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= -0.462 K(o=0.39,f=-5.7!) USER MOD Set 1.2: A 359 THR OG1 : rot 97:sc= 0.856 USER MOD Single : A 354 THR OG1 : rot -75:sc= -1.3 USER MOD Single : A 355 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0381) USER MOD Single : A 356 LYS NZ :NH3+ 136:sc= -0.171 (180deg=-0.624) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 363 THR OG1 : rot -43:sc= 0.663 USER MOD Single : A 365 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0207) USER MOD Single : A 366 THR OG1 : rot -50:sc= -0.136 USER MOD Single : A 368 SER OG : rot 180:sc= -1.65! USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -2.18 K(o=-2.2,f=-0.0059) USER MOD Single : A 376 GLN : amide:sc= -3.37! C(o=-3.4!,f=-2.7!) USER MOD Single : A 380 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0211) USER MOD Single : A 389 HIS : no HE2:sc= -6.83! C(o=-6.8!,f=-6.5!) USER MOD Single : A 390 LYS NZ :NH3+ -153:sc= -0.182 (180deg=-0.745) USER MOD Single : A 391 ASN : amide:sc= 1.17 K(o=1.2,f=-0.04) USER MOD Single : A 392 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot 180:sc= -0.0786 USER MOD Single : A 396 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 339 51.514 0.962 -3.311 1.00 0.00 N ATOM 2 CA ARG A 339 50.696 1.854 -4.041 1.00 0.00 C ATOM 3 C ARG A 339 51.170 1.986 -5.399 1.00 0.00 C ATOM 4 O ARG A 339 50.776 1.257 -6.299 1.00 0.00 O ATOM 5 CB ARG A 339 50.629 3.197 -3.374 1.00 0.00 C ATOM 6 CG ARG A 339 50.019 3.253 -2.009 1.00 0.00 C ATOM 7 CD ARG A 339 50.254 4.628 -1.429 1.00 0.00 C ATOM 8 NE ARG A 339 51.665 5.043 -1.630 1.00 0.00 N ATOM 9 CZ ARG A 339 52.061 6.293 -1.880 1.00 0.00 C ATOM 10 NH1 ARG A 339 51.220 7.305 -1.694 1.00 0.00 N ATOM 11 NH2 ARG A 339 53.310 6.523 -2.281 1.00 0.00 N ATOM 0 HA ARG A 339 49.688 1.439 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 339 51.643 3.592 -3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 339 50.067 3.869 -4.023 1.00 0.00 H new ATOM 0 HG2 ARG A 339 48.951 3.044 -2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 339 50.461 2.491 -1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 339 49.586 5.348 -1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 339 50.018 4.626 -0.365 1.00 0.00 H new ATOM 0 HE ARG A 339 52.383 4.321 -1.573 1.00 0.00 H new ATOM 0 HH11 ARG A 339 50.273 7.126 -1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 339 51.522 8.260 -1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 339 53.960 5.745 -2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 339 53.617 7.477 -2.473 1.00 0.00 H new ATOM 25 N GLU A 340 52.012 2.867 -5.548 1.00 0.00 N ATOM 26 CA GLU A 340 52.559 3.123 -6.739 1.00 0.00 C ATOM 27 C GLU A 340 54.016 2.872 -6.537 1.00 0.00 C ATOM 28 O GLU A 340 54.743 3.642 -5.930 1.00 0.00 O ATOM 29 CB GLU A 340 52.172 4.536 -7.209 1.00 0.00 C ATOM 30 CG GLU A 340 52.994 5.655 -6.638 1.00 0.00 C ATOM 31 CD GLU A 340 52.250 6.954 -6.523 1.00 0.00 C ATOM 32 OE1 GLU A 340 51.036 6.945 -6.212 1.00 0.00 O ATOM 33 OE2 GLU A 340 52.860 8.012 -6.753 1.00 0.00 O ATOM 0 H GLU A 340 52.354 3.461 -4.792 1.00 0.00 H new ATOM 0 HA GLU A 340 52.203 2.493 -7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 340 52.247 4.572 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 340 51.126 4.711 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 340 53.352 5.363 -5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 340 53.873 5.804 -7.265 1.00 0.00 H new ATOM 40 N PHE A 341 54.311 1.649 -6.714 1.00 0.00 N ATOM 41 CA PHE A 341 55.679 1.208 -6.801 1.00 0.00 C ATOM 42 C PHE A 341 56.563 2.232 -7.470 1.00 0.00 C ATOM 43 O PHE A 341 56.369 2.610 -8.639 1.00 0.00 O ATOM 44 CB PHE A 341 55.825 -0.110 -7.530 1.00 0.00 C ATOM 45 CG PHE A 341 57.251 -0.494 -7.707 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.079 -0.608 -6.612 1.00 0.00 C ATOM 47 CD2 PHE A 341 57.761 -0.744 -8.962 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.372 -0.962 -6.757 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.071 -1.106 -9.119 1.00 0.00 C ATOM 50 CZ PHE A 341 59.878 -1.219 -8.014 1.00 0.00 C ATOM 0 H PHE A 341 53.621 0.904 -6.806 1.00 0.00 H new ATOM 0 HA PHE A 341 55.999 1.072 -5.768 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.306 -0.891 -6.975 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.345 -0.040 -8.506 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.688 -0.411 -5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.122 -0.654 -9.828 1.00 0.00 H new ATOM 0 HE1 PHE A 341 60.011 -1.044 -5.890 1.00 0.00 H new ATOM 0 HE2 PHE A 341 59.467 -1.301 -10.105 1.00 0.00 H new ATOM 0 HZ PHE A 341 60.912 -1.510 -8.129 1.00 0.00 H new ATOM 60 N ASP A 342 57.510 2.656 -6.723 1.00 0.00 N ATOM 61 CA ASP A 342 58.467 3.605 -7.182 1.00 0.00 C ATOM 62 C ASP A 342 59.797 2.923 -7.122 1.00 0.00 C ATOM 63 O ASP A 342 60.384 2.858 -6.064 1.00 0.00 O ATOM 64 CB ASP A 342 58.529 4.929 -6.344 1.00 0.00 C ATOM 65 CG ASP A 342 57.254 5.758 -6.342 1.00 0.00 C ATOM 66 OD1 ASP A 342 56.850 6.243 -7.430 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.661 5.978 -5.260 1.00 0.00 O ATOM 0 H ASP A 342 57.650 2.353 -5.759 1.00 0.00 H new ATOM 0 HA ASP A 342 58.180 3.916 -8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.780 4.676 -5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.342 5.545 -6.728 1.00 0.00 H new ATOM 72 N PRO A 343 60.291 2.347 -8.223 1.00 0.00 N ATOM 73 CA PRO A 343 61.531 1.578 -8.185 1.00 0.00 C ATOM 74 C PRO A 343 62.697 2.400 -7.774 1.00 0.00 C ATOM 75 O PRO A 343 63.505 1.981 -6.969 1.00 0.00 O ATOM 76 CB PRO A 343 61.718 1.080 -9.607 1.00 0.00 C ATOM 77 CG PRO A 343 60.862 1.942 -10.453 1.00 0.00 C ATOM 78 CD PRO A 343 59.715 2.391 -9.580 1.00 0.00 C ATOM 0 HA PRO A 343 61.468 0.774 -7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 343 62.763 1.148 -9.911 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.428 0.033 -9.696 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.423 2.798 -10.828 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.497 1.394 -11.322 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.377 3.394 -9.842 1.00 0.00 H new ATOM 0 HD3 PRO A 343 58.854 1.730 -9.674 1.00 0.00 H new ATOM 86 N ASP A 344 62.713 3.600 -8.271 1.00 0.00 N ATOM 87 CA ASP A 344 63.793 4.523 -8.079 1.00 0.00 C ATOM 88 C ASP A 344 63.995 4.897 -6.638 1.00 0.00 C ATOM 89 O ASP A 344 65.103 5.283 -6.239 1.00 0.00 O ATOM 90 CB ASP A 344 63.547 5.780 -8.879 1.00 0.00 C ATOM 91 CG ASP A 344 63.685 5.575 -10.353 1.00 0.00 C ATOM 92 OD1 ASP A 344 62.685 5.220 -11.011 1.00 0.00 O ATOM 93 OD2 ASP A 344 64.795 5.776 -10.889 1.00 0.00 O ATOM 0 H ASP A 344 61.953 3.976 -8.838 1.00 0.00 H new ATOM 0 HA ASP A 344 64.696 4.018 -8.420 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.545 6.151 -8.662 1.00 0.00 H new ATOM 0 HB3 ASP A 344 64.248 6.550 -8.558 1.00 0.00 H new ATOM 98 N ILE A 345 62.961 4.756 -5.862 1.00 0.00 N ATOM 99 CA ILE A 345 62.982 5.245 -4.510 1.00 0.00 C ATOM 100 C ILE A 345 62.755 4.107 -3.502 1.00 0.00 C ATOM 101 O ILE A 345 63.224 4.161 -2.380 1.00 0.00 O ATOM 102 CB ILE A 345 61.910 6.395 -4.327 1.00 0.00 C ATOM 103 CG1 ILE A 345 60.652 5.921 -3.611 1.00 0.00 C ATOM 104 CG2 ILE A 345 61.545 7.035 -5.672 1.00 0.00 C ATOM 105 CD1 ILE A 345 59.582 6.985 -3.478 1.00 0.00 C ATOM 0 H ILE A 345 62.089 4.306 -6.141 1.00 0.00 H new ATOM 0 HA ILE A 345 63.970 5.661 -4.311 1.00 0.00 H new ATOM 0 HB ILE A 345 62.379 7.148 -3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 