USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=13 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 363 THR OG1 : rot -38:sc= 1.78 USER MOD Set 1.2: A 396 LYS NZ :NH3+ 174:sc= 1.25 (180deg=-0.239) USER MOD Set 2.1: A 346 HIS : no HD1:sc= 0.0472 K(o=1.2,f=-4!) USER MOD Set 2.2: A 359 THR OG1 : rot 91:sc= 1.13 USER MOD Single : A 354 THR OG1 : rot -140:sc= -1.26 USER MOD Single : A 355 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0085) USER MOD Single : A 356 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot -160:sc= -0.0245 USER MOD Single : A 368 SER OG : rot 180:sc= -1.74! USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN :FLIP amide:sc= -0.0014 F(o=-0.73,f=-0.0014) USER MOD Single : A 376 GLN : amide:sc= 0.348 K(o=0.35,f=-0.36) USER MOD Single : A 380 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 HIS :FLIP no HD1:sc= -4.64! C(o=-5.4!,f=-4.6!) USER MOD Single : A 390 LYS NZ :NH3+ -153:sc= -0.221 (180deg=-0.853) USER MOD Single : A 391 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0033) 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 ----------------------------------------------------------------- ATOM 1 N ARG A 339 51.561 1.008 -3.743 1.00 0.00 N ATOM 2 CA ARG A 339 51.107 2.173 -4.368 1.00 0.00 C ATOM 3 C ARG A 339 51.517 2.006 -5.750 1.00 0.00 C ATOM 4 O ARG A 339 51.775 0.863 -6.189 1.00 0.00 O ATOM 5 CB ARG A 339 51.816 3.370 -3.739 1.00 0.00 C ATOM 6 CG ARG A 339 51.842 3.356 -2.211 1.00 0.00 C ATOM 7 CD ARG A 339 52.437 4.632 -1.626 1.00 0.00 C ATOM 8 NE ARG A 339 53.706 5.036 -2.280 1.00 0.00 N ATOM 9 CZ ARG A 339 54.369 6.193 -2.040 1.00 0.00 C ATOM 10 NH1 ARG A 339 53.969 7.010 -1.065 1.00 0.00 N ATOM 11 NH2 ARG A 339 55.430 6.526 -2.777 1.00 0.00 N ATOM 0 HA ARG A 339 50.034 2.338 -4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 339 52.841 3.405 -4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 339 51.326 4.284 -4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 339 50.827 3.226 -1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 339 52.421 2.498 -1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 339 51.712 5.441 -1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 339 52.614 4.488 -0.560 1.00 0.00 H new ATOM 0 HE ARG A 339 54.110 4.394 -2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 339 53.160 6.765 -0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 339 54.473 7.880 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 339 55.745 5.909 -3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 339 55.926 7.398 -2.592 1.00 0.00 H new ATOM 25 N GLU A 340 51.582 3.042 -6.468 1.00 0.00 N ATOM 26 CA GLU A 340 52.152 2.911 -7.709 1.00 0.00 C ATOM 27 C GLU A 340 53.675 2.857 -7.426 1.00 0.00 C ATOM 28 O GLU A 340 54.304 3.847 -7.095 1.00 0.00 O ATOM 29 CB GLU A 340 51.670 4.024 -8.654 1.00 0.00 C ATOM 30 CG GLU A 340 52.460 5.299 -8.640 1.00 0.00 C ATOM 31 CD GLU A 340 51.605 6.519 -8.885 1.00 0.00 C ATOM 32 OE1 GLU A 340 51.131 6.712 -10.016 1.00 0.00 O ATOM 33 OE2 GLU A 340 51.360 7.293 -7.930 1.00 0.00 O ATOM 0 H GLU A 340 51.250 3.973 -6.215 1.00 0.00 H new ATOM 0 HA GLU A 340 51.861 2.011 -8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 340 51.671 3.633 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 340 50.636 4.260 -8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 340 52.962 5.400 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 340 53.238 5.247 -9.401 1.00 0.00 H new ATOM 40 N PHE A 341 54.135 1.625 -7.303 1.00 0.00 N ATOM 41 CA PHE A 341 55.545 1.274 -7.082 1.00 0.00 C ATOM 42 C PHE A 341 56.506 2.268 -7.693 1.00 0.00 C ATOM 43 O PHE A 341 56.460 2.593 -8.891 1.00 0.00 O ATOM 44 CB PHE A 341 55.853 -0.085 -7.717 1.00 0.00 C ATOM 45 CG PHE A 341 57.310 -0.386 -7.702 1.00 0.00 C ATOM 46 CD1 PHE A 341 57.978 -0.510 -6.513 1.00 0.00 C ATOM 47 CD2 PHE A 341 58.017 -0.503 -8.878 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.300 -0.744 -6.487 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.354 -0.746 -8.862 1.00 0.00 C ATOM 50 CZ PHE A 341 60.001 -0.864 -7.667 1.00 0.00 C ATOM 0 H PHE A 341 53.526 0.808 -7.354 1.00 0.00 H new ATOM 0 HA PHE A 341 55.682 1.264 -6.001 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.315 -0.867 -7.181 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.490 -0.096 -8.745 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.435 -0.418 -5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.504 -0.401 -9.823 1.00 0.00 H new ATOM 0 HE1 