USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 499 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 NoAdj-H: A 367 HIS HD1 : A 367 HIS ND1 : A 500 ZNZN :(H bumps) USER MOD Set 1.1: A 346 HIS : no HD1:sc= -0.843 K(o=-0.15,f=-3.4) USER MOD Set 1.2: A 359 THR OG1 : rot 92:sc= 0.693 USER MOD Set 2.1: A 354 THR OG1 : rot -72:sc= 0.475 USER MOD Set 2.2: A 356 LYS NZ :NH3+ 140:sc= 0.828 (180deg=-0.0683) USER MOD Single : A 355 LYS NZ :NH3+ -171:sc= -0.0214 (180deg=-0.145) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 363 THR OG1 : rot -46:sc= -0.62 USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 180:sc= 0 USER MOD Single : A 368 SER OG : rot 101:sc= -1.65! USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -1.24 K(o=-1.2,f=0) USER MOD Single : A 376 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 380 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 HIS : no HE2:sc= -6.79! C(o=-6.8!,f=-6!) USER MOD Single : A 390 LYS NZ :NH3+ -158:sc= -0.227 (180deg=-0.96) USER MOD Single : A 391 ASN : amide:sc= 1.2 K(o=1.2,f=-0.027) USER MOD Single : A 392 LYS NZ :NH3+ 176:sc= -0.0194 (180deg=-0.0364) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD Single : A 396 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00407) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 339 51.837 0.572 -3.131 1.00 0.00 N ATOM 2 CA ARG A 339 50.886 0.745 -4.169 1.00 0.00 C ATOM 3 C ARG A 339 51.571 1.121 -5.347 1.00 0.00 C ATOM 4 O ARG A 339 51.746 0.330 -6.276 1.00 0.00 O ATOM 5 CB ARG A 339 49.827 1.795 -3.822 1.00 0.00 C ATOM 6 CG ARG A 339 48.956 1.476 -2.625 1.00 0.00 C ATOM 7 CD ARG A 339 47.996 2.617 -2.333 1.00 0.00 C ATOM 8 NE ARG A 339 47.174 2.366 -1.145 1.00 0.00 N ATOM 9 CZ ARG A 339 46.217 3.193 -0.673 1.00 0.00 C ATOM 10 NH1 ARG A 339 45.930 4.327 -1.303 1.00 0.00 N ATOM 11 NH2 ARG A 339 45.546 2.870 0.415 1.00 0.00 N ATOM 0 HA ARG A 339 50.359 -0.199 -4.311 1.00 0.00 H new ATOM 0 HB2 ARG A 339 50.329 2.745 -3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 339 49.183 1.936 -4.690 1.00 0.00 H new ATOM 0 HG2 ARG A 339 48.394 0.561 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 339 49.583 1.291 -1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 339 48.562 3.538 -2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 339 47.347 2.771 -3.195 1.00 0.00 H new ATOM 0 HE ARG A 339 47.338 1.498 -0.635 1.00 0.00 H new ATOM 0 HH11 ARG A 339 46.435 4.580 -2.152 1.00 0.00 H new ATOM 0 HH12 ARG A 339 45.205 4.944 -0.937 1.00 0.00 H new ATOM 0 HH21 ARG A 339 45.750 1.996 0.899 1.00 0.00 H new ATOM 0 HH22 ARG A 339 44.823 3.494 0.772 1.00 0.00 H new ATOM 25 N GLU A 340 52.016 2.265 -5.316 1.00 0.00 N ATOM 26 CA GLU A 340 52.602 2.798 -6.412 1.00 0.00 C ATOM 27 C GLU A 340 54.132 2.638 -6.365 1.00 0.00 C ATOM 28 O GLU A 340 54.911 3.509 -5.947 1.00 0.00 O ATOM 29 CB GLU A 340 52.136 4.185 -6.611 1.00 0.00 C ATOM 30 CG GLU A 340 52.775 5.142 -5.669 1.00 0.00 C ATOM 31 CD GLU A 340 51.926 5.650 -4.543 1.00 0.00 C ATOM 32 OE1 GLU A 340 51.055 4.909 -4.039 1.00 0.00 O ATOM 33 OE2 GLU A 340 52.139 6.803 -4.121 1.00 0.00 O ATOM 0 H GLU A 340 51.983 2.879 -4.502 1.00 0.00 H new ATOM 0 HA GLU A 340 52.294 2.244 -7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 340 52.348 4.492 -7.635 1.00 0.00 H new ATOM 0 HB3 GLU A 340 51.054 4.223 -6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 340 53.655 4.661 -5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 340 53.127 5.999 -6.243 1.00 0.00 H new ATOM 40 N PHE A 341 54.492 1.455 -6.603 1.00 0.00 N ATOM 41 CA PHE A 341 55.887 1.070 -6.799 1.00 0.00 C ATOM 42 C PHE A 341 56.704 2.118 -7.486 1.00 0.00 C ATOM 43 O PHE A 341 56.524 2.413 -8.683 1.00 0.00 O ATOM 44 CB PHE A 341 56.078 -0.246 -7.551 1.00 0.00 C ATOM 45 CG PHE A 341 57.531 -0.557 -7.727 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.325 -0.758 -6.623 1.00 0.00 C ATOM 47 CD2 PHE A 341 58.105 -0.630 -8.985 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.644 -1.025 -6.754 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.441 -0.906 -9.122 1.00 0.00 C ATOM 50 CZ PHE A 341 60.212 -1.103 -8.006 1.00 0.00 C ATOM 0 H PHE A 341 53.837 0.676 -6.677 1.00 0.00 H new ATOM 0 HA PHE A 341 56.242 0.941 -5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.593 -1.055 -7.005 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.595 -0.185 -8.526 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.889 -0.702 -5.637 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.497 -0.469 -9.863 1.00 0.00 H new ATOM 0 HE1 PHE A 341 60.253 -1.177 -5.875 1.00 0.00 H new ATOM 0 HE2 PHE A 341 59.884 -0.968 -10.105 1.00 0.00 H new ATOM 0 HZ PHE A 341 61.265 -1.319 -8.109 1.00 0.00 H new ATOM 60 N ASP A 342 57.598 2.653 -6.730 1.00 0.00 N ATOM 61 CA ASP A 342 58.517 3.598 -7.253 1.00 0.00 C ATOM 62 C ASP A 342 59.848 2.958 -7.182 1.00 0.00 C ATOM 63 O ASP A 342 60.376 2.809 -6.096 1.00 0.00 O ATOM 64 CB ASP A 342 58.626 4.927 -6.492 1.00 0.00 C ATOM 65 CG ASP A 342 58.477 6.130 -7.397 1.00 0.00 C ATOM 66 OD1 ASP A 342 59.359 6.369 -8.251 1.00 0.00 O ATOM 67 OD2 ASP A 342 57.474 6.870 -7.262 1.00 0.00 O ATOM 0 H ASP A 342 57.712 2.448 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 342 58.163 3.854 -8.252 1.00 0.00 H new ATOM 0 HB2 ASP A 342 57.859 4.962 -5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.591 4.974 -5.987 1.00 0.00 H new ATOM 72 N PRO A 343 60.420 2.513 -8.278 1.00 0.00 N ATOM 73 CA PRO A 343 61.709 1.849 -8.223 1.00 0.00 C ATOM 74 C PRO A 343 62.807 2.739 -7.700 1.00 0.00 C ATOM 75 O PRO A 343 63.659 2.299 -6.950 1.00 0.00 O ATOM 76 CB PRO A 343 61.983 1.427 -9.650 1.00 0.00 C ATOM 77 CG PRO A 343 61.086 2.253 -10.494 1.00 0.00 C ATOM 78 CD PRO A 343 59.874 2.558 -9.648 1.00 0.00 C ATOM 0 HA PRO A 343 61.686 1.008 -7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 343 63.028 1.591 -9.913 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.782 0.365 -9.789 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.583 3.171 -10.807 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.803 1.718 -11.401 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.450 3.534 -9.884 1.00 0.00 H new ATOM 0 HD3 PRO A 343 59.082 1.823 -9.794 1.00 0.00 H new ATOM 86 N ASP A 344 62.723 3.998 -8.034 1.00 0.00 N ATOM 87 CA ASP A 344 63.739 4.969 -7.678 1.00 0.00 C ATOM 88 C ASP A 344 63.781 5.228 -6.195 1.00 0.00 C ATOM 89 O ASP A 344 64.795 5.709 -5.670 1.00 0.00 O ATOM 90 CB ASP A 344 63.478 6.296 -8.374 1.00 0.00 C ATOM 91 CG ASP A 344 63.553 6.223 -9.862 1.00 0.00 C ATOM 92 OD1 ASP A 344 64.642 6.311 -10.425 1.00 0.00 O ATOM 93 OD2 ASP A 344 62.508 6.103 -10.506 1.00 0.00 O ATOM 0 H ASP A 344 61.944 4.388 -8.565 1.00 0.00 H new ATOM 0 HA ASP A 344 64.692 4.546 -7.996 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.491 6.658 -8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 344 64.202 7.030 -8.019 1.00 0.00 H new ATOM 98 N ILE A 345 62.699 4.907 -5.524 1.00 0.00 N ATOM 99 CA ILE A 345 62.561 5.264 -4.126 1.00 0.00 C ATOM 100 C ILE A 345 62.387 4.027 -3.249 1.00 0.00 C ATOM 101 O ILE A 345 62.803 4.008 -2.113 1.00 0.00 O ATOM 102 CB ILE A 345 61.360 6.275 -3.905 1.00 0.00 C ATOM 103 CG1 ILE A 345 60.071 5.582 -3.458 1.00 0.00 C ATOM 104 CG2 ILE A 345 61.114 7.087 -5.162 1.00 0.00 C ATOM 105 CD1 ILE A 345 58.894 6.524 -3.258 1.00 0.00 C ATOM 0 H ILE A 345 61.905 4.403 -5.918 1.00 0.00 H new ATOM 0 HA ILE A 345 63.484 5.762 -3.828 1.00 0.00 H new ATOM 0 HB ILE A 345 61.656 6.941 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 