -10.217 5.998 11.533 1.00 1.31 N ATOM 687 CA HIS A 390 -9.574 6.836 12.531 1.00 22.23 C ATOM 688 C HIS A 390 -8.349 7.517 11.917 1.00 12.35 C ATOM 689 O HIS A 390 -7.695 6.954 11.041 1.00 2.32 O ATOM 690 CB HIS A 390 -9.236 6.025 13.784 1.00 4.31 C ATOM 691 CG HIS A 390 -10.391 5.214 14.321 1.00 4.10 C ATOM 692 ND1 HIS A 390 -10.286 3.867 14.620 1.00 63.23 N ATOM 693 CD2 HIS A 390 -11.674 5.574 14.610 1.00 31.14 C ATOM 694 CE1 HIS A 390 -11.459 3.445 15.067 1.00 73.11 C ATOM 695 NE2 HIS A 390 -12.319 4.504 15.060 1.00 45.21 N ATOM 0 H HIS A 390 -10.087 4.996 11.670 1.00 1.31 H new ATOM 0 HA HIS A 390 -10.260 7.620 12.850 1.00 22.23 H new ATOM 0 HB2 HIS A 390 -8.408 5.353 13.557 1.00 4.31 H new ATOM 0 HB3 HIS A 390 -8.890 6.705 14.562 1.00 4.31 H new ATOM 0 HD2 HIS A 390 -12.094 6.562 14.493 1.00 31.14 H new ATOM 0 HE1 HIS A 390 -11.694 2.439 15.382 1.00 73.11 H new ATOM 0 HE2 HIS A 390 -13.296 4.478 15.352 1.00 45.21 H new ATOM 703 N LEU A 391 -8.076 8.720 12.402 1.00 73.10 N ATOM 704 CA LEU A 391 -6.942 9.484 11.912 1.00 1.41 C ATOM 705 C LEU A 391 -5.978 9.757 13.069 1.00 71.42 C ATOM 706 O LEU A 391 -6.373 9.716 14.233 1.00 21.11 O ATOM 707 CB LEU A 391 -7.418 10.751 11.197 1.00 23.41 C ATOM 708 CG LEU A 391 -8.797 10.671 10.539 1.00 3.20 C ATOM 709 CD1 LEU A 391 -9.326 12.067 10.205 1.00 41.21 C ATOM 710 CD2 LEU A 391 -8.766 9.760 9.310 1.00 52.50 C ATOM 0 H LEU A 391 -8.621 9.184 13.129 1.00 73.10 H new ATOM 0 HA LEU A 391 -6.391 8.912 11.165 1.00 1.41 H new ATOM 0 HB2 LEU A 391 -7.428 11.569 11.917 1.00 23.41 H new ATOM 0 HB3 LEU A 391 -6.686 11.009 10.431 1.00 23.41 H new ATOM 0 HG LEU A 391 -9.491 10.226 11.252 1.00 3.20 H new ATOM 0 HD11 LEU A 391 -10.307 11.982 9.738 1.00 41.21 H new ATOM 0 HD12 LEU A 391 -9.409 12.653 11.120 1.00 41.21 H new ATOM 0 HD13 LEU A 391 -8.639 12.562 9.518 1.00 41.21 H new ATOM 0 HD21 LEU A 391 -9.759 9.721 8.861 1.00 52.50 H new ATOM 0 HD22 LEU A 391 -8.055 10.153 8.584 1.00 52.50 H new ATOM 0 HD23 LEU A 391 -8.463 8.757 9.609 1.00 52.50 H new ATOM 722 N MET A 392 -4.733 10.028 12.708 1.00 43.32 N ATOM 723 CA MET A 392 -3.709 10.307 13.701 1.00 15.21 C ATOM 724 C MET A 392 -2.397 10.723 13.034 1.00 3.11 C ATOM 725 O MET A 392 -2.266 10.649 11.813 1.00 23.34 O ATOM 726 CB MET A 392 -3.475 9.061 14.557 1.00 71.33 C ATOM 727 CG MET A 392 -2.694 8.000 13.778 1.00 74.02 C ATOM 728 SD MET A 392 -2.805 6.426 14.611 1.00 34.44 S ATOM 729 CE MET A 392 -4.578 6.223 14.656 1.00 33.14 C ATOM 0 H MET A 392 -4.409 10.060 11.741 1.00 43.32 H new ATOM 0 HA MET A 392 -4.052 11.130 14.328 1.00 15.21 H new ATOM 0 HB2 MET A 392 -2.926 9.333 15.459 1.00 71.33 H new ATOM 0 HB3 MET A 392 -4.432 8.651 14.878 1.00 71.33 H new ATOM 0 HG2 MET A 392 -3.091 7.914 12.766 1.00 74.02 H new ATOM 0 HG3 MET A 392 -1.650 8.299 13.686 1.00 74.02 H new ATOM 0 HE1 MET A 392 -4.820 5.180 14.862 1.00 33.14 H new ATOM 0 HE2 MET A 392 -4.997 6.854 15.440 1.00 33.14 H new ATOM 0 HE3 MET A 392 -5.002 6.511 13.694 1.00 33.14 H new ATOM 739 N CYS A 393 -1.458 11.152 13.865 1.00 61.11 N ATOM 740 CA CYS A 393 -0.160 11.580 13.371 1.00 71.20 C ATOM 741 C CYS A 393 0.766 10.362 13.337 1.00 50.43 C ATOM 742 O CYS A 393 1.047 9.763 14.373 1.00 24.22 O ATOM 743 CB CYS A 393 0.421 12.715 14.216 1.00 13.14 C ATOM 744 SG CYS A 393 0.398 12.416 16.022 1.00 45.44 S ATOM 0 H CYS A 393 -1.570 11.212 14.877 1.00 61.11 H new ATOM 0 HA CYS A 393 -0.266 11.983 12.364 1.00 71.20 H new ATOM 0 HB2 CYS A 393 1.450 12.891 13.904 1.00 13.14 H new ATOM 0 HB3 CYS A 393 -0.136 13.628 14.006 1.00 13.14 H new ATOM 749 N THR A 394 1.214 10.033 12.134 1.00 2.51 N ATOM 750 CA THR A 394 2.103 8.898 11.951 1.00 12.43 C ATOM 751 C THR A 394 3.305 9.006 12.891 1.00 64.21 C ATOM 752 O THR A 394 3.689 8.027 13.529 1.00 73.51 O ATOM 753 CB THR A 394 2.491 8.835 10.473 1.00 74.03 C ATOM 754 OG1 THR A 394 1.243 8.751 9.790 1.00 