USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=15 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= -0.222 K(o=0.41,f=-4) USER MOD Set 1.2: A 359 THR OG1 : rot 96:sc= 0.634 USER MOD Single : A 354 THR OG1 : rot -150:sc= -1.91 USER MOD Single : A 355 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0415) USER MOD Single : A 356 LYS NZ :NH3+ 160:sc= -0.142 (180deg=-0.686) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 363 THR OG1 : rot -44:sc= 0.456 USER MOD Single : A 365 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000749) USER MOD Single : A 366 THR OG1 : rot -80:sc= 0.00198 USER MOD Single : A 368 SER OG : rot 180:sc= -1.01 USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -1.51 K(o=-1.5,f=0) USER MOD Single : A 376 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 380 LYS NZ :NH3+ -164:sc= 1.19 (180deg=0.744) USER MOD Single : A 389 HIS : no HE2:sc= -6.49! C(o=-6.5!,f=-6!) USER MOD Single : A 390 LYS NZ :NH3+ -159:sc= -0.284 (180deg=-0.931) USER MOD Single : A 391 ASN : amide:sc= 1.21 K(o=1.2,f=-0.013) USER MOD Single : A 392 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD Single : A 396 LYS NZ :NH3+ 172:sc= -0.02 (180deg=-0.117) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 339 51.184 1.367 -4.110 1.00 0.00 N ATOM 2 CA ARG A 339 50.458 2.063 -5.155 1.00 0.00 C ATOM 3 C ARG A 339 51.178 2.030 -6.418 1.00 0.00 C ATOM 4 O ARG A 339 51.045 1.103 -7.219 1.00 0.00 O ATOM 5 CB ARG A 339 50.123 3.485 -4.750 1.00 0.00 C ATOM 6 CG ARG A 339 49.103 3.600 -3.650 1.00 0.00 C ATOM 7 CD ARG A 339 49.186 4.947 -2.960 1.00 0.00 C ATOM 8 NE ARG A 339 48.123 5.094 -1.961 1.00 0.00 N ATOM 9 CZ ARG A 339 47.613 6.246 -1.514 1.00 0.00 C ATOM 10 NH1 ARG A 339 48.025 7.411 -2.000 1.00 0.00 N ATOM 11 NH2 ARG A 339 46.666 6.219 -0.591 1.00 0.00 N ATOM 0 HA ARG A 339 49.516 1.534 -5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 339 51.039 3.983 -4.432 1.00 0.00 H new ATOM 0 HB3 ARG A 339 49.756 4.021 -5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 339 48.104 3.461 -4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 339 49.260 2.805 -2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 339 50.158 5.054 -2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 339 49.107 5.744 -3.700 1.00 0.00 H new ATOM 0 HE ARG A 339 47.736 4.235 -1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 339 48.741 7.436 -2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 339 47.625 8.281 -1.648 1.00 0.00 H new ATOM 0 HH21 ARG A 339 46.333 5.326 -0.228 1.00 0.00 H new ATOM 0 HH22 ARG A 339 46.269 7.091 -0.242 1.00 0.00 H new ATOM 25 N GLU A 340 51.968 2.952 -6.571 1.00 0.00 N ATOM 26 CA GLU A 340 52.681 3.071 -7.703 1.00 0.00 C ATOM 27 C GLU A 340 54.112 2.806 -7.336 1.00 0.00 C ATOM 28 O GLU A 340 54.789 3.601 -6.707 1.00 0.00 O ATOM 29 CB GLU A 340 52.401 4.414 -8.368 1.00 0.00 C ATOM 30 CG GLU A 340 53.190 5.580 -7.853 1.00 0.00 C ATOM 31 CD GLU A 340 52.449 6.887 -7.927 1.00 0.00 C ATOM 32 OE1 GLU A 340 52.086 7.317 -9.036 1.00 0.00 O ATOM 33 OE2 GLU A 340 52.251 7.531 -6.868 1.00 0.00 O ATOM 0 H GLU A 340 52.144 3.679 -5.878 1.00 0.00 H new ATOM 0 HA GLU A 340 52.400 2.347 -8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 340 52.592 4.315 -9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 340 51.341 4.639 -8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 340 53.471 5.389 -6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 340 54.115 5.663 -8.424 1.00 0.00 H new ATOM 40 N PHE A 341 54.417 1.564 -7.454 1.00 0.00 N ATOM 41 CA PHE A 341 55.809 1.097 -7.385 1.00 0.00 C ATOM 42 C PHE A 341 56.754 2.105 -7.990 1.00 0.00 C ATOM 43 O PHE A 341 56.685 2.451 -9.188 1.00 0.00 O ATOM 44 CB PHE A 341 56.036 -0.261 -8.078 1.00 0.00 C ATOM 45 CG PHE A 341 57.490 -0.611 -8.150 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.233 -0.706 -6.995 1.00 0.00 C ATOM 47 CD2 PHE A 341 58.110 -0.841 -9.360 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.545 -1.022 -7.030 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.442 -1.166 -9.407 1.00 0.00 C ATOM 50 CZ PHE A 341 60.161 -1.260 -8.238 1.00 0.00 C ATOM 0 H PHE A 341 53.732 0.823 -7.601 1.00 0.00 H new ATOM 0 HA PHE A 341 56.014 0.973 -6.322 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.501 -1.040 -7.535 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.619 -0.230 -9.085 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.757 -0.524 -6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.544 -0.765 -10.276 1.00 0.00 H new ATOM 0 HE1 PHE A 341 60.110 -1.088 -6.112 1.00 0.00 H new ATOM 0 HE2 PHE A 341 59.924 -1.347 -10.357 1.00 0.00 H new ATOM 0 HZ PHE A 341 61.209 -1.520 -8.268 1.00 0.00 H new ATOM 60 N ASP A 342 57.613 2.548 -7.173 1.00 0.00 N ATOM 61 CA ASP A 342 58.596 3.490 -7.566 1.00 0.00 C ATOM 62 C ASP A 342 59.933 2.859 -7.390 1.00 0.00 C ATOM 63 O ASP A 342 60.442 2.825 -6.290 1.00 0.00 O ATOM 64 CB ASP A 342 58.564 4.819 -6.777 1.00 0.00 C ATOM 65 CG ASP A 342 57.374 5.707 -7.041 1.00 0.00 C ATOM 66 OD1 ASP A 342 57.283 6.306 -8.140 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.556 5.897 -6.137 1.00 0.00 O ATOM 0 H ASP A 342 57.664 2.269 -6.193 1.00 0.00 H new ATOM 0 HA ASP A 342 58.386 3.752 -8.603 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.593 4.589 -5.712 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.470 5.379 -7.007 1.00 0.00 H new ATOM 72 N PRO A 343 60.527 2.295 -8.437 1.00 0.00 N ATOM 73 CA PRO A 343 61.813 1.625 -8.310 1.00 0.00 C ATOM 74 C PRO A 343 62.898 2.559 -7.866 1.00 0.00 C ATOM 75 O PRO A 343 63.728 2.215 -7.045 1.00 0.00 O ATOM 76 CB PRO A 343 62.091 1.090 -9.708 1.00 0.00 C ATOM 77 CG PRO A 343 61.238 1.900 -10.612 1.00 0.00 C ATOM 78 CD PRO A 343 60.014 2.236 -9.820 1.00 0.00 C ATOM 0 HA PRO A 343 61.788 0.842 -7.552 1.00 0.00 H new ATOM 0 HB2 PRO A 343 63.145 1.191 -9.966 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.846 0.030 -9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.756 2.803 -10.934 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.981 1.342 -11.512 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.579 3.186 -10.131 1.00 0.00 H new ATOM 0 HD3 PRO A 343 59.239 1.478 -9.932 1.00 0.00 H new ATOM 86 N ASP A 344 62.819 3.759 -8.351 1.00 0.00 N ATOM 87 CA ASP A 344 63.796 4.790 -8.107 1.00 0.00 C ATOM 88 C ASP A 344 63.852 5.197 -6.651 1.00 0.00 C ATOM 89 O ASP A 344 64.828 5.828 -6.214 1.00 0.00 O ATOM 90 CB ASP A 344 63.468 6.029 -8.931 1.00 0.00 C ATOM 91 CG ASP A 344 63.587 5.839 -10.420 1.00 0.00 C ATOM 92 OD1 ASP A 344 62.849 5.006 -10.982 1.00 0.00 O ATOM 93 OD2 ASP A 344 64.383 6.555 -11.056 1.00 0.00 O ATOM 0 H ASP A 344 62.050 4.064 -8.948 1.00 0.00 H new ATOM 0 HA ASP A 344 64.763 4.376 -8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.451 6.346 -8.698 1.00 0.00 H new ATOM 0 HB3 ASP A 344 64.132 6.838 -8.627 1.00 0.00 H new ATOM 98 N ILE A 345 62.821 4.857 -5.904 1.00 0.00 N ATOM 99 CA ILE A 345 62.719 5.323 -4.528 1.00 0.00 C ATOM 100 C ILE A 345 62.492 4.159 -3.553 1.00 0.00 C ATOM 101 O ILE A 345 62.809 4.258 -2.380 1.00 0.00 O ATOM 102 CB ILE A 345 61.564 6.400 -4.372 1.00 0.00 C ATOM 103 CG1 ILE A 345 60.267 5.801 -3.815 1.00 0.00 C ATOM 104 CG2 ILE A 345 61.295 7.107 -5.700 1.00 0.00 C ATOM 105 CD1 ILE A 345 59.110 6.785 -3.722 1.00 0.00 C ATOM 0 H ILE A 345 62.049 4.268 -6.217 1.00 0.00 H new ATOM 0 HA ILE A 345 63.670 5.794 -4.278 1.00 0.00 H new ATOM 0 HB ILE A 345 61.918 7.131 -3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 