PHE A 341 59.814 -0.838 -5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 341 59.900 -0.845 -9.788 1.00 0.00 H new ATOM 0 HZ PHE A 341 61.064 -1.052 -7.646 1.00 0.00 H new ATOM 60 N ASP A 342 57.387 2.698 -6.850 1.00 0.00 N ATOM 61 CA ASP A 342 58.365 3.688 -7.183 1.00 0.00 C ATOM 62 C ASP A 342 59.728 3.068 -7.037 1.00 0.00 C ATOM 63 O ASP A 342 60.204 2.919 -5.938 1.00 0.00 O ATOM 64 CB ASP A 342 58.299 4.919 -6.247 1.00 0.00 C ATOM 65 CG ASP A 342 56.963 5.615 -6.174 1.00 0.00 C ATOM 66 OD1 ASP A 342 56.628 6.394 -7.110 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.249 5.475 -5.145 1.00 0.00 O ATOM 0 H ASP A 342 57.450 2.365 -5.888 1.00 0.00 H new ATOM 0 HA ASP A 342 58.169 4.024 -8.201 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.579 4.603 -5.242 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.047 5.641 -6.574 1.00 0.00 H new ATOM 72 N PRO A 343 60.366 2.649 -8.112 1.00 0.00 N ATOM 73 CA PRO A 343 61.676 2.004 -8.022 1.00 0.00 C ATOM 74 C PRO A 343 62.790 2.911 -7.517 1.00 0.00 C ATOM 75 O PRO A 343 63.715 2.455 -6.858 1.00 0.00 O ATOM 76 CB PRO A 343 61.967 1.559 -9.438 1.00 0.00 C ATOM 77 CG PRO A 343 61.102 2.406 -10.302 1.00 0.00 C ATOM 78 CD PRO A 343 59.870 2.697 -9.499 1.00 0.00 C ATOM 0 HA PRO A 343 61.645 1.193 -7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 343 63.020 1.694 -9.684 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.741 0.501 -9.572 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.613 3.328 -10.580 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.851 1.889 -11.228 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.448 3.672 -9.744 1.00 0.00 H new ATOM 0 HD3 PRO A 343 59.088 1.958 -9.675 1.00 0.00 H new ATOM 86 N ASP A 344 62.677 4.182 -7.789 1.00 0.00 N ATOM 87 CA ASP A 344 63.724 5.139 -7.440 1.00 0.00 C ATOM 88 C ASP A 344 63.698 5.453 -5.972 1.00 0.00 C ATOM 89 O ASP A 344 64.695 5.923 -5.406 1.00 0.00 O ATOM 90 CB ASP A 344 63.545 6.442 -8.226 1.00 0.00 C ATOM 91 CG ASP A 344 63.547 6.228 -9.712 1.00 0.00 C ATOM 92 OD1 ASP A 344 64.640 6.099 -10.307 1.00 0.00 O ATOM 93 OD2 ASP A 344 62.459 6.152 -10.317 1.00 0.00 O ATOM 0 H ASP A 344 61.869 4.594 -8.255 1.00 0.00 H new ATOM 0 HA ASP A 344 64.681 4.684 -7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.607 6.913 -7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 344 64.345 7.134 -7.962 1.00 0.00 H new ATOM 98 N ILE A 345 62.579 5.155 -5.350 1.00 0.00 N ATOM 99 CA ILE A 345 62.350 5.561 -3.962 1.00 0.00 C ATOM 100 C ILE A 345 62.019 4.374 -3.069 1.00 0.00 C ATOM 101 O ILE A 345 62.088 4.473 -1.842 1.00 0.00 O ATOM 102 CB ILE A 345 61.205 6.651 -3.868 1.00 0.00 C ATOM 103 CG1 ILE A 345 59.894 6.095 -3.284 1.00 0.00 C ATOM 104 CG2 ILE A 345 60.954 7.317 -5.217 1.00 0.00 C ATOM 105 CD1 ILE A 345 58.749 7.085 -3.235 1.00 0.00 C ATOM 0 H ILE A 345 61.810 4.635 -5.773 1.00 0.00 H new ATOM 0 HA ILE A 345 63.281 5.999 -3.603 1.00 0.00 H new ATOM 0 HB ILE A 345 61.567 7.407 -3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 345 59.586 5.234 -3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 345 60.087 5.734 -2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.162 8.059 -5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 345 61.867 7.805 -5.557 1.00 0.00 H new ATOM 0 HG23 ILE A 345 60.653 6.563 -5.945 1.00 0.00 H new ATOM 0 HD11 ILE A 345 57.869 6.603 -2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 345 59.031 7.937 -2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 345 58.522 7.429 -4.244 1.00 0.00 H new ATOM 117 N HIS A 346 61.654 3.278 -3.672 1.00 0.00 N ATOM 118 CA HIS A 346 61.243 2.122 -2.938 1.00 0.00 C ATOM 119 C HIS A 346 62.066 0.876 -3.177 1.00 0.00 C ATOM 120 O HIS A 346 62.996 0.849 -3.969 1.00 0.00 O ATOM 121 CB HIS A 346 59.744 1.858 -3.084 1.00 0.00 C ATOM 122 CG HIS A 346 58.928 2.754 -2.219 1.00 0.00 C ATOM 123 ND1 HIS A 346 57.894 3.494 -2.707 1.00 0.00 N ATOM 124 CD2 HIS A 346 59.037 2.967 -0.895 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.398 4.144 -1.658 1.00 0.00 C ATOM 126 NE2 HIS A 346 58.062 3.852 -0.546 1.00 0.00 N ATOM 0 H HIS A 346 61.634 3.164 -4.685 1.00 0.00 H new ATOM 0 HA HIS A 346 61.445 2.377 -1.898 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.452 1.996 -4.125 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.533 0.819 -2.829 1.00 0.00 H new ATOM 0 HD2 HIS A 346 59.763 2.519 -0.232 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.560 4.824 -1.705 1.00 0.00 H new ATOM 0 HE2 HIS A 346 