52.43 O ATOM 755 CG2 THR A 394 3.202 7.530 10.109 1.00 3.14 C ATOM 0 H THR A 394 0.978 10.533 11.277 1.00 2.51 H new ATOM 0 HA THR A 394 1.609 7.962 12.212 1.00 12.43 H new ATOM 0 HB THR A 394 3.136 9.680 10.231 1.00 74.03 H new ATOM 0 HG1 THR A 394 1.401 8.708 8.824 1.00 52.43 H new ATOM 0 HG21 THR A 394 3.455 7.537 9.049 1.00 3.14 H new ATOM 0 HG22 THR A 394 4.113 7.435 10.699 1.00 3.14 H new ATOM 0 HG23 THR A 394 2.544 6.687 10.319 1.00 3.14 H new ATOM 763 N SER A 395 3.867 10.204 12.946 1.00 3.42 N ATOM 764 CA SER A 395 5.019 10.453 13.797 1.00 34.42 C ATOM 765 C SER A 395 4.694 10.069 15.242 1.00 14.33 C ATOM 766 O SER A 395 5.581 9.681 16.000 1.00 62.31 O ATOM 767 CB SER A 395 5.454 11.917 13.722 1.00 53.44 C ATOM 768 OG SER A 395 6.076 12.226 12.477 1.00 11.02 O ATOM 0 H SER A 395 3.546 11.014 12.415 1.00 3.42 H new ATOM 0 HA SER A 395 5.846 9.839 13.441 1.00 34.42 H new ATOM 0 HB2 SER A 395 4.586 12.561 13.863 1.00 53.44 H new ATOM 0 HB3 SER A 395 6.146 12.132 14.536 1.00 53.44 H new ATOM 0 HG SER A 395 6.338 13.170 12.468 1.00 11.02 H new ATOM 774 N CYS A 396 3.419 10.192 15.581 1.00 54.22 N ATOM 775 CA CYS A 396 2.965 9.864 16.922 1.00 62.54 C ATOM 776 C CYS A 396 2.784 8.347 17.009 1.00 34.10 C ATOM 777 O CYS A 396 3.244 7.717 17.960 1.00 60.22 O ATOM 778 CB CYS A 396 1.682 10.614 17.285 1.00 62.23 C ATOM 779 SG CYS A 396 1.549 12.295 16.574 1.00 21.11 S ATOM 0 H CYS A 396 2.686 10.514 14.950 1.00 54.22 H new ATOM 0 HA CYS A 396 3.711 10.183 17.650 1.00 62.54 H new ATOM 0 HB2 CYS A 396 0.827 10.025 16.952 1.00 62.23 H new ATOM 0 HB3 CYS A 396 1.615 10.687 18.370 1.00 62.23 H new ATOM 784 N LEU A 397 2.112 7.805 16.004 1.00 34.42 N ATOM 785 CA LEU A 397 1.864 6.374 15.956 1.00 74.34 C ATOM 786 C LEU A 397 3.124 5.627 16.395 1.00 23.44 C ATOM 787 O LEU A 397 3.039 4.590 17.051 1.00 33.42 O ATOM 788 CB LEU A 397 1.358 5.964 14.571 1.00 53.31 C ATOM 789 CG LEU A 397 1.435 4.472 14.243 1.00 74.20 C ATOM 790 CD1 LEU A 397 2.885 4.029 14.039 1.00 52.44 C ATOM 791 CD2 LEU A 397 0.726 3.638 15.313 1.00 43.23 C ATOM 0 H LEU A 397 1.732 8.331 15.217 1.00 34.42 H new ATOM 0 HA LEU A 397 1.072 6.102 16.654 1.00 74.34 H new ATOM 0 HB2 LEU A 397 0.320 6.283 14.476 1.00 53.31 H new ATOM 0 HB3 LEU A 397 1.930 6.511 13.821 1.00 53.31 H new ATOM 0 HG LEU A 397 0.911 4.302 13.302 1.00 74.20 H new ATOM 0 HD11 LEU A 397 2.911 2.964 13.807 1.00 52.44 H new ATOM 0 HD12 LEU A 397 3.325 4.591 13.215 1.00 52.44 H new ATOM 0 HD13 LEU A 397 3.454 4.216 14.950 1.00 52.44 H new ATOM 0 HD21 LEU A 397 0.795 2.581 15.056 1.00 43.23 H new ATOM 0 HD22 LEU A 397 1.200 3.808 16.280 1.00 43.23 H new ATOM 0 HD23 LEU A 397 -0.323 3.930 15.366 1.00 43.23 H new ATOM 803 N THR A 398 4.266 6.183 16.017 1.00 75.14 N ATOM 804 CA THR A 398 5.542 5.582 16.364 1.00 43.33 C ATOM 805 C THR A 398 5.706 5.520 17.884 1.00 65.55 C ATOM 806 O THR A 398 5.992 4.459 18.437 1.00 1.04 O ATOM 807 CB THR A 398 6.645 6.380 15.666 1.00 44.32 C ATOM 808 OG1 THR A 398 7.544 5.384 15.185 1.00 34.01 O ATOM 809 CG2 THR A 398 7.487 7.198 16.648 1.00 41.24 C ATOM 0 H THR A 398 4.334 7.044 15.474 1.00 75.14 H new ATOM 0 HA THR A 398 5.600 4.549 16.020 1.00 43.33 H new ATOM 0 HB THR A 398 6.198 7.046 14.928 1.00 44.32 H new ATOM 0 HG1 THR A 398 8.290 5.815 14.717 1.00 34.01 H new ATOM 0 HG21 THR A 398 8.255 7.745 16.101 1.00 41.24 H new ATOM 0 HG22 THR A 398 6.846 7.903 17.177 1.00 41.24 H new ATOM 0 HG23 THR A 398 7.961 6.529 17.366 1.00 41.24 H new ATOM 817 N ALA A 399 5.519 6.669 18.515 1.00 52.11 N ATOM 818 CA ALA A 399 5.643 6.758 19.960 1.00 54.21 C ATOM 819 C ALA A 399 4.782 5.672 20.609 1.00 1.40 C ATOM 820 O ALA A 399 5.035 5.271 21.744 1.00 71.32 O ATOM 821 CB ALA A 399 5.252 8.164 20.420 1.00 2.21 C ATOM 0 H ALA A 399 5.282 7.547 18.052 1.00 52.11 H new ATOM 0 HA ALA A 399 6.675 6.589 20.268 1.00 54.21 H new ATOM 0 HB1 ALA A 399 