345 60.238 5.069 -4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 345 60.924 5.567 -2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.807 7.821 -5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 345 62.439 7.463 -6.126 1.00 0.00 H new ATOM 0 HG23 ILE A 345 61.130 6.276 -6.335 1.00 0.00 H new ATOM 0 HD11 ILE A 345 58.719 6.570 -2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 345 59.976 7.829 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 345 59.280 7.323 -4.469 1.00 0.00 H new ATOM 117 N HIS A 346 62.063 3.080 -3.927 1.00 0.00 N ATOM 118 CA HIS A 346 61.666 2.014 -3.061 1.00 0.00 C ATOM 119 C HIS A 346 62.434 0.732 -3.250 1.00 0.00 C ATOM 120 O HIS A 346 63.401 0.660 -3.982 1.00 0.00 O ATOM 121 CB HIS A 346 60.158 1.801 -3.152 1.00 0.00 C ATOM 122 CG HIS A 346 59.430 2.786 -2.312 1.00 0.00 C ATOM 123 ND1 HIS A 346 58.478 3.620 -2.810 1.00 0.00 N ATOM 124 CD2 HIS A 346 59.561 2.999 -1.000 1.00 0.00 C ATOM 125 CE1 HIS A 346 58.047 4.323 -1.766 1.00 0.00 C ATOM 126 NE2 HIS A 346 58.681 3.973 -0.653 1.00 0.00 N ATOM 0 H HIS A 346 61.760 2.965 -4.894 1.00 0.00 H new ATOM 0 HA HIS A 346 61.923 2.328 -2.049 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.836 1.894 -4.189 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.910 0.790 -2.830 1.00 0.00 H new ATOM 0 HD2 HIS A 346 60.243 2.489 -0.336 1.00 0.00 H new ATOM 0 HE1 HIS A 346 57.280 5.081 -1.817 1.00 0.00 H new ATOM 0 HE2 HIS A 346 58.535 4.360 0.279 1.00 0.00 H new ATOM 134 N CYS A 347 61.975 -0.276 -2.542 1.00 0.00 N ATOM 135 CA CYS A 347 62.608 -1.586 -2.466 1.00 0.00 C ATOM 136 C CYS A 347 62.770 -2.257 -3.839 1.00 0.00 C ATOM 137 O CYS A 347 63.831 -2.765 -4.129 1.00 0.00 O ATOM 138 CB CYS A 347 61.809 -2.454 -1.465 1.00 0.00 C ATOM 139 SG CYS A 347 62.411 -4.163 -1.092 1.00 0.00 S ATOM 0 H CYS A 347 61.124 -0.210 -1.983 1.00 0.00 H new ATOM 0 HA CYS A 347 63.630 -1.467 -2.105 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.758 -1.909 -0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.789 -2.538 -1.841 1.00 0.00 H new ATOM 144 N GLY A 348 61.702 -2.340 -4.620 1.00 0.00 N ATOM 145 CA GLY A 348 61.821 -2.911 -5.967 1.00 0.00 C ATOM 146 C GLY A 348 62.060 -4.395 -5.985 1.00 0.00 C ATOM 147 O GLY A 348 62.290 -4.975 -7.027 1.00 0.00 O ATOM 0 H GLY A 348 60.765 -2.031 -4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 348 60.910 -2.694 -6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.640 -2.416 -6.489 1.00 0.00 H new ATOM 151 N VAL A 349 61.954 -5.013 -4.841 1.00 0.00 N ATOM 152 CA VAL A 349 62.173 -6.429 -4.765 1.00 0.00 C ATOM 153 C VAL A 349 60.887 -7.026 -4.972 1.00 0.00 C ATOM 154 O VAL A 349 59.975 -6.835 -4.156 1.00 0.00 O ATOM 155 CB VAL A 349 62.773 -6.924 -3.417 1.00 0.00 C ATOM 156 CG1 VAL A 349 62.981 -8.434 -3.431 1.00 0.00 C ATOM 157 CG2 VAL A 349 64.074 -6.232 -3.107 1.00 0.00 C ATOM 0 H VAL A 349 61.719 -4.563 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 349 62.915 -6.711 -5.512 1.00 0.00 H new ATOM 0 HB VAL A 349 62.055 -6.675 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.401 -8.752 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.024 -8.932 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 349 63.666 -8.699 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.466 -6.601 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.793 -6.436 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.907 -5.157 -3.037 1.00 0.00 H new ATOM 167 N ILE A 350 60.771 -7.643 -6.076 1.00 0.00 N ATOM 168 CA ILE A 350 59.580 -8.271 -6.414 1.00 0.00 C ATOM 169 C ILE A 350 59.334 -9.421 -5.489 1.00 0.00 C ATOM 170 O ILE A 350 60.179 -10.306 -5.313 1.00 0.00 O ATOM 171 CB ILE A 350 59.505 -8.613 -7.897 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.502 -7.262 -8.658 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.287 -9.477 -8.185 1.00 0.00 C ATOM 174 CD1 ILE A 350 59.051 -7.292 -10.089 1.00 0.00 C ATOM 0 H ILE A 350 61.511 -7.723 -6.773 1.00 0.00 H new ATOM 0 HA ILE A 350 58.752 -7.576 -6.271 1.00 0.00 H new ATOM 0 HB ILE A 350 60.356 -9.209 -8.228 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.861 -6.567 -8.115 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.512 -6.853 -8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.250 -9.711 -9.249 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.353 -10.402 -7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.383 -8.938 -7.901 1.00 0.00 H new ATOM 0 HD11 ILE A 350 59.096 -6.286 -10.506 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.703 -7.951 -10.662 1.00 0.00 H new ATOM 0 HD13 ILE A 350 58.027 -7.661 -10.140 1.00 0.00 H new ATOM 186 N ASP A 351 58.212 -9.348 -4.875 1.00 0.00 N ATOM 187 CA ASP A 351 57.850 -10.188 -3.802 1.00 0.00 C ATOM 188 C ASP A 351 57.396 -11.494 -4.339 1.00 0.00 C ATOM 189 O ASP A 351 56.570 -11.538 -5.194 1.00 0.00 O ATOM 190 CB ASP A 351 56.719 -9.510 -3.078 1.00 0.00 C ATOM 191 CG ASP A 351 56.437 -10.070 -1.750 1.00 0.00 C ATOM 192 OD1 ASP A 351 57.082 -9.640 -0.772 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.521 -10.872 -1.641 1.00 0.00 O ATOM 0 H ASP A 351 57.490 -8.670 -5.120 1.00 0.00 H new ATOM 0 HA ASP A 351 58.690 -10.362 -3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 351 56.953 -8.451 -2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 351 55.818 -9.578 -3.688 1.00 0.00 H new ATOM 198 N LEU A 352 57.965 -12.536 -3.874 1.00 0.00 N ATOM 199 CA LEU A 352 57.619 -13.867 -4.299 1.00 0.00 C ATOM 200 C LEU A 352 56.354 -14.381 -3.621 1.00 0.00 C ATOM 201 O LEU A 352 55.801 -15.421 -4.017 1.00 0.00 O ATOM 202 CB LEU A 352 58.804 -14.776 -4.065 1.00 0.00 C ATOM 203 CG LEU A 352 59.845 -14.893 -5.192 1.00 0.00 C ATOM 204 CD1 LEU A 352 59.362 -15.849 -6.269 1.00 0.00 C ATOM 205 CD2 LEU A 352 60.156 -13.543 -5.831 1.00 0.00 C ATOM 0 H LEU A 352 58.703 -12.506 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 352 57.388 -13.851 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 352 59.318 -14.433 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 352 58.424 -15.776 -3.853 1.00 0.00 H new ATOM 0 HG LEU A 352 60.758 -15.276 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 352 60.112 -15.918 -7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 352 59.200 -16.835 -5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 352 58.426 -15.480 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 352 60.895 -13.676 -6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 352 59.244 -13.122 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.551 -12.865 -5.075 1.00 0.00 H new ATOM 217 N ASP A 353 55.895 -13.671 -2.608 1.00 0.00 N ATOM 218 CA ASP A 353 54.690 -14.031 -1.911 1.00 0.00 C ATOM 219 C ASP A 353 53.494 -13.437 -2.632 1.00 0.00 C ATOM 220 O ASP A 353 52.512 -14.125 -2.921 1.00 0.00 O ATOM 221 CB ASP A 353 54.723 -13.534 -0.452 1.00 0.00 C ATOM 222 CG ASP A 353 55.690 -14.271 0.455 1.00 0.00 C ATOM 223 OD1 ASP A 353 55.280 -15.268 1.088 1.00 0.00 O ATOM 224 OD2 ASP A 353 56.875 -13.848 0.599 1.00 0.00 O ATOM 0 H ASP A 353 56.351 -12.831 -2.251 1.00 0.00 H new ATOM 0 HA ASP A 353 54.610 -15.118 -1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.982 -12.475 -0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 353 53.720 -13.617 -0.033 1.00 0.00 H new ATOM 229 N THR A 354 53.587 -12.171 -2.940 1.00 0.00 N ATOM 230 CA THR A 354 52.517 -11.456 -3.607 1.00 0.00 C ATOM 231 C THR A 354 52.710 -11.343 -5.119 1.00 0.00 C ATOM 232 O