345 59.967 4.965 -4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 345 60.465 5.396 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.500 7.840 -5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 345 62.202 7.612 -6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 345 60.992 6.374 -6.448 1.00 0.00 H new ATOM 0 HD11 ILE A 345 58.233 6.279 -3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 345 59.386 7.610 -3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 345 58.881 7.172 -4.715 1.00 0.00 H new ATOM 117 N HIS A 346 61.959 3.075 -4.049 1.00 0.00 N ATOM 118 CA HIS A 346 61.571 1.977 -3.215 1.00 0.00 C ATOM 119 C HIS A 346 62.420 0.735 -3.360 1.00 0.00 C ATOM 120 O HIS A 346 63.399 0.692 -4.083 1.00 0.00 O ATOM 121 CB HIS A 346 60.087 1.655 -3.407 1.00 0.00 C ATOM 122 CG HIS A 346 59.201 2.581 -2.655 1.00 0.00 C ATOM 123 ND1 HIS A 346 58.178 3.250 -3.255 1.00 0.00 N ATOM 124 CD2 HIS A 346 59.216 2.871 -1.343 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.586 3.934 -2.282 1.00 0.00 C ATOM 126 NE2 HIS A 346 58.188 3.728 -1.110 1.00 0.00 N ATOM 0 H HIS A 346 61.783 2.931 -5.043 1.00 0.00 H new ATOM 0 HA HIS A 346 61.745 2.315 -2.193 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.842 1.705 -4.468 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.896 0.632 -3.083 1.00 0.00 H new ATOM 0 HD2 HIS A 346 59.914 2.493 -0.611 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.728 4.574 -2.422 1.00 0.00 H new ATOM 0 HE2 HIS A 346 57.927 4.135 -0.212 1.00 0.00 H new ATOM 134 N CYS A 347 61.997 -0.268 -2.625 1.00 0.00 N ATOM 135 CA CYS A 347 62.659 -1.562 -2.504 1.00 0.00 C ATOM 136 C CYS A 347 62.868 -2.267 -3.854 1.00 0.00 C ATOM 137 O CYS A 347 63.928 -2.804 -4.087 1.00 0.00 O ATOM 138 CB CYS A 347 61.848 -2.431 -1.520 1.00 0.00 C ATOM 139 SG CYS A 347 62.498 -4.110 -1.101 1.00 0.00 S ATOM 0 H CYS A 347 61.145 -0.209 -2.068 1.00 0.00 H new ATOM 0 HA CYS A 347 63.666 -1.401 -2.118 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.744 -1.872 -0.590 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.846 -2.555 -1.932 1.00 0.00 H new ATOM 144 N GLY A 348 61.833 -2.361 -4.673 1.00 0.00 N ATOM 145 CA GLY A 348 61.999 -2.948 -6.003 1.00 0.00 C ATOM 146 C GLY A 348 62.176 -4.450 -6.024 1.00 0.00 C ATOM 147 O GLY A 348 62.252 -5.037 -7.076 1.00 0.00 O ATOM 0 H GLY A 348 60.888 -2.048 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 348 61.129 -2.692 -6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.865 -2.489 -6.480 1.00 0.00 H new ATOM 151 N VAL A 349 62.168 -5.072 -4.875 1.00 0.00 N ATOM 152 CA VAL A 349 62.386 -6.511 -4.821 1.00 0.00 C ATOM 153 C VAL A 349 61.078 -7.103 -4.938 1.00 0.00 C ATOM 154 O VAL A 349 60.214 -6.825 -4.116 1.00 0.00 O ATOM 155 CB VAL A 349 63.048 -7.015 -3.501 1.00 0.00 C ATOM 156 CG1 VAL A 349 63.377 -8.499 -3.580 1.00 0.00 C ATOM 157 CG2 VAL A 349 64.280 -6.227 -3.136 1.00 0.00 C ATOM 0 H VAL A 349 62.016 -4.623 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 349 63.078 -6.789 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 349 62.314 -6.859 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.837 -8.820 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.461 -9.066 -3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 349 64.069 -8.675 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.701 -6.619 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 349 65.017 -6.313 -3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 349 64.014 -5.179 -2.999 1.00 0.00 H new ATOM 167 N ILE A 350 60.906 -7.838 -5.946 1.00 0.00 N ATOM 168 CA ILE A 350 59.676 -8.455 -6.183 1.00 0.00 C ATOM 169 C ILE A 350 59.361 -9.433 -5.100 1.00 0.00 C ATOM 170 O ILE A 350 60.159 -10.308 -4.742 1.00 0.00 O ATOM 171 CB ILE A 350 59.567 -8.990 -7.605 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.535 -7.747 -8.519 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.361 -9.889 -7.756 1.00 0.00 C ATOM 174 CD1 ILE A 350 59.081 -7.947 -9.930 1.00 0.00 C ATOM 0 H ILE A 350 61.624 -8.034 -6.644 1.00 0.00 H new ATOM 0 HA ILE A 350 58.884 -7.708 -6.132 1.00 0.00 H new ATOM 0 HB ILE A 350 60.410 -9.625 -7.878 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.884 -7.005 -8.057 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.538 -7.320 -8.544 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.307 -10.257 -8.781 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.448 -10.733 -7.072 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.457 -9.326 -7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 350 59.107 -6.994 -10.459 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.742 -8.657 -10.428 1.00 0.00 H new ATOM 0 HD13 ILE A 350 58.063 -8.336 -9.933 1.00 0.00 H new ATOM 186 N ASP A 351 58.224 -9.214 -4.552 1.00 0.00 N ATOM 187 CA ASP A 351 57.809 -9.830 -3.363 1.00 0.00 C ATOM 188 C ASP A 351 57.273 -11.176 -3.698 1.00 0.00 C ATOM 189 O ASP A 351 56.538 -11.311 -4.627 1.00 0.00 O ATOM 190 CB ASP A 351 56.724 -8.959 -2.782 1.00 0.00 C ATOM 191 CG ASP A 351 56.614 -9.031 -1.295 1.00 0.00 C ATOM 192 OD1 ASP A 351 56.031 -9.993 -0.780 1.00 0.00 O ATOM 193 OD2 ASP A 351 57.126 -8.097 -0.603 1.00 0.00 O ATOM 0 H ASP A 351 57.533 -8.573 -4.942 1.00 0.00 H new ATOM 0 HA ASP A 351 58.624 -9.946 -2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 351 56.909 -7.925 -3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 351 55.768 -9.247 -3.220 1.00 0.00 H new ATOM 198 N LEU A 352 57.672 -12.163 -2.993 1.00 0.00 N ATOM 199 CA LEU A 352 57.215 -13.507 -3.241 1.00 0.00 C ATOM 200 C LEU A 352 55.837 -13.764 -2.668 1.00 0.00 C ATOM 201 O LEU A 352 55.124 -14.685 -3.106 1.00 0.00 O ATOM 202 CB LEU A 352 58.255 -14.474 -2.738 1.00 0.00 C ATOM 203 CG LEU A 352 59.311 -14.944 -3.750 1.00 0.00 C ATOM 204 CD1 LEU A 352 58.778 -16.110 -4.558 1.00 0.00 C ATOM 205 CD2 LEU A 352 59.712 -13.827 -4.711 1.00 0.00 C ATOM 0 H LEU A 352 58.330 -12.079 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 352 57.097 -13.654 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 352 58.772 -14.010 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 352 57.741 -15.354 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 352 60.189 -15.247 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 352 59.535 -16.434 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 352 58.533 -16.935 -3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 352 57.882 -15.801 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 352 60.460 -14.200 -5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 352 58.835 -13.490 -5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.127 -12.993 -4.146 1.00 0.00 H new ATOM 217 N ASP A 353 55.438 -12.932 -1.731 1.00 0.00 N ATOM 218 CA ASP A 353 54.144 -13.043 -1.120 1.00 0.00 C ATOM 219 C ASP A 353 53.087 -12.482 -2.043 1.00 0.00 C ATOM 220 O ASP A 353 51.995 -13.036 -2.167 1.00 0.00 O ATOM 221 CB ASP A 353 54.106 -12.283 0.203 1.00 0.00 C ATOM 222 CG ASP A 353 54.924 -12.901 1.313 1.00 0.00 C ATOM 223 OD1 ASP A 353 56.158 -12.681 1.379 1.00 0.00 O ATOM 224 OD2 ASP A 353 54.338 -13.552 2.196 1.00 0.00 O ATOM 0 H ASP A 353 56.005 -12.162 -1.376 1.00 0.00 H new ATOM 0 HA ASP A 353 53.946 -14.098 -0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.461 -11.267 0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 353 53.070 -12.208 0.533 1.00 0.00 H new ATOM 229 N THR A 354 53.409 -11.388 -2.694 1.00 0.00 N ATOM 230 CA THR A 354 52.458 -10.727 -3.562 