5.345 8.231 21.504 1.00 2.21 H new ATOM 0 HB2 ALA A 399 5.911 8.896 19.953 1.00 2.21 H new ATOM 0 HB3 ALA A 399 4.221 8.368 20.131 1.00 2.21 H new ATOM 827 N TRP A 400 3.783 5.228 19.861 1.00 51.01 N ATOM 828 CA TRP A 400 2.884 4.196 20.349 1.00 14.53 C ATOM 829 C TRP A 400 3.530 2.837 20.075 1.00 2.15 C ATOM 830 O TRP A 400 3.870 2.108 21.006 1.00 14.34 O ATOM 831 CB TRP A 400 1.496 4.336 19.720 1.00 0.12 C ATOM 832 CG TRP A 400 0.711 3.025 19.647 1.00 63.33 C ATOM 833 CD1 TRP A 400 0.467 2.269 18.568 1.00 64.44 C ATOM 834 CD2 TRP A 400 0.074 2.342 20.746 1.00 34.54 C ATOM 835 NE1 TRP A 400 -0.278 1.153 18.890 1.00 61.41 N ATOM 836 CE2 TRP A 400 -0.525 1.198 20.257 1.00 2.41 C ATOM 837 CE3 TRP A 400 0.005 2.678 22.110 1.00 51.32 C ATOM 838 CZ2 TRP A 400 -1.235 0.300 21.062 1.00 24.24 C ATOM 839 CZ3 TRP A 400 -0.708 1.770 22.901 1.00 32.13 C ATOM 840 CH2 TRP A 400 -1.316 0.615 22.424 1.00 74.10 C ATOM 0 H TRP A 400 3.576 5.564 18.920 1.00 51.01 H new ATOM 0 HA TRP A 400 2.729 4.297 21.423 1.00 14.53 H new ATOM 0 HB2 TRP A 400 0.920 5.061 20.294 1.00 0.12 H new ATOM 0 HB3 TRP A 400 1.604 4.740 18.713 1.00 0.12 H new ATOM 0 HD1 TRP A 400 0.810 2.504 17.571 1.00 64.44 H new ATOM 0 HE1 TRP A 400 -0.590 0.428 18.244 1.00 61.41 H new ATOM 0 HE3 TRP A 400 0.466 3.567 22.515 1.00 51.32 H new ATOM 0 HZ2 TRP A 400 -1.696 -0.588 20.655 1.00 24.24 H new ATOM 0 HZ3 TRP A 400 -0.792 1.982 23.957 1.00 32.13 H new ATOM 0 HH2 TRP A 400 -1.849 -0.037 23.101 1.00 74.10 H new ATOM 851 N GLN A 401 3.681 2.537 18.794 1.00 62.01 N ATOM 852 CA GLN A 401 4.281 1.278 18.386 1.00 40.03 C ATOM 853 C GLN A 401 5.627 1.080 19.085 1.00 22.14 C ATOM 854 O GLN A 401 6.146 -0.034 19.136 1.00 23.02 O ATOM 855 CB GLN A 401 4.439 1.213 16.865 1.00 13.33 C ATOM 856 CG GLN A 401 3.080 1.061 16.179 1.00 33.21 C ATOM 857 CD GLN A 401 2.845 -0.387 15.744 1.00 74.10 C ATOM 858 OE1 GLN A 401 3.759 -1.189 15.646 1.00 33.33 O ATOM 859 NE2 GLN A 401 1.572 -0.676 15.489 1.00 15.51 N ATOM 0 H GLN A 401 3.398 3.144 18.025 1.00 62.01 H new ATOM 0 HA GLN A 401 3.616 0.468 18.685 1.00 40.03 H new ATOM 0 HB2 GLN A 401 4.932 2.117 16.508 1.00 13.33 H new ATOM 0 HB3 GLN A 401 5.081 0.374 16.598 1.00 13.33 H new ATOM 0 HG2 GLN A 401 2.288 1.373 16.860 1.00 33.21 H new ATOM 0 HG3 GLN A 401 3.031 1.718 15.311 1.00 33.21 H new ATOM 0 HE21 GLN A 401 0.856 0.043 15.591 1.00 15.51 H new ATOM 0 HE22 GLN A 401 1.312 -1.616 15.192 1.00 15.51 H new ATOM 868 N GLU A 402 6.154 2.178 19.607 1.00 31.14 N ATOM 869 CA GLU A 402 7.430 2.139 20.302 1.00 74.20 C ATOM 870 C GLU A 402 7.557 0.843 21.106 1.00 51.14 C ATOM 871 O GLU A 402 8.433 0.024 20.834 1.00 21.40 O ATOM 872 CB GLU A 402 7.600 3.363 21.204 1.00 24.51 C ATOM 873 CG GLU A 402 8.446 4.437 20.517 1.00 62.50 C ATOM 874 CD GLU A 402 9.919 4.025 20.465 1.00 72.41 C ATOM 875 OE1 GLU A 402 10.409 3.610 19.404 1.00 24.23 O ATOM 876 OE2 GLU A 402 10.559 4.149 21.578 1.00 64.32 O ATOM 0 H GLU A 402 5.721 3.100 19.563 1.00 31.14 H new ATOM 0 HA GLU A 402 8.227 2.162 19.559 1.00 74.20 H new ATOM 0 HB2 GLU A 402 6.622 3.772 21.456 1.00 24.51 H new ATOM 0 HB3 GLU A 402 8.073 3.066 22.140 1.00 24.51 H new ATOM 0 HG2 GLU A 402 8.076 4.605 19.506 1.00 62.50 H new ATOM 0 HG3 GLU A 402 8.347 5.381 21.053 1.00 62.50 H new ATOM 884 N SER A 403 6.670 0.698 22.079 1.00 12.40 N ATOM 885 CA SER A 403 6.672 -0.484 22.924 1.00 50.30 C ATOM 886 C SER A 403 5.331 -1.212 22.809 1.00 42.31 C ATOM 887 O SER A 403 5.251 -2.415 23.050 1.00 24.21 O ATOM 888 CB SER A 403 6.954 -0.118 24.382 1.00 13.45 C ATOM 889 OG SER A 403 8.346 -0.156 24.683 1.00 2.21 O ATOM 0 H SER A 403 5.945 1.380 22.301 1.00 12.40 H new ATOM 0 HA SER A 403 7.468 -1.146 22.584 1.00 50.30 H new ATOM 0 HB2 SER A 403 6.566 0.880 24.587 1.00 13.45 H new ATOM 0 HB3 SER A 403 6.422 -0.807 25.038 1.00 13.45 H new ATOM 0 HG SER A 403 8.484 0.085 25.623 1.00 2.21 