57.878 4.219 0.388 1.00 0.00 H new ATOM 134 N CYS A 347 61.688 -0.152 -2.442 1.00 0.00 N ATOM 135 CA CYS A 347 62.382 -1.433 -2.363 1.00 0.00 C ATOM 136 C CYS A 347 62.572 -2.125 -3.726 1.00 0.00 C ATOM 137 O CYS A 347 63.649 -2.615 -3.997 1.00 0.00 O ATOM 138 CB CYS A 347 61.623 -2.321 -1.336 1.00 0.00 C ATOM 139 SG CYS A 347 62.271 -4.012 -0.963 1.00 0.00 S ATOM 0 H CYS A 347 60.853 -0.121 -1.857 1.00 0.00 H new ATOM 0 HA CYS A 347 63.403 -1.260 -2.024 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.577 -1.771 -0.396 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.598 -2.432 -1.691 1.00 0.00 H new ATOM 144 N GLY A 348 61.523 -2.258 -4.507 1.00 0.00 N ATOM 145 CA GLY A 348 61.675 -2.856 -5.836 1.00 0.00 C ATOM 146 C GLY A 348 61.896 -4.343 -5.838 1.00 0.00 C ATOM 147 O GLY A 348 61.998 -4.947 -6.893 1.00 0.00 O ATOM 0 H GLY A 348 60.575 -1.972 -4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 348 60.783 -2.635 -6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.515 -2.378 -6.340 1.00 0.00 H new ATOM 151 N VAL A 349 61.898 -4.941 -4.666 1.00 0.00 N ATOM 152 CA VAL A 349 62.159 -6.363 -4.573 1.00 0.00 C ATOM 153 C VAL A 349 60.881 -6.996 -4.719 1.00 0.00 C ATOM 154 O VAL A 349 60.007 -6.823 -3.862 1.00 0.00 O ATOM 155 CB VAL A 349 62.798 -6.829 -3.229 1.00 0.00 C ATOM 156 CG1 VAL A 349 63.118 -8.320 -3.260 1.00 0.00 C ATOM 157 CG2 VAL A 349 64.038 -6.051 -2.893 1.00 0.00 C ATOM 0 H VAL A 349 61.725 -4.474 -3.776 1.00 0.00 H new ATOM 0 HA VAL A 349 62.888 -6.629 -5.339 1.00 0.00 H new ATOM 0 HB VAL A 349 62.059 -6.639 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.562 -8.617 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.201 -8.886 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 349 63.820 -8.525 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.448 -6.410 -1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.776 -6.184 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.790 -4.993 -2.802 1.00 0.00 H new ATOM 167 N ILE A 350 60.735 -7.638 -5.792 1.00 0.00 N ATOM 168 CA ILE A 350 59.555 -8.280 -6.090 1.00 0.00 C ATOM 169 C ILE A 350 59.331 -9.419 -5.133 1.00 0.00 C ATOM 170 O ILE A 350 60.209 -10.257 -4.903 1.00 0.00 O ATOM 171 CB ILE A 350 59.503 -8.678 -7.559 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.459 -7.372 -8.379 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.335 -9.592 -7.829 1.00 0.00 C ATOM 174 CD1 ILE A 350 59.056 -7.503 -9.816 1.00 0.00 C ATOM 0 H ILE A 350 61.459 -7.731 -6.505 1.00 0.00 H new ATOM 0 HA ILE A 350 58.718 -7.595 -5.951 1.00 0.00 H new ATOM 0 HB ILE A 350 60.383 -9.252 -7.850 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.767 -6.685 -7.891 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.446 -6.911 -8.341 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.320 -9.862 -8.885 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.432 -10.494 -7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.407 -9.082 -7.572 1.00 0.00 H new ATOM 0 HD11 ILE A 350 59.062 -6.520 -10.287 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.758 -8.157 -10.333 1.00 0.00 H new ATOM 0 HD13 ILE A 350 58.054 -7.927 -9.876 1.00 0.00 H new ATOM 186 N ASP A 351 58.189 -9.384 -4.540 1.00 0.00 N ATOM 187 CA ASP A 351 57.820 -10.277 -3.486 1.00 0.00 C ATOM 188 C ASP A 351 57.565 -11.636 -4.045 1.00 0.00 C ATOM 189 O ASP A 351 56.867 -11.767 -5.000 1.00 0.00 O ATOM 190 CB ASP A 351 56.568 -9.751 -2.850 1.00 0.00 C ATOM 191 CG ASP A 351 56.127 -10.519 -1.673 1.00 0.00 C ATOM 192 OD1 ASP A 351 56.554 -10.214 -0.555 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.308 -11.397 -1.837 1.00 0.00 O ATOM 0 H ASP A 351 57.459 -8.713 -4.780 1.00 0.00 H new ATOM 0 HA ASP A 351 58.621 -10.346 -2.750 1.00 0.00 H new ATOM 0 HB2 ASP A 351 56.730 -8.714 -2.555 1.00 0.00 H new ATOM 0 HB3 ASP A 351 55.769 -9.750 -3.591 1.00 0.00 H new ATOM 198 N LEU A 352 58.137 -12.630 -3.468 1.00 0.00 N ATOM 199 CA LEU A 352 57.989 -13.978 -3.951 1.00 0.00 C ATOM 200 C LEU A 352 56.682 -14.654 -3.556 1.00 0.00 C ATOM 201 O LEU A 352 56.431 -15.796 -3.943 1.00 0.00 O ATOM 202 CB LEU A 352 59.209 -14.773 -3.573 1.00 0.00 C ATOM 203 CG LEU A 352 60.320 -14.881 -4.627 1.00 0.00 C ATOM 204 CD1 LEU A 352 60.045 -16.040 -5.567 1.00 0.00 C ATOM 205 CD2 LEU A 352 60.458 -13.602 -5.457 1.00 0.00 C ATOM 0 H LEU A 352 58.728 -12.543 -2.641 1.00 0.00 H new ATOM 0 HA LEU A 352 57.917 -13.932 -5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 352 59.637 -14.331 