1.00 0.00 C ATOM 231 C THR A 354 52.785 -10.880 -5.055 1.00 0.00 C ATOM 232 O THR A 354 51.897 -10.823 -5.900 1.00 0.00 O ATOM 233 CB THR A 354 52.325 -9.256 -3.163 1.00 0.00 C ATOM 234 OG1 THR A 354 53.631 -8.696 -2.996 1.00 0.00 O ATOM 235 CG2 THR A 354 51.560 -9.119 -1.865 1.00 0.00 C ATOM 0 H THR A 354 54.322 -10.936 -2.640 1.00 0.00 H new ATOM 0 HA THR A 354 51.498 -11.224 -3.425 1.00 0.00 H new ATOM 0 HB THR A 354 51.782 -8.729 -3.948 1.00 0.00 H new ATOM 0 HG1 THR A 354 53.598 -7.983 -2.325 1.00 0.00 H new ATOM 0 HG21 THR A 354 51.478 -8.065 -1.601 1.00 0.00 H new ATOM 0 HG22 THR A 354 50.563 -9.542 -1.984 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.088 -9.651 -1.074 1.00 0.00 H new ATOM 243 N LYS A 355 54.061 -11.067 -5.359 1.00 0.00 N ATOM 244 CA LYS A 355 54.571 -11.264 -6.731 1.00 0.00 C ATOM 245 C LYS A 355 54.396 -10.061 -7.578 1.00 0.00 C ATOM 246 O LYS A 355 53.934 -10.091 -8.720 1.00 0.00 O ATOM 247 CB LYS A 355 54.118 -12.560 -7.365 1.00 0.00 C ATOM 248 CG LYS A 355 54.795 -13.769 -6.738 1.00 0.00 C ATOM 249 CD LYS A 355 56.298 -13.838 -7.049 1.00 0.00 C ATOM 250 CE LYS A 355 56.586 -14.130 -8.520 1.00 0.00 C ATOM 251 NZ LYS A 355 56.190 -15.502 -8.916 1.00 0.00 N ATOM 0 H LYS A 355 54.796 -11.088 -4.652 1.00 0.00 H new ATOM 0 HA LYS A 355 55.650 -11.389 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 355 53.037 -12.656 -7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 355 54.335 -12.536 -8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 355 54.653 -13.739 -5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 355 54.312 -14.677 -7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 355 56.765 -12.893 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 355 56.756 -14.612 -6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 355 56.054 -13.409 -9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 355 57.650 -13.993 -8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 56.498 -15.684 -9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 56.638 -16.190 -8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 55.156 -15.596 -8.856 1.00 0.00 H new ATOM 265 N LYS A 356 54.798 -9.018 -6.984 1.00 0.00 N ATOM 266 CA LYS A 356 54.786 -7.703 -7.502 1.00 0.00 C ATOM 267 C LYS A 356 55.987 -7.034 -6.901 1.00 0.00 C ATOM 268 O LYS A 356 56.599 -7.620 -6.003 1.00 0.00 O ATOM 269 CB LYS A 356 53.508 -7.042 -7.037 1.00 0.00 C ATOM 270 CG LYS A 356 53.456 -6.752 -5.559 1.00 0.00 C ATOM 271 CD LYS A 356 52.195 -6.031 -5.206 1.00 0.00 C ATOM 272 CE LYS A 356 52.198 -5.609 -3.752 1.00 0.00 C ATOM 273 NZ LYS A 356 53.366 -4.763 -3.426 1.00 0.00 N ATOM 0 H LYS A 356 55.179 -9.056 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 356 54.823 -7.655 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.378 -6.107 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.666 -7.683 -7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.517 -7.685 -4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 356 54.318 -6.150 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 356 52.084 -5.153 -5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.337 -6.676 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 356 51.281 -5.063 -3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 356 52.203 -6.495 -3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 53.173 -4.225 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 54.202 -5.365 -3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 53.546 -4.102 -4.209 1.00 0.00 H new ATOM 287 N PRO A 357 56.378 -5.847 -7.341 1.00 0.00 N ATOM 288 CA PRO A 357 57.499 -5.195 -6.762 1.00 0.00 C ATOM 289 C PRO A 357 57.238 -4.706 -5.385 1.00 0.00 C ATOM 290 O PRO A 357 56.142 -4.859 -4.818 1.00 0.00 O ATOM 291 CB PRO A 357 57.817 -4.063 -7.647 1.00 0.00 C ATOM 292 CG PRO A 357 56.710 -3.903 -8.614 1.00 0.00 C ATOM 293 CD PRO A 357 55.762 -5.061 -8.410 1.00 0.00 C ATOM 0 HA PRO A 357 58.325 -5.900 -6.672 1.00 0.00 H new ATOM 0 HB2 PRO A 357 57.947 -3.151 -7.065 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.756 -4.243 -8.171 1.00 0.00 H new ATOM 0 HG2 PRO A 357 56.197 -2.954 -8.457 1.00 0.00 H new ATOM 0 HG3 PRO A 357 57.091 -3.894 -9.635 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.767 -4.716 -8.128 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.649 -5.648 -9.321 1.00 0.00 H new ATOM 301 N CYS A 358 58.201 -4.057 -4.848 1.00 0.00 N ATOM 302 CA CYS A 358 58.142 -3.788 -3.551 1.00 0.00 C ATOM 303 C CYS A 358 58.313 -2.381 -3.290 1.00 0.00 C ATOM 304 O CYS A 358 59.423 -1.850 -3.315 1.00 0.00 O ATOM 305 CB CYS A 358 59.136 -4.535 -2.873 1.00 0.00 C ATOM 306 SG CYS A 358 58.884 -4.527 -1.145 1.00 0.00 S ATOM 0 H CYS A 358 59.031 -3.718 -5.335 1.00 0.00 H new ATOM 0 HA CYS A 358 57.154 -4.069 -3.187 1.00 0.00 H new ATOM 0 HB2 CYS A 358 59.130 -5.562 -3.237 1.00 0.00 H new ATOM 0 HB3 CYS A 358 60.119 -4.122 -3.099 1.00 0.00 H new ATOM 311 N THR A 359 57.270 -1.797 -3.040 1.00 0.00 N ATOM 312 CA THR A 359 57.225 -0.443 -2.711 1.00 0.00 C ATOM 313 C THR A 359 56.749 -0.291 -1.262 1.00 0.00 C ATOM 314 O THR A 359 55.674 0.176 -0.951 1.00 0.00 O ATOM 315 CB THR A 359 56.448 0.367 -3.812 1.00 0.00 C ATOM 316 OG1 THR A 359 56.017 1.656 -3.419 1.00 0.00 O ATOM 317 CG2 THR A 359 55.323 -0.456 -4.415 1.00 0.00 C ATOM 0 H THR A 359 56.356 -2.250 -3.052 1.00 0.00 H new ATOM 0 HA THR A 359 58.214 0.014 -2.723 1.00 0.00 H new ATOM 0 HB THR A 359 57.186 0.563 -4.590 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.673 2.323 -3.710 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.806 0.134 -5.172 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.735 -1.355 -4.874 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.619 -0.738 -3.632 1.00 0.00 H new ATOM 325 N ARG A 360 57.550 -0.889 -0.392 1.00 0.00 N ATOM 326 CA ARG A 360 57.368 -0.759 1.031 1.00 0.00 C ATOM 327 C ARG A 360 58.086 0.453 1.512 1.00 0.00 C ATOM 328 O ARG A 360 57.489 1.478 1.837 1.00 0.00 O ATOM 329 CB ARG A 360 57.880 -1.995 1.747 1.00 0.00 C ATOM 330 CG ARG A 360 56.950 -3.159 1.589 1.00 0.00 C ATOM 331 CD ARG A 360 56.842 -3.946 2.847 1.00 0.00 C ATOM 332 NE ARG A 360 55.996 -5.130 2.670 1.00 0.00 N ATOM 333 CZ ARG A 360 55.354 -5.773 3.652 1.00 0.00 C ATOM 334 NH1 ARG A 360 55.337 -5.270 4.875 1.00 0.00 N ATOM 335 NH2 ARG A 360 54.727 -6.911 3.402 1.00 0.00 N ATOM 0 H ARG A 360 58.340 -1.475 -0.660 1.00 0.00 H new ATOM 0 HA ARG A 360 56.305 -0.657 1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.862 -2.260 1.356 1.00 0.00 H new ATOM 0 HB3 ARG A 360 58.008 -1.774 2.807 1.00 0.00 H new ATOM 0 HG2 ARG A 360 55.963 -2.800 1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 360 57.305 -3.803 0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 360 57.836 -4.253 3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.429 -3.317 3.636 1.00 0.00 H new ATOM 0 HE ARG A 360 55.888 -5.492 1.723 1.00 0.00 H new ATOM 0 HH11 ARG A 360 55.814 -4.390 5.071 1.00 0.00 H new ATOM 0 HH12 ARG A 360 54.847 -5.762 5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 360 54.732 -7.300 2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 360 54.238 -7.399 4.152 1.00 0.00 H new ATOM 349 N SER A 361 59.365 0.343 1.488 1.00 0.00 N ATOM 350 CA SER A 361 60.226 1.372 1.863 1.00 0.00 C ATOM 351 C SER A 361 61.569 1.025 1.376 1.00 0.00 C ATOM 352 O SER A 361 61.786 -0.089 0.807 1.00 0.00 O ATOM 353 CB SER A 361 60.240 1.560 3.378 1.00 0.00 C ATOM 354 OG SER A 361 60.585 0.347 4.039 1.00 0.00 O ATOM 0 H