345 59.799 4.831 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 345 60.261 5.053 -2.524 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.286 7.776 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 345 62.012 7.652 -5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 345 60.867 6.417 -5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 345 58.021 5.953 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 345 59.143 7.260 -2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 345 58.674 7.035 -4.195 1.00 0.00 H new ATOM 117 N HIS A 346 61.804 2.998 -3.793 1.00 0.00 N ATOM 118 CA HIS A 346 61.462 1.853 -3.022 1.00 0.00 C ATOM 119 C HIS A 346 62.325 0.643 -3.266 1.00 0.00 C ATOM 120 O HIS A 346 63.231 0.631 -4.080 1.00 0.00 O ATOM 121 CB HIS A 346 59.984 1.506 -3.179 1.00 0.00 C ATOM 122 CG HIS A 346 59.068 2.401 -2.398 1.00 0.00 C ATOM 123 ND1 HIS A 346 57.983 3.020 -2.968 1.00 0.00 N ATOM 124 CD2 HIS A 346 59.096 2.685 -1.083 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.378 3.664 -1.962 1.00 0.00 C ATOM 126 NE2 HIS A 346 58.021 3.481 -0.813 1.00 0.00 N ATOM 0 H HIS A 346 61.556 2.935 -4.780 1.00 0.00 H new ATOM 0 HA HIS A 346 61.660 2.142 -1.990 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.717 1.560 -4.235 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.826 0.475 -2.863 1.00 0.00 H new ATOM 0 HD2 HIS A 346 59.834 2.345 -0.372 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.482 4.257 -2.070 1.00 0.00 H new ATOM 0 HE2 HIS A 346 57.761 3.863 0.096 1.00 0.00 H new ATOM 134 N CYS A 347 61.993 -0.371 -2.513 1.00 0.00 N ATOM 135 CA CYS A 347 62.685 -1.653 -2.450 1.00 0.00 C ATOM 136 C CYS A 347 62.881 -2.351 -3.808 1.00 0.00 C ATOM 137 O CYS A 347 63.933 -2.892 -4.039 1.00 0.00 O ATOM 138 CB CYS A 347 61.930 -2.538 -1.465 1.00 0.00 C ATOM 139 SG CYS A 347 62.607 -4.220 -1.117 1.00 0.00 S ATOM 0 H CYS A 347 61.188 -0.334 -1.887 1.00 0.00 H new ATOM 0 HA CYS A 347 63.704 -1.466 -2.112 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.863 -2.002 -0.518 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.912 -2.658 -1.836 1.00 0.00 H new ATOM 144 N GLY A 348 61.853 -2.449 -4.623 1.00 0.00 N ATOM 145 CA GLY A 348 62.037 -3.046 -5.955 1.00 0.00 C ATOM 146 C GLY A 348 62.140 -4.560 -5.979 1.00 0.00 C ATOM 147 O GLY A 348 62.134 -5.153 -7.034 1.00 0.00 O ATOM 0 H GLY A 348 60.905 -2.138 -4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 348 61.202 -2.745 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.941 -2.630 -6.400 1.00 0.00 H new ATOM 151 N VAL A 349 62.157 -5.186 -4.823 1.00 0.00 N ATOM 152 CA VAL A 349 62.334 -6.635 -4.776 1.00 0.00 C ATOM 153 C VAL A 349 61.019 -7.199 -4.921 1.00 0.00 C ATOM 154 O VAL A 349 60.163 -6.979 -4.069 1.00 0.00 O ATOM 155 CB VAL A 349 62.956 -7.174 -3.451 1.00 0.00 C ATOM 156 CG1 VAL A 349 63.222 -8.675 -3.537 1.00 0.00 C ATOM 157 CG2 VAL A 349 64.215 -6.446 -3.070 1.00 0.00 C ATOM 0 H VAL A 349 62.053 -4.733 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 349 63.034 -6.915 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 349 62.220 -6.990 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.655 -9.022 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.285 -9.201 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 349 63.916 -8.875 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.607 -6.860 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.956 -6.563 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.995 -5.387 -2.932 1.00 0.00 H new ATOM 167 N ILE A 350 60.830 -7.854 -5.986 1.00 0.00 N ATOM 168 CA ILE A 350 59.595 -8.430 -6.256 1.00 0.00 C ATOM 169 C ILE A 350 59.257 -9.483 -5.233 1.00 0.00 C ATOM 170 O ILE A 350 60.048 -10.378 -4.924 1.00 0.00 O ATOM 171 CB ILE A 350 59.470 -8.861 -7.716 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.532 -7.570 -8.559 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.195 -9.641 -7.943 1.00 0.00 C ATOM 174 CD1 ILE A 350 59.081 -7.684 -9.981 1.00 0.00 C ATOM 0 H ILE A 350 61.540 -8.006 -6.703 1.00 0.00 H new ATOM 0 HA ILE A 350 58.817 -7.674 -6.146 1.00 0.00 H new ATOM 0 HB ILE A 350 60.276 -9.535 -8.006 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.924 -6.811 -8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.560 -7.207 -8.554 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.130 -9.936 -8.990 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.197 -10.532 -7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.337 -9.019 -7.688 1.00 0.00 H new ATOM 0 HD11 ILE A 350 59.171 -6.714 -10.470 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.702 -8.412 -10.503 1.00 0.00 H new ATOM 0 HD13 ILE A 350 58.041 -8.009 -10.008 1.00 0.00 H new ATOM 186 N ASP A 351 58.116 -9.299 -4.661 1.00 0.00 N ATOM 187 CA ASP A 351 57.671 -10.046 -3.544 1.00 0.00 C ATOM 188 C ASP A 351 57.151 -11.346 -4.026 1.00 0.00 C ATOM 189 O ASP A 351 56.334 -11.380 -4.886 1.00 0.00 O ATOM 190 CB ASP A 351 56.567 -9.256 -2.886 1.00 0.00 C ATOM 191 CG ASP A 351 56.148 -9.780 -1.579 1.00 0.00 C ATOM 192 OD1 ASP A 351 56.818 -9.485 -0.558 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.156 -10.486 -1.539 1.00 0.00 O ATOM 0 H ASP A 351 57.446 -8.597 -4.974 1.00 0.00 H new ATOM 0 HA ASP A 351 58.477 -10.228 -2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 351 56.897 -8.225 -2.762 1.00 0.00 H new ATOM 0 HB3 ASP A 351 55.703 -9.237 -3.551 1.00 0.00 H new ATOM 198 N LEU A 352 57.665 -12.400 -3.520 1.00 0.00 N ATOM 199 CA LEU A 352 57.245 -13.712 -3.920 1.00 0.00 C ATOM 200 C LEU A 352 55.957 -14.158 -3.249 1.00 0.00 C ATOM 201 O LEU A 352 55.421 -15.223 -3.571 1.00 0.00 O ATOM 202 CB LEU A 352 58.383 -14.685 -3.724 1.00 0.00 C ATOM 203 CG LEU A 352 59.367 -14.857 -4.900 1.00 0.00 C ATOM 204 CD1 LEU A 352 58.806 -15.829 -5.916 1.00 0.00 C ATOM 205 CD2 LEU A 352 59.656 -13.538 -5.609 1.00 0.00 C ATOM 0 H LEU A 352 58.397 -12.391 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 352 56.997 -13.683 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 352 58.952 -14.369 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 352 57.958 -15.662 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 352 60.297 -15.236 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 352 59.511 -15.941 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 352 58.645 -16.797 -5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 352 57.858 -15.450 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 352 60.353 -13.711 -6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 352 58.727 -13.126 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.094 -12.833 -4.902 1.00 0.00 H new ATOM 217 N ASP A 353 55.460 -13.364 -2.320 1.00 0.00 N ATOM 218 CA ASP A 353 54.230 -13.673 -1.660 1.00 0.00 C ATOM 219 C ASP A 353 53.086 -13.041 -2.428 1.00 0.00 C ATOM 220 O ASP A 353 52.022 -13.639 -2.590 1.00 0.00 O ATOM 221 CB ASP A 353 54.227 -13.154 -0.220 1.00 0.00 C ATOM 222 CG ASP A 353 55.311 -13.738 0.657 1.00 0.00 C ATOM 223 OD1 ASP A 353 55.228 -14.930 1.031 1.00 0.00 O ATOM 224 OD2 ASP A 353 56.279 -13.012 0.986 1.00 0.00 O ATOM 0 H ASP A 353 55.901 -12.497 -2.012 1.00 0.00 H new ATOM 0 HA ASP A 353 54.114 -14.756 -1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.336 -12.070 -0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 353 53.258 -13.370 0.229 1.00 0.00 H new ATOM 229 N THR A 354 53.306 -11.823 -2.900 1.00 0.00 N ATOM 230 CA THR A 354 52.296 -11.092 -3.652 1.00 0.00 C ATOM 231 C THR A 354 52.567 -11.046 -5.160 1.00 0.00 C ATOM 232 O THR A 354 51.637 -11.021 -5.968 1.00 0.00 O ATOM 233 CB THR A 354 52.106 -9.680 -3.074 1.00 0.00 C ATOM 234 OG1 THR A 354 53.383 -9.024 -2.948 1.00 0.00 O ATOM 235 CG2 THR A 354 51.476 -9.764 -1.711 1.00 0.00 C ATOM 0 H THR A 354 54.182 -11.316 -2.774 1.00 0.00 H new ATOM 0 HA THR A 354 51.365 -11.648 -3.538 1.00 0.00 H new ATOM 0 HB THR A 354 51.462 -9.114 -3.747 1.00 0.00 H new ATOM 0 HG1 THR A 354 53.888 -9.430 -2.213 1.00 0.00 H new ATOM 0 HG21 THR A 354 51.345 -8.760 -1.308 1.00 0.00 H new ATOM 0 HG22 THR A 354 50.505 -10.254 -1.788 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.121 -10.340 -1.047 1.00 0.00 H new ATOM 243 N LYS A 355 53.834 -11.039 -5.518 1.00 0.00 N ATOM 244 CA LYS A 355 54.295 -11.035 -6.915 1.00 0.00 C ATOM 245 C LYS A 355 54.070 -9.732 -7.577 1.00 0.00 C ATOM 246 O LYS A 355 53.479 -9.595 -8.656 1.00 0.00 O ATOM 247 CB LYS A 355 53.849 -12.239 -7.713 1.00 0.00 C ATOM 248 CG LYS A 355 54.588 -13.506 -7.313 1.00 0.00 C ATOM 249 CD LYS A 355 56.065 -13.498 -7.730 1.00 0.00 C ATOM 250 CE LYS A 355 56.248 -13.412 -9.244 1.00 0.00 C ATOM 251 NZ LYS A 355 55.600 -14.537 -9.954 1.00 0.00 N ATOM 0 H LYS A 355 54.598 -11.036 -4.842 1.00 0.00 H new ATOM 0 HA LYS A 355 55.378 -11.152 -6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 355 52.778 -12.387 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 355 54.009 -12.048 -8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 355 54.522 -13.632 -6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 355 54.094 -14.366 -7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 355 56.567 -12.653 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 355 56.548 -14.403 -7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 355 55.833 -12.471 -9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 355 57.312 -13.402 -9.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 55.877 -14.521 -10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 55.900 -15.436 -9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 54.567 -14.446 -9.879 1.00 0.00 H new ATOM 265 N LYS A 356 54.516 -8.789 -6.879 1.00 0.00 N ATOM 266 CA LYS A 356 54.520 -7.434 -7.246 1.00 0.00 C ATOM 267 C LYS A 356 55.815 -6.894 -6.716 1.00 0.00 C ATOM 268 O LYS A 356 56.469 -7.584 -5.921 1.00 0.00 O ATOM 269 CB LYS A 356 53.339 -6.753 -6.576 1.00 0.00 C ATOM 270 CG LYS A 356 53.483 -6.551 -5.084 1.00 0.00 C ATOM 271 CD LYS A 356 52.336 -5.751 -4.546 1.00 0.00 C ATOM 272 CE LYS A 356 52.611 -5.282 -3.141 1.00 0.00 C ATOM 273 NZ LYS A 356 52.740 -6.381 -2.164 1.00 0.00 N ATOM 0 H LYS A 356 54.924 -8.946 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 356 54.435 -7.274 -8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.184 -5.782 -7.046 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.443 -7.345 -6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.525 -7.518 -4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 356 54.422 -6.040 -4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 356 52.155 -4.891 -5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.429 -6.356 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 356 53.529 -4.694 -3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 356 51.806 -4.619 -2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 53.511 -6.166 -1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 51.849 -6.485 -1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 52.952 -7.268 -2.665 1.00 0.00 H new ATOM 287 N PRO A 357 56.243 -5.713 -7.115 1.00 0.00 N ATOM 288 CA PRO A 357 57.433 -5.157 -6.583 1.00 0.00 C ATOM 289 C PRO A 357 57.245 -4.697 -5.195 1.00 0.00 C ATOM 290 O PRO A 357 56.181 -4.832 -4.594 1.00 0.00 O ATOM 291 CB PRO A 357 57.778 -4.013 -7.460 1.00 0.00 C ATOM 292 CG PRO A 357 56.616 -3.739 -8.335 1.00 0.00 C ATOM 293 CD PRO A 357 55.594 -4.828 -8.083 1.00 0.00 C ATOM 0 HA PRO A 357 58.226 -5.904 -6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 357 58.020 -3.134 -6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.659 -4.244 -8.058 1.00 0.00 H new ATOM 0 HG2 PRO A 357 56.194 -2.758 -8.117 1.00 0.00 H new ATOM 0 HG3 PRO A 357 56.918 -3.730 -9.382 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.665 -4.418 -7.687 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.343 -5.358 -9.001 1.00 0.00 H new ATOM 301 N CYS A 358 58.232 -4.098 -4.689 1.00 0.00 N ATOM 302 CA CYS A 358 58.215 -3.863 -3.385 1.00 0.00 C ATOM 303 C CYS A 358 58.369 -2.462 -3.099 1.00 0.00 C ATOM 304 O CYS A 358 59.456 -1.894 -3.207 1.00 0.00 O ATOM 305 CB CYS A 358 59.230 -4.621 -2.763 1.00 0.00 C ATOM 306 SG CYS A 358 59.022 -4.668 -1.033 1.00 0.00 S ATOM 0 H CYS A 358 59.056 -3.771 -5.194 1.00 0.00 H new ATOM 0 HA CYS A 358 57.246 -4.163 -2.987 1.00 0.00 H new ATOM 0 HB2 CYS A 358 59.222 -5.636 -3.159 1.00 0.00 H new ATOM 0 HB3 CYS A 358 60.204 -4.193 -3.002 1.00 0.00 H new ATOM 311 N THR A 359 57.329 -1.931 -2.733 1.00 0.00 N ATOM 312 CA THR A 359 57.226 -0.560 -2.425 1.00 0.00 C ATOM 313 C THR A 359 56.890 -0.360 -0.933 1.00 0.00 C ATOM 314 O THR A 359 56.120 0.486 -0.523 1.00 0.00 O ATOM 315 CB THR A 359 56.320 0.156 -3.505 1.00 0.00 C ATOM 316 OG1 THR A 359 55.783 1.408 -3.145 1.00 0.00 O ATOM 317 CG2 THR A 359 55.255 -0.743 -4.113 1.00 0.00 C ATOM 0 H THR A 359 56.453 -2.441 -2.622 1.00 0.00 H new ATOM 0 HA THR A 359 58.180 -0.041 -2.512 1.00 0.00 H new ATOM 0 HB THR A 359 57.052 0.380 -4.281 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.392 2.120 -3.433 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.676 -0.178 -4.844 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.732 -1.591 -4.605 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.592 -1.105 -3.327 1.00 0.00 H new ATOM 325 N ARG A 360 57.594 -1.160 -0.137 1.00 0.00 N ATOM 326 CA ARG A 360 57.505 -1.120 1.318 1.00 0.00 C ATOM 327 C ARG A 360 58.154 0.122 1.826 1.00 0.00 C ATOM 328 O ARG A 360 57.514 1.023 2.349 1.00 0.00 O ATOM 329 CB ARG A 360 58.236 -2.317 1.900 1.00 0.00 C ATOM 330 CG ARG A 360 57.506 -3.582 1.685 1.00 0.00 C ATOM 331 CD ARG A 360 56.631 -3.977 2.840 1.00 0.00 C ATOM 332 NE ARG A 360 55.467 -4.701 2.352 1.00 0.00 N ATOM 333 CZ ARG A 360 54.713 -5.512 3.068 1.00 0.00 C ATOM 334 NH1 ARG A 360 54.953 -5.684 4.361 1.00 0.00 N ATOM 335 NH2 ARG A 360 53.707 -6.133 2.495 1.00 0.00 N ATOM 0 H ARG A 360 58.248 -1.860 -0.488 1.00 0.00 H new ATOM 0 HA ARG A 360 56.455 -1.139 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 360 59.225 -2.390 1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 360 58.385 -2.164 2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 360 56.891 -3.489 0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 360 58.225 -4.379 1.496 1.00 0.00 H new ATOM 0 HD2 ARG A 360 57.192 -4.600 3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.315 -3.090 3.389 1.00 0.00 H new ATOM 0 HE ARG A 360 55.213 -4.570 1.373 1.00 0.00 H new ATOM 0 HH11 ARG A 360 55.724 -5.188 4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 360 54.366 -6.313 4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 360 53.515 -5.986 1.504 1.00 0.00 H new ATOM 0 HH22 ARG A 360 53.118 -6.762 3.041 1.00 0.00 H new ATOM 349 N SER A 361 59.440 0.152 1.637 1.00 0.00 N ATOM 350 CA SER A 361 60.275 1.215 2.044 1.00 0.00 C ATOM 351 C SER A 361 61.636 0.951 1.518 1.00 0.00 C ATOM 352 O SER A 361 61.881 -0.107 0.857 1.00 0.00 O ATOM 353 CB SER A 361 60.320 1.319 3.570 1.00 0.00 C ATOM 354 OG SER A 361 60.680 0.067 4.141 1.00 0.00 O ATOM 0 H SER A 361 59.946 -0.603 