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 352 58.889 -15.782 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 352 61.251 -15.043 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 352 60.841 -16.104 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 352 60.004 -16.969 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 352 59.092 -15.881 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 352 61.256 -13.727 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 352 59.520 -13.401 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.696 -12.766 -4.800 1.00 0.00 H new ATOM 217 N ASP A 353 55.861 -13.978 -2.795 1.00 0.00 N ATOM 218 CA ASP A 353 54.539 -14.500 -2.482 1.00 0.00 C ATOM 219 C ASP A 353 53.589 -13.902 -3.434 1.00 0.00 C ATOM 220 O ASP A 353 52.894 -14.598 -4.185 1.00 0.00 O ATOM 221 CB ASP A 353 54.091 -14.078 -1.100 1.00 0.00 C ATOM 222 CG ASP A 353 52.774 -14.688 -0.663 1.00 0.00 C ATOM 223 OD1 ASP A 353 52.774 -15.819 -0.141 1.00 0.00 O ATOM 224 OD2 ASP A 353 51.716 -14.030 -0.791 1.00 0.00 O ATOM 0 H ASP A 353 56.074 -13.071 -2.379 1.00 0.00 H new ATOM 0 HA ASP A 353 54.574 -15.588 -2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.862 -14.352 -0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 353 54.002 -12.992 -1.074 1.00 0.00 H new ATOM 229 N THR A 354 53.600 -12.594 -3.438 1.00 0.00 N ATOM 230 CA THR A 354 52.656 -11.865 -4.169 1.00 0.00 C ATOM 231 C THR A 354 53.074 -11.646 -5.629 1.00 0.00 C ATOM 232 O THR A 354 52.239 -11.598 -6.530 1.00 0.00 O ATOM 233 CB THR A 354 52.281 -10.541 -3.469 1.00 0.00 C ATOM 234 OG1 THR A 354 53.471 -9.844 -3.080 1.00 0.00 O ATOM 235 CG2 THR A 354 51.446 -10.795 -2.237 1.00 0.00 C ATOM 0 H THR A 354 54.274 -12.025 -2.926 1.00 0.00 H new ATOM 0 HA THR A 354 51.755 -12.478 -4.200 1.00 0.00 H new ATOM 0 HB THR A 354 51.703 -9.942 -4.173 1.00 0.00 H new ATOM 0 HG1 THR A 354 53.340 -9.442 -2.196 1.00 0.00 H new ATOM 0 HG21 THR A 354 51.197 -9.845 -1.764 1.00 0.00 H new ATOM 0 HG22 THR A 354 50.529 -11.312 -2.519 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.009 -11.412 -1.537 1.00 0.00 H new ATOM 243 N LYS A 355 54.374 -11.525 -5.836 1.00 0.00 N ATOM 244 CA LYS A 355 54.987 -11.312 -7.154 1.00 0.00 C ATOM 245 C LYS A 355 54.624 -10.008 -7.749 1.00 0.00 C ATOM 246 O LYS A 355 54.155 -9.876 -8.882 1.00 0.00 O ATOM 247 CB LYS A 355 54.882 -12.488 -8.105 1.00 0.00 C ATOM 248 CG LYS A 355 55.738 -13.681 -7.682 1.00 0.00 C ATOM 249 CD LYS A 355 57.251 -13.380 -7.649 1.00 0.00 C ATOM 250 CE LYS A 355 57.833 -12.998 -9.007 1.00 0.00 C ATOM 251 NZ LYS A 355 57.752 -14.094 -9.987 1.00 0.00 N ATOM 0 H LYS A 355 55.057 -11.572 -5.080 1.00 0.00 H new ATOM 0 HA LYS A 355 56.058 -11.255 -6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 355 53.840 -12.802 -8.171 1.00 0.00 H new ATOM 0 HB3 LYS A 355 55.183 -12.168 -9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 355 55.421 -14.012 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 355 55.556 -14.508 -8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 355 57.435 -12.569 -6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 355 57.778 -14.256 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 355 57.301 -12.129 -9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 355 58.875 -12.704 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 58.206 -13.800 -10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 58.238 -14.933 -9.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 56.754 -14.325 -10.168 1.00 0.00 H new ATOM 265 N LYS A 356 54.829 -9.065 -6.937 1.00 0.00 N ATOM 266 CA LYS A 356 54.645 -7.695 -7.208 1.00 0.00 C ATOM 267 C LYS A 356 55.835 -7.003 -6.611 1.00 0.00 C ATOM 268 O LYS A 356 56.537 -7.617 -5.794 1.00 0.00 O ATOM 269 CB LYS A 356 53.361 -7.247 -6.541 1.00 0.00 C ATOM 270 CG LYS A 356 53.400 -7.215 -5.029 1.00 0.00 C ATOM 271 CD LYS A 356 52.065 -6.800 -4.519 1.00 0.00 C ATOM 272 CE LYS A 356 52.050 -6.573 -3.019 1.00 0.00 C ATOM 273 NZ LYS A 356 50.705 -6.166 -2.568 1.00 0.00 N ATOM 0 H LYS A 356 55.156 -9.234 -5.986 1.00 0.00 H new ATOM 0 HA LYS A 356 54.567 -7.472 -8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.110 -6.250 -6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.556 -7.912 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.663 -8.198 -4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 356 54.167 -6.520 -4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 356 51.758 -5.884 -5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.331 -7.565 -4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 356 52.351 -7.486 -2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 356 52.776 -5.804 -2.