SER A 361 59.846 -0.506 1.192 1.00 0.00 H new ATOM 0 HA SER A 361 59.889 2.314 1.430 1.00 0.00 H new ATOM 0 HB2 SER A 361 60.954 2.340 3.645 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.260 1.896 3.715 1.00 0.00 H new ATOM 0 HG SER A 361 60.589 0.492 5.008 1.00 0.00 H new ATOM 360 N LEU A 362 62.457 1.911 1.629 1.00 0.00 N ATOM 361 CA LEU A 362 63.813 1.822 1.247 1.00 0.00 C ATOM 362 C LEU A 362 64.530 0.833 2.161 1.00 0.00 C ATOM 363 O LEU A 362 65.585 0.346 1.850 1.00 0.00 O ATOM 364 CB LEU A 362 64.454 3.221 1.369 1.00 0.00 C ATOM 365 CG LEU A 362 63.848 4.381 0.509 1.00 0.00 C ATOM 366 CD1 LEU A 362 62.478 4.854 0.996 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.798 5.562 0.385 1.00 0.00 C ATOM 0 H LEU A 362 62.243 2.768 2.139 1.00 0.00 H new ATOM 0 HA LEU A 362 63.895 1.474 0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.407 3.521 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.509 3.129 1.111 1.00 0.00 H new ATOM 0 HG LEU A 362 63.702 3.947 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 362 62.121 5.658 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 362 61.773 4.023 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 362 62.562 5.218 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 362 64.333 6.341 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 362 65.019 5.957 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 362 65.723 5.236 -0.091 1.00 0.00 H new ATOM 379 N THR A 363 63.886 0.503 3.258 1.00 0.00 N ATOM 380 CA THR A 363 64.473 -0.338 4.285 1.00 0.00 C ATOM 381 C THR A 363 63.547 -1.540 4.562 1.00 0.00 C ATOM 382 O THR A 363 63.596 -2.145 5.641 1.00 0.00 O ATOM 383 CB THR A 363 64.648 0.515 5.554 1.00 0.00 C ATOM 384 OG1 THR A 363 65.349 -0.182 6.588 1.00 0.00 O ATOM 385 CG2 THR A 363 63.298 0.965 6.061 1.00 0.00 C ATOM 0 H THR A 363 62.936 0.810 3.467 1.00 0.00 H new ATOM 0 HA THR A 363 65.441 -0.723 3.963 1.00 0.00 H new ATOM 0 HB THR A 363 65.251 1.381 5.282 1.00 0.00 H new ATOM 0 HG1 THR A 363 65.002 -1.096 6.660 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.429 1.568 6.959 1.00 0.00 H new ATOM 0 HG22 THR A 363 62.801 1.559 5.294 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.688 0.093 6.296 1.00 0.00 H new ATOM 393 N CYS A 364 62.743 -1.867 3.542 1.00 0.00 N ATOM 394 CA CYS A 364 61.764 -2.971 3.526 1.00 0.00 C ATOM 395 C CYS A 364 62.092 -4.131 4.494 1.00 0.00 C ATOM 396 O CYS A 364 63.113 -4.804 4.336 1.00 0.00 O ATOM 397 CB CYS A 364 61.779 -3.535 2.175 1.00 0.00 C ATOM 398 SG CYS A 364 60.786 -4.994 1.997 1.00 0.00 S ATOM 0 H CYS A 364 62.755 -1.348 2.664 1.00 0.00 H new ATOM 0 HA CYS A 364 60.806 -2.552 3.835 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.428 -2.780 1.472 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.807 -3.771 1.901 1.00 0.00 H new ATOM 403 N LYS A 365 61.170 -4.402 5.381 1.00 0.00 N ATOM 404 CA LYS A 365 61.305 -5.323 6.478 1.00 0.00 C ATOM 405 C LYS A 365 61.053 -6.772 6.048 1.00 0.00 C ATOM 406 O LYS A 365 61.426 -7.720 6.729 1.00 0.00 O ATOM 407 CB LYS A 365 60.271 -4.864 7.497 1.00 0.00 C ATOM 408 CG LYS A 365 60.211 -5.624 8.779 1.00 0.00 C ATOM 409 CD LYS A 365 59.135 -5.052 9.704 1.00 0.00 C ATOM 410 CE LYS A 365 57.721 -5.104 9.086 1.00 0.00 C ATOM 411 NZ LYS A 365 57.254 -6.489 8.847 1.00 0.00 N ATOM 0 H LYS A 365 60.251 -3.959 5.355 1.00 0.00 H new ATOM 0 HA LYS A 365 62.317 -5.319 6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 365 60.465 -3.817 7.731 1.00 0.00 H new ATOM 0 HB3 LYS A 365 59.288 -4.909 7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 365 60.000 -6.674 8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 365 61.181 -5.585 9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 365 59.137 -5.607 10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 365 59.383 -4.018 9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 365 57.020 -4.598 9.749 1.00 0.00 H new ATOM 0 HE3 LYS A 365 57.720 -4.557 8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 56.294 -6.468 8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 57.896 -6.962 8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 57.243 -7.012 9.746 1.00 0.00 H new ATOM 425 N THR A 366 60.469 -6.927 4.910 1.00 0.00 N ATOM 426 CA THR A 366 60.087 -8.216 4.427 1.00 0.00 C ATOM 427 C THR A 366 61.295 -8.921 3.862 1.00 0.00 C ATOM 428 O THR A 366 61.541 -10.110 4.080 1.00 0.00 O ATOM 429 CB THR A 366 59.193 -7.993 3.252 1.00 0.00 C ATOM 430 OG1 THR A 366 58.187 -7.030 3.555 1.00 0.00 O ATOM 431 CG2 THR A 366 58.606 -9.276 2.685 1.00 0.00 C ATOM 0 H THR A 366 60.240 -6.158 4.280 1.00 0.00 H new ATOM 0 HA THR A 366 59.627 -8.788 5.233 1.00 0.00 H new ATOM 0 HB THR A 366 59.819 -7.590 2.456 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.466 -7.458 4.062 1.00 0.00 H new ATOM 0 HG21 THR A 366 57.967 -9.039 1.834 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.413 -9.933 2.361 1.00 0.00 H new ATOM 0 HG23 THR A 366 58.017 -9.777 3.453 1.00 0.00 H new ATOM 439 N HIS A 367 62.045 -8.130 3.172 1.00 0.00 N ATOM 440 CA HIS A 367 63.096 -8.569 2.342 1.00 0.00 C ATOM 441 C HIS A 367 64.383 -8.318 3.004 1.00 0.00 C ATOM 442 O HIS A 367 64.566 -7.265 3.593 1.00 0.00 O ATOM 443 CB HIS A 367 63.007 -7.826 0.988 1.00 0.00 C ATOM 444 CG HIS A 367 61.880 -8.294 0.085 1.00 0.00 C ATOM 445 ND1 HIS A 367 61.109 -7.420 -0.665 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.491 -9.547 -0.172 1.00 0.00 C ATOM 447 CE1 HIS A 367 60.283 -8.208 -1.353 1.00 0.00 C ATOM 448 NE2 HIS A 367 60.487 -9.492 -1.077 1.00 0.00 N ATOM 0 H HIS A 367 61.931 -7.116 3.177 1.00 0.00 H new ATOM 0 HA HIS A 367 63.015 -9.640 2.159 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.882 -6.760 1.180 1.00 0.00 H new ATOM 0 HB3 HIS A 367 63.953 -7.946 0.459 1.00 0.00 H new ATOM 0 HD2 HIS A 367 61.905 -10.444 0.265 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.540 -7.848 -2.049 1.00 0.00 H new ATOM 0 HE2 HIS A 367 59.982 -10.285 -1.472 1.00 0.00 H new ATOM 456 N SER A 368 65.253 -9.263 2.918 1.00 0.00 N ATOM 457 CA SER A 368 66.533 -9.152 3.519 1.00 0.00 C ATOM 458 C SER A 368 67.463 -8.256 2.777 1.00 0.00 C ATOM 459 O SER A 368 67.314 -8.049 1.568 1.00 0.00 O ATOM 460 CB SER A 368 67.118 -10.503 3.828 1.00 0.00 C ATOM 461 OG SER A 368 66.978 -11.404 2.746 1.00 0.00 O ATOM 0 H SER A 368 65.094 -10.141 2.424 1.00 0.00 H new ATOM 0 HA SER A 368 66.385 -8.651 4.476 1.00 0.00 H new ATOM 0 HB2 SER A 368 68.174 -10.393 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.628 -10.917 4.709 1.00 0.00 H new ATOM 0 HG SER A 368 67.372 -12.268 2.987 1.00 0.00 H new ATOM 467 N LEU A 369 68.407 -7.718 3.519 1.00 0.00 N ATOM 468 CA LEU A 369 69.387 -6.763 3.060 1.00 0.00 C ATOM 469 C LEU A 369 70.000 -7.150 1.743 1.00 0.00 C ATOM 470 O LEU A 369 70.030 -6.327 0.802 1.00 0.00 O ATOM 471 CB LEU A 369 70.448 -6.568 4.168 1.00 0.00 C ATOM 472 CG LEU A 369 71.670 -5.651 3.893 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.741 -6.374 3.102 1.00 0.00 C ATOM 474 CD2 LEU A 369 71.240 -4.425 3.125 1.00 0.00 C ATOM 0 H LEU A 369 68.515 -7.948 4.507 1.00 0.00 H new ATOM 0 HA LEU A 369 68.889 -5.812 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 369 69.936 -6.177 5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.830 -7.554 4.433 1.00 0.00 H new ATOM 0 HG LEU A 369 72.083 -5.362 4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.581 -5.702 2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 369 73.083 -7.244 3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.331 -6.697 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 369 72.106 -3.790 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.800 -4.727 2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.503 -3.871 3.707 1.00 0.00 H new ATOM 486 N THR A 370 70.412 -8.379 1.634 1.00 0.00 N ATOM 487 CA THR A 370 71.099 -8.812 0.447 1.00 0.00 C ATOM 488 C THR A 370 70.183 -8.750 -0.765 1.00 0.00 C ATOM 489 O THR A 370 70.618 -8.444 -1.871 1.00 0.00 O ATOM 490 CB THR A 370 71.734 -10.197 0.615 1.00 0.00 C ATOM 491 OG1 THR A 370 72.628 -10.153 1.743 1.00 0.00 O ATOM 492 CG2 THR A 370 72.523 -10.566 -0.629 1.00 0.00 C ATOM 0 H THR A 370 70.287 -9.098 2.347 1.00 0.00 H new ATOM 0 HA THR A 370 71.922 -8.118 0.277 1.00 0.00 H new ATOM 0 HB THR A 370 70.953 -10.941 0.771 1.00 0.00 H new ATOM 0 HG1 THR A 370 73.042 -11.032 1.866 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.969 -11.552 -0.498 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.856 -10.581 -1.491 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.310 -9.830 -0.792 1.00 0.00 H new ATOM 500 N GLN A 371 68.902 -8.928 -0.523 1.00 0.00 N ATOM 501 CA GLN A 371 67.931 -8.969 -1.597 1.00 0.00 C ATOM 502 C GLN A 371 67.712 -7.574 -2.123 1.00 0.00 C ATOM 503 O GLN A 371 67.496 -7.375 -3.308 1.00 0.00 O ATOM 504 CB GLN A 371 66.607 -9.515 -1.129 1.00 0.00 C ATOM 505 CG GLN A 371 66.719 -10.686 -0.191 1.00 0.00 C ATOM 506 CD GLN A 371 65.436 -11.449 -0.084 1.00 0.00 C ATOM 507 OE1 GLN A 371 65.429 -12.648 0.126 1.00 0.00 O ATOM 508 NE2 GLN A 371 64.348 -10.758 -0.201 1.00 0.00 N ATOM 0 H GLN A 371 68.507 -9.047 0.410 1.00 0.00 H new ATOM 0 HA GLN A 371 68.323 -9.624 -2.375 1.00 0.00 H new ATOM 0 HB2 GLN A 371 66.053 -8.718 -0.633 1.00 0.00 H new ATOM 0 HB3 GLN A 371 66.023 -9.815 -1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.509 -11.353 -0.538 1.00 0.00 H new ATOM 0 HG3 GLN A 371 67.012 -10.331 0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 371 64.398 -9.755 -0.377 1.00 0.00 H new ATOM 0 HE22 GLN A 371 63.441 -11.217 -0.117 1.00 0.00 H new ATOM 517 N ARG A 372 67.782 -6.593 -1.226 1.00 0.00 N ATOM 518 CA ARG A 372 67.625 -5.223 -1.646 1.00 0.00 C ATOM 519 C ARG A 372 68.808 -4.805 -2.483 1.00 0.00 C ATOM 520 O ARG A 372 68.639 -4.160 -3.508 1.00 0.00 O ATOM 521 CB ARG A 372 67.473 -4.216 -0.515 1.00 0.00 C ATOM 522 CG ARG A 372 66.219 -4.284 0.340 1.00 0.00 C ATOM 523 CD ARG A 372 66.340 -5.329 1.388 1.00 0.00 C ATOM 524 NE ARG A 372 65.765 -4.922 2.635 1.00 0.00 N ATOM 525 CZ ARG A 372 66.442 -4.380 3.668 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.679 -3.932 3.506 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.861 -4.265 4.836 1.00 0.00 N ATOM 0 H ARG A 372 67.943 -6.726 -0.228 1.00 0.00 H new ATOM 0 HA ARG A 372 66.692 -5.209 -2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.333 -4.324 0.146 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.527 -3.217 -0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 372 66.041 -3.315 0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.356 -4.496 -0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.851 -6.241 1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.393 -5.569 1.538 1.00 0.00 H new ATOM 0 HE ARG A 372 64.760 -5.053 2.752 1.00 0.00 H new ATOM 0 HH11 ARG A 372 68.129 -3.995 2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 372 68.181 -3.524 4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.901 -4.585 4.962 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.369 -3.856 5.620 1.00 0.00 H new ATOM 541 N ARG A 373 70.018 -5.192 -2.043 1.00 0.00 N ATOM 542 CA ARG A 373 71.230 -4.864 -2.791 1.00 0.00 C ATOM 543 C ARG A 373 71.234 -5.603 -4.132 1.00 0.00 C ATOM 544 O ARG A 373 71.730 -5.099 -5.133 1.00 0.00 O ATOM 545 CB ARG A 373 72.474 -5.229 -1.981 1.00 0.00 C ATOM 546 CG ARG A 373 72.575 -4.480 -0.685 1.00 0.00 C ATOM 547 CD ARG A 373 73.854 -4.760 0.049 1.00 0.00 C ATOM 548 NE ARG A 373 74.937 -3.883 -0.386 1.00 0.00 N ATOM 549 CZ ARG A 373 76.157 -4.257 -0.773 1.00 0.00 C ATOM 550 NH1 ARG A 373 76.487 -5.534 -0.835 1.00 0.00 N ATOM 551 NH2 ARG A 373 77.040 -3.326 -1.079 1.00 0.00 N ATOM 0 H ARG A 373 70.175 -5.723 -1.187 1.00 0.00 H new ATOM 0 HA ARG A 373 71.245 -3.790 -2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.465 -6.299 -1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.362 -5.027 -2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.501 -3.410 -0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.731 -4.747 -0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.693 -4.634 1.120 1.00 0.00 H new ATOM 0 HD3 ARG A 373 74.143 -5.799 -0.109 1.00 0.00 H new ATOM 0 HE ARG A 373 74.740 -2.882 -0.395 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.805 -6.250 -0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 373 77.424 -5.805 -1.133 1.00 0.00 H new ATOM 0 HH21 ARG A 373 76.784 -2.341 -1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 373 77.979 -3.592 -1.377 1.00 0.00 H new ATOM 565 N ALA A 374 70.631 -6.783 -4.127 1.00 0.00 N ATOM 566 CA ALA A 374 70.545 -7.646 -5.305 1.00 0.00 C ATOM 567 C ALA A 374 69.644 -7.092 -6.409 1.00 0.00 C ATOM 568 O ALA A 374 69.860 -7.389 -7.595 1.00 0.00 O ATOM 569 CB ALA A 374 70.077 -9.041 -4.918 1.00 0.00 C ATOM 0 H ALA A 374 70.182 -7.175 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 374 71.555 -7.689 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 374 70.020 -9.666 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.783 -9.479 -4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 374 69.092 -8.979 -4.455 1.00 0.00 H new ATOM 575 N VAL A 375 68.641 -6.323 -6.056 1.00 0.00 N ATOM 576 CA VAL A 375 67.743 -5.820 -7.068 1.00 0.00 C ATOM 577 C VAL A 375 68.209 -4.456 -7.596 1.00 0.00 C ATOM 578 O VAL A 375 68.610 -3.575 -6.831 1.00 0.00 O ATOM 579 CB VAL A 375 66.254 -5.759 -6.602 1.00 0.00 C ATOM 580 CG1 VAL A 375 66.045 -4.691 -5.557 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.326 -5.544 -7.790 1.00 0.00 C ATOM 0 H VAL A 375 68.429 -6.037 -5.100 1.00 0.00 H new ATOM 0 HA VAL A 375 67.778 -6.541 -7.884 1.00 0.00 H new ATOM 0 HB VAL A 375 66.010 -6.718 -6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.998 -4.677 -5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.669 -4.904 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.317 -3.720 -5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.294 -5.505 -7.443 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.579 -4.606 -8.284 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.441 -6.367 -8.495 1.00 0.00 H new ATOM 591 N GLN A 376 68.112 -4.302 -8.892 1.00 0.00 N ATOM 592 CA GLN A 376 68.517 -3.103 -9.631 1.00 0.00 C ATOM 593 C GLN A 376 67.407 -2.034 -9.657 1.00 0.00 C ATOM 594 O GLN A 376 67.379 -1.182 -10.556 1.00 0.00 O ATOM 595 CB GLN A 376 68.832 -3.522 -11.064 1.00 0.00 C ATOM 596 CG GLN A 376 67.794 -4.479 -11.651 1.00 0.00 C ATOM 597 CD GLN A 376 67.939 -4.676 -13.129 1.00 0.00 C ATOM 598 OE1 GLN A 376 68.683 -5.538 -13.593 1.00 0.00 O ATOM 599 NE2 GLN A 376 67.207 -3.911 -13.882 1.00 0.00 N ATOM 0 H GLN A 376 67.735 -5.030 -9.498 1.00 0.00 H new ATOM 0 HA GLN A 376 69.384 -2.665 -9.136 1.00 0.00 H new ATOM 0 HB2 GLN A 376 68.893 -2.633 -11.691 1.00 0.00 H new ATOM 0 HB3 GLN A 376 69.812 -3.998 -11.090 1.00 0.00 H new ATOM 0 HG2 GLN A 376 67.878 -5.445 -11.153 1.00 0.00 H new ATOM 0 HG3 GLN A 376 66.796 -4.096 -11.439 1.00 0.00 H new ATOM 0 HE21 GLN A 376 66.602 -3.207 -13.459 1.00 0.00 