H new ATOM 895 N ASP A 404 4.311 -0.451 22.440 1.00 10.13 N ATOM 896 CA ASP A 404 2.978 -1.008 22.290 1.00 35.43 C ATOM 897 C ASP A 404 2.858 -1.671 20.917 1.00 62.54 C ATOM 898 O ASP A 404 3.231 -2.831 20.749 1.00 64.52 O ATOM 899 CB ASP A 404 1.910 0.084 22.382 1.00 23.13 C ATOM 900 CG ASP A 404 1.575 0.543 23.803 1.00 64.21 C ATOM 901 OD1 ASP A 404 0.879 -0.158 24.553 1.00 40.53 O ATOM 902 OD2 ASP A 404 2.068 1.687 24.137 1.00 41.45 O ATOM 0 H ASP A 404 4.381 0.547 22.241 1.00 10.13 H new ATOM 0 HA ASP A 404 2.824 -1.731 23.091 1.00 35.43 H new ATOM 0 HB2 ASP A 404 2.244 0.947 21.807 1.00 23.13 H new ATOM 0 HB3 ASP A 404 0.998 -0.280 21.909 1.00 23.13 H new ATOM 908 N GLY A 405 2.337 -0.906 19.969 1.00 34.40 N ATOM 909 CA GLY A 405 2.163 -1.405 18.615 1.00 25.23 C ATOM 910 C GLY A 405 1.051 -2.454 18.555 1.00 12.24 C ATOM 911 O GLY A 405 1.078 -3.346 17.709 1.00 44.43 O ATOM 0 H GLY A 405 2.030 0.056 20.112 1.00 34.40 H new ATOM 0 HA2 GLY A 405 1.924 -0.578 17.947 1.00 25.23 H new ATOM 0 HA3 GLY A 405 3.098 -1.840 18.261 1.00 25.23 H new ATOM 915 N GLN A 406 0.098 -2.312 19.465 1.00 40.30 N ATOM 916 CA GLN A 406 -1.022 -3.236 19.526 1.00 1.42 C ATOM 917 C GLN A 406 -2.171 -2.736 18.648 1.00 42.10 C ATOM 918 O GLN A 406 -3.222 -2.349 19.156 1.00 72.21 O ATOM 919 CB GLN A 406 -1.485 -3.441 20.970 1.00 62.11 C ATOM 920 CG GLN A 406 -0.842 -4.688 21.580 1.00 64.34 C ATOM 921 CD GLN A 406 -1.304 -4.893 23.024 1.00 61.33 C ATOM 922 OE1 GLN A 406 -1.530 -3.955 23.769 1.00 13.45 O ATOM 923 NE2 GLN A 406 -1.431 -6.170 23.375 1.00 51.20 N ATOM 0 H GLN A 406 0.078 -1.571 20.166 1.00 40.30 H new ATOM 0 HA GLN A 406 -0.692 -4.202 19.144 1.00 1.42 H new ATOM 0 HB2 GLN A 406 -1.227 -2.566 21.566 1.00 62.11 H new ATOM 0 HB3 GLN A 406 -2.570 -3.537 20.998 1.00 62.11 H new ATOM 0 HG2 GLN A 406 -1.101 -5.563 20.984 1.00 64.34 H new ATOM 0 HG3 GLN A 406 0.243 -4.593 21.552 1.00 64.34 H new ATOM 0 HE21 GLN A 406 -1.225 -6.907 22.701 1.00 51.20 H new ATOM 0 HE22 GLN A 406 -1.734 -6.412 24.318 1.00 51.20 H new ATOM 932 N GLY A 407 -1.931 -2.760 17.345 1.00 32.31 N ATOM 933 CA GLY A 407 -2.933 -2.315 16.392 1.00 42.45 C ATOM 934 C GLY A 407 -3.210 -0.818 16.546 1.00 3.23 C ATOM 935 O GLY A 407 -2.428 -0.099 17.168 1.00 73.41 O ATOM 0 H GLY A 407 -1.057 -3.081 16.927 1.00 32.31 H new ATOM 0 HA2 GLY A 407 -2.593 -2.523 15.378 1.00 42.45 H new ATOM 0 HA3 GLY A 407 -3.856 -2.876 16.540 1.00 42.45 H new ATOM 939 N CYS A 408 -4.324 -0.392 15.970 1.00 32.03 N ATOM 940 CA CYS A 408 -4.714 1.006 16.037 1.00 41.35 C ATOM 941 C CYS A 408 -4.840 1.401 17.509 1.00 32.54 C ATOM 942 O CYS A 408 -5.510 0.718 18.283 1.00 13.50 O ATOM 943 CB CYS A 408 -6.007 1.270 15.262 1.00 2.41 C ATOM 944 SG CYS A 408 -6.277 3.019 14.794 1.00 71.44 S ATOM 0 H CYS A 408 -4.969 -0.991 15.454 1.00 32.03 H new ATOM 0 HA CYS A 408 -3.950 1.622 15.562 1.00 41.35 H new ATOM 0 HB2 CYS A 408 -6.002 0.663 14.357 1.00 2.41 H new ATOM 0 HB3 CYS A 408 -6.851 0.935 15.866 1.00 2.41 H new ATOM 949 N PRO A 409 -4.168 2.529 17.862 1.00 51.10 N ATOM 950 CA PRO A 409 -4.199 3.022 19.228 1.00 4.33 C ATOM 951 C PRO A 409 -5.542 3.683 19.543 1.00 75.30 C ATOM 952 O PRO A 409 -5.782 4.102 20.674 1.00 13.12 O ATOM 953 CB PRO A 409 -3.026 3.985 19.325 1.00 34.04 C ATOM 954 CG PRO A 409 -2.667 4.349 17.894 1.00 3.42 C ATOM 955 CD PRO A 409 -3.364 3.362 16.973 1.00 52.35 C ATOM 0 HA PRO A 409 -4.105 2.224 19.965 1.00 4.33 H new ATOM 0 HB2 PRO A 409 -3.295 4.872 19.898 1.00 34.04 H new ATOM 0 HB3 PRO A 409 -2.181 3.521 19.834 1.00 34.04 H new ATOM 0 HG2 PRO A 409 -2.981 5.368 17.669 1.00 3.42 H new ATOM 0 HG3 PRO A 409 -1.587 4.309 17.749 1.00 3.42 H new ATOM 0 HD2 PRO A 409 -3.987 3.876 16.241 1.00 52.35 H new ATOM 0 HD3 PRO A 409 -2.643 2.764 16.415 1.00 52.35 H new ATOM 963 N PHE A 410 -6.384 3.754 18.522 1.00 2.30 N ATOM 964 CA PHE A 410 -7.697 4.356 18.676 