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 50.715 -6.015 -1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 50.431 -5.283 -3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 50.020 -6.912 -2.802 1.00 0.00 H new ATOM 287 N PRO A 357 56.118 -5.764 -6.975 1.00 0.00 N ATOM 288 CA PRO A 357 57.234 -5.078 -6.436 1.00 0.00 C ATOM 289 C PRO A 357 57.005 -4.642 -5.042 1.00 0.00 C ATOM 290 O PRO A 357 56.006 -4.972 -4.407 1.00 0.00 O ATOM 291 CB PRO A 357 57.468 -3.913 -7.320 1.00 0.00 C ATOM 292 CG PRO A 357 56.259 -3.744 -8.163 1.00 0.00 C ATOM 293 CD PRO A 357 55.344 -4.927 -7.885 1.00 0.00 C ATOM 0 HA PRO A 357 58.101 -5.738 -6.398 1.00 0.00 H new ATOM 0 HB2 PRO A 357 57.653 -3.015 -6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.349 -4.074 -7.941 1.00 0.00 H new ATOM 0 HG2 PRO A 357 55.756 -2.806 -7.929 1.00 0.00 H new ATOM 0 HG3 PRO A 357 56.529 -3.707 -9.218 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.405 -4.608 -7.433 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.092 -5.461 -8.801 1.00 0.00 H new ATOM 301 N CYS A 358 57.891 -3.866 -4.546 1.00 0.00 N ATOM 302 CA CYS A 358 57.842 -3.655 -3.233 1.00 0.00 C ATOM 303 C CYS A 358 58.009 -2.246 -2.901 1.00 0.00 C ATOM 304 O CYS A 358 59.122 -1.739 -2.816 1.00 0.00 O ATOM 305 CB CYS A 358 58.848 -4.471 -2.616 1.00 0.00 C ATOM 306 SG CYS A 358 58.608 -4.650 -0.889 1.00 0.00 S ATOM 0 H CYS A 358 58.634 -3.391 -5.058 1.00 0.00 H new ATOM 0 HA CYS A 358 56.858 -3.932 -2.854 1.00 0.00 H new ATOM 0 HB2 CYS A 358 58.848 -5.456 -3.083 1.00 0.00 H new ATOM 0 HB3 CYS A 358 59.829 -4.032 -2.799 1.00 0.00 H new ATOM 311 N THR A 359 56.937 -1.621 -2.760 1.00 0.00 N ATOM 312 CA THR A 359 56.907 -0.250 -2.378 1.00 0.00 C ATOM 313 C THR A 359 56.490 -0.122 -0.908 1.00 0.00 C ATOM 314 O THR A 359 55.410 0.331 -0.561 1.00 0.00 O ATOM 315 CB THR A 359 56.068 0.617 -3.411 1.00 0.00 C ATOM 316 OG1 THR A 359 55.727 1.923 -2.961 1.00 0.00 O ATOM 317 CG2 THR A 359 54.829 -0.106 -3.833 1.00 0.00 C ATOM 0 H THR A 359 56.016 -2.035 -2.905 1.00 0.00 H new ATOM 0 HA THR A 359 57.908 0.179 -2.429 1.00 0.00 H new ATOM 0 HB THR A 359 56.738 0.755 -4.260 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.424 2.555 -3.234 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.272 0.509 -4.540 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.102 -1.049 -4.308 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.209 -0.306 -2.959 1.00 0.00 H new ATOM 325 N ARG A 360 57.341 -0.695 -0.068 1.00 0.00 N ATOM 326 CA ARG A 360 57.230 -0.552 1.353 1.00 0.00 C ATOM 327 C ARG A 360 58.073 0.594 1.802 1.00 0.00 C ATOM 328 O ARG A 360 57.590 1.687 2.062 1.00 0.00 O ATOM 329 CB ARG A 360 57.695 -1.808 2.058 1.00 0.00 C ATOM 330 CG ARG A 360 56.700 -2.908 2.018 1.00 0.00 C ATOM 331 CD ARG A 360 56.772 -3.672 3.284 1.00 0.00 C ATOM 332 NE ARG A 360 55.898 -4.823 3.291 1.00 0.00 N ATOM 333 CZ ARG A 360 55.182 -5.231 4.345 1.00 0.00 C ATOM 334 NH1 ARG A 360 55.089 -4.476 5.450 1.00 0.00 N ATOM 335 NH2 ARG A 360 54.545 -6.377 4.287 1.00 0.00 N ATOM 0 H ARG A 360 58.127 -1.272 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 360 56.184 -0.374 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.623 -2.150 1.600 1.00 0.00 H new ATOM 0 HB3 ARG A 360 57.921 -1.570 3.097 1.00 0.00 H new ATOM 0 HG2 ARG A 360 55.697 -2.503 1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 360 56.899 -3.564 1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 360 57.799 -3.999 3.448 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.510 -3.017 4.115 1.00 0.00 H new ATOM 0 HE ARG A 360 55.821 -5.364 2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 360 55.568 -3.577 5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 360 54.539 -4.801 6.245 1.00 0.00 H new ATOM 0 HH21 ARG A 360 54.598 -6.948 3.444 1.00 0.00 H new ATOM 0 HH22 ARG A 360 53.997 -6.697 5.085 1.00 0.00 H new ATOM 349 N SER A 361 59.342 0.341 1.808 1.00 0.00 N ATOM 350 CA SER A 361 60.326 1.256 2.221 1.00 0.00 C ATOM 351 C SER A 361 61.638 0.730 1.743 1.00 0.00 C ATOM 352 O SER A 361 61.704 -0.369 1.113 1.00 0.00 O ATOM 353 CB SER A 361 60.349 1.342 3.741 1.00 0.00 C ATOM 354 OG SER A 361 60.490 0.042 4.295 1.00 0.00 O ATOM 0 H SER A 361 59.726 -0.555 1.509 1.00 0.00 H new ATOM 0 HA SER A 361 60.122 2.248 1.818 1.00 0.00 H new ATOM 0 HB2 