THR A 354 51.730 -11.306 -5.878 1.00 0.00 O ATOM 233 CB THR A 354 52.313 -10.076 -2.965 1.00 0.00 C ATOM 234 OG1 THR A 354 53.577 -9.427 -2.830 1.00 0.00 O ATOM 235 CG2 THR A 354 51.690 -10.205 -1.597 1.00 0.00 C ATOM 0 H THR A 354 54.407 -11.599 -2.737 1.00 0.00 H new ATOM 0 HA THR A 354 51.612 -12.049 -3.470 1.00 0.00 H new ATOM 0 HB THR A 354 51.649 -9.495 -3.605 1.00 0.00 H new ATOM 0 HG1 THR A 354 54.075 -9.831 -2.089 1.00 0.00 H new ATOM 0 HG21 THR A 354 51.556 -9.214 -1.163 1.00 0.00 H new ATOM 0 HG22 THR A 354 50.721 -10.697 -1.683 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.342 -10.797 -0.955 1.00 0.00 H new ATOM 243 N LYS A 355 53.955 -11.310 -5.544 1.00 0.00 N ATOM 244 CA LYS A 355 54.342 -11.191 -6.949 1.00 0.00 C ATOM 245 C LYS A 355 54.001 -9.886 -7.544 1.00 0.00 C ATOM 246 O LYS A 355 53.297 -9.752 -8.547 1.00 0.00 O ATOM 247 CB LYS A 355 54.054 -12.403 -7.814 1.00 0.00 C ATOM 248 CG LYS A 355 55.053 -13.534 -7.582 1.00 0.00 C ATOM 249 CD LYS A 355 56.461 -13.186 -8.092 1.00 0.00 C ATOM 250 CE LYS A 355 56.515 -13.035 -9.615 1.00 0.00 C ATOM 251 NZ LYS A 355 56.293 -14.321 -10.315 1.00 0.00 N ATOM 0 H LYS A 355 54.753 -11.366 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 355 55.432 -11.198 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 355 53.047 -12.763 -7.606 1.00 0.00 H new ATOM 0 HB3 LYS A 355 54.078 -12.111 -8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 355 55.101 -13.760 -6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 355 54.700 -14.435 -8.083 1.00 0.00 H new ATOM 0 HD2 LYS A 355 56.793 -12.258 -7.627 1.00 0.00 H new ATOM 0 HD3 LYS A 355 57.158 -13.965 -7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 355 55.761 -12.315 -9.934 1.00 0.00 H new ATOM 0 HE3 LYS A 355 57.485 -12.629 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 56.422 -14.186 -11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 56.975 -15.026 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 55.326 -14.655 -10.129 1.00 0.00 H new ATOM 265 N LYS A 356 54.478 -8.944 -6.858 1.00 0.00 N ATOM 266 CA LYS A 356 54.395 -7.564 -7.152 1.00 0.00 C ATOM 267 C LYS A 356 55.712 -6.994 -6.698 1.00 0.00 C ATOM 268 O LYS A 356 56.467 -7.711 -6.048 1.00 0.00 O ATOM 269 CB LYS A 356 53.268 -6.990 -6.321 1.00 0.00 C ATOM 270 CG LYS A 356 53.553 -7.019 -4.842 1.00 0.00 C ATOM 271 CD LYS A 356 52.497 -6.319 -4.069 1.00 0.00 C ATOM 272 CE LYS A 356 52.897 -6.202 -2.614 1.00 0.00 C ATOM 273 NZ LYS A 356 54.215 -5.547 -2.457 1.00 0.00 N ATOM 0 H LYS A 356 54.987 -9.122 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 356 54.207 -7.347 -8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.084 -5.961 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.355 -7.551 -6.520 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.626 -8.053 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 356 54.518 -6.551 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 356 52.329 -5.327 -4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.556 -6.863 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 356 52.141 -5.632 -2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 356 52.929 -7.195 -2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 54.168 -4.852 -1.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 54.935 -6.264 -2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 54.470 -5.064 -3.342 1.00 0.00 H new ATOM 287 N PRO A 357 56.039 -5.756 -7.015 1.00 0.00 N ATOM 288 CA PRO A 357 57.235 -5.150 -6.514 1.00 0.00 C ATOM 289 C PRO A 357 57.128 -4.787 -5.075 1.00 0.00 C ATOM 290 O PRO A 357 56.339 -5.372 -4.310 1.00 0.00 O ATOM 291 CB PRO A 357 57.444 -3.936 -7.346 1.00 0.00 C ATOM 292 CG PRO A 357 56.266 -3.752 -8.214 1.00 0.00 C ATOM 293 CD PRO A 357 55.282 -4.851 -7.877 1.00 0.00 C ATOM 0 HA PRO A 357 58.072 -5.845 -6.577 1.00 0.00 H new ATOM 0 HB2 PRO A 357 57.586 -3.062 -6.711 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.346 -4.041 -7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 357 55.818 -2.772 -8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 357 56.552 -3.801 -9.265 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.403 -4.456 -7.367 1.00 0.00 H new ATOM 0 HD3 PRO A 357 54.928 -5.358 -8.775 1.00 0.00 H new ATOM 301 N CYS A 358 57.932 -3.865 -4.648 1.00 0.00 N ATOM 302 CA CYS A 358 57.935 -3.624 -3.333 1.00 0.00 C ATOM 303 C CYS A 358 58.153 -2.214 -3.005 1.00 0.00 C ATOM 304 O CYS A 358 59.296 -1.752 -2.905 1.00 0.00 O ATOM 305 CB CYS A 358 58.942 -4.447 -2.705 1.00 0.00 C ATOM 306 SG CYS A 358 58.783 -4.441 -0.952 1.00 0.00 S ATOM 0 H CYS A 358 58.565 -3.303 -5.217 1.00 0.00 H new ATOM 0 HA CYS A 358 56.945 -3.874 -2.952 1.00 0.00 H new ATOM 0 HB2 CYS A 358 58.860 -5.469 -3.075 1.00 0.00 H new ATOM 0 HB3 CYS A 358 59.932 -4.086 -2.982 1.00 0.00 H new ATOM 311 N THR A 359 57.115 -1.533 -2.878 1.00 0.00 N ATOM 312 CA THR A 359 57.168 -0.188 -2.380 1.00 0.00 C ATOM 313 C THR A 359 56.761 -0.169 -0.900 1.00 0.00 C ATOM 314 O THR A 359 55.676 0.208 -0.506 1.00 0.00 O ATOM 315 CB THR A 359 56.376 0.825 -3.283 1.00 0.00 C ATOM 316 OG1 THR A 359 56.299 2.113 -2.735 1.00 0.00 O ATOM 317 CG2 THR A 359 55.006 0.375 -3.532 1.00 0.00 C ATOM 0 H THR A 359 56.179 -1.865 -3.109 1.00 0.00 H new ATOM 0 HA THR A 359 58.196 0.169 -2.434 1.00 0.00 H new ATOM 0 HB THR A 359 56.945 0.864 -4.212 1.00 0.00 H new ATOM 0 HG1 THR A 359 57.006 2.674 -3.118 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.492 1.103 -4.160 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.026 -0.590 -4.038 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.477 0.277 -2.584 1.00 0.00 H new ATOM 325 N ARG A 360 57.615 -0.779 -0.121 1.00 0.00 N ATOM 326 CA ARG A 360 57.496 -0.725 1.300 1.00 0.00 C ATOM 327 C ARG A 360 58.248 0.436 1.784 1.00 0.00 C ATOM 328 O ARG A 360 57.690 1.449 2.181 1.00 0.00 O ATOM 329 CB ARG A 360 57.998 -2.010 1.931 1.00 0.00 C ATOM 330 CG ARG A 360 57.025 -3.106 1.661 1.00 0.00 C ATOM 331 CD ARG A 360 56.835 -4.051 2.789 1.00 0.00 C ATOM 332 NE ARG A 360 55.782 -5.045 2.431 1.00 0.00 N ATOM 333 CZ ARG A 360 55.180 -5.904 3.280 1.00 0.00 C ATOM 334 NH1 ARG A 360 55.494 -5.897 4.546 1.00 0.00 N ATOM 335 NH2 ARG A 360 54.258 -6.754 2.840 1.00 0.00 N ATOM 0 H ARG A 360 58.408 -1.324 -0.459 1.00 0.00 H new ATOM 0 HA ARG A 360 56.448 -0.620 1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.976 -2.269 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 360 58.123 -1.876 3.005 1.00 0.00 H new ATOM 0 HG2 ARG A 360 56.061 -2.665 1.407 1.00 0.00 H new ATOM 0 HG3 ARG A 360 57.360 -3.665 0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 360 57.772 -4.562 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.547 -3.507 3.689 1.00 0.00 H new ATOM 0 HE ARG A 360 55.490 -5.079 1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 360 56.194 -5.242 4.894 1.00 0.00 H new ATOM 0 HH12 ARG A 360 55.039 -6.546 5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 360 54.000 -6.761 1.853 1.00 0.00 H new ATOM 0 HH22 ARG A 360 53.808 -7.400 3.489 1.00 0.00 H new ATOM 349 N SER A 361 59.522 0.320 1.662 1.00 0.00 N ATOM 350 CA SER A 361 60.402 1.325 2.037 1.00 0.00 C ATOM 351 C SER A 361 61.743 0.984 1.542 1.00 0.00 C ATOM 352 O SER A 361 61.974 -0.135 0.993 1.00 0.00 O ATOM 353 CB SER A 361 60.403 1.516 3.553 1.00 0.00 C ATOM 354 OG SER A 361 60.554 0.264 4.213 1.00 0.00 O ATOM 0 H SER A 361 59.978 -0.511 1.284 1.00 0.00 H new ATOM 0 HA SER A 361 60.085 2.271 