1.174 1.00 0.00 H new ATOM 0 HA SER A 361 59.887 2.157 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 361 61.039 2.082 3.868 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.347 1.632 3.949 1.00 0.00 H new ATOM 0 HG SER A 361 60.707 0.148 5.117 1.00 0.00 H new ATOM 360 N LEU A 362 62.521 1.844 1.847 1.00 0.00 N ATOM 361 CA LEU A 362 63.880 1.793 1.455 1.00 0.00 C ATOM 362 C LEU A 362 64.634 0.860 2.400 1.00 0.00 C ATOM 363 O LEU A 362 65.760 0.500 2.162 1.00 0.00 O ATOM 364 CB LEU A 362 64.479 3.211 1.522 1.00 0.00 C ATOM 365 CG LEU A 362 63.823 4.323 0.641 1.00 0.00 C ATOM 366 CD1 LEU A 362 62.480 4.803 1.173 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.750 5.503 0.420 1.00 0.00 C ATOM 0 H LEU A 362 62.297 2.658 2.420 1.00 0.00 H new ATOM 0 HA LEU A 362 63.964 1.418 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.442 3.541 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.531 3.143 1.246 1.00 0.00 H new ATOM 0 HG LEU A 362 63.637 3.845 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 362 62.082 5.574 0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 362 61.784 3.965 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 362 62.611 5.214 2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 362 64.249 6.249 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 362 65.012 5.945 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 362 65.656 5.165 -0.083 1.00 0.00 H new ATOM 379 N THR A 363 63.954 0.446 3.444 1.00 0.00 N ATOM 380 CA THR A 363 64.526 -0.381 4.489 1.00 0.00 C ATOM 381 C THR A 363 63.585 -1.579 4.736 1.00 0.00 C ATOM 382 O THR A 363 63.504 -2.125 5.834 1.00 0.00 O ATOM 383 CB THR A 363 64.701 0.486 5.767 1.00 0.00 C ATOM 384 OG1 THR A 363 65.359 -0.226 6.810 1.00 0.00 O ATOM 385 CG2 THR A 363 63.368 1.014 6.260 1.00 0.00 C ATOM 0 H THR A 363 62.972 0.676 3.596 1.00 0.00 H new ATOM 0 HA THR A 363 65.504 -0.767 4.202 1.00 0.00 H new ATOM 0 HB THR A 363 65.331 1.330 5.487 1.00 0.00 H new ATOM 0 HG1 THR A 363 64.963 -1.118 6.898 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.524 1.616 7.155 1.00 0.00 H new ATOM 0 HG22 THR A 363 62.910 1.628 5.484 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.710 0.178 6.496 1.00 0.00 H new ATOM 393 N CYS A 364 62.933 -1.984 3.639 1.00 0.00 N ATOM 394 CA CYS A 364 61.945 -3.074 3.572 1.00 0.00 C ATOM 395 C CYS A 364 62.208 -4.226 4.542 1.00 0.00 C ATOM 396 O CYS A 364 63.211 -4.923 4.426 1.00 0.00 O ATOM 397 CB CYS A 364 61.966 -3.639 2.207 1.00 0.00 C ATOM 398 SG CYS A 364 60.923 -5.096 1.998 1.00 0.00 S ATOM 0 H CYS A 364 63.085 -1.543 2.732 1.00 0.00 H new ATOM 0 HA CYS A 364 60.987 -2.632 3.845 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.645 -2.872 1.503 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.992 -3.900 1.949 1.00 0.00 H new ATOM 403 N LYS A 365 61.236 -4.477 5.368 1.00 0.00 N ATOM 404 CA LYS A 365 61.283 -5.404 6.450 1.00 0.00 C ATOM 405 C LYS A 365 60.930 -6.816 6.000 1.00 0.00 C ATOM 406 O LYS A 365 61.212 -7.788 6.681 1.00 0.00 O ATOM 407 CB LYS A 365 60.286 -4.869 7.452 1.00 0.00 C ATOM 408 CG LYS A 365 60.146 -5.606 8.741 1.00 0.00 C ATOM 409 CD LYS A 365 59.182 -4.861 9.665 1.00 0.00 C ATOM 410 CE LYS A 365 57.771 -4.729 9.062 1.00 0.00 C ATOM 411 NZ LYS A 365 57.061 -6.022 9.010 1.00 0.00 N ATOM 0 H LYS A 365 60.333 -4.007 5.296 1.00 0.00 H new ATOM 0 HA LYS A 365 62.284 -5.488 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 365 60.558 -3.839 7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 365 59.308 -4.841 6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 365 59.778 -6.615 8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 365 61.120 -5.705 9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 365 59.119 -5.386 10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 365 59.579 -3.868 9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 365 57.190 -4.022 9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 365 57.845 -4.317 8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 56.117 -5.883 8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 57.600 -6.691 8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 56.965 -6.404 9.972 1.00 0.00 H new ATOM 425 N THR A 366 60.358 -6.923 4.837 1.00 0.00 N ATOM 426 CA THR A 366 59.932 -8.200 4.337 1.00 0.00 C ATOM 427 C THR A 366 61.109 -8.948 3.701 1.00 0.00 C ATOM 428 O THR A 366 61.171 -10.181 3.670 1.00 0.00 O ATOM 429 CB THR A 366 58.895 -7.959 3.249 1.00 0.00 C ATOM 430 OG1 THR A 366 57.770 -7.241 3.770 1.00 0.00 O ATOM 431 CG2 THR A 366 58.461 -9.246 2.571 1.00 0.00 C ATOM 0 H THR A 366 60.174 -6.138 4.213 1.00 0.00 H new ATOM 0 HA THR A 366 59.528 -8.789 5.160 1.00 0.00 H new ATOM 0 HB THR A 366 59.368 -7.346 2.482 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.116 -7.095 3.055 1.00 0.00 H new ATOM 0 HG21 THR A 366 57.721 -9.021 1.803 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.326 -9.725 2.112 1.00 0.00 H new ATOM 0 HG23 THR A 366 58.024 -9.917 3.310 1.00 0.00 H new ATOM 439 N HIS A 367 62.051 -8.184 3.253 1.00 0.00 N ATOM 440 CA HIS A 367 63.098 -8.676 2.414 1.00 0.00 C ATOM 441 C HIS A 367 64.418 -8.434 3.061 1.00 0.00 C ATOM 442 O HIS A 367 64.599 -7.401 3.685 1.00 0.00 O ATOM 443 CB HIS A 367 63.002 -7.975 1.032 1.00 0.00 C ATOM 444 CG HIS A 367 61.839 -8.431 0.147 1.00 0.00 C ATOM 445 ND1 HIS A 367 61.092 -7.536 -0.603 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.376 -9.688 -0.078 1.00 0.00 C ATOM 447 CE1 HIS A 367 60.191 -8.303 -1.262 1.00 0.00 C ATOM 448 NE2 HIS A 367 60.341 -9.594 -0.961 1.00 0.00 N ATOM 0 H HIS A 367 62.117 -7.188 3.461 1.00 0.00 H new ATOM 0 HA HIS A 367 62.995 -9.751 2.267 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.915 -6.901 1.193 1.00 0.00 H new ATOM 0 HB3 HIS A 367 63.934 -8.142 0.493 1.00 0.00 H new ATOM 0 HD2 HIS A 367 61.758 -10.597 0.362 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.447 -7.919 -1.944 1.00 0.00 H new ATOM 0 HE2 HIS A 367 59.784 -10.368 -1.324 1.00 0.00 H new ATOM 456 N SER A 368 65.320 -9.370 2.927 1.00 0.00 N ATOM 457 CA SER A 368 66.612 -9.256 3.530 1.00 0.00 C ATOM 458 C SER A 368 67.534 -8.362 2.772 1.00 0.00 C ATOM 459 O SER A 368 67.363 -8.158 1.566 1.00 0.00 O ATOM 460 CB SER A 368 67.214 -10.609 3.791 1.00 0.00 C ATOM 461 OG SER A 368 67.236 -11.396 2.637 1.00 0.00 O ATOM 0 H SER A 368 65.176 -10.229 2.397 1.00 0.00 H new ATOM 0 HA SER A 368 66.465 -8.771 4.495 1.00 0.00 H new ATOM 0 HB2 SER A 368 68.229 -10.489 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.643 -11.118 4.568 1.00 0.00 H new ATOM 0 HG SER A 368 68.137 -11.385 2.251 1.00 0.00 H new ATOM 467 N LEU A 369 68.505 -7.827 3.494 1.00 0.00 N ATOM 468 CA LEU A 369 69.496 -6.895 3.006 1.00 0.00 C ATOM 469 C LEU A 369 70.081 -7.313 1.684 1.00 0.00 C ATOM 470 O LEU A 369 70.154 -6.489 0.749 1.00 0.00 O ATOM 471 CB LEU A 369 70.573 -6.699 4.099 1.00 0.00 C ATOM 472 CG LEU A 369 71.801 -5.789 3.806 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.870 -6.524 3.014 1.00 0.00 C ATOM 474 CD2 LEU A 369 71.371 -4.565 3.035 1.00 0.00 C ATOM 0 H LEU A 369 68.625 -8.044 4.483 1.00 0.00 H new ATOM 0 HA LEU A 369 69.015 -5.937 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 369 70.074 -6.301 4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.953 -7.686 4.365 1.00 0.00 H new ATOM 0 HG LEU A 369 72.223 -5.496 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.711 -5.855 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 369 73.213 -7.389 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.454 -6.855 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 369 72.239 -3.937 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.920 -4.870 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.643 -4.003 3.620 1.00 0.00 H new ATOM 486 N THR A 370 70.419 -8.570 1.566 1.00 0.00 N ATOM 487 CA THR A 370 71.057 -9.048 0.359 1.00 0.00 C ATOM 488 C THR A 370 70.115 -8.907 -0.837 1.00 0.00 C ATOM 489 O THR A 370 70.537 -8.586 -1.939 1.00 0.00 O ATOM 490 CB THR A 370 71.463 -10.513 0.493 1.00 0.00 C ATOM 491 OG1 THR A 370 72.148 -10.704 1.740 1.00 0.00 O ATOM 492 CG2 THR A 370 72.389 -10.873 -0.644 1.00 0.00 C ATOM 0 H THR A 370 70.267 -9.280 2.282 1.00 0.00 H new ATOM 0 HA THR A 370 71.949 -8.442 0.201 1.00 0.00 H new ATOM 0 HB THR A 370 70.576 -11.146 0.463 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.408 -11.645 1.829 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.684 -11.919 -0.556 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.876 -10.720 -1.593 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.276 -10.241 -0.605 1.00 0.00 H new ATOM 500 N GLN A 371 68.833 -9.018 -0.571 1.00 0.00 N ATOM 501 CA GLN A 371 67.839 -9.033 -1.631 1.00 0.00 C ATOM 502 C GLN A 371 67.632 -7.629 -2.124 1.00 0.00 C ATOM 503 O GLN A 371 67.356 -7.399 -3.296 1.00 0.00 O ATOM 504 CB GLN A 371 66.516 -9.603 -1.140 1.00 0.00 C ATOM 505 CG GLN A 371 66.679 -10.786 -0.209 1.00 0.00 C ATOM 506 CD GLN A 371 65.409 -11.562 0.030 1.00 0.00 C ATOM 507 OE1 GLN A 371 65.430 -12.766 0.253 1.00 0.00 O ATOM 508 NE2 GLN A 371 64.308 -10.890 0.007 1.00 0.00 N ATOM 0 H GLN A 371 68.449 -9.100 0.371 1.00 0.00 H new ATOM 0 HA GLN A 371 68.200 -9.670 -2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 371 65.960 -8.819 -0.626 1.00 0.00 H new ATOM 0 HB3 GLN A 371 65.918 -9.906 -2.000 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.431 -11.459 -0.622 1.00 0.00 H new ATOM 0 HG3 GLN A 371 67.061 -10.431 0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 371 64.326 -9.888 -0.182 1.00 0.00 H new ATOM 0 HE22 GLN A 371 63.419 -11.361 0.178 1.00 0.00 H new ATOM 517 N ARG A 372 67.784 -6.670 -1.219 1.00 0.00 N ATOM 518 CA ARG A 372 67.658 -5.295 -1.615 1.00 0.00 C ATOM 519 C ARG A 372 68.866 -4.883 -2.428 1.00 0.00 C ATOM 520 O ARG A 372 68.735 -4.151 -3.400 1.00 0.00 O ATOM 521 CB ARG A 372 67.492 -4.314 -0.469 1.00 0.00 C ATOM 522 CG ARG A 372 66.230 -4.415 0.366 1.00 0.00 C ATOM 523 CD ARG A 372 66.367 -5.468 1.405 1.00 0.00 C ATOM 524 NE ARG A 372 65.795 -5.072 2.659 1.00 0.00 N ATOM 525 CZ ARG A 372 66.493 -4.609 3.709 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.739 -4.182 3.552 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.918 -4.524 4.886 1.00 0.00 N ATOM 0 H ARG A 372 67.990 -6.824 -0.232 1.00 0.00 H new ATOM 0 HA ARG A 372 66.739 -5.249 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.346 -4.430 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.543 -3.306 -0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 372 66.024 -3.455 0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.380 -4.641 -0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.883 -6.381 1.060 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.422 -5.701 1.547 1.00 0.00 H new ATOM 0 HE ARG A 372 64.783 -5.148 2.761 1.00 0.00 H new ATOM 0 HH11 ARG A 372 68.173 -4.204 2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 372 68.263 -3.832 4.354 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.945 -4.809 5.000 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.444 -4.173 5.686 1.00 0.00 H new ATOM 541 N ARG A 373 70.054 -5.356 -2.017 1.00 0.00 N ATOM 542 CA ARG A 373 71.283 -5.064 -2.752 1.00 0.00 C ATOM 543 C ARG A 373 71.264 -5.709 -4.122 1.00 0.00 C ATOM 544 O ARG A 373 71.810 -5.163 -5.090 1.00 0.00 O ATOM 545 CB ARG A 373 72.498 -5.550 -1.982 1.00 0.00 C ATOM 546 CG ARG A 373 72.940 -4.633 -0.883 1.00 0.00 C ATOM 547 CD ARG A 373 74.150 -5.196 -0.174 1.00 0.00 C ATOM 548 NE ARG A 373 74.810 -4.196 0.663 1.00 0.00 N ATOM 549 CZ ARG A 373 75.848 -4.421 1.471 1.00 0.00 C ATOM 550 NH1 ARG A 373 76.380 -5.637 1.564 1.00 0.00 N ATOM 551 NH2 ARG A 373 76.348 -3.421 2.172 1.00 0.00 N ATOM 0 H ARG A 373 70.183 -5.936 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 373 71.344 -3.982 -2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.276 -6.528 -1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.324 -5.687 -2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 373 73.177 -3.652 -1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 373 72.127 -4.492 -0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.847 -6.042 0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 373 74.858 -5.576 -0.911 1.00 0.00 H new ATOM 0 HE ARG A 373 74.446 -3.244 0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.995 -6.406 1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 373 77.173 -5.801 2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 373 75.941 -2.489 2.093 1.00 0.00 H new ATOM 0 HH22 ARG A 373 77.141 -3.580 2.793 1.00 0.00 H new ATOM 565 N ALA A 374 70.656 -6.871 -4.178 1.00 0.00 N ATOM 566 CA ALA A 374 70.519 -7.642 -5.403 1.00 0.00 C ATOM 567 C ALA A 374 69.721 -6.903 -6.488 1.00 0.00 C ATOM 568 O ALA A 374 70.164 -6.823 -7.641 1.00 0.00 O ATOM 569 CB ALA A 374 69.884 -8.993 -5.111 1.00 0.00 C ATOM 0 H ALA A 374 70.234 -7.319 -3.364 1.00 0.00 H new ATOM 0 HA ALA A 374 71.525 -7.789 -5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 374 69.788 -9.558 -6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.511 -9.546 -4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 374 68.897 -8.844 -4.673 1.00 0.00 H new ATOM 575 N VAL A 375 68.566 -6.376 -6.136 1.00 0.00 N ATOM 576 CA VAL A 375 67.713 -5.705 -7.112 1.00 0.00 C ATOM 577 C VAL A 375 68.218 -4.277 -7.395 1.00 0.00 C ATOM 578 O VAL A 375 68.540 -3.512 -6.474 1.00 0.00 O ATOM 579 CB VAL A 375 66.213 -5.688 -6.664 1.00 0.00 C ATOM 580 CG1 VAL A 375 66.021 -4.874 -5.407 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.310 -5.175 -7.773 1.00 0.00 C ATOM 0 H VAL A 375 68.192 -6.396 -5.187 1.00 0.00 H new ATOM 0 HA VAL A 375 67.768 -6.278 -8.037 1.00 0.00 H new ATOM 0 HB VAL A 375 65.932 -6.718 -6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.968 -4.884 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.617 -5.303 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.339 -3.847 -5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.276 -5.176 -7.430 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.603 -4.160 -8.040 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.403 -5.821 -8.646 1.00 0.00 H new ATOM 591 N GLN A 376 68.261 -3.926 -8.652 1.00 0.00 N ATOM 592 CA GLN A 376 68.741 -2.631 -9.095 1.00 0.00 C ATOM 593 C GLN A 376 67.556 -1.730 -9.489 1.00 0.00 C ATOM 594 O GLN A 376 67.518 -1.123 -10.576 1.00 0.00 O ATOM 595 CB GLN A 376 69.735 -2.830 -10.243 1.00 0.00 C ATOM 596 CG GLN A 376 69.236 -3.782 -11.311 1.00 0.00 C ATOM 597 CD GLN A 376 70.225 -4.026 -12.409 1.00 0.00 C ATOM 598 OE1 GLN A 376 71.439 -3.981 -12.197 1.00 0.00 O ATOM 599 NE2 GLN A 376 69.734 -4.310 -13.568 1.00 0.00 N ATOM 0 H GLN A 376 67.961 -4.535 -9.413 1.00 0.00 H new ATOM 0 HA GLN A 376 69.264 -2.124 -8.284 1.00 0.00 H new ATOM 0 HB2 GLN A 376 69.950 -1.864 -10.699 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.674 -3.208 -9.839 1.00 0.00 H new ATOM 0 HG2 GLN A 376 68.980 -4.734 -10.846 1.00 0.00 H new ATOM 0 HG3 GLN A 376 68.319 -3.382 -11.743 1.00 0.00 H new ATOM 0 HE21 GLN