H new ATOM 0 HE22 GLN A 376 67.237 -4.014 -14.896 1.00 0.00 H new ATOM 608 N GLY A 377 66.564 -2.044 -8.646 1.00 0.00 N ATOM 609 CA GLY A 377 65.389 -1.190 -8.602 1.00 0.00 C ATOM 610 C GLY A 377 65.662 0.311 -8.622 1.00 0.00 C ATOM 611 O GLY A 377 65.174 1.032 -9.499 1.00 0.00 O ATOM 0 H GLY A 377 66.672 -2.645 -7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.751 -1.436 -9.451 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.824 -1.426 -7.700 1.00 0.00 H new ATOM 615 N ARG A 378 66.464 0.761 -7.705 1.00 0.00 N ATOM 616 CA ARG A 378 66.680 2.171 -7.454 1.00 0.00 C ATOM 617 C ARG A 378 67.488 2.845 -8.541 1.00 0.00 C ATOM 618 O ARG A 378 68.116 2.201 -9.398 1.00 0.00 O ATOM 619 CB ARG A 378 67.387 2.294 -6.134 1.00 0.00 C ATOM 620 CG ARG A 378 66.675 1.566 -5.016 1.00 0.00 C ATOM 621 CD ARG A 378 67.662 1.061 -4.040 1.00 0.00 C ATOM 622 NE ARG A 378 67.028 0.074 -3.248 1.00 0.00 N ATOM 623 CZ ARG A 378 66.916 -1.182 -3.648 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.385 -1.532 -4.838 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.345 -2.075 -2.876 1.00 0.00 N ATOM 0 H ARG A 378 67.004 0.151 -7.091 1.00 0.00 H new ATOM 0 HA ARG A 378 65.714 2.675 -7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.399 1.900 -6.231 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.479 3.348 -5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 378 65.972 2.237 -4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 378 66.094 0.738 -5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.526 0.640 -4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 378 68.029 1.874 -3.414 1.00 0.00 H new ATOM 0 HE ARG A 378 66.646 0.339 -2.340 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.828 -0.835 -5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.303 -2.498 -5.154 1.00 0.00 H new ATOM 0 HH21 ARG A 378 65.984 -1.803 -1.962 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.262 -3.042 -3.190 1.00 0.00 H new ATOM 639 N ARG A 379 67.475 4.151 -8.494 1.00 0.00 N ATOM 640 CA ARG A 379 68.218 4.966 -9.424 1.00 0.00 C ATOM 641 C ARG A 379 69.657 5.129 -8.956 1.00 0.00 C ATOM 642 O ARG A 379 70.489 5.696 -9.644 1.00 0.00 O ATOM 643 CB ARG A 379 67.534 6.318 -9.597 1.00 0.00 C ATOM 644 CG ARG A 379 67.272 7.074 -8.333 1.00 0.00 C ATOM 645 CD ARG A 379 66.480 8.313 -8.631 1.00 0.00 C ATOM 646 NE ARG A 379 67.260 9.288 -9.398 1.00 0.00 N ATOM 647 CZ ARG A 379 66.838 10.494 -9.802 1.00 0.00 C ATOM 648 NH1 ARG A 379 65.583 10.876 -9.602 1.00 0.00 N ATOM 649 NH2 ARG A 379 67.674 11.291 -10.442 1.00 0.00 N ATOM 0 H ARG A 379 66.945 4.685 -7.805 1.00 0.00 H new ATOM 0 HA ARG A 379 68.239 4.470 -10.394 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.151 6.937 -10.249 1.00 0.00 H new ATOM 0 HB3 ARG A 379 66.585 6.162 -10.110 1.00 0.00 H new ATOM 0 HG2 ARG A 379 66.727 6.445 -7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 379 68.216 7.341 -7.857 1.00 0.00 H new ATOM 0 HD2 ARG A 379 65.583 8.045 -9.190 1.00 0.00 H new ATOM 0 HD3 ARG A 379 66.150 8.767 -7.696 1.00 0.00 H new ATOM 0 HE ARG A 379 68.213 9.024 -9.648 1.00 0.00 H new ATOM 0 HH11 ARG A 379 64.927 10.249 -9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 379 65.274 11.797 -9.914 1.00 0.00 H new ATOM 0 HH21 ARG A 379 68.630 10.987 -10.624 1.00 0.00 H new ATOM 0 HH22 ARG A 379 67.363 12.211 -10.754 1.00 0.00 H new ATOM 663 N LYS A 380 69.927 4.620 -7.769 1.00 0.00 N ATOM 664 CA LYS A 380 71.188 4.672 -7.147 1.00 0.00 C ATOM 665 C LYS A 380 71.426 3.250 -6.680 1.00 0.00 C ATOM 666 O LYS A 380 70.581 2.382 -6.953 1.00 0.00 O ATOM 667 CB LYS A 380 71.037 5.610 -5.949 1.00 0.00 C ATOM 668 CG LYS A 380 70.455 6.947 -6.329 1.00 0.00 C ATOM 669 CD LYS A 380 69.799 7.657 -5.172 1.00 0.00 C ATOM 670 CE LYS A 380 69.053 8.884 -5.679 1.00 0.00 C ATOM 671 NZ LYS A 380 68.316 9.584 -4.621 1.00 0.00 N ATOM 0 H LYS A 380 69.224 4.142 -7.206 1.00 0.00 H new ATOM 0 HA LYS A 380 72.003 5.024 -7.779 1.00 0.00 H new ATOM 0 HB2 LYS A 380 70.398 5.139 -5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.012 5.761 -5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.246 7.579 -6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 380 69.722 6.805 -7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 380 69.108 6.984 -4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 380 70.551 7.953 -4.441 1.00 0.00 H new ATOM 0 HE2 LYS A 380 69.765 9.572 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 380 68.356 8.582 -6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 67.624 10.231 -5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 67.819 8.890 -4.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 68.982 10.128 -4.036 1.00 0.00 H new ATOM 685 N ARG A 381 72.522 2.971 -6.023 1.00 0.00 N ATOM 686 CA ARG A 381 72.690 1.639 -5.436 1.00 0.00 C ATOM 687 C ARG A 381 71.784 1.569 -4.241 1.00 0.00 C ATOM 688 O ARG A 381 71.210 2.570 -3.829 1.00 0.00 O ATOM 689 CB ARG A 381 74.101 1.355 -4.955 1.00 0.00 C ATOM 690 CG ARG A 381 75.223 1.999 -5.704 1.00 0.00 C ATOM 691 CD ARG A 381 76.554 1.374 -5.296 1.00 0.00 C ATOM 692 NE ARG A 381 76.590 0.976 -3.862 1.00 0.00 N ATOM 693 CZ ARG A 381 77.680 0.971 -3.080 1.00 0.00 C ATOM 694 NH1 ARG A 381 78.808 1.554 -3.484 1.00 0.00 N ATOM 695 NH2 ARG A 381 77.621 0.405 -1.870 1.00 0.00 N ATOM 0 H ARG A 381 73.298 3.616 -5.876 1.00 0.00 H new ATOM 0 HA ARG A 381 72.460 0.906 -6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.170 1.664 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.255 0.276 -4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.070 1.880 -6.777 1.00 0.00 H new ATOM 0 HG3 ARG A 381 75.238 3.070 -5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 381 76.744 0.498 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 381 77.358 2.083 -5.492 1.00 0.00 H new ATOM 0 HE ARG A 381 75.710 0.682 -3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 381 78.848 2.010 -4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 381 79.631 1.545 -2.882 1.00 0.00 H new ATOM 0 HH21 ARG A 381 76.751 -0.019 -1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 381 78.446 0.397 -1.270 1.00 0.00 H new ATOM 709 N PHE A 382 71.677 0.445 -3.668 1.00 0.00 N ATOM 710 CA PHE A 382 70.807 0.293 -2.549 1.00 0.00 C ATOM 711 C PHE A 382 71.336 0.958 -1.295 1.00 0.00 C ATOM 712 O PHE A 382 70.598 1.621 -0.602 1.00 0.00 O ATOM 713 CB PHE A 382 70.474 -1.158 -2.290 1.00 0.00 C ATOM 714 CG PHE A 382 69.783 -1.359 -0.974 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.531 -0.859 -0.779 1.00 0.00 C ATOM 716 CD2 PHE A 382 70.405 -1.983 0.069 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.895 -0.981 0.408 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.784 -2.098 1.270 1.00 0.00 C ATOM 719 CZ PHE A 382 68.521 -1.596 1.439 1.00 0.00 C ATOM 0 H PHE A 382 72.178 -0.399 -3.945 1.00 0.00 H new ATOM 0 HA PHE A 382 69.885 0.810 -2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.837 -1.531 -3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.391 -1.748 -2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 382 68.034 -0.352 -1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 382 71.398 -2.388 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.896 -0.591 0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 382 70.286 -2.585 2.093 1.00 0.00 H new ATOM 0 HZ PHE A 382 68.025 -1.691 2.394 1.00 0.00 H new ATOM 729 N ASP A 383 72.592 0.793 -1.033 1.00 0.00 N ATOM 730 CA ASP A 383 73.197 1.287 0.203 1.00 0.00 C ATOM 731 C