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 361 61.214 2.185 3.841 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.472 1.989 3.866 1.00 0.00 H new ATOM 0 HG SER A 361 60.554 0.404 5.183 1.00 0.00 H new ATOM 360 N LEU A 362 62.623 1.892 1.780 1.00 0.00 N ATOM 361 CA LEU A 362 63.984 1.827 1.397 1.00 0.00 C ATOM 362 C LEU A 362 64.722 0.922 2.376 1.00 0.00 C ATOM 363 O LEU A 362 65.858 0.588 2.186 1.00 0.00 O ATOM 364 CB LEU A 362 64.578 3.251 1.440 1.00 0.00 C ATOM 365 CG LEU A 362 63.911 4.356 0.550 1.00 0.00 C ATOM 366 CD1 LEU A 362 62.543 4.805 1.053 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.815 5.562 0.356 1.00 0.00 C ATOM 0 H LEU A 362 62.394 2.752 2.278 1.00 0.00 H new ATOM 0 HA LEU A 362 64.083 1.425 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.549 3.593 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.628 3.183 1.156 1.00 0.00 H new ATOM 0 HG LEU A 362 63.756 3.875 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 362 62.144 5.570 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 362 61.865 3.952 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 362 62.641 5.214 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 362 64.309 6.300 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 362 65.046 6.003 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 362 65.739 5.249 -0.130 1.00 0.00 H new ATOM 379 N THR A 363 64.015 0.518 3.409 1.00 0.00 N ATOM 380 CA THR A 363 64.560 -0.309 4.457 1.00 0.00 C ATOM 381 C THR A 363 63.600 -1.475 4.707 1.00 0.00 C ATOM 382 O THR A 363 63.573 -2.040 5.798 1.00 0.00 O ATOM 383 CB THR A 363 64.749 0.534 5.749 1.00 0.00 C ATOM 384 OG1 THR A 363 65.360 -0.237 6.789 1.00 0.00 O ATOM 385 CG2 THR A 363 63.419 1.082 6.236 1.00 0.00 C ATOM 0 H THR A 363 63.033 0.759 3.544 1.00 0.00 H new ATOM 0 HA THR A 363 65.534 -0.700 4.162 1.00 0.00 H new ATOM 0 HB THR A 363 65.408 1.366 5.500 1.00 0.00 H new ATOM 0 HG1 THR A 363 64.957 -1.130 6.814 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.577 1.668 7.141 1.00 0.00 H new ATOM 0 HG22 THR A 363 62.982 1.716 5.464 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.742 0.255 6.452 1.00 0.00 H new ATOM 393 N CYS A 364 62.861 -1.832 3.631 1.00 0.00 N ATOM 394 CA CYS A 364 61.865 -2.922 3.597 1.00 0.00 C ATOM 395 C CYS A 364 62.152 -4.033 4.603 1.00 0.00 C ATOM 396 O CYS A 364 63.157 -4.728 4.498 1.00 0.00 O ATOM 397 CB CYS A 364 61.888 -3.524 2.251 1.00 0.00 C ATOM 398 SG CYS A 364 60.871 -4.971 2.114 1.00 0.00 S ATOM 0 H CYS A 364 62.946 -1.352 2.735 1.00 0.00 H new ATOM 0 HA CYS A 364 60.900 -2.484 3.850 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.555 -2.784 1.523 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.915 -3.784 1.994 1.00 0.00 H new ATOM 403 N LYS A 365 61.218 -4.235 5.482 1.00 0.00 N ATOM 404 CA LYS A 365 61.351 -5.060 6.641 1.00 0.00 C ATOM 405 C LYS A 365 60.956 -6.516 6.345 1.00 0.00 C ATOM 406 O LYS A 365 61.054 -7.392 7.194 1.00 0.00 O ATOM 407 CB LYS A 365 60.426 -4.398 7.636 1.00 0.00 C ATOM 408 CG LYS A 365 60.443 -4.867 9.050 1.00 0.00 C ATOM 409 CD LYS A 365 59.516 -3.978 9.885 1.00 0.00 C ATOM 410 CE LYS A 365 58.040 -4.091 9.460 1.00 0.00 C ATOM 411 NZ LYS A 365 57.478 -5.423 9.777 1.00 0.00 N ATOM 0 H LYS A 365 60.296 -3.806 5.405 1.00 0.00 H new ATOM 0 HA LYS A 365 62.375 -5.133 7.008 1.00 0.00 H new ATOM 0 HB2 LYS A 365 60.652 -3.332 7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 365 59.407 -4.507 7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 365 60.118 -5.906 9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 365 61.458 -4.829 9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 365 59.609 -4.250 10.936 1.00 0.00 H new ATOM 0 HD3 LYS A 365 59.837 -2.940 9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 365 57.456 -3.321 9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 365 57.955 -3.906 8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 56.466 -5.438 9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 57.975 -6.150 9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 57.598 -5.618 10.792 1.00 0.00 H new ATOM 425 N THR A 366 60.550 -6.756 5.137 1.00 0.00 N ATOM 426 CA THR A 366 60.118 -8.062 4.710 1.00 0.00 C ATOM 427 C THR A 366 61.310 -8.815 4.143 1.00 0.00 C ATOM 428 O THR A 366 61.647 -9.932 4.523 1.00 0.00 O ATOM 429 CB THR A 366 59.211 -7.862 3.523 1.00 0.00 C ATOM 430 OG1 THR A 366 58.249 -6.839 3.766 1.00 0.00 O ATOM 431 CG2 THR A 366 58.563 -9.144 3.032 1.00 0.00 C ATOM 0 H THR A 366 60.507 -6.046 4.406 1.00 0.00 H new ATOM 0 HA THR A 366 59.652 -8.587 5.544 1.00 0.00 H new ATOM 0 HB THR A 366 59.853 -7.529 2.708 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.806 -7.004 4.624 1.00 0.00 H new ATOM 0 HG21 THR A 366 57.924 -8.924 2.176 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.337 -9.852 2.735 1.00 0.00 H new ATOM 0 HG23 THR A 366 57.962 -9.577 3.832 1.00 0.00 H new ATOM 439 N HIS A 367 61.934 -8.126 3.239 1.00 0.00 N ATOM 440 CA HIS A 367 62.962 -8.632 2.400 1.00 0.00 C ATOM 441 C HIS A 367 64.267 -8.363 3.037 1.00 0.00 C ATOM 442 O HIS A 367 64.493 -7.252 3.473 1.00 0.00 O ATOM 443 CB HIS A 367 62.858 -7.937 1.004 1.00 0.00 C ATOM 444 CG HIS A 367 61.659 -8.362 0.143 1.00 0.00 C ATOM 445 ND1 HIS A 367 60.880 -7.441 -0.563 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.192 -9.614 -0.111 1.00 0.00 C ATOM 447 CE1 HIS A 367 59.970 -8.194 -1.218 1.00 0.00 C ATOM 448 NE2 HIS A 367 60.133 -9.496 -0.965 1.00 0.00 N ATOM 0 H HIS A 367 61.725 -7.144 3.061 1.00 0.00 H new ATOM 0 HA HIS A 367 62.860 -9.708 2.259 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.810 -6.859 1.157 1.00 0.00 H new ATOM 0 HB3 HIS A 367 63.773 -8.139 0.447 1.00 0.00 H new ATOM 0 HD2 HIS A 367 61.587 -10.535 0.290 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.205 -7.793 -1.866 1.00 0.00 H new ATOM 0 HE2 HIS A 367 59.571 -10.260 -1.340 1.00 0.00 H new ATOM 456 N SER A 368 65.103 -9.369 3.093 1.00 0.00 N ATOM 457 CA SER A 368 66.388 -9.254 3.696 1.00 0.00 C ATOM 458 C SER A 368 67.309 -8.372 2.946 1.00 0.00 C ATOM 459 O SER A 368 67.132 -8.151 1.741 1.00 0.00 O ATOM 460 CB SER A 368 66.991 -10.604 4.001 1.00 0.00 C ATOM 461 OG SER A 368 66.974 -11.462 2.893 1.00 0.00 O ATOM 0 H SER A 368 64.900 -10.295 2.715 1.00 0.00 H new ATOM 0 HA SER A 368 66.231 -8.756 4.653 1.00 0.00 H new ATOM 0 HB2 SER A 368 68.019 -10.471 4.338 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.443 -11.066 4.823 1.00 0.00 H new ATOM 0 HG SER A 368 67.375 -12.322 3.139 1.00 0.00 H new ATOM 467 N LEU A 369 68.290 -7.865 3.664 1.00 0.00 N ATOM 468 CA LEU A 369 69.271 -6.929 3.177 1.00 0.00 C ATOM 469 C LEU A 369 69.845 -7.339 1.843 1.00 0.00 C ATOM 470 O LEU A 369 69.891 -6.519 0.904 1.00 0.00 O ATOM 471 CB LEU A 369 70.351 -6.736 4.260 1.00 0.00 C ATOM 472 CG LEU A 369 71.570 -5.820 3.958 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.636 -6.548 3.148 1.00 0.00 C ATOM 474 CD2 LEU A 369 71.121 -4.590 3.191 1.00 0.00 C ATOM 0 H LEU A 369 68.427 -8.107 4.645 1.00 0.00 H new ATOM 0 HA LEU A 369 68.789 -5.970 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 369 69.858 -6.344 5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.737 -7.722 4.518 1.00 0.00 H new ATOM 0 HG LEU A 369 72.002 -5.529 4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.471 -5.874 2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 369 72.989 -7.415 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.211 -6.876 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 