A 376 68.723 -4.337 -13.701 1.00 0.00 H new ATOM 0 HE22 GLN A 376 70.357 -4.508 -14.351 1.00 0.00 H new ATOM 608 N GLY A 377 66.597 -1.663 -8.590 1.00 0.00 N ATOM 609 CA GLY A 377 65.400 -0.872 -8.791 1.00 0.00 C ATOM 610 C GLY A 377 65.637 0.608 -8.653 1.00 0.00 C ATOM 611 O GLY A 377 65.159 1.396 -9.463 1.00 0.00 O ATOM 0 H GLY A 377 66.625 -2.156 -7.698 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.998 -1.078 -9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.643 -1.181 -8.070 1.00 0.00 H new ATOM 615 N ARG A 378 66.412 0.974 -7.669 1.00 0.00 N ATOM 616 CA ARG A 378 66.624 2.359 -7.311 1.00 0.00 C ATOM 617 C ARG A 378 67.519 3.037 -8.306 1.00 0.00 C ATOM 618 O ARG A 378 68.267 2.391 -9.053 1.00 0.00 O ATOM 619 CB ARG A 378 67.265 2.419 -5.946 1.00 0.00 C ATOM 620 CG ARG A 378 66.548 1.596 -4.899 1.00 0.00 C ATOM 621 CD ARG A 378 67.543 1.034 -3.952 1.00 0.00 C ATOM 622 NE ARG A 378 66.943 -0.029 -3.235 1.00 0.00 N ATOM 623 CZ ARG A 378 66.900 -1.255 -3.717 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.334 -1.484 -4.954 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.434 -2.236 -2.990 1.00 0.00 N ATOM 0 H ARG A 378 66.923 0.314 -7.083 1.00 0.00 H new ATOM 0 HA ARG A 378 65.662 2.872 -7.304 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.296 2.073 -6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.301 3.457 -5.617 1.00 0.00 H new ATOM 0 HG2 ARG A 378 65.828 2.215 -4.363 1.00 0.00 H new ATOM 0 HG3 ARG A 378 65.986 0.792 -5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.419 0.677 -4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 378 67.887 1.806 -3.264 1.00 0.00 H new ATOM 0 HE ARG A 378 66.533 0.159 -2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.695 -0.715 -5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.306 -2.429 -5.338 1.00 0.00 H new ATOM 0 HH21 ARG A 378 66.101 -2.055 -2.043 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.404 -3.182 -3.370 1.00 0.00 H new ATOM 639 N ARG A 379 67.453 4.329 -8.288 1.00 0.00 N ATOM 640 CA ARG A 379 68.251 5.189 -9.153 1.00 0.00 C ATOM 641 C ARG A 379 69.719 5.210 -8.739 1.00 0.00 C ATOM 642 O ARG A 379 70.583 5.640 -9.497 1.00 0.00 O ATOM 643 CB ARG A 379 67.646 6.604 -9.188 1.00 0.00 C ATOM 644 CG ARG A 379 67.251 7.156 -7.838 1.00 0.00 C ATOM 645 CD ARG A 379 66.393 8.384 -7.993 1.00 0.00 C ATOM 646 NE ARG A 379 65.702 8.723 -6.740 1.00 0.00 N ATOM 647 CZ ARG A 379 64.584 9.462 -6.651 1.00 0.00 C ATOM 648 NH1 ARG A 379 64.119 10.126 -7.708 1.00 0.00 N ATOM 649 NH2 ARG A 379 63.953 9.558 -5.490 1.00 0.00 N ATOM 0 H ARG A 379 66.833 4.844 -7.663 1.00 0.00 H new ATOM 0 HA ARG A 379 68.225 4.778 -10.162 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.367 7.281 -9.645 1.00 0.00 H new ATOM 0 HB3 ARG A 379 66.767 6.592 -9.832 1.00 0.00 H new ATOM 0 HG2 ARG A 379 66.709 6.397 -7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 379 68.145 7.401 -7.265 1.00 0.00 H new ATOM 0 HD2 ARG A 379 67.013 9.224 -8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 379 65.658 8.218 -8.781 1.00 0.00 H new ATOM 0 HE ARG A 379 66.103 8.370 -5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 379 64.613 10.077 -8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 379 63.269 10.683 -7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 379 64.317 9.072 -4.670 1.00 0.00 H new ATOM 0 HH22 ARG A 379 63.103 10.118 -5.416 1.00 0.00 H new ATOM 663 N LYS A 380 69.988 4.706 -7.555 1.00 0.00 N ATOM 664 CA LYS A 380 71.276 4.677 -6.977 1.00 0.00 C ATOM 665 C LYS A 380 71.461 3.233 -6.518 1.00 0.00 C ATOM 666 O LYS A 380 70.551 2.406 -6.733 1.00 0.00 O ATOM 667 CB LYS A 380 71.215 5.584 -5.754 1.00 0.00 C ATOM 668 CG LYS A 380 70.640 6.953 -6.028 1.00 0.00 C ATOM 669 CD LYS A 380 70.069 7.576 -4.771 1.00 0.00 C ATOM 670 CE LYS A 380 69.244 8.810 -5.102 1.00 0.00 C ATOM 671 NZ LYS A 380 70.060 9.932 -5.591 1.00 0.00 N ATOM 0 H LYS A 380 69.271 4.292 -6.959 1.00 0.00 H new ATOM 0 HA LYS A 380 72.076 4.995 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 380 70.616 5.098 -4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.221 5.699 -5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.417 7.600 -6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 380 69.859 6.876 -6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 380 69.448 6.848 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 380 70.879 7.847 -4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 380 68.501 8.552 -5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 380 68.699 9.125 -4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 69.444 10.744 -5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 70.752 10.201 -4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 70.561 9.646 -6.456 1.00 0.00 H new ATOM 685 N ARG A 381 72.580 2.907 -5.899 1.00 0.00 N ATOM 686 CA ARG A 381 72.728 1.576 -5.287 1.00 0.00 C ATOM 687 C ARG A 381 71.788 1.512 -4.117 1.00 0.00 C ATOM 688 O ARG A 381 71.234 2.525 -3.697 1.00 0.00 O ATOM 689 CB ARG A 381 74.129 1.319 -4.751 1.00 0.00 C ATOM 690 CG ARG A 381 75.246 1.666 -5.671 1.00 0.00 C ATOM 691 CD ARG A 381 76.556 1.190 -5.092 1.00 0.00 C ATOM 692 NE ARG A 381 77.720 1.663 -5.833 1.00 0.00 N ATOM 693 CZ ARG A 381 78.929 1.100 -5.780 1.00 0.00 C ATOM 694 NH1 ARG A 381 79.083 -0.098 -5.215 1.00 0.00 N ATOM 695 NH2 ARG A 381 79.971 1.711 -6.341 1.00 0.00 N ATOM 0 H ARG A 381 73.389 3.520 -5.801 1.00 0.00 H new ATOM 0 HA ARG A 381 72.519 0.832 -6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.254 1.885 -3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.211 0.263 -4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.081 1.207 -6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 381 75.278 2.744 -5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 381 76.631 1.526 -4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 381 76.563 0.100 -5.075 1.00 0.00 H new ATOM 0 HE ARG A 381 77.602 2.480 -6.433 1.00 0.00 H new ATOM 0 HH11 ARG A 381 78.277 -0.584 -4.823 1.00 0.00 H new ATOM 0 HH12 ARG A 381 80.007 -0.528 -5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 381 79.844 2.608 -6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 381 80.896 1.282 -6.301 1.00 0.00 H new ATOM 709 N PHE A 382 71.635 0.376 -3.569 1.00 0.00 N ATOM 710 CA PHE A 382 70.738 0.217 -2.473 1.00 0.00 C ATOM 711 C PHE A 382 71.265 0.843 -1.204 1.00 0.00 C ATOM 712 O PHE A 382 70.530 1.480 -0.481 1.00 0.00 O ATOM 713 CB PHE A 382 70.379 -1.241 -2.244 1.00 0.00 C ATOM 714 CG PHE A 382 69.712 -1.456 -0.913 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.461 -0.935 -0.675 1.00 0.00 C ATOM 716 CD2 PHE A 382 70.359 -2.101 0.113 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.857 -1.060 0.532 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.759 -2.215 1.338 1.00 0.00 C ATOM 719 CZ PHE A 382 68.505 -1.696 1.545 1.00 0.00 C ATOM 0 H PHE A 382 72.119 -0.475 -3.856 1.00 0.00 H new ATOM 0 HA PHE A 382 69.827 0.750 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.717 -1.580 -3.040 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.282 -1.849 -2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 382 67.948 -0.414 -1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 382 71.342 -2.519 -0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.867 -0.657 0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 382 70.274 -2.715 2.145 1.00 0.00 H new ATOM 0 HZ PHE A 382 68.033 -1.793 2.512 1.00 0.00 H new ATOM 729 N ASP A 383 72.513 0.676 -0.961 1.00 0.00 N ATOM 