ASP A 383 73.131 2.799 0.249 1.00 0.00 C ATOM 732 O ASP A 383 72.824 3.393 1.271 1.00 0.00 O ATOM 733 CB ASP A 383 74.657 0.876 0.312 1.00 0.00 C ATOM 734 CG ASP A 383 74.938 -0.616 0.218 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.547 -1.390 1.118 1.00 0.00 O ATOM 736 OD2 ASP A 383 75.570 -1.046 -0.794 1.00 0.00 O ATOM 0 H ASP A 383 73.243 0.315 -1.656 1.00 0.00 H new ATOM 0 HA ASP A 383 72.637 0.852 1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.216 1.381 -0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 383 75.046 1.240 1.263 1.00 0.00 H new ATOM 741 N VAL A 384 73.381 3.410 -0.888 1.00 0.00 N ATOM 742 CA VAL A 384 73.384 4.854 -1.012 1.00 0.00 C ATOM 743 C VAL A 384 71.980 5.394 -0.875 1.00 0.00 C ATOM 744 O VAL A 384 71.753 6.467 -0.324 1.00 0.00 O ATOM 745 CB VAL A 384 74.008 5.262 -2.358 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.157 4.906 -3.541 1.00 0.00 C ATOM 747 CG2 VAL A 384 74.501 6.696 -2.390 1.00 0.00 C ATOM 0 H VAL A 384 73.589 2.919 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 384 73.987 5.282 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 384 74.905 4.649 -2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 384 73.657 5.222 -4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 384 73.002 3.827 -3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.194 5.410 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 384 74.928 6.912 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 384 73.667 7.372 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.263 6.836 -1.623 1.00 0.00 H new ATOM 757 N LEU A 385 71.067 4.619 -1.362 1.00 0.00 N ATOM 758 CA LEU A 385 69.691 4.875 -1.307 1.00 0.00 C ATOM 759 C LEU A 385 69.207 4.731 0.134 1.00 0.00 C ATOM 760 O LEU A 385 68.458 5.566 0.645 1.00 0.00 O ATOM 761 CB LEU A 385 69.021 3.861 -2.242 1.00 0.00 C ATOM 762 CG LEU A 385 67.542 3.952 -2.464 1.00 0.00 C ATOM 763 CD1 LEU A 385 66.847 3.229 -1.342 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.147 5.410 -2.529 1.00 0.00 C ATOM 0 H LEU A 385 71.290 3.742 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 385 69.444 5.888 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.506 3.938 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.236 2.864 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 385 67.250 3.484 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 385 65.768 3.285 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.159 2.185 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.110 3.694 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.072 5.489 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.410 5.900 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 385 67.674 5.893 -3.352 1.00 0.00 H new ATOM 776 N LEU A 386 69.647 3.681 0.785 1.00 0.00 N ATOM 777 CA LEU A 386 69.252 3.433 2.156 1.00 0.00 C ATOM 778 C LEU A 386 69.816 4.527 3.034 1.00 0.00 C ATOM 779 O LEU A 386 69.226 4.886 4.032 1.00 0.00 O ATOM 780 CB LEU A 386 69.780 2.115 2.662 1.00 0.00 C ATOM 781 CG LEU A 386 68.808 1.182 3.421 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.577 0.130 4.188 1.00 0.00 C ATOM 783 CD2 LEU A 386 67.834 1.919 4.335 1.00 0.00 C ATOM 0 H LEU A 386 70.278 2.984 0.390 1.00 0.00 H new ATOM 0 HA LEU A 386 68.163 3.411 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.172 1.563 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.623 2.325 3.321 1.00 0.00 H new ATOM 0 HG LEU A 386 68.193 0.700 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.878 -0.518 4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.170 -0.465 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.238 0.614 4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.185 1.198 4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.392 2.482 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.228 2.605 3.743 1.00 0.00 H new ATOM 795 N ALA A 387 70.955 5.055 2.634 1.00 0.00 N ATOM 796 CA ALA A 387 71.605 6.140 3.339 1.00 0.00 C ATOM 797 C ALA A 387 70.702 7.365 3.354 1.00 0.00 C ATOM 798 O ALA A 387 70.646 8.095 4.338 1.00 0.00 O ATOM 799 CB ALA A 387 72.927 6.466 2.679 1.00 0.00 C ATOM 0 H ALA A 387 71.459 4.741 1.805 1.00 0.00 H new ATOM 0 HA ALA A 387 71.795 5.835 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.410 7.283 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.571 5.587 2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 387 72.754 6.763 1.645 1.00 0.00 H new ATOM 805 N GLU A 388 69.974 7.562 2.268 1.00 0.00 N ATOM 806 CA GLU A 388 69.030 8.646 2.152 1.00 0.00 C ATOM 807 C GLU A 388 67.866 8.349 3.072 1.00 0.00 C ATOM 808 O GLU A 388 67.335 9.247 3.740 1.00 0.00 O ATOM 809 CB GLU A 388 68.525 8.727 0.729 1.00 0.00 C ATOM 810 CG GLU A 388 69.605 8.704 -0.319 1.00 0.00 C ATOM 811 CD GLU A 388 69.100 8.985 -1.688 1.00 0.00 C ATOM 812 OE1 GLU A 388 68.260 8.255 -2.191 1.00 0.00 O ATOM 813 OE2 GLU A 388 69.553 9.970 -2.311 1.00 0.00 O ATOM 0 H GLU A 388 70.026 6.968 1.441 1.00 0.00 H new ATOM 0 HA GLU A 388 69.504 9.591 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 388 67.845 7.894 0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 388 67.945 9.642 0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.367 9.440 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 388 70.089 7.727 -0.311 1.00 0.00 H new ATOM 820 N HIS A 389 67.476 7.071 3.114 1.00 0.00 N ATOM 821 CA HIS A 389 66.439 6.628 4.001 1.00 0.00 C ATOM 822 C HIS A 389 66.814 6.889 5.411 1.00 0.00 C ATOM 823 O HIS A 389 66.054 7.441 6.118 1.00 0.00 O ATOM 824 CB HIS A 389 66.073 5.167 3.821 1.00 0.00 C ATOM 825 CG HIS A 389 65.015 4.744 4.758 1.00 0.00 C ATOM 826 ND1 HIS A 389 63.775 5.292 4.791 1.00 0.00 N ATOM 827 CD2 HIS A 389 65.103 3.951 5.807 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.161 4.863 5.850 1.00 0.00 C ATOM 829 NE2 HIS A 389 63.940 4.037 6.475 1.00 0.00 N ATOM 0 H HIS A 389 67.877 6.334 2.533 1.00 0.00 H new ATOM 0 HA HIS A 389 65.552 7.206 3.742 1.00 0.00 H new ATOM 0 HB2 HIS A 389 65.739 5.000 2.797 1.00 0.00 H new ATOM 0 HB3 HIS A 389 66.959 4.550 3.971 1.00 0.00 H new ATOM 0 HD1 HIS A 389 63.390 5.934 4.099 1.00 0.00 H new ATOM 0 HD2 HIS A 389 65.953 3.344 6.080 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.166 5.147 6.159 1.00 0.00 H new ATOM 838 N LYS A 390 67.965 6.462 5.803 1.00 0.00 N ATOM 839 CA LYS A 390 68.447 6.671 7.130 1.00 0.00 C ATOM 840 C LYS A 390 68.679 8.109 7.433 1.00 0.00 C ATOM 841 O LYS A 390 68.708 8.494 8.546 1.00 0.00 O ATOM 842 CB LYS A 390 69.619 5.810 7.419 1.00 0.00 C ATOM 843 CG LYS A 390 69.323 4.365 7.047 1.00 0.00 C ATOM 844 CD LYS A 390 68.056 3.827 7.738 1.00 0.00 C ATOM 845 CE LYS A 390 68.346 3.444 9.164 1.00 0.00 C ATOM 846 NZ LYS A 390 69.446 2.450 9.269 1.00 0.00 N ATOM 0 H LYS A 390 68.610 5.949 5.202 1.00 0.00 H new ATOM 0 HA LYS A 390 67.660 6.361 7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.485 6.165 6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.873 5.875 8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.204 4.288 5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.174 3.741 7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.273 4.585 7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 390 67.679 2.961 7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.611 4.337 9.731 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.444 3.034 9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.382 1.956 10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.365 