369 71.983 -3.955 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.662 -4.895 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.396 -4.035 3.786 1.00 0.00 H new ATOM 486 N THR A 370 70.194 -8.591 1.719 1.00 0.00 N ATOM 487 CA THR A 370 70.832 -9.058 0.508 1.00 0.00 C ATOM 488 C THR A 370 69.872 -8.957 -0.677 1.00 0.00 C ATOM 489 O THR A 370 70.267 -8.636 -1.793 1.00 0.00 O ATOM 490 CB THR A 370 71.324 -10.495 0.657 1.00 0.00 C ATOM 491 OG1 THR A 370 72.069 -10.603 1.888 1.00 0.00 O ATOM 492 CG2 THR A 370 72.233 -10.838 -0.508 1.00 0.00 C ATOM 0 H THR A 370 70.051 -9.305 2.433 1.00 0.00 H new ATOM 0 HA THR A 370 71.696 -8.419 0.323 1.00 0.00 H new ATOM 0 HB THR A 370 70.476 -11.180 0.670 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.390 -11.523 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.586 -11.864 -0.404 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.681 -10.737 -1.442 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.086 -10.160 -0.516 1.00 0.00 H new ATOM 500 N GLN A 371 68.600 -9.101 -0.385 1.00 0.00 N ATOM 501 CA GLN A 371 67.585 -9.145 -1.417 1.00 0.00 C ATOM 502 C GLN A 371 67.369 -7.761 -1.952 1.00 0.00 C ATOM 503 O GLN A 371 67.021 -7.582 -3.119 1.00 0.00 O ATOM 504 CB GLN A 371 66.273 -9.685 -0.877 1.00 0.00 C ATOM 505 CG GLN A 371 66.444 -10.876 0.029 1.00 0.00 C ATOM 506 CD GLN A 371 65.160 -11.617 0.301 1.00 0.00 C ATOM 507 OE1 GLN A 371 65.143 -12.822 0.484 1.00 0.00 O ATOM 508 NE2 GLN A 371 64.090 -10.899 0.375 1.00 0.00 N ATOM 0 H GLN A 371 68.240 -9.190 0.565 1.00 0.00 H new ATOM 0 HA GLN A 371 67.927 -9.811 -2.209 1.00 0.00 H new ATOM 0 HB2 GLN A 371 65.760 -8.893 -0.331 1.00 0.00 H new ATOM 0 HB3 GLN A 371 65.631 -9.963 -1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.162 -11.563 -0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 371 66.869 -10.543 0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 371 64.139 -9.893 0.216 1.00 0.00 H new ATOM 0 HE22 GLN A 371 63.195 -11.338 0.592 1.00 0.00 H new ATOM 517 N ARG A 372 67.571 -6.767 -1.090 1.00 0.00 N ATOM 518 CA ARG A 372 67.444 -5.399 -1.527 1.00 0.00 C ATOM 519 C ARG A 372 68.627 -5.008 -2.375 1.00 0.00 C ATOM 520 O ARG A 372 68.450 -4.388 -3.412 1.00 0.00 O ATOM 521 CB ARG A 372 67.316 -4.365 -0.417 1.00 0.00 C ATOM 522 CG ARG A 372 66.094 -4.429 0.467 1.00 0.00 C ATOM 523 CD ARG A 372 66.297 -5.392 1.576 1.00 0.00 C ATOM 524 NE ARG A 372 65.751 -4.920 2.821 1.00 0.00 N ATOM 525 CZ ARG A 372 66.423 -4.274 3.794 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.667 -3.872 3.604 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.830 -4.035 4.953 1.00 0.00 N ATOM 0 H ARG A 372 67.818 -6.889 -0.108 1.00 0.00 H new ATOM 0 HA ARG A 372 66.507 -5.387 -2.084 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.196 -4.448 0.221 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.347 -3.376 -0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 372 65.881 -3.440 0.873 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.227 -4.725 -0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.833 -6.343 1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.364 -5.581 1.699 1.00 0.00 H new ATOM 0 HE ARG A 372 64.759 -5.091 2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 372 68.130 -4.050 2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 372 68.165 -3.384 4.349 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.869 -4.340 5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.334 -3.546 5.693 1.00 0.00 H new ATOM 541 N ARG A 373 69.849 -5.378 -1.925 1.00 0.00 N ATOM 542 CA ARG A 373 71.070 -5.023 -2.663 1.00 0.00 C ATOM 543 C ARG A 373 71.083 -5.683 -4.032 1.00 0.00 C ATOM 544 O ARG A 373 71.576 -5.118 -5.002 1.00 0.00 O ATOM 545 CB ARG A 373 72.330 -5.419 -1.890 1.00 0.00 C ATOM 546 CG ARG A 373 72.506 -4.705 -0.580 1.00 0.00 C ATOM 547 CD ARG A 373 73.838 -5.014 0.057 1.00 0.00 C ATOM 548 NE ARG A 373 74.919 -4.204 -0.519 1.00 0.00 N ATOM 549 CZ ARG A 373 76.052 -4.647 -1.076 1.00 0.00 C ATOM 550 NH1 ARG A 373 76.281 -5.947 -1.220 1.00 0.00 N ATOM 551 NH2 ARG A 373 76.950 -3.763 -1.491 1.00 0.00 N ATOM 0 H ARG A 373 70.008 -5.912 -1.071 1.00 0.00 H new ATOM 0 HA ARG A 373 71.068 -3.940 -2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.305 -6.493 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.201 -5.224 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.421 -3.630 -0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.704 -4.992 0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.779 -4.831 1.130 1.00 0.00 H new ATOM 0 HD3 ARG A 373 74.067 -6.072 -0.074 1.00 0.00 H new ATOM 0 HE ARG A 373 74.792 -3.192 -0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.588 -6.625 -0.904 1.00 0.00 H new ATOM 0 HH12 ARG A 373 77.150 -6.268 -1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 373 76.771 -2.765 -1.383 1.00 0.00 H new ATOM 0 HH22 ARG A 373 77.820 -4.082 -1.918 1.00 0.00 H new ATOM 565 N ALA A 374 70.518 -6.877 -4.088 1.00 0.00 N ATOM 566 CA ALA A 374 70.437 -7.664 -5.315 1.00 0.00 C ATOM 567 C ALA A 374 69.631 -6.978 -6.440 1.00 0.00 C ATOM 568 O ALA A 374 69.920 -7.183 -7.619 1.00 0.00 O ATOM 569 CB ALA A 374 69.872 -9.043 -5.022 1.00 0.00 C ATOM 0 H ALA A 374 70.098 -7.335 -3.279 1.00 0.00 H new ATOM 0 HA ALA A 374 71.458 -7.756 -5.686 1.00 0.00 H new ATOM 0 HB1 ALA A 374 69.818 -9.618 -5.946 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.519 -9.558 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 374 68.873 -8.944 -4.597 1.00 0.00 H new ATOM 575 N VAL A 375 68.647 -6.171 -6.095 1.00 0.00 N ATOM 576 CA VAL A 375 67.822 -5.522 -7.115 1.00 0.00 C ATOM 577 C VAL A 375 68.311 -4.106 -7.385 1.00 0.00 C ATOM 578 O VAL A 375 68.595 -3.322 -6.492 1.00 0.00 O ATOM 579 CB VAL A 375 66.281 -5.553 -6.781 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.977 -4.774 -5.524 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.449 -5.022 -7.947 1.00 0.00 C ATOM 0 H VAL A 375 68.395 -5.946 -5.132 1.00 0.00 H new ATOM 0 HA VAL A 375 67.937 -6.106 -8.028 1.00 0.00 H new ATOM 0 HB VAL A 375 66.008 -6.595 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.907 -4.814 -5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.522 -5.208 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.282 -3.736 -5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.392 -5.057 -7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.737 -3.992 -8.160 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.624 -5.638 -8.829 1.00 0.00 H new ATOM 591 N GLN A 376 68.351 -3.826 -8.628 1.00 0.00 N ATOM 592 CA GLN A 376 68.850 -2.630 -9.219 1.00 0.00 C ATOM 593 C GLN A 376 67.707 -1.657 -9.556 1.00 0.00 C ATOM 594 O GLN A 376 67.762 -0.911 -10.539 1.00 0.00 O ATOM 595 CB GLN A 376 69.621 -3.030 -10.468 1.00 0.00 C ATOM 596 CG GLN A 376 68.922 -4.026 -11.382 1.00 0.00 C ATOM 597 CD GLN A 376 68.908 -5.494 -10.914 1.00 0.00 C ATOM 598 OE1 GLN A 376 67.965 -6.222 -11.173 1.00 0.00 O ATOM 599 NE2 GLN A 376 69.961 -5.934 -10.288 1.00 0.00 N ATOM 0 H GLN A 376 68.006 -4.482 -9.329 1.00 0.00 H new ATOM 0 HA GLN A 376 69.504 -2.106 -8.522 1.00 0.00 H new ATOM 0 HB2 GLN A 376 69.840 -2.130 -11.042 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.578 -3.454 -10.162 1.00 0.00 H new ATOM 0 HG2 GLN A 376 67.890 -3.701 -11.516 1.00 0.00 H new ATOM 0 HG3 GLN A 376 69.399 -3.984 -12.361 1.00 0.00 H new ATOM 0 HE21 GLN A 376 70.735 -5.301 -10.085 1.00 0.00 H new ATOM 0 HE22 GLN A 