730 CA ASP A 383 73.128 1.143 0.275 1.00 0.00 C ATOM 731 C ASP A 383 73.098 2.628 0.360 1.00 0.00 C ATOM 732 O ASP A 383 72.826 3.193 1.402 1.00 0.00 O ATOM 733 CB ASP A 383 74.555 0.699 0.368 1.00 0.00 C ATOM 734 CG ASP A 383 74.734 -0.770 0.671 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.592 -1.617 -0.240 1.00 0.00 O ATOM 736 OD2 ASP A 383 75.042 -1.108 1.842 1.00 0.00 O ATOM 0 H ASP A 383 73.158 0.213 -1.601 1.00 0.00 H new ATOM 0 HA ASP A 383 72.553 0.714 1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.056 0.927 -0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 383 75.054 1.281 1.143 1.00 0.00 H new ATOM 741 N VAL A 384 73.354 3.256 -0.748 1.00 0.00 N ATOM 742 CA VAL A 384 73.379 4.687 -0.817 1.00 0.00 C ATOM 743 C VAL A 384 71.967 5.230 -0.706 1.00 0.00 C ATOM 744 O VAL A 384 71.722 6.296 -0.157 1.00 0.00 O ATOM 745 CB VAL A 384 74.043 5.137 -2.109 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.209 4.847 -3.320 1.00 0.00 C ATOM 747 CG2 VAL A 384 74.541 6.568 -2.054 1.00 0.00 C ATOM 0 H VAL A 384 73.552 2.789 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 384 73.963 5.081 0.015 1.00 0.00 H new ATOM 0 HB VAL A 384 74.939 4.525 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 384 73.732 5.189 -4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 384 73.033 3.774 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.254 5.367 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.004 6.829 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 384 73.703 7.238 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.274 6.667 -1.254 1.00 0.00 H new ATOM 757 N LEU A 385 71.063 4.472 -1.233 1.00 0.00 N ATOM 758 CA LEU A 385 69.692 4.738 -1.176 1.00 0.00 C ATOM 759 C LEU A 385 69.229 4.620 0.262 1.00 0.00 C ATOM 760 O LEU A 385 68.484 5.461 0.762 1.00 0.00 O ATOM 761 CB LEU A 385 68.992 3.747 -2.104 1.00 0.00 C ATOM 762 CG LEU A 385 67.512 3.876 -2.315 1.00 0.00 C ATOM 763 CD1 LEU A 385 66.819 3.139 -1.200 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.140 5.339 -2.326 1.00 0.00 C ATOM 0 H LEU A 385 71.287 3.613 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 385 69.453 5.748 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.472 3.814 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.185 2.744 -1.722 1.00 0.00 H new ATOM 0 HG LEU A 385 67.207 3.446 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 385 65.739 3.216 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.112 2.089 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.103 3.577 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.066 5.440 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.415 5.792 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 385 67.670 5.843 -3.134 1.00 0.00 H new ATOM 776 N LEU A 386 69.685 3.588 0.925 1.00 0.00 N ATOM 777 CA LEU A 386 69.344 3.397 2.309 1.00 0.00 C ATOM 778 C LEU A 386 69.977 4.502 3.130 1.00 0.00 C ATOM 779 O LEU A 386 69.423 4.921 4.121 1.00 0.00 O ATOM 780 CB LEU A 386 69.825 2.072 2.833 1.00 0.00 C ATOM 781 CG LEU A 386 68.808 1.172 3.576 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.523 0.081 4.352 1.00 0.00 C ATOM 783 CD2 LEU A 386 67.877 1.953 4.496 1.00 0.00 C ATOM 0 H LEU A 386 70.291 2.870 0.529 1.00 0.00 H new ATOM 0 HA LEU A 386 68.257 3.418 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.221 1.504 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.658 2.263 3.509 1.00 0.00 H new ATOM 0 HG LEU A 386 68.182 0.718 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.790 -0.540 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.101 -0.536 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.192 0.534 5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.189 1.265 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.465 2.477 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.310 2.677 3.911 1.00 0.00 H new ATOM 795 N ALA A 387 71.136 4.959 2.696 1.00 0.00 N ATOM 796 CA ALA A 387 71.825 6.069 3.331 1.00 0.00 C ATOM 797 C ALA A 387 70.954 7.323 3.268 1.00 0.00 C ATOM 798 O ALA A 387 70.845 8.067 4.238 1.00 0.00 O ATOM 799 CB ALA A 387 73.159 6.308 2.655 1.00 0.00 C ATOM 0 H ALA A 387 71.628 4.571 1.891 1.00 0.00 H new ATOM 0 HA ALA A 387 72.010 5.827 4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.668 7.142 3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.774 5.412 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 387 72.997 6.542 1.603 1.00 0.00 H new ATOM 805 N GLU A 388 70.295 7.517 2.137 1.00 0.00 N ATOM 806 CA GLU A 388 69.380 8.615 1.961 1.00 0.00 C ATOM 807 C GLU A 388 68.153 8.391 2.793 1.00 0.00 C ATOM 808 O GLU A 388 67.567 9.340 3.335 1.00 0.00 O ATOM 809 CB GLU A 388 69.017 8.740 0.517 1.00 0.00 C ATOM 810 CG GLU A 388 70.150 9.261 -0.308 1.00 0.00 C ATOM 811 CD GLU A 388 70.588 10.637 0.120 1.00 0.00 C ATOM 812 OE1 GLU A 388 70.046 11.638 -0.415 1.00 0.00 O ATOM 813 OE2 GLU A 388 71.491 10.760 0.976 1.00 0.00 O ATOM 0 H GLU A 388 70.385 6.913 1.320 1.00 0.00 H new ATOM 0 HA GLU A 388 69.856 9.541 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 388 68.710 7.766 0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 388 68.160 9.406 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.994 8.575 -0.235 1.00 0.00 H new ATOM 0 HG3 GLU A 388 69.850 9.288 -1.356 1.00 0.00 H new ATOM 820 N HIS A 389 67.762 7.126 2.908 1.00 0.00 N ATOM 821 CA HIS A 389 66.685 6.745 3.760 1.00 0.00 C ATOM 822 C HIS A 389 66.999 7.088 5.151 1.00 0.00 C ATOM 823 O HIS A 389 66.238 7.708 5.762 1.00 0.00 O ATOM 824 CB HIS A 389 66.311 5.285 3.643 1.00 0.00 C ATOM 825 CG HIS A 389 65.194 4.921 4.525 1.00 0.00 C ATOM 826 ND1 HIS A 389 63.976 5.515 4.483 1.00 0.00 N ATOM 827 CD2 HIS A 389 65.176 4.100 5.562 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.269 5.076 5.477 1.00 0.00 C ATOM 829 NE2 HIS A 389 63.962 4.204 6.141 1.00 0.00 N ATOM 0 H HIS A 389 68.194 6.350 2.406 1.00 0.00 H new ATOM 0 HA HIS A 389 65.811 7.307 3.430 1.00 0.00 H new ATOM 0 HB2 HIS A 389 66.042 5.063 2.610 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.178 4.670 3.886 1.00 0.00 H new ATOM 0 HD1 HIS A 389 63.668 6.193 3.786 1.00 0.00 H new ATOM 0 HD2 HIS A 389 65.985 3.463 5.886 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.262 5.387 5.714 1.00 0.00 H new ATOM 838 N LYS A 390 68.114 6.681 5.634 1.00 0.00 N ATOM 839 CA LYS A 390 68.507 6.989 6.973 1.00 0.00 C ATOM 840 C LYS A 390 68.738 8.442 7.191 1.00 0.00 C ATOM 841 O LYS A 390 68.667 8.915 8.273 1.00 0.00 O ATOM 842 CB LYS A 390 69.638 6.144 7.412 1.00 0.00 C ATOM 843 CG LYS A 390 69.340 4.682 7.153 1.00 0.00 C ATOM 844 CD LYS A 390 68.050 4.221 7.839 1.00 0.00 C ATOM 845 CE LYS A 390 68.277 4.040 9.311 1.00 0.00 C ATOM 846 NZ LYS A 390 69.466 3.211 9.645 1.00 0.00 N ATOM 0 H LYS A 390 68.790 6.121 5.114 1.00 0.00 H new ATOM 0 HA LYS A 390 67.664 6.741 7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.545 6.436 6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.825 6.300 8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.257 4.515 6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.174 4.075 7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.261 4.954 7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 390 67.711 3.283 7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.390 5.021 9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.392 3.580 9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.360 2.822 10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.548 2.431 