1.760 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.362 2.938 9.203 1.00 0.00 H new ATOM 860 N ASN A 391 68.921 8.887 6.473 1.00 0.00 N ATOM 861 CA ASN A 391 69.021 10.287 6.763 1.00 0.00 C ATOM 862 C ASN A 391 67.654 10.895 7.137 1.00 0.00 C ATOM 863 O ASN A 391 67.600 11.876 7.868 1.00 0.00 O ATOM 864 CB ASN A 391 69.771 11.072 5.685 1.00 0.00 C ATOM 865 CG ASN A 391 71.262 11.173 5.931 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.733 12.098 6.597 1.00 0.00 O ATOM 867 ND2 ASN A 391 72.017 10.245 5.404 1.00 0.00 N ATOM 0 H ASN A 391 69.054 8.615 5.499 1.00 0.00 H new ATOM 0 HA ASN A 391 69.645 10.380 7.652 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.603 10.597 4.719 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.353 12.077 5.623 1.00 0.00 H new ATOM 0 HD21 ASN A 391 73.028 10.273 5.538 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.595 9.493 4.858 1.00 0.00 H new ATOM 874 N LYS A 392 66.565 10.332 6.623 1.00 0.00 N ATOM 875 CA LYS A 392 65.259 10.720 7.052 1.00 0.00 C ATOM 876 C LYS A 392 64.802 9.834 8.217 1.00 0.00 C ATOM 877 O LYS A 392 64.682 10.278 9.351 1.00 0.00 O ATOM 878 CB LYS A 392 64.255 10.626 5.911 1.00 0.00 C ATOM 879 CG LYS A 392 62.907 11.151 6.337 1.00 0.00 C ATOM 880 CD LYS A 392 61.924 11.287 5.209 1.00 0.00 C ATOM 881 CE LYS A 392 61.610 9.961 4.535 1.00 0.00 C ATOM 882 NZ LYS A 392 60.569 10.096 3.484 1.00 0.00 N ATOM 0 H LYS A 392 66.579 9.605 5.908 1.00 0.00 H new ATOM 0 HA LYS A 392 65.308 11.758 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.617 11.195 5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.161 9.589 5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.490 10.484 7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 392 63.040 12.124 6.810 1.00 0.00 H new ATOM 0 HD2 LYS A 392 61.000 11.723 5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 392 62.322 11.980 4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 392 62.520 9.556 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 392 61.275 9.245 5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 60.388 9.167 3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 59.691 10.457 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 60.898 10.759 2.753 1.00 0.00 H new ATOM 896 N THR A 393 64.637 8.566 7.914 1.00 0.00 N ATOM 897 CA THR A 393 64.124 7.574 8.800 1.00 0.00 C ATOM 898 C THR A 393 65.227 6.568 9.207 1.00 0.00 C ATOM 899 O THR A 393 65.234 5.380 8.864 1.00 0.00 O ATOM 900 CB THR A 393 62.987 6.854 8.148 1.00 0.00 C ATOM 901 OG1 THR A 393 62.057 7.822 7.612 1.00 0.00 O ATOM 902 CG2 THR A 393 62.280 5.956 9.139 1.00 0.00 C ATOM 0 H THR A 393 64.872 8.192 6.995 1.00 0.00 H new ATOM 0 HA THR A 393 63.769 8.070 9.704 1.00 0.00 H new ATOM 0 HB THR A 393 63.378 6.231 7.344 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.310 7.355 7.182 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.457 5.443 8.642 1.00 0.00 H new ATOM 0 HG22 THR A 393 62.983 5.220 9.530 1.00 0.00 H new ATOM 0 HG23 THR A 393 61.890 6.557 9.960 1.00 0.00 H new ATOM 910 N ARG A 394 66.191 7.149 9.746 1.00 0.00 N ATOM 911 CA ARG A 394 67.345 6.605 10.520 1.00 0.00 C ATOM 912 C ARG A 394 66.969 5.575 11.628 1.00 0.00 C ATOM 913 O ARG A 394 67.770 5.297 12.524 1.00 0.00 O ATOM 914 CB ARG A 394 68.095 7.796 11.150 1.00 0.00 C ATOM 915 CG ARG A 394 67.239 8.682 11.999 1.00 0.00 C ATOM 916 CD ARG A 394 68.045 9.680 12.792 1.00 0.00 C ATOM 917 NE ARG A 394 67.188 10.479 13.672 1.00 0.00 N ATOM 918 CZ ARG A 394 67.374 11.765 13.968 1.00 0.00 C ATOM 919 NH1 ARG A 394 68.323 12.464 13.354 1.00 0.00 N ATOM 920 NH2 ARG A 394 66.571 12.363 14.845 1.00 0.00 N ATOM 0 H ARG A 394 66.259 8.165 9.683 1.00 0.00 H new ATOM 0 HA ARG A 394 67.963 6.047 9.817 1.00 0.00 H new ATOM 0 HB2 ARG A 394 68.916 7.414 11.757 1.00 0.00 H new ATOM 0 HB3 ARG A 394 68.539 8.394 10.354 1.00 0.00 H new ATOM 0 HG2 ARG A 394 66.532 9.215 11.364 1.00 0.00 H new ATOM 0 HG3 ARG A 394 66.653 8.068 12.683 1.00 0.00 H new ATOM 0 HD2 ARG A 394 68.793 9.156 13.387 1.00 0.00 H new ATOM 0 HD3 ARG A 394 68.584 10.338 12.111 1.00 0.00 H new ATOM 0 HE ARG A 394 66.384 10.013 14.092 1.00 0.00 H new ATOM 0 HH11 ARG A 394 68.913 12.016 12.653 1.00 0.00 H new ATOM 0 HH12 ARG A 394 68.461 13.448 13.584 1.00 0.00 H new ATOM 0 HH21 ARG A 394 65.817 11.837 15.287 1.00 0.00 H new ATOM 0 HH22 ARG A 394 66.709 13.347 15.075 1.00 0.00 H new ATOM 934 N GLU A 395 65.794 5.022 11.555 1.00 0.00 N ATOM 935 CA GLU A 395 65.320 4.063 12.483 1.00 0.00 C ATOM 936 C GLU A 395 65.089 2.748 11.757 1.00 0.00 C ATOM 937 O GLU A 395 64.169 2.628 10.952 1.00 0.00 O ATOM 938 CB GLU A 395 64.030 4.563 13.085 1.00 0.00 C ATOM 939 CG GLU A 395 64.176 5.855 13.856 1.00 0.00 C ATOM 940 CD GLU A 395 62.866 6.370 14.351 1.00 0.00 C ATOM 941 OE1 GLU A 395 62.379 5.889 15.387 1.00 0.00 O ATOM 942 OE2 GLU A 395 62.292 7.274 13.714 1.00 0.00 O ATOM 0 H GLU A 395 65.123 5.240 10.818 1.00 0.00 H new ATOM 0 HA GLU A 395 66.049 3.908 13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 395 63.300 4.707 12.288 1.00 0.00 H new ATOM 0 HB3 GLU A 395 63.630 3.798 13.750 1.00 0.00 H new ATOM 0 HG2 GLU A 395 64.845 5.697 14.702 1.00 0.00 H new ATOM 0 HG3 GLU A 395 64.641 6.606 13.218 1.00 0.00 H new ATOM 949 N LYS A 396 65.946 1.807 12.001 1.00 0.00 N ATOM 950 CA LYS A 396 65.866 0.495 11.414 1.00 0.00 C ATOM 951 C LYS A 396 64.862 -0.307 12.213 1.00 0.00 C ATOM 952 O LYS A 396 64.771 -0.124 13.431 1.00 0.00 O ATOM 953 CB LYS A 396 67.264 -0.144 11.505 1.00 0.00 C ATOM 954 CG LYS A 396 67.446 -1.461 10.764 1.00 0.00 C ATOM 955 CD LYS A 396 67.280 -1.313 9.262 1.00 0.00 C ATOM 956 CE LYS A 396 67.555 -2.639 8.534 1.00 0.00 C ATOM 957 NZ LYS A 396 66.686 -3.753 9.001 1.00 0.00 N ATOM 0 H LYS A 396 66.742 1.927 12.628 1.00 0.00 H new ATOM 0 HA LYS A 396 65.552 0.530 10.371 1.00 0.00 H new ATOM 0 HB2 LYS A 396 67.993 0.569 11.121 1.00 0.00 H new ATOM 0 HB3 LYS A 396 67.500 -0.306 12.557 1.00 0.00 H new ATOM 0 HG2 LYS A 396 68.437 -1.861 10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 396 66.722 -2.186 11.136 1.00 0.00 H new ATOM 0 HD2 LYS A 396 66.268 -0.976 9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 396 67.961 -0.546 8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 396 67.408 -2.496 7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 396 68.599 -2.916 8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 66.821 -4.580 8.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 66.938 -4.004 9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 65.690 -3.455 8.966 1.00 0.00 H new ATOM 971 N GLU A 397 64.073 -1.146 11.553 1.00 0.00 N ATOM 972 CA GLU A 397 63.170 -2.041 12.257 1.00 0.00 C ATOM 973 C GLU A 397 64.026 -3.197 12.758 1.00 0.00 C ATOM 974 O GLU A 397 64.036 -4.294 12.172 1.00 0.00 O ATOM 975 CB GLU A 397 62.079 -2.566 11.318 1.00 0.00 C ATOM 976 CG GLU A 397 61.260 -1.502 10.601 1.00 0.00 C ATOM 977 CD GLU A 397 60.478 -0.611 11.529 1.00 0.00 C ATOM 978 OE1 GLU A 397 59.384 -1.009 11.985 1.00 0.00 O ATOM 979 OE2 GLU A 397 60.889 0.526 11.765 1.00 0.00 O ATOM 0 H GLU A 397 64.042 -1.224 10.536 1.00 0.00 H new ATOM 0 HA GLU A 397 62.668 -1.524 13.075 1.00 0.00 H new ATOM 0 HB2 GLU A 397 62.546 -3.205 10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 397 61.400 -3.194 11.895 1.00 0.00 H new ATOM 0 HG2 GLU A 397 61.928 -0.887 9.999 1.00 0.00 H new ATOM 0 HG3 GLU A 397 60.570 -1.990 9.913 1.00 0.00 H new TER 986 GLU A 397 HETATM 987 ZN ZN A 500 60.756 -5.389 -0.227 1.00 0.00 ZN