1.00 53.45 C ATOM 965 C PHE A 410 -8.748 3.299 19.022 1.00 40.44 C ATOM 966 O PHE A 410 -9.611 3.530 19.867 1.00 3.24 O ATOM 967 CB PHE A 410 -8.056 4.995 17.332 1.00 35.42 C ATOM 968 CG PHE A 410 -7.554 6.431 17.171 1.00 25.33 C ATOM 969 CD1 PHE A 410 -6.256 6.732 17.447 1.00 72.34 C ATOM 970 CD2 PHE A 410 -8.404 7.406 16.753 1.00 41.10 C ATOM 971 CE1 PHE A 410 -5.789 8.064 17.297 1.00 14.52 C ATOM 972 CE2 PHE A 410 -7.937 8.739 16.604 1.00 72.24 C ATOM 973 CZ PHE A 410 -6.640 9.040 16.879 1.00 62.12 C ATOM 0 H PHE A 410 -6.182 3.405 17.585 1.00 2.30 H new ATOM 0 HA PHE A 410 -7.678 5.088 19.483 1.00 53.45 H new ATOM 0 HB2 PHE A 410 -7.642 4.384 16.529 1.00 35.42 H new ATOM 0 HB3 PHE A 410 -9.140 4.985 17.214 1.00 35.42 H new ATOM 0 HD1 PHE A 410 -5.581 5.957 17.780 1.00 72.34 H new ATOM 0 HD2 PHE A 410 -9.434 7.167 16.534 1.00 41.10 H new ATOM 0 HE1 PHE A 410 -4.758 8.303 17.515 1.00 14.52 H new ATOM 0 HE2 PHE A 410 -8.612 9.514 16.272 1.00 72.24 H new ATOM 0 HZ PHE A 410 -6.285 10.054 16.766 1.00 62.12 H new ATOM 983 N CYS A 411 -8.641 2.162 18.350 1.00 3.41 N ATOM 984 CA CYS A 411 -9.571 1.069 18.576 1.00 2.10 C ATOM 985 C CYS A 411 -8.814 -0.072 19.259 1.00 71.03 C ATOM 986 O CYS A 411 -9.344 -1.172 19.405 1.00 22.45 O ATOM 987 CB CYS A 411 -10.236 0.615 17.275 1.00 34.24 C ATOM 988 SG CYS A 411 -9.427 1.217 15.748 1.00 33.34 S ATOM 0 H CYS A 411 -7.924 1.974 17.649 1.00 3.41 H new ATOM 0 HA CYS A 411 -10.381 1.405 19.223 1.00 2.10 H new ATOM 0 HB2 CYS A 411 -10.255 -0.475 17.254 1.00 34.24 H new ATOM 0 HB3 CYS A 411 -11.273 0.951 17.277 1.00 34.24 H new ATOM 993 N ARG A 412 -7.587 0.230 19.658 1.00 73.51 N ATOM 994 CA ARG A 412 -6.753 -0.757 20.322 1.00 65.33 C ATOM 995 C ARG A 412 -6.951 -2.135 19.686 1.00 52.33 C ATOM 996 O ARG A 412 -6.823 -3.157 20.358 1.00 43.13 O ATOM 997 CB ARG A 412 -7.079 -0.840 21.814 1.00 22.41 C ATOM 998 CG ARG A 412 -6.381 0.278 22.591 1.00 21.20 C ATOM 999 CD ARG A 412 -4.870 0.253 22.350 1.00 72.14 C ATOM 1000 NE ARG A 412 -4.166 0.889 23.485 1.00 23.33 N ATOM 1001 CZ ARG A 412 -3.941 0.284 24.671 1.00 61.40 C ATOM 1002 NH1 ARG A 412 -4.365 -0.980 24.887 1.00 45.05 N ATOM 1003 NH2 ARG A 412 -3.301 0.946 25.616 1.00 1.14 N ATOM 0 H ARG A 412 -7.151 1.144 19.534 1.00 73.51 H new ATOM 0 HA ARG A 412 -5.715 -0.445 20.205 1.00 65.33 H new ATOM 0 HB2 ARG A 412 -8.157 -0.770 21.959 1.00 22.41 H new ATOM 0 HB3 ARG A 412 -6.767 -1.809 22.205 1.00 22.41 H new ATOM 0 HG2 ARG A 412 -6.785 1.244 22.288 1.00 21.20 H new ATOM 0 HG3 ARG A 412 -6.585 0.168 23.656 1.00 21.20 H new ATOM 0 HD2 ARG A 412 -4.529 -0.776 22.230 1.00 72.14 H new ATOM 0 HD3 ARG A 412 -4.632 0.777 21.424 1.00 72.14 H new ATOM 0 HE ARG A 412 -3.830 1.844 23.364 1.00 23.33 H new ATOM 0 HH11 ARG A 412 -4.859 -1.485 24.151 1.00 45.05 H new ATOM 0 HH12 ARG A 412 -4.191 -1.430 25.786 1.00 45.05 H new ATOM 0 HH21 ARG A 412 -2.984 1.900 25.445 1.00 1.14 H new ATOM 0 HH22 ARG A 412 -3.123 0.503 26.518 1.00 1.14 H new ATOM 1016 N CYS A 413 -7.261 -2.117 18.398 1.00 72.33 N ATOM 1017 CA CYS A 413 -7.479 -3.352 17.664 1.00 62.24 C ATOM 1018 C CYS A 413 -6.557 -3.354 16.443 1.00 63.22 C ATOM 1019 O CYS A 413 -6.039 -2.310 16.049 1.00 15.24 O ATOM 1020 CB CYS A 413 -8.947 -3.525 17.270 1.00 32.11 C ATOM 1021 SG CYS A 413 -9.804 -4.580 18.496 1.00 64.01 S ATOM 0 H CYS A 413 -7.366 -1.267 17.844 1.00 72.33 H new ATOM 0 HA CYS A 413 -7.239 -4.203 18.301 1.00 62.24 H new ATOM 0 HB2 CYS A 413 -9.434 -2.551 17.212 1.00 32.11 H new ATOM 0 HB3 CYS A 413 -9.016 -3.975 16.280 1.00 32.11 H new ATOM 0 HG CYS A 413 -11.050 -4.719 18.153 1.00 64.01 H new ATOM 1027 N GLU A 414 -6.379 -4.539 15.877 1.00 30.12 N ATOM 1028 CA GLU A 414 -5.528 -4.691 14.709 1.00 13.30 C ATOM 1029 C GLU A 414 -6.041 -3.818 13.562 1.00 51.40 C ATOM 1030 O GLU A 414 -7.246 -3.611 13.425 1.00 1.02 O ATOM 1031 CB GLU A 414 -5.438 -6.157 