SER A 361 61.173 1.977 4.066 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.430 1.803 4.102 1.00 0.00 H new ATOM 0 HG SER A 361 60.506 0.103 5.273 1.00 0.00 H new ATOM 360 N LEU A 362 62.656 1.442 2.068 1.00 0.00 N ATOM 361 CA LEU A 362 64.000 1.124 1.728 1.00 0.00 C ATOM 362 C LEU A 362 64.630 0.271 2.798 1.00 0.00 C ATOM 363 O LEU A 362 65.733 -0.180 2.684 1.00 0.00 O ATOM 364 CB LEU A 362 64.713 2.421 1.546 1.00 0.00 C ATOM 365 CG LEU A 362 64.137 3.256 0.419 1.00 0.00 C ATOM 366 CD1 LEU A 362 64.809 4.597 0.303 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.180 2.458 -0.872 1.00 0.00 C ATOM 0 H LEU A 362 62.573 2.305 2.605 1.00 0.00 H new ATOM 0 HA LEU A 362 64.054 0.539 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.665 2.990 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.767 2.226 1.346 1.00 0.00 H new ATOM 0 HG LEU A 362 63.094 3.481 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 362 64.362 5.158 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 362 64.680 5.150 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 362 65.872 4.456 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 362 63.766 3.056 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 362 65.212 2.196 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 362 63.592 1.547 -0.757 1.00 0.00 H new ATOM 379 N THR A 363 63.885 0.043 3.801 1.00 0.00 N ATOM 380 CA THR A 363 64.284 -0.797 4.895 1.00 0.00 C ATOM 381 C THR A 363 63.174 -1.817 5.102 1.00 0.00 C ATOM 382 O THR A 363 62.936 -2.313 6.204 1.00 0.00 O ATOM 383 CB THR A 363 64.562 0.057 6.155 1.00 0.00 C ATOM 384 OG1 THR A 363 64.871 -0.744 7.310 1.00 0.00 O ATOM 385 CG2 THR A 363 63.411 0.982 6.430 1.00 0.00 C ATOM 0 H THR A 363 62.950 0.438 3.905 1.00 0.00 H new ATOM 0 HA THR A 363 65.215 -1.322 4.683 1.00 0.00 H new ATOM 0 HB THR A 363 65.449 0.655 5.947 1.00 0.00 H new ATOM 0 HG1 THR A 363 64.308 -1.546 7.312 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.625 1.574 7.320 1.00 0.00 H new ATOM 0 HG22 THR A 363 63.266 1.646 5.578 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.505 0.398 6.592 1.00 0.00 H new ATOM 393 N CYS A 364 62.542 -2.133 3.959 1.00 0.00 N ATOM 394 CA CYS A 364 61.479 -3.108 3.815 1.00 0.00 C ATOM 395 C CYS A 364 61.666 -4.315 4.746 1.00 0.00 C ATOM 396 O CYS A 364 62.677 -5.011 4.665 1.00 0.00 O ATOM 397 CB CYS A 364 61.518 -3.599 2.413 1.00 0.00 C ATOM 398 SG CYS A 364 60.486 -5.021 2.121 1.00 0.00 S ATOM 0 H CYS A 364 62.780 -1.686 3.074 1.00 0.00 H new ATOM 0 HA CYS A 364 60.533 -2.631 4.071 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.208 -2.794 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.547 -3.849 2.154 1.00 0.00 H new ATOM 403 N LYS A 365 60.658 -4.587 5.531 1.00 0.00 N ATOM 404 CA LYS A 365 60.670 -5.568 6.589 1.00 0.00 C ATOM 405 C LYS A 365 60.484 -6.969 6.046 1.00 0.00 C ATOM 406 O LYS A 365 60.803 -7.960 6.696 1.00 0.00 O ATOM 407 CB LYS A 365 59.509 -5.204 7.495 1.00 0.00 C ATOM 408 CG LYS A 365 59.441 -5.917 8.811 1.00 0.00 C ATOM 409 CD LYS A 365 58.185 -5.523 9.582 1.00 0.00 C ATOM 410 CE LYS A 365 58.064 -4.008 9.724 1.00 0.00 C ATOM 411 NZ LYS A 365 56.905 -3.624 10.542 1.00 0.00 N ATOM 0 H LYS A 365 59.761 -4.108 5.448 1.00 0.00 H new ATOM 0 HA LYS A 365 61.624 -5.562 7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 365 59.550 -4.132 7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 365 58.582 -5.395 6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 365 59.448 -6.994 8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 365 60.325 -5.680 9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 365 57.306 -5.912 9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 365 58.206 -5.981 10.571 1.00 0.00 H new ATOM 0 HE2 LYS A 365 58.974 -3.612 10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 365 57.976 -3.557 8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 56.859 -2.588 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 56.034 -3.979 10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 57.001 -4.033 11.493 1.00 0.00 H new ATOM 425 N THR A 366 60.036 -7.030 4.846 1.00 0.00 N ATOM 426 CA THR A 366 59.675 -8.254 4.221 1.00 0.00 C ATOM 427 C THR A 366 60.895 -8.929 3.634 1.00 0.00 C ATOM 428 O THR A 366 60.992 -10.149 3.536 1.00 0.00 O ATOM 429 CB THR A 366 58.783 -7.902 3.052 1.00 0.00 C ATOM 430 OG1 THR A 366 57.714 -7.075 3.477 1.00 0.00 O ATOM 431 CG2 THR A 366 58.296 -9.124 2.299 1.00 0.00 C ATOM 0 H THR A 366 59.906 -6.210 4.254 1.00 0.00 