376 70.012 -6.911 -10.001 1.00 0.00 H new ATOM 608 N GLY A 377 66.706 -1.651 -8.694 1.00 0.00 N ATOM 609 CA GLY A 377 65.490 -0.867 -8.898 1.00 0.00 C ATOM 610 C GLY A 377 65.644 0.634 -8.729 1.00 0.00 C ATOM 611 O GLY A 377 65.105 1.406 -9.532 1.00 0.00 O ATOM 0 H GLY A 377 66.709 -2.190 -7.828 1.00 0.00 H new ATOM 0 HA2 GLY A 377 65.115 -1.065 -9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.731 -1.218 -8.199 1.00 0.00 H new ATOM 615 N ARG A 378 66.399 1.042 -7.732 1.00 0.00 N ATOM 616 CA ARG A 378 66.487 2.438 -7.311 1.00 0.00 C ATOM 617 C ARG A 378 67.243 3.301 -8.290 1.00 0.00 C ATOM 618 O ARG A 378 67.717 2.833 -9.330 1.00 0.00 O ATOM 619 CB ARG A 378 67.174 2.501 -5.972 1.00 0.00 C ATOM 620 CG ARG A 378 66.497 1.682 -4.908 1.00 0.00 C ATOM 621 CD ARG A 378 67.516 1.126 -3.988 1.00 0.00 C ATOM 622 NE ARG A 378 66.926 0.065 -3.259 1.00 0.00 N ATOM 623 CZ ARG A 378 66.877 -1.157 -3.749 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.298 -1.370 -4.988 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.406 -2.151 -3.029 1.00 0.00 N ATOM 0 H ARG A 378 66.979 0.411 -7.179 1.00 0.00 H new ATOM 0 HA ARG A 378 65.470 2.825 -7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.202 2.157 -6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.219 3.540 -5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 378 65.790 2.299 -4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 378 65.925 0.874 -5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.379 0.767 -4.549 1.00 0.00 H new ATOM 0 HD3 ARG A 378 67.876 1.899 -3.309 1.00 0.00 H new ATOM 0 HE ARG A 378 66.531 0.250 -2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.653 -0.594 -5.547 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.267 -2.310 -5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 378 66.073 -1.980 -2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.373 -3.093 -3.419 1.00 0.00 H new ATOM 639 N ARG A 379 67.324 4.582 -7.965 1.00 0.00 N ATOM 640 CA ARG A 379 68.129 5.535 -8.725 1.00 0.00 C ATOM 641 C ARG A 379 69.572 5.093 -8.662 1.00 0.00 C ATOM 642 O ARG A 379 70.301 5.079 -9.644 1.00 0.00 O ATOM 643 CB ARG A 379 68.137 6.904 -8.032 1.00 0.00 C ATOM 644 CG ARG A 379 66.835 7.582 -7.766 1.00 0.00 C ATOM 645 CD ARG A 379 66.108 7.945 -9.036 1.00 0.00 C ATOM 646 NE ARG A 379 66.864 8.855 -9.897 1.00 0.00 N ATOM 647 CZ ARG A 379 66.991 8.715 -11.231 1.00 0.00 C ATOM 648 NH1 ARG A 379 66.435 7.667 -11.861 1.00 0.00 N ATOM 649 NH2 ARG A 379 67.660 9.622 -11.931 1.00 0.00 N ATOM 0 H ARG A 379 66.836 4.993 -7.169 1.00 0.00 H new ATOM 0 HA ARG A 379 67.721 5.588 -9.734 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.650 6.788 -7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 379 68.742 7.578 -8.639 1.00 0.00 H new ATOM 0 HG2 ARG A 379 66.204 6.929 -7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 379 67.011 8.484 -7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 379 65.883 7.034 -9.591 1.00 0.00 H new ATOM 0 HD3 ARG A 379 65.154 8.406 -8.781 1.00 0.00 H new ATOM 0 HE ARG A 379 67.327 9.650 -9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 379 65.913 6.971 -11.329 1.00 0.00 H new ATOM 0 HH12 ARG A 379 66.535 7.567 -12.871 1.00 0.00 H new ATOM 0 HH21 ARG A 379 68.078 10.424 -11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 379 67.757 9.517 -12.941 1.00 0.00 H new ATOM 663 N LYS A 380 69.941 4.728 -7.464 1.00 0.00 N ATOM 664 CA LYS A 380 71.288 4.510 -7.066 1.00 0.00 C ATOM 665 C LYS A 380 71.414 3.089 -6.534 1.00 0.00 C ATOM 666 O LYS A 380 70.438 2.315 -6.598 1.00 0.00 O ATOM 667 CB LYS A 380 71.532 5.464 -5.917 1.00 0.00 C ATOM 668 CG LYS A 380 71.122 6.893 -6.173 1.00 0.00 C ATOM 669 CD LYS A 380 70.442 7.469 -4.939 1.00 0.00 C ATOM 670 CE LYS A 380 69.860 8.845 -5.197 1.00 0.00 C ATOM 671 NZ LYS A 380 70.890 9.835 -5.570 1.00 0.00 N ATOM 0 H LYS A 380 69.272 4.570 -6.710 1.00 0.00 H new ATOM 0 HA LYS A 380 71.987 4.658 -7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 380 70.994 5.099 -5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.593 5.446 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.997 7.491 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 380 70.445 6.938 -7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 380 69.649 6.795 -4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 380 71.162 7.528 -4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 380 69.119 8.779 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 380 69.338 9.188 -4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 70.451 10.772 -5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 71.620 9.871 -4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 71.325 9.559 -6.473 1.00 0.00 H new ATOM 685 N ARG A 381 72.608 2.735 -6.039 1.00 0.00 N ATOM 686 CA ARG A 381 72.823 1.465 -5.325 1.00 0.00 C ATOM 687 C ARG A 381 71.873 1.425 -4.143 1.00 0.00 C ATOM 688 O ARG A 381 71.365 2.456 -3.708 1.00 0.00 O ATOM 689 CB ARG A 381 74.263 1.359 -4.765 1.00 0.00 C ATOM 690 CG ARG A 381 75.389 1.582 -5.756 1.00 0.00 C ATOM 691 CD ARG A 381 75.211 0.737 -6.980 1.00 0.00 C ATOM 692 NE ARG A 381 76.320 0.879 -7.937 1.00 0.00 N ATOM 693 CZ ARG A 381 76.593 0.024 -8.936 1.00 0.00 C ATOM 694 NH1 ARG A 381 75.828 -1.049 -9.127 1.00 0.00 N ATOM 695 NH2 ARG A 381 77.627 0.244 -9.734 1.00 0.00 N ATOM 0 H ARG A 381 73.445 3.313 -6.120 1.00 0.00 H new ATOM 0 HA ARG A 381 72.655 0.646 -6.025 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.370 2.083 -3.958 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.386 0.370 -4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.424 2.634 -6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 381 76.343 1.347 -5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 381 75.124 -0.309 -6.685 1.00 0.00 H new ATOM 0 HD3 ARG A 381 74.276 1.009 -7.471 1.00 0.00 H new ATOM 0 HE ARG A 381 76.929 1.691 -7.833 1.00 0.00 H new ATOM 0 HH11 ARG A 381 75.032 -1.223 -8.514 1.00 0.00 H new ATOM 0 HH12 ARG A 381 76.038 -1.696 -9.887 1.00 0.00 H new ATOM 0 HH21 ARG A 381 78.217 1.064 -9.590 1.00 0.00 H new ATOM 0 HH22 ARG A 381 77.833 -0.406 -10.492 1.00 0.00 H new ATOM 709 N PHE A 382 71.673 0.291 -3.594 1.00 0.00 N ATOM 710 CA PHE A 382 70.753 0.172 -2.504 1.00 0.00 C ATOM 711 C PHE A 382 71.285 0.804 -1.222 1.00 0.00 C ATOM 712 O PHE A 382 70.563 1.479 -0.524 1.00 0.00 O ATOM 713 CB PHE A 382 70.350 -1.272 -2.272 1.00 0.00 C ATOM 714 CG PHE A 382 69.648 -1.460 -0.961 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.419 -0.900 -0.753 1.00 0.00 C ATOM 716 CD2 PHE A 382 70.243 -2.130 0.074 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.785 -1.006 0.437 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.621 -2.230 1.276 1.00 0.00 C ATOM 719 CZ PHE A 382 68.384 -1.664 1.454 1.00 0.00 C ATOM 0 H PHE A 382 72.129 -0.578 -3.873 1.00 0.00 H new ATOM 0 HA PHE A 382 69.861 0.730 -2.789 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.698 -1.600 -3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.237 -1.904 -2.301 1.00 0.00 H new ATOM 0 HD1 PHE A 382 67.943 -0.360 -1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 382 71.214 -2.582 -0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.807 -0.568 0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 382 70.099 -2.754 2.091 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.888 -1.745 2.410 1.00 0.00 H new ATOM 729 N ASP A 383 72.529 0.608 -0.961 1.00 0.00 N ATOM 730 CA ASP A 383 73.155 1.060 0.281 1.00 