8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.322 3.800 9.603 1.00 0.00 H new ATOM 860 N ASN A 391 69.065 9.140 6.209 1.00 0.00 N ATOM 861 CA ASN A 391 69.170 10.548 6.416 1.00 0.00 C ATOM 862 C ASN A 391 67.772 11.191 6.568 1.00 0.00 C ATOM 863 O ASN A 391 67.617 12.191 7.266 1.00 0.00 O ATOM 864 CB ASN A 391 70.050 11.223 5.366 1.00 0.00 C ATOM 865 CG ASN A 391 71.530 11.217 5.708 1.00 0.00 C ATOM 866 OD1 ASN A 391 72.037 12.145 6.343 1.00 0.00 O ATOM 867 ND2 ASN A 391 72.228 10.201 5.293 1.00 0.00 N ATOM 0 H ASN A 391 69.266 8.801 5.268 1.00 0.00 H new ATOM 0 HA ASN A 391 69.687 10.714 7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.906 10.722 4.409 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.721 12.254 5.238 1.00 0.00 H new ATOM 0 HD21 ASN A 391 73.228 10.154 5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.776 9.451 4.770 1.00 0.00 H new ATOM 874 N LYS A 392 66.762 10.586 5.953 1.00 0.00 N ATOM 875 CA LYS A 392 65.402 11.039 6.090 1.00 0.00 C ATOM 876 C LYS A 392 64.740 10.315 7.280 1.00 0.00 C ATOM 877 O LYS A 392 64.458 10.905 8.309 1.00 0.00 O ATOM 878 CB LYS A 392 64.622 10.696 4.816 1.00 0.00 C ATOM 879 CG LYS A 392 63.220 11.276 4.779 1.00 0.00 C ATOM 880 CD LYS A 392 63.143 12.648 4.077 1.00 0.00 C ATOM 881 CE LYS A 392 63.996 13.736 4.731 1.00 0.00 C ATOM 882 NZ LYS A 392 63.566 14.059 6.108 1.00 0.00 N ATOM 0 H LYS A 392 66.873 9.771 5.350 1.00 0.00 H new ATOM 0 HA LYS A 392 65.395 12.116 6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 392 65.178 11.060 3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.559 9.612 4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.559 10.577 4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.849 11.377 5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 392 63.457 12.531 3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 392 62.104 12.977 4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 392 65.037 13.412 4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 392 63.953 14.639 4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 64.221 14.752 6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 62.606 14.459 6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 63.568 13.193 6.684 1.00 0.00 H new ATOM 896 N THR A 393 64.587 9.029 7.124 1.00 0.00 N ATOM 897 CA THR A 393 63.977 8.155 8.059 1.00 0.00 C ATOM 898 C THR A 393 65.021 7.154 8.595 1.00 0.00 C ATOM 899 O THR A 393 65.085 5.978 8.231 1.00 0.00 O ATOM 900 CB THR A 393 62.890 7.378 7.402 1.00 0.00 C ATOM 901 OG1 THR A 393 62.018 8.257 6.669 1.00 0.00 O ATOM 902 CG2 THR A 393 62.113 6.570 8.424 1.00 0.00 C ATOM 0 H THR A 393 64.908 8.544 6.286 1.00 0.00 H new ATOM 0 HA THR A 393 63.569 8.754 8.873 1.00 0.00 H new ATOM 0 HB THR A 393 63.342 6.680 6.697 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.309 7.733 6.241 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.324 6.010 7.922 1.00 0.00 H new ATOM 0 HG22 THR A 393 62.786 5.876 8.927 1.00 0.00 H new ATOM 0 HG23 THR A 393 61.670 7.242 9.159 1.00 0.00 H new ATOM 910 N ARG A 394 65.904 7.715 9.257 1.00 0.00 N ATOM 911 CA ARG A 394 66.934 7.120 10.106 1.00 0.00 C ATOM 912 C ARG A 394 66.424 6.088 11.136 1.00 0.00 C ATOM 913 O ARG A 394 67.193 5.606 11.949 1.00 0.00 O ATOM 914 CB ARG A 394 67.732 8.238 10.789 1.00 0.00 C ATOM 915 CG ARG A 394 66.918 9.220 11.566 1.00 0.00 C ATOM 916 CD ARG A 394 67.781 10.088 12.449 1.00 0.00 C ATOM 917 NE ARG A 394 68.507 9.298 13.451 1.00 0.00 N ATOM 918 CZ ARG A 394 69.215 9.805 14.460 1.00 0.00 C ATOM 919 NH1 ARG A 394 69.291 11.127 14.634 1.00 0.00 N ATOM 920 NH2 ARG A 394 69.860 8.990 15.277 1.00 0.00 N ATOM 0 H ARG A 394 65.979 8.732 9.253 1.00 0.00 H new ATOM 0 HA ARG A 394 67.575 6.537 9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 394 68.461 7.784 11.460 1.00 0.00 H new ATOM 0 HB3 ARG A 394 68.294 8.779 10.027 1.00 0.00 H new ATOM 0 HG2 ARG A 394 66.353 9.849 10.878 1.00 0.00 H new ATOM 0 HG3 ARG A 394 66.192 8.686 12.179 1.00 0.00 H new ATOM 0 HD2 ARG A 394 68.494 10.637 11.833 1.00 0.00 H new ATOM 0 HD3 ARG A 394 67.158 10.828 12.952 1.00 0.00 H new ATOM 0 HE ARG A 394 68.466 8.282 13.369 1.00 0.00 H new ATOM 0 HH11 ARG A 394 68.806 11.755 13.993 1.00 0.00 H new ATOM 0 HH12 ARG A 394 69.834 11.509 15.408 1.00 0.00 H new ATOM 0 HH21 ARG A 394 69.814 7.981 15.133 1.00 0.00 H new ATOM 0 HH22 ARG A 394 70.404 9.370 16.052 1.00 0.00 H new ATOM 934 N GLU A 395 65.174 5.731 11.060 1.00 0.00 N ATOM 935 CA GLU A 395 64.621 4.746 11.902 1.00 0.00 C ATOM 936 C GLU A 395 64.578 3.440 11.142 1.00 0.00 C ATOM 937 O GLU A 395 63.841 3.311 10.157 1.00 0.00 O ATOM 938 CB GLU A 395 63.212 5.117 12.298 1.00 0.00 C ATOM 939 CG GLU A 395 63.075 6.471 12.930 1.00 0.00 C ATOM 940 CD GLU A 395 61.716 6.664 13.509 1.00 0.00 C ATOM 941 OE1 GLU A 395 60.746 6.880 12.747 1.00 0.00 O ATOM 942 OE2 GLU A 395 61.584 6.580 14.739 1.00 0.00 O ATOM 0 H GLU A 395 64.512 6.131 10.396 1.00 0.00 H new ATOM 0 HA GLU A 395 65.231 4.659 12.801 1.00 0.00 H new ATOM 0 HB2 GLU A 395 62.578 5.079 11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 395 62.835 4.367 12.993 1.00 0.00 H new ATOM 0 HG2 GLU A 395 63.825 6.587 13.712 1.00 0.00 H new ATOM 0 HG3 GLU A 395 63.268 7.243 12.185 1.00 0.00 H new ATOM 949 N LYS A 396 65.382 2.512 11.532 1.00 0.00 N ATOM 950 CA LYS A 396 65.340 1.210 10.941 1.00 0.00 C ATOM 951 C LYS A 396 64.811 0.278 11.980 1.00 0.00 C ATOM 952 O LYS A 396 65.095 0.465 13.168 1.00 0.00 O ATOM 953 CB LYS A 396 66.725 0.763 10.472 1.00 0.00 C ATOM 954 CG LYS A 396 66.706 -0.551 9.711 1.00 0.00 C ATOM 955 CD LYS A 396 68.029 -0.820 9.051 1.00 0.00 C ATOM 956 CE LYS A 396 67.957 -2.030 8.122 1.00 0.00 C ATOM 957 NZ LYS A 396 67.654 -3.290 8.836 1.00 0.00 N ATOM 0 H LYS A 396 66.084 2.628 12.263 1.00 0.00 H new ATOM 0 HA LYS A 396 64.701 1.217 10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 396 67.153 1.537 9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 396 67.380 0.664 11.338 1.00 0.00 H new ATOM 0 HG2 LYS A 396 66.466 -1.366 10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 396 65.920 -0.525 8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 396 68.338 0.058 8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 396 68.789 -0.991 9.814 1.00 0.00 H new ATOM 0 HE2 LYS A 396 67.192 -1.855 7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 396 68.907 -2.135 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 67.651 -4.080 8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 68.377 -3.459 9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 66.720 -3.217 9.287 1.00 0.00 H new ATOM 971 N GLU A 397 64.043 -0.705 11.593 1.00 0.00 N ATOM 972 CA GLU A 397 63.538 -1.619 12.554 1.00 0.00 C ATOM 973 C GLU A 397 64.526 -2.694 12.877 1.00 0.00 C ATOM 974 O GLU A 397 64.396 -3.850 12.463 1.00 0.00 O ATOM 975 CB GLU A 397 62.177 -2.165 12.210 1.00 0.00 C ATOM 976 CG GLU A 397 61.077 -1.192 12.448 1.00 0.00 C ATOM 977 CD GLU A 397 59.728 -1.758 12.150 1.00 0.00 C ATOM 978 OE1 GLU A 397 59.206 -2.539 12.968 1.00 0.00 O ATOM 979 OE2 GLU A 397 59.146 -1.413 11.107 1.00 0.00 O ATOM 0 H GLU A 397 63.762 -0.884 10.629 1.00 0.00 H new ATOM 0 HA GLU A 397 63.389 -1.041 13.466 1.00 0.00 H new ATOM 0 HB2 GLU A 397 62.167 -2.465 11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 397 61.993 -3.063 12.800 1.00 0.00 H new ATOM 0 HG2 GLU A 397 61.107 -0.864 13.487 1.00 0.00 H new ATOM 0 HG3 GLU A 397 61.240 -0.309 11.830 1.00 0.00 H new TER 986 GLU A 397 HETATM 987 ZN ZN A 500 60.890 -5.485 -0.215 1.00 0.00 ZN