H new ATOM 0 HA THR A 366 59.199 -8.909 4.950 1.00 0.00 H new ATOM 0 HB THR A 366 59.384 -7.338 2.339 1.00 0.00 H new ATOM 0 HG1 THR A 366 56.990 -7.112 2.818 1.00 0.00 H new ATOM 0 HG21 THR A 366 57.660 -8.811 1.471 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.151 -9.677 1.911 1.00 0.00 H new ATOM 0 HG23 THR A 366 57.726 -9.763 2.973 1.00 0.00 H new ATOM 439 N HIS A 367 61.828 -8.115 3.281 1.00 0.00 N ATOM 440 CA HIS A 367 62.910 -8.526 2.464 1.00 0.00 C ATOM 441 C HIS A 367 64.179 -8.180 3.133 1.00 0.00 C ATOM 442 O HIS A 367 64.289 -7.092 3.667 1.00 0.00 O ATOM 443 CB HIS A 367 62.798 -7.809 1.093 1.00 0.00 C ATOM 444 CG HIS A 367 61.646 -8.279 0.229 1.00 0.00 C ATOM 445 ND1 HIS A 367 60.837 -7.399 -0.494 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.243 -9.539 -0.007 1.00 0.00 C ATOM 447 CE1 HIS A 367 59.964 -8.201 -1.148 1.00 0.00 C ATOM 448 NE2 HIS A 367 60.192 -9.482 -0.868 1.00 0.00 N ATOM 0 H HIS A 367 61.859 -7.133 3.556 1.00 0.00 H new ATOM 0 HA HIS A 367 62.884 -9.604 2.304 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.693 -6.738 1.265 1.00 0.00 H new ATOM 0 HB3 HIS A 367 63.729 -7.954 0.545 1.00 0.00 H new ATOM 0 HD2 HIS A 367 61.676 -10.435 0.412 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.186 -7.848 -1.809 1.00 0.00 H new ATOM 0 HE2 HIS A 367 59.671 -10.279 -1.234 1.00 0.00 H new ATOM 456 N SER A 368 65.127 -9.070 3.090 1.00 0.00 N ATOM 457 CA SER A 368 66.372 -8.838 3.730 1.00 0.00 C ATOM 458 C SER A 368 67.266 -7.957 2.940 1.00 0.00 C ATOM 459 O SER A 368 67.112 -7.839 1.725 1.00 0.00 O ATOM 460 CB SER A 368 67.038 -10.120 4.132 1.00 0.00 C ATOM 461 OG SER A 368 67.190 -10.993 3.050 1.00 0.00 O ATOM 0 H SER A 368 65.052 -9.968 2.612 1.00 0.00 H new ATOM 0 HA SER A 368 66.154 -8.293 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 368 68.016 -9.901 4.562 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.449 -10.606 4.910 1.00 0.00 H new ATOM 0 HG SER A 368 67.629 -11.815 3.352 1.00 0.00 H new ATOM 467 N LEU A 369 68.190 -7.335 3.641 1.00 0.00 N ATOM 468 CA LEU A 369 69.144 -6.387 3.111 1.00 0.00 C ATOM 469 C LEU A 369 69.768 -6.868 1.819 1.00 0.00 C ATOM 470 O LEU A 369 69.815 -6.116 0.827 1.00 0.00 O ATOM 471 CB LEU A 369 70.190 -6.082 4.207 1.00 0.00 C ATOM 472 CG LEU A 369 71.404 -5.169 3.876 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.488 -5.926 3.119 1.00 0.00 C ATOM 474 CD2 LEU A 369 70.960 -3.995 3.042 1.00 0.00 C ATOM 0 H LEU A 369 68.301 -7.485 4.644 1.00 0.00 H new ATOM 0 HA LEU A 369 68.632 -5.462 2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 369 69.661 -5.630 5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.585 -7.036 4.556 1.00 0.00 H new ATOM 0 HG LEU A 369 71.816 -4.824 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.320 -5.254 2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 369 72.841 -6.760 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.080 -6.307 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 369 71.819 -3.363 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.521 -4.355 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.219 -3.417 3.593 1.00 0.00 H new ATOM 486 N THR A 370 70.167 -8.112 1.793 1.00 0.00 N ATOM 487 CA THR A 370 70.829 -8.652 0.630 1.00 0.00 C ATOM 488 C THR A 370 69.892 -8.653 -0.585 1.00 0.00 C ATOM 489 O THR A 370 70.321 -8.447 -1.726 1.00 0.00 O ATOM 490 CB THR A 370 71.379 -10.063 0.880 1.00 0.00 C ATOM 491 OG1 THR A 370 72.250 -10.036 2.036 1.00 0.00 O ATOM 492 CG2 THR A 370 72.171 -10.506 -0.332 1.00 0.00 C ATOM 0 H THR A 370 70.047 -8.772 2.562 1.00 0.00 H new ATOM 0 HA THR A 370 71.677 -8.001 0.419 1.00 0.00 H new ATOM 0 HB THR A 370 70.556 -10.756 1.057 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.603 -10.935 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.565 -11.508 -0.163 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.522 -10.515 -1.208 1.00 0.00 H new ATOM 0 HG23 THR A 370 72.997 -9.815 -0.500 1.00 0.00 H new ATOM 500 N GLN A 371 68.620 -8.783 -0.315 1.00 0.00 N ATOM 501 CA GLN A 371 67.631 -8.911 -1.360 1.00 0.00 C ATOM 502 C GLN A 371 67.353 -7.557 -1.948 1.00 0.00 C ATOM 503 O GLN A 371 67.004 -7.435 -3.120 1.00 0.00 O ATOM 504 CB GLN A 371 66.338 -9.504 -0.825 1.00 0.00 C ATOM 505 CG GLN A 371 66.558 -10.624 0.164 1.00 0.00 C ATOM 506 CD GLN A 371 65.333 -11.468 0.406 1.00 0.00 C ATOM 507 OE1 GLN A 371 64.190 -10.866 0.326 1.00 0.00 O flip ATOM 508 NE2 GLN A 371 65.424 -12.659 0.679 1.00 0.00 N flip ATOM 0 H GLN A 371 