0.00 C ATOM 731 C ASP A 383 73.186 2.570 0.345 1.00 0.00 C ATOM 732 O ASP A 383 72.943 3.175 1.384 1.00 0.00 O ATOM 733 CB ASP A 383 74.580 0.562 0.376 1.00 0.00 C ATOM 734 CG ASP A 383 74.735 -0.943 0.367 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.249 -1.620 1.293 1.00 0.00 O ATOM 736 OD2 ASP A 383 75.390 -1.480 -0.568 1.00 0.00 O ATOM 0 H ASP A 383 73.167 0.127 -1.595 1.00 0.00 H new ATOM 0 HA ASP A 383 72.563 0.661 1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.149 0.975 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 383 75.025 0.952 1.291 1.00 0.00 H new ATOM 741 N VAL A 384 73.465 3.164 -0.784 1.00 0.00 N ATOM 742 CA VAL A 384 73.564 4.603 -0.923 1.00 0.00 C ATOM 743 C VAL A 384 72.174 5.216 -0.837 1.00 0.00 C ATOM 744 O VAL A 384 71.980 6.321 -0.330 1.00 0.00 O ATOM 745 CB VAL A 384 74.247 4.923 -2.264 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.391 4.661 -3.441 1.00 0.00 C ATOM 747 CG2 VAL A 384 74.907 6.268 -2.334 1.00 0.00 C ATOM 0 H VAL A 384 73.634 2.657 -1.653 1.00 0.00 H new ATOM 0 HA VAL A 384 74.165 5.030 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 384 75.066 4.204 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 384 73.938 4.909 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 384 73.112 3.607 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.491 5.273 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.360 6.400 -3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.163 7.047 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.679 6.335 -1.567 1.00 0.00 H new ATOM 757 N LEU A 385 71.226 4.466 -1.328 1.00 0.00 N ATOM 758 CA LEU A 385 69.862 4.792 -1.291 1.00 0.00 C ATOM 759 C LEU A 385 69.364 4.699 0.140 1.00 0.00 C ATOM 760 O LEU A 385 68.622 5.561 0.616 1.00 0.00 O ATOM 761 CB LEU A 385 69.129 3.813 -2.212 1.00 0.00 C ATOM 762 CG LEU A 385 67.656 4.003 -2.435 1.00 0.00 C ATOM 763 CD1 LEU A 385 66.922 3.322 -1.311 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.344 5.486 -2.494 1.00 0.00 C ATOM 0 H LEU A 385 71.413 3.572 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 385 69.681 5.811 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.618 3.845 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.277 2.809 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 385 67.339 3.563 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 385 65.848 3.446 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.167 2.260 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.218 3.766 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.275 5.627 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.634 5.956 -1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 385 67.898 5.942 -3.314 1.00 0.00 H new ATOM 776 N LEU A 386 69.758 3.648 0.814 1.00 0.00 N ATOM 777 CA LEU A 386 69.376 3.463 2.185 1.00 0.00 C ATOM 778 C LEU A 386 69.967 4.576 3.014 1.00 0.00 C ATOM 779 O LEU A 386 69.372 5.002 3.974 1.00 0.00 O ATOM 780 CB LEU A 386 69.864 2.149 2.713 1.00 0.00 C ATOM 781 CG LEU A 386 68.849 1.235 3.425 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.570 0.086 4.087 1.00 0.00 C ATOM 783 CD2 LEU A 386 67.992 1.978 4.441 1.00 0.00 C ATOM 0 H LEU A 386 70.345 2.907 0.431 1.00 0.00 H new ATOM 0 HA LEU A 386 68.288 3.475 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.289 1.591 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.678 2.350 3.409 1.00 0.00 H new ATOM 0 HG LEU A 386 68.169 0.856 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.847 -0.557 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.106 -0.490 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.279 0.474 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.297 1.281 4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.633 2.419 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.432 2.766 3.938 1.00 0.00 H new ATOM 795 N ALA A 387 71.134 5.049 2.616 1.00 0.00 N ATOM 796 CA ALA A 387 71.768 6.181 3.271 1.00 0.00 C ATOM 797 C ALA A 387 70.859 7.414 3.182 1.00 0.00 C ATOM 798 O ALA A 387 70.703 8.156 4.148 1.00 0.00 O ATOM 799 CB ALA A 387 73.115 6.456 2.648 1.00 0.00 C ATOM 0 H ALA A 387 71.666 4.664 1.836 1.00 0.00 H new ATOM 0 HA ALA A 387 71.924 5.945 4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.580 7.306 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.752 5.578 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 387 72.987 6.682 1.589 1.00 0.00 H new ATOM 805 N GLU A 388 70.221 7.590 2.035 1.00 0.00 N ATOM 806 CA GLU A 388 69.270 8.662 1.821 1.00 0.00 C ATOM 807 C GLU A 388 68.036 8.426 2.674 1.00 0.00 C ATOM 808 O GLU A 388 67.419 9.370 3.188 1.00 0.00 O ATOM 809 CB GLU A 388 68.892 8.694 0.374 1.00 0.00 C ATOM 810 CG GLU A 388 70.049 9.012 -0.527 1.00 0.00 C ATOM 811 CD GLU A 388 70.619 10.392 -0.325 1.00 0.00 C ATOM 812 OE1 GLU A 388 71.459 10.592 0.578 1.00 0.00 O ATOM 813 OE2 GLU A 388 70.238 11.308 -1.073 1.00 0.00 O ATOM 0 H GLU A 388 70.352 6.987 1.223 1.00 0.00 H new ATOM 0 HA GLU A 388 69.716 9.616 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 388 68.474 7.728 0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 388 68.108 9.436 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.837 8.277 -0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 388 69.728 8.910 -1.564 1.00 0.00 H new ATOM 820 N HIS A 389 67.675 7.149 2.825 1.00 0.00 N ATOM 821 CA HIS A 389 66.603 6.748 3.715 1.00 0.00 C ATOM 822 C HIS A 389 66.935 7.100 5.101 1.00 0.00 C ATOM 823 O HIS A 389 66.146 7.667 5.743 1.00 0.00 O ATOM 824 CB HIS A 389 66.270 5.269 3.635 1.00 0.00 C ATOM 825 CG HIS A 389 65.230 4.851 4.610 1.00 0.00 C ATOM 826 ND1 HIS A 389 63.975 5.367 4.661 1.00 0.00 N ATOM 827 CD2 HIS A 389 65.359 4.082 5.672 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.390 4.938 5.740 1.00 0.00 C ATOM 829 NE2 HIS A 389 64.212 4.140 6.372 1.00 0.00 N ATOM 0 H HIS A 389 68.120 6.374 2.333 1.00 0.00 H new ATOM 0 HA HIS A 389 65.717 7.291 3.386 1.00 0.00 H new ATOM 0 HB2 HIS A 389 65.929 5.034 2.627 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.176 4.689 3.809 1.00 0.00 H new ATOM 0 HD1 HIS A 389 63.560 5.989 3.967 1.00 0.00 H new ATOM 0 HD2 HIS A 389 66.234 3.505 5.935 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.392 5.197 6.061 1.00 0.00 H new ATOM 838 N LYS A 390 68.081 6.725 5.563 1.00 0.00 N ATOM 839 CA LYS A 390 68.483 7.030 6.903 1.00 0.00 C ATOM 840 C LYS A 390 68.623 8.496 7.132 1.00 0.00 C ATOM 841 O LYS A 390 68.401 8.972 8.190 1.00 0.00 O ATOM 842 CB LYS A 390 69.696 6.251 7.278 1.00 0.00 C ATOM 843 CG LYS A 390 69.506 4.778 6.951 1.00 0.00 C ATOM 844 CD LYS A 390 68.257 4.194 7.607 1.00 0.00 C ATOM 845 CE LYS A 390 68.531 3.802 9.034 1.00 0.00 C ATOM 846 NZ LYS A 390 69.577 2.763 9.155 1.00 0.00 N ATOM 0 H LYS A 390 68.769 6.198 5.025 1.00 0.00 H new ATOM 0 HA LYS A 390 67.686 6.715 7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.564 6.639 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.897 6.370 8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.437 4.654 5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.382 4.219 7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.449 4.925 7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 390 67.920 3.323 7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.836 4.685 9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.610 3.438 9.