14.283 1.00 22.53 C ATOM 1032 CG GLU A 414 -4.834 -6.286 12.884 1.00 44.15 C ATOM 1033 CD GLU A 414 -4.372 -7.720 12.615 1.00 3.41 C ATOM 1034 OE1 GLU A 414 -4.624 -8.259 11.528 1.00 53.05 O ATOM 1035 OE2 GLU A 414 -3.727 -8.275 13.585 1.00 75.42 O ATOM 0 H GLU A 414 -6.810 -5.403 16.206 1.00 30.12 H new ATOM 0 HA GLU A 414 -4.523 -4.361 14.971 1.00 13.30 H new ATOM 0 HB2 GLU A 414 -4.829 -6.710 14.998 1.00 22.53 H new ATOM 0 HB3 GLU A 414 -6.432 -6.605 14.297 1.00 22.53 H new ATOM 0 HG2 GLU A 414 -5.572 -5.992 12.137 1.00 44.15 H new ATOM 0 HG3 GLU A 414 -3.990 -5.604 12.784 1.00 44.15 H new ATOM 1043 N ILE A 415 -5.101 -3.329 12.767 1.00 42.50 N ATOM 1044 CA ILE A 415 -5.442 -2.482 11.636 1.00 34.42 C ATOM 1045 C ILE A 415 -5.591 -3.348 10.383 1.00 22.15 C ATOM 1046 O ILE A 415 -4.987 -4.415 10.287 1.00 62.31 O ATOM 1047 CB ILE A 415 -4.422 -1.352 11.485 1.00 33.13 C ATOM 1048 CG1 ILE A 415 -3.840 -0.954 12.843 1.00 15.32 C ATOM 1049 CG2 ILE A 415 -5.033 -0.157 10.750 1.00 21.04 C ATOM 1050 CD1 ILE A 415 -2.935 0.272 12.713 1.00 4.41 C ATOM 0 H ILE A 415 -4.103 -3.503 12.883 1.00 42.50 H new ATOM 0 HA ILE A 415 -6.402 -1.993 11.802 1.00 34.42 H new ATOM 0 HB ILE A 415 -3.595 -1.716 10.875 1.00 33.13 H new ATOM 0 HG12 ILE A 415 -4.649 -0.741 13.541 1.00 15.32 H new ATOM 0 HG13 ILE A 415 -3.273 -1.787 13.258 1.00 15.32 H new ATOM 0 HG21 ILE A 415 -4.287 0.632 10.656 1.00 21.04 H new ATOM 0 HG22 ILE A 415 -5.359 -0.468 9.758 1.00 21.04 H new ATOM 0 HG23 ILE A 415 -5.888 0.217 11.312 1.00 21.04 H new ATOM 0 HD11 ILE A 415 -2.534 0.534 13.692 1.00 4.41 H new ATOM 0 HD12 ILE A 415 -2.113 0.047 12.033 1.00 4.41 H new ATOM 0 HD13 ILE A 415 -3.511 1.110 12.321 1.00 4.41 H new ATOM 1062 N LYS A 416 -6.398 -2.856 9.455 1.00 31.13 N ATOM 1063 CA LYS A 416 -6.634 -3.572 8.213 1.00 44.54 C ATOM 1064 C LYS A 416 -6.058 -2.764 7.047 1.00 22.24 C ATOM 1065 O LYS A 416 -5.374 -3.313 6.185 1.00 30.40 O ATOM 1066 CB LYS A 416 -8.120 -3.901 8.057 1.00 24.25 C ATOM 1067 CG LYS A 416 -8.694 -4.469 9.357 1.00 63.51 C ATOM 1068 CD LYS A 416 -8.357 -5.955 9.501 1.00 33.03 C ATOM 1069 CE LYS A 416 -9.463 -6.828 8.904 1.00 22.12 C ATOM 1070 NZ LYS A 416 -9.175 -7.130 7.484 1.00 2.22 N ATOM 0 H LYS A 416 -6.897 -1.970 9.538 1.00 31.13 H new ATOM 0 HA LYS A 416 -6.118 -4.532 8.223 1.00 44.54 H new ATOM 0 HB2 LYS A 416 -8.668 -3.002 7.775 1.00 24.25 H new ATOM 0 HB3 LYS A 416 -8.254 -4.622 7.250 1.00 24.25 H new ATOM 0 HG2 LYS A 416 -8.293 -3.917 10.207 1.00 63.51 H new ATOM 0 HG3 LYS A 416 -9.776 -4.335 9.371 1.00 63.51 H new ATOM 0 HD2 LYS A 416 -7.412 -6.167 9.002 1.00 33.03 H new ATOM 0 HD3 LYS A 416 -8.223 -6.201 10.554 1.00 33.03 H new ATOM 0 HE2 LYS A 416 -9.547 -7.756 9.470 1.00 22.12 H new ATOM 0 HE3 LYS A 416 -10.422 -6.317 8.986 1.00 22.12 H new ATOM 0 HZ1 LYS A 416 -9.678 -7.996 7.204 1.00 2.22 H new ATOM 0 HZ2 LYS A 416 -9.492 -6.338 6.889 1.00 2.22 H new ATOM 0 HZ3 LYS A 416 -8.152 -7.268 7.359 1.00 2.22 H new ATOM 1083 N GLY A 417 -6.356 -1.473 7.059 1.00 23.35 N ATOM 1084 CA GLY A 417 -5.876 -0.585 6.014 1.00 12.25 C ATOM 1085 C GLY A 417 -5.241 0.672 6.612 1.00 14.52 C ATOM 1086 O GLY A 417 -5.695 1.172 7.640 1.00 0.44 O ATOM 0 H GLY A 417 -6.924 -1.021 7.776 1.00 23.35 H new ATOM 0 HA2 GLY A 417 -5.146 -1.107 5.395 1.00 12.25 H new ATOM 0 HA3 GLY A 417 -6.703 -0.304 5.362 1.00 12.25 H new ATOM 1090 N THR A 418 -4.202 1.147 5.942 1.00 4.33 N ATOM 1091 CA THR A 418 -3.500 2.337 6.394 1.00 21.44 C ATOM 1092 C THR A 418 -2.749 2.988 5.231 1.00 75.30 C ATOM 1093 O THR A 418 -1.834 2.391 4.666 1.00 31.23 O ATOM 1094 CB THR A 418 -2.589 1.935 7.556 1.00 0.13 C ATOM 1095 OG1 THR A 418 -1.928 0.762 7.090 1.00 42.23 O ATOM 1096 CG2 THR A 418 -3.375 1.458 8.779 1.00 13.11 C ATOM 0 H THR A 418 -3.829 0.730 5.089 1.00 4.33 H new ATOM 0 HA THR A 418 -4.197 3.094 6.754 1.00 21.44 H new ATOM 0 HB THR A 418 -1.962 2.782 7.835 1.00 0.13 H new ATOM 0 HG1 THR A 418 -1.715 0.863 6.139 1.00 42.23 H new ATOM 0 HG21 THR A 418 -2.681 1.185 9.574 1.00 13.11 H new ATOM 0 HG22 THR A 418 -4.028 2.258 9.127 1.00 13.11 H new ATOM 0 HG23 THR A 418 -3.977 0.590 8.509 1.00 13.11 H new ATOM 1104 N GLU A 419 -3.165 4.203 4.907 1.00 51.30 N ATOM 1105 CA GLU A 419 -2.544 4.942 3.821 1.00 63.01 C ATOM 1106 C GLU A 419 -2.315 6.398 4.232 1.00 71.03 C ATOM 1107 O GLU A 419 -3.077 6.950 5.024 1.00 21.00 O ATOM 1108 CB GLU A 419 -3.387 4.858 2.547 1.00 32.43 C ATOM 1109 CG GLU A 419 -4.796 5.404 2.786 1.00 53.23 C ATOM 1110 CD GLU A 419 -5.601 5.433 1.484 1.00 24.04 C ATOM 1111 OE1 GLU A 419 -6.221 6.457 1.162 1.00 61.04 O ATOM 1112 OE2 GLU A 419 -5.566 4.342 0.798 1.00 63.44 O ATOM 0 H GLU A 419 -3.925 4.695 5.378 1.00 51.30 H new ATOM 0 HA GLU A 419 -1.576 4.489 3.607 1.00 63.01 H new ATOM 0 HB2 GLU A 419 -2.905 5.423 1.749 1.00 32.43 H new ATOM 0 HB3 GLU A 419 -3.446 3.822 2.213 1.00 32.43 H new ATOM 0 HG2 GLU A 419 -5.310 4.785 3.522 1.00 53.23 H new ATOM 0 HG3 GLU A 419 -4.735 6.409 3.202 1.00 53.23 H new ATOM 1120 N PRO A 420 -1.235 6.994 3.660 1.00 62.15 N ATOM 1121 CA PRO A 420 -0.896 8.375 3.958 1.00 54.00 C ATOM 1122 C PRO A 420 -1.848 9.339 3.247 1.00 73.24 C ATOM 1123 O PRO A 420 -1.716 9.576 2.047 1.00 65.41 O ATOM 1124 CB PRO A 420 0.549 8.531 3.513 1.00 34.13 C ATOM 1125 CG PRO A 420 0.819 7.377 2.562 1.00 71.40 C ATOM 1126 CD PRO A 420 -0.310 6.371 2.717 1.00 73.03 C ATOM 0 HA PRO A 420 -1.001 8.615 5.016 1.00 54.00 H new ATOM 0 HB2 PRO A 420 0.704 9.490 3.018 1.00 34.13 H new ATOM 0 HB3 PRO A 420 1.226 8.500 4.367 1.00 34.13 H new ATOM 0 HG2 PRO A 420 0.873 7.734 1.534 1.00 71.40 H new ATOM 0 HG3 PRO A 420 1.778 6.912 2.789 1.00 71.40 H new ATOM 0 HD2 PRO A 420 -0.795 6.169 1.762 1.00 73.03 H new ATOM 0 HD3 PRO A 420 0.058 5.417 3.095 1.00 73.03 H new ATOM 1134 N ILE A 421 -2.787 9.869 4.017 1.00 70.02 N ATOM 1135 CA ILE A 421 -3.761 10.802 3.475 1.00 23.14 C ATOM 1136 C ILE A 421 -3.391 12.223 3.904 1.00 53.53 C ATOM 1137 O ILE A 421 -2.668 12.413 4.880 1.00 3.20 O ATOM 1138 CB ILE A 421 -5.179 10.388 3.874 1.00 4.14 C ATOM 1139 CG1 ILE A 421 -5.603 11.072 5.176 1.00 75.33 C ATOM 1140 CG2 ILE A 421 -5.302 8.865 3.960 1.00 2.50 C ATOM 1141 CD1 ILE A 421 -6.228 12.440 4.897 1.00 13.34 C ATOM 0 H ILE A 421 -2.894 9.670 5.012 1.00 70.02 H new ATOM 0 HA ILE A 421 -3.743 10.782 2.385 1.00 23.14 H new ATOM 0 HB ILE A 421 -5.865 10.723 3.096 1.00 4.14 H new ATOM 0 HG12 ILE A 421 -6.318 10.443 5.706 1.00 75.33 H new ATOM 0 HG13 ILE A 421 -4.737 11.190 5.828 1.00 75.33 H new ATOM 0 HG21 ILE A 421 -6.319 8.598 4.245 1.00 2.50 H new ATOM 0 HG22 ILE A 421 -5.070 8.426 2.990 1.00 2.50 H new ATOM 0 HG23 ILE A 421 -4.604 8.485 4.706 1.00 2.50 H new ATOM 0 HD11 ILE A 421 -6.521 12.905 5.838 1.00 13.34 H new ATOM 0 HD12 ILE A 421 -5.502 13.075 4.389 1.00 13.34 H new ATOM 0 HD13 ILE A 421 -7.107 12.316 4.265 1.00 13.34 H new ATOM 1153 N ILE A 422 -3.905 13.186 3.152 1.00 14.02 N ATOM 1154 CA ILE A 422 -3.639 14.585 3.442 1.00 63.32 C ATOM 1155 C ILE A 422 -4.957 15.297 3.751 1.00 2.33 C ATOM 1156 O ILE A 422 -5.744 15.574 2.848 1.00 73.54 O ATOM 1157 CB ILE A 422 -2.846 15.226 2.301 1.00 3.34 C ATOM 1158 CG1 ILE A 422 -1.560 14.446 2.021 1.00 2.11 C ATOM 1159 CG2 ILE A 422 -2.569 16.703 2.589 1.00 1.33 C ATOM 1160 CD1 ILE A 422 -0.630 15.236 1.098 1.00 64.30 C ATOM 0 H ILE A 422 -4.504 13.025 2.342 1.00 14.02 H new ATOM 0 HA ILE A 422 -3.011 14.678 4.328 1.00 63.32 H new ATOM 0 HB ILE A 422 -3.452 15.182 1.396 1.00 3.34 H new ATOM 0 HG12 ILE A 422 -1.050 14.230 2.960 1.00 2.11 H new ATOM 0 HG13 ILE A 422 -1.804 13.487 1.563 1.00 2.11 H new ATOM 0 HG21 ILE A 422 -2.004 17.135 1.763 1.00 1.33 H new ATOM 0 HG22 ILE A 422 -3.514 17.235 2.700 1.00 1.33 H new ATOM 0 HG23 ILE A 422 -1.992 16.792 3.509 1.00 1.33 H new