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.423 2.215 10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.532 2.128 8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.513 3.215 9.192 1.00 0.00 H new ATOM 860 N ASN A 391 68.922 9.213 6.147 1.00 0.00 N ATOM 861 CA ASN A 391 68.969 10.634 6.334 1.00 0.00 C ATOM 862 C ASN A 391 67.551 11.223 6.571 1.00 0.00 C ATOM 863 O ASN A 391 67.395 12.319 7.121 1.00 0.00 O ATOM 864 CB ASN A 391 69.712 11.325 5.202 1.00 0.00 C ATOM 865 CG ASN A 391 71.199 11.418 5.422 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.685 12.355 6.041 1.00 0.00 O ATOM 867 ND2 ASN A 391 71.933 10.474 4.915 1.00 0.00 N ATOM 0 H ASN A 391 69.139 8.877 5.209 1.00 0.00 H new ATOM 0 HA ASN A 391 69.542 10.831 7.240 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.524 10.786 4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.309 12.330 5.075 1.00 0.00 H new ATOM 0 HD21 ASN A 391 72.946 10.500 5.027 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.496 9.707 4.404 1.00 0.00 H new ATOM 874 N LYS A 392 66.551 10.509 6.108 1.00 0.00 N ATOM 875 CA LYS A 392 65.173 10.826 6.371 1.00 0.00 C ATOM 876 C LYS A 392 64.682 10.077 7.624 1.00 0.00 C ATOM 877 O LYS A 392 64.333 10.672 8.642 1.00 0.00 O ATOM 878 CB LYS A 392 64.324 10.412 5.190 1.00 0.00 C ATOM 879 CG LYS A 392 62.839 10.621 5.425 1.00 0.00 C ATOM 880 CD LYS A 392 62.436 12.071 5.427 1.00 0.00 C ATOM 881 CE LYS A 392 62.623 12.719 4.063 1.00 0.00 C ATOM 882 NZ LYS A 392 62.275 14.146 4.086 1.00 0.00 N ATOM 0 H LYS A 392 66.678 9.679 5.529 1.00 0.00 H new ATOM 0 HA LYS A 392 65.088 11.900 6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.631 10.980 4.312 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.507 9.360 4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.278 10.096 4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.562 10.173 6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 392 61.392 12.156 5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 392 63.027 12.610 6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 392 63.659 12.602 3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 392 62.003 12.205 3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 62.415 14.553 3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 61.280 14.256 4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 62.884 14.641 4.769 1.00 0.00 H new ATOM 896 N THR A 393 64.683 8.764 7.505 1.00 0.00 N ATOM 897 CA THR A 393 64.192 7.843 8.471 1.00 0.00 C ATOM 898 C THR A 393 65.298 6.842 8.896 1.00 0.00 C ATOM 899 O THR A 393 65.328 5.663 8.516 1.00 0.00 O ATOM 900 CB THR A 393 63.050 7.063 7.893 1.00 0.00 C ATOM 901 OG1 THR A 393 62.063 7.962 7.372 1.00 0.00 O ATOM 902 CG2 THR A 393 62.421 6.126 8.924 1.00 0.00 C ATOM 0 H THR A 393 65.052 8.299 6.676 1.00 0.00 H new ATOM 0 HA THR A 393 63.866 8.413 9.341 1.00 0.00 H new ATOM 0 HB THR A 393 63.442 6.444 7.086 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.319 7.448 6.994 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.597 5.580 8.464 1.00 0.00 H new ATOM 0 HG22 THR A 393 63.171 5.420 9.279 1.00 0.00 H new ATOM 0 HG23 THR A 393 62.045 6.710 9.764 1.00 0.00 H new ATOM 910 N ARG A 394 66.237 7.391 9.496 1.00 0.00 N ATOM 911 CA ARG A 394 67.376 6.750 10.192 1.00 0.00 C ATOM 912 C ARG A 394 66.985 5.765 11.330 1.00 0.00 C ATOM 913 O ARG A 394 67.818 5.409 12.158 1.00 0.00 O ATOM 914 CB ARG A 394 68.372 7.811 10.698 1.00 0.00 C ATOM 915 CG ARG A 394 67.871 8.758 11.746 1.00 0.00 C ATOM 916 CD ARG A 394 69.026 9.465 12.414 1.00 0.00 C ATOM 917 NE ARG A 394 69.945 8.508 13.052 1.00 0.00 N ATOM 918 CZ ARG A 394 71.254 8.701 13.234 1.00 0.00 C ATOM 919 NH1 ARG A 394 71.817 9.855 12.869 1.00 0.00 N ATOM 920 NH2 ARG A 394 71.993 7.745 13.790 1.00 0.00 N ATOM 0 H ARG A 394 66.292 8.408 9.555 1.00 0.00 H new ATOM 0 HA ARG A 394 67.854 6.126 9.437 1.00 0.00 H new ATOM 0 HB2 ARG A 394 69.246 7.295 11.095 1.00 0.00 H new ATOM 0 HB3 ARG A 394 68.709 8.397 9.843 1.00 0.00 H new ATOM 0 HG2 ARG A 394 67.201 9.490 11.294 1.00 0.00 H new ATOM 0 HG3 ARG A 394 67.291 8.213 12.490 1.00 0.00 H new ATOM 0 HD2 ARG A 394 69.569 10.056 11.676 1.00 0.00 H new ATOM 0 HD3 ARG A 394 68.645 10.160 13.162 1.00 0.00 H new ATOM 0 HE ARG A 394 69.550 7.627 13.381 1.00 0.00 H new ATOM 0 HH11 ARG A 394 71.247 10.590 12.451 1.00 0.00 H new ATOM 0 HH12 ARG A 394 72.817 10.001 13.008 1.00 0.00 H new ATOM 0 HH21 ARG A 394 71.560 6.867 14.076 1.00 0.00 H new ATOM 0 HH22 ARG A 394 72.993 7.890 13.930 1.00 0.00 H new ATOM 934 N GLU A 395 65.763 5.315 11.335 1.00 0.00 N ATOM 935 CA GLU A 395 65.271 4.418 12.313 1.00 0.00 C ATOM 936 C GLU A 395 65.164 3.036 11.697 1.00 0.00 C ATOM 937 O GLU A 395 64.659 2.882 10.575 1.00 0.00 O ATOM 938 CB GLU A 395 63.903 4.877 12.772 1.00 0.00 C ATOM 939 CG GLU A 395 63.893 6.263 13.375 1.00 0.00 C ATOM 940 CD GLU A 395 62.515 6.705 13.741 1.00 0.00 C ATOM 941 OE1 GLU A 395 62.036 6.350 14.837 1.00 0.00 O ATOM 942 OE2 GLU A 395 61.875 7.413 12.934 1.00 0.00 O ATOM 0 H GLU A 395 65.070 5.576 10.634 1.00 0.00 H new ATOM 0 HA GLU A 395 65.946 4.390 13.168 1.00 0.00 H new ATOM 0 HB2 GLU A 395 63.220 4.856 11.923 1.00 0.00 H new ATOM 0 HB3 GLU A 395 63.521 4.169 13.507 1.00 0.00 H new ATOM 0 HG2 GLU A 395 64.526 6.276 14.263 1.00 0.00 H new ATOM 0 HG3 GLU A 395 64.324 6.970 12.666 1.00 0.00 H new ATOM 949 N LYS A 396 65.683 2.076 12.393 1.00 0.00 N ATOM 950 CA LYS A 396 65.624 0.685 12.000 1.00 0.00 C ATOM 951 C LYS A 396 65.292 -0.153 13.223 1.00 0.00 C ATOM 952 O LYS A 396 65.752 0.161 14.338 1.00 0.00 O ATOM 953 CB LYS A 396 66.966 0.233 11.424 1.00 0.00 C ATOM 954 CG LYS A 396 66.935 -1.165 10.834 1.00 0.00 C ATOM 955 CD LYS A 396 68.205 -1.466 10.094 1.00 0.00 C ATOM 956 CE LYS A 396 68.122 -2.796 9.343 1.00 0.00 C ATOM 957 NZ LYS A 396 68.031 -3.968 10.243 1.00 0.00 N ATOM 0 H LYS A 396 66.174 2.230 13.274 1.00 0.00 H new ATOM 0 HA LYS A 396 64.858 0.560 11.234 1.00 0.00 H new ATOM 0 HB2 LYS A 396 67.276 0.937 10.652 1.00 0.00 H new ATOM 0 HB3 LYS A 396 67.720 0.270 12.210 1.00 0.00 H new ATOM 0 HG2 LYS A 396 66.792 -1.896 11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 396 66.085 -1.259 10.158 1.00 0.00 H new ATOM 0 HD2 LYS A 396 68.414 -0.662 9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 396 69.037 -1.497 10.797 1.00 0.00 H new ATOM 0 HE2 LYS A 396 67.252 -2.782 8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 396 69.000 -2.902 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 67.978 -4.838 9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 68.873 -4.004 10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 67.179 -3.887 10.833 1.00 0.00 H new ATOM 971 N GLU A 397 64.516 -1.203 13.044 1.00 0.00 N ATOM 972 CA GLU A 397 64.169 -2.050 14.149 1.00 0.00 C ATOM 973 C GLU A 397 65.078 -3.258 14.209 1.00 0.00 C ATOM 974 O GLU A 397 65.025 -4.165 13.364 1.00 0.00 O ATOM 975 CB GLU A 397 62.686 -2.421 14.183 1.00 0.00 C ATOM 976 CG GLU A 397 62.150 -3.072 12.963 1.00 0.00 C ATOM 977 CD GLU A 397 60.694 -3.412 13.124 1.00 0.00 C ATOM 978 OE1 GLU A 397 59.853 -2.506 12.999 1.00 0.00 O ATOM 979 OE2 GLU A 397 60.362 -4.582 13.429 1.00 0.00 O ATOM 0 H GLU A 397 64.120 -1.483 12.147 1.00 0.00 H new ATOM 0 HA GLU A 397 64.332 -1.471 15.058 1.00 0.00 H new ATOM 0 HB2 GLU A 397 62.518 -3.087 15.030 1.00 0.00 H new ATOM 0 HB3 GLU A 397 62.110 -1.515 14.370 1.00 0.00 H new ATOM 0 HG2 GLU A 397 62.279 -2.409 12.107 1.00 0.00 H new ATOM 0 HG3 GLU A 397 62.717 -3.979 12.752 1.00 0.00 H new TER 986 GLU A 397 HETATM 987 ZN ZN A 500 60.670 -5.374 -0.119 1.00 0.00 ZN