ATOM 0 HD11 ILE A 422 0.277 14.659 0.915 1.00 64.30 H new ATOM 0 HD12 ILE A 422 -1.135 15.429 0.151 1.00 64.30 H new ATOM 0 HD13 ILE A 422 -0.368 16.183 1.569 1.00 64.30 H new ATOM 1172 N VAL A 423 -5.156 15.574 5.031 1.00 14.54 N ATOM 1173 CA VAL A 423 -6.366 16.250 5.471 1.00 25.43 C ATOM 1174 C VAL A 423 -6.261 17.740 5.141 1.00 32.11 C ATOM 1175 O VAL A 423 -5.167 18.302 5.129 1.00 30.41 O ATOM 1176 CB VAL A 423 -6.603 15.982 6.959 1.00 64.00 C ATOM 1177 CG1 VAL A 423 -7.968 16.513 7.401 1.00 44.22 C ATOM 1178 CG2 VAL A 423 -6.465 14.492 7.277 1.00 61.34 C ATOM 0 H VAL A 423 -4.501 15.343 5.778 1.00 14.54 H new ATOM 0 HA VAL A 423 -7.236 15.861 4.942 1.00 25.43 H new ATOM 0 HB VAL A 423 -5.837 16.516 7.522 1.00 64.00 H new ATOM 0 HG11 VAL A 423 -8.111 16.310 8.462 1.00 44.22 H new ATOM 0 HG12 VAL A 423 -8.013 17.588 7.228 1.00 44.22 H new ATOM 0 HG13 VAL A 423 -8.753 16.020 6.828 1.00 44.22 H new ATOM 0 HG21 VAL A 423 -6.638 14.329 8.341 1.00 61.34 H new ATOM 0 HG22 VAL A 423 -7.197 13.927 6.700 1.00 61.34 H new ATOM 0 HG23 VAL A 423 -5.461 14.156 7.017 1.00 61.34 H new ATOM 1188 N ASP A 424 -7.415 18.338 4.881 1.00 24.13 N ATOM 1189 CA ASP A 424 -7.467 19.752 4.552 1.00 41.11 C ATOM 1190 C ASP A 424 -8.480 20.447 5.464 1.00 22.23 C ATOM 1191 O ASP A 424 -9.516 19.874 5.797 1.00 30.21 O ATOM 1192 CB ASP A 424 -7.912 19.964 3.104 1.00 41.24 C ATOM 1193 CG ASP A 424 -7.141 19.148 2.064 1.00 10.11 C ATOM 1194 OD1 ASP A 424 -7.527 19.084 0.888 1.00 55.24 O ATOM 1195 OD2 ASP A 424 -6.087 18.553 2.511 1.00 73.24 O ATOM 0 H ASP A 424 -8.321 17.869 4.892 1.00 24.13 H new ATOM 0 HA ASP A 424 -6.468 20.166 4.687 1.00 41.11 H new ATOM 0 HB2 ASP A 424 -8.971 19.717 3.025 1.00 41.24 H new ATOM 0 HB3 ASP A 424 -7.812 21.022 2.860 1.00 41.24 H new ATOM 1201 N PRO A 425 -8.136 21.704 5.853 1.00 22.20 N ATOM 1202 CA PRO A 425 -9.003 22.483 6.720 1.00 31.34 C ATOM 1203 C PRO A 425 -10.214 23.015 5.951 1.00 63.33 C ATOM 1204 O PRO A 425 -10.345 22.776 4.751 1.00 0.12 O ATOM 1205 CB PRO A 425 -8.118 23.588 7.272 1.00 24.14 C ATOM 1206 CG PRO A 425 -6.919 23.666 6.341 1.00 22.21 C ATOM 1207 CD PRO A 425 -6.917 22.414 5.479 1.00 45.35 C ATOM 0 HA PRO A 425 -9.429 21.891 7.530 1.00 31.34 H new ATOM 0 HB2 PRO A 425 -8.652 24.538 7.302 1.00 24.14 H new ATOM 0 HB3 PRO A 425 -7.806 23.366 8.293 1.00 24.14 H new ATOM 0 HG2 PRO A 425 -6.977 24.559 5.718 1.00 22.21 H new ATOM 0 HG3 PRO A 425 -5.994 23.737 6.914 1.00 22.21 H new ATOM 0 HD2 PRO A 425 -6.914 22.664 4.418 1.00 45.35 H new ATOM 0 HD3 PRO A 425 -6.032 21.806 5.666 1.00 45.35 H new ATOM 1215 N PHE A 426 -11.068 23.726 6.672 1.00 24.33 N ATOM 1216 CA PHE A 426 -12.263 24.294 6.072 1.00 21.43 C ATOM 1217 C PHE A 426 -11.902 25.322 4.998 1.00 22.50 C ATOM 1218 O PHE A 426 -12.436 25.281 3.891 1.00 51.31 O ATOM 1219 CB PHE A 426 -13.036 24.994 7.192 1.00 61.43 C ATOM 1220 CG PHE A 426 -14.009 26.067 6.699 1.00 4.13 C ATOM 1221 CD1 PHE A 426 -15.259 25.718 6.295 1.00 73.51 C ATOM 1222 CD2 PHE A 426 -13.623 27.371 6.666 1.00 63.32 C ATOM 1223 CE1 PHE A 426 -16.162 26.714 5.838 1.00 60.32 C ATOM 1224 CE2 PHE A 426 -14.525 28.367 6.209 1.00 74.14 C ATOM 1225 CZ PHE A 426 -15.776 28.017 5.804 1.00 10.42 C ATOM 0 H PHE A 426 -10.956 23.922 7.667 1.00 24.33 H new ATOM 0 HA PHE A 426 -12.852 23.508 5.600 1.00 21.43 H new ATOM 0 HB2 PHE A 426 -13.592 24.247 7.758 1.00 61.43 H new ATOM 0 HB3 PHE A 426 -12.325 25.451 7.880 1.00 61.43 H new ATOM 0 HD1 PHE A 426 -15.566 24.683 6.322 1.00 73.51 H new ATOM 0 HD2 PHE A 426 -12.630 27.648 6.988 1.00 63.32 H new ATOM 0 HE1 PHE A 426 -17.155 26.436 5.517 1.00 60.32 H new ATOM 0 HE2 PHE A 426 -14.219 29.402 6.183 1.00 74.14 H new ATOM 0 HZ PHE A 426 -16.462 28.775 5.455 1.00 10.42 H new TER 1235 PHE A 426 HETATM 1236 ZN ZN A1373 0.335 13.781 17.921 1.00 54.40 ZN HETATM 1237 ZN ZN A1388 -8.446 2.507 14.041 1.00 0.54 ZN