68.238 -8.803 0.631 1.00 0.00 H new ATOM 0 HA GLN A 371 68.024 -9.581 -2.125 1.00 0.00 H new ATOM 0 HB2 GLN A 371 65.756 -8.716 -0.347 1.00 0.00 H new ATOM 0 HB3 GLN A 371 65.745 -9.877 -1.660 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.363 -11.263 -0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 371 66.889 -10.200 1.112 1.00 0.00 H new ATOM 0 HE21 GLN A 371 66.342 -13.101 0.734 1.00 0.00 H new ATOM 0 HE22 GLN A 371 64.582 -13.208 0.852 1.00 0.00 H new ATOM 517 N ARG A 372 67.507 -6.518 -1.126 1.00 0.00 N ATOM 518 CA ARG A 372 67.303 -5.182 -1.627 1.00 0.00 C ATOM 519 C ARG A 372 68.500 -4.749 -2.446 1.00 0.00 C ATOM 520 O ARG A 372 68.332 -4.099 -3.462 1.00 0.00 O ATOM 521 CB ARG A 372 67.050 -4.102 -0.575 1.00 0.00 C ATOM 522 CG ARG A 372 65.822 -4.208 0.307 1.00 0.00 C ATOM 523 CD ARG A 372 66.036 -5.219 1.369 1.00 0.00 C ATOM 524 NE ARG A 372 65.438 -4.881 2.626 1.00 0.00 N ATOM 525 CZ ARG A 372 65.996 -4.146 3.597 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.032 -3.374 3.344 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.474 -4.168 4.809 1.00 0.00 N ATOM 0 H ARG A 372 67.765 -6.583 -0.141 1.00 0.00 H new ATOM 0 HA ARG A 372 66.389 -5.260 -2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 372 67.922 -4.068 0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.002 -3.144 -1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 372 65.604 -3.239 0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 372 64.956 -4.482 -0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.634 -6.175 1.033 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.107 -5.357 1.514 1.00 0.00 H new ATOM 0 HE ARG A 372 64.497 -5.234 2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 372 67.418 -3.331 2.401 1.00 0.00 H new ATOM 0 HH12 ARG A 372 67.449 -2.819 4.091 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.652 -4.741 5.000 1.00 0.00 H new ATOM 0 HH22 ARG A 372 65.892 -3.612 5.555 1.00 0.00 H new ATOM 541 N ARG A 373 69.728 -5.107 -1.983 1.00 0.00 N ATOM 542 CA ARG A 373 70.955 -4.741 -2.717 1.00 0.00 C ATOM 543 C ARG A 373 70.986 -5.419 -4.075 1.00 0.00 C ATOM 544 O ARG A 373 71.536 -4.888 -5.043 1.00 0.00 O ATOM 545 CB ARG A 373 72.214 -5.131 -1.935 1.00 0.00 C ATOM 546 CG ARG A 373 72.391 -4.411 -0.627 1.00 0.00 C ATOM 547 CD ARG A 373 73.720 -4.735 0.009 1.00 0.00 C ATOM 548 NE ARG A 373 74.832 -4.045 -0.649 1.00 0.00 N ATOM 549 CZ ARG A 373 76.011 -4.572 -0.997 1.00 0.00 C ATOM 550 NH1 ARG A 373 76.281 -5.863 -0.773 1.00 0.00 N ATOM 551 NH2 ARG A 373 76.926 -3.783 -1.538 1.00 0.00 N ATOM 0 H ARG A 373 69.886 -5.636 -1.125 1.00 0.00 H new ATOM 0 HA ARG A 373 70.943 -3.659 -2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.188 -6.204 -1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.087 -4.940 -2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.317 -3.336 -0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.585 -4.686 0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.694 -4.456 1.062 1.00 0.00 H new ATOM 0 HD3 ARG A 373 73.887 -5.811 -0.032 1.00 0.00 H new ATOM 0 HE ARG A 373 74.692 -3.058 -0.865 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.583 -6.461 -0.331 1.00 0.00 H new ATOM 0 HH12 ARG A 373 77.185 -6.250 -1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 373 76.725 -2.793 -1.682 1.00 0.00 H new ATOM 0 HH22 ARG A 373 77.832 -4.165 -1.811 1.00 0.00 H new ATOM 565 N ALA A 374 70.383 -6.594 -4.124 1.00 0.00 N ATOM 566 CA ALA A 374 70.323 -7.402 -5.343 1.00 0.00 C ATOM 567 C ALA A 374 69.485 -6.754 -6.443 1.00 0.00 C ATOM 568 O ALA A 374 69.827 -6.839 -7.628 1.00 0.00 O ATOM 569 CB ALA A 374 69.795 -8.798 -5.037 1.00 0.00 C ATOM 0 H ALA A 374 69.919 -7.021 -3.322 1.00 0.00 H new ATOM 0 HA ALA A 374 71.344 -7.474 -5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 374 69.758 -9.383 -5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.455 -9.288 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 374 68.793 -8.723 -4.614 1.00 0.00 H new ATOM 575 N VAL A 375 68.410 -6.101 -6.067 1.00 0.00 N ATOM 576 CA VAL A 375 67.523 -5.514 -7.052 1.00 0.00 C ATOM 577 C VAL A 375 67.967 -4.137 -7.401 1.00 0.00 C ATOM 578 O VAL A 375 68.259 -3.297 -6.555 1.00 0.00 O ATOM 579 CB VAL A 375 66.017 -5.585 -6.658 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.708 -4.706 -5.475 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.108 -5.249 -7.827 1.00 0.00 C ATOM 0 H VAL A 375 68.128 -5.962 -5.097 1.00 0.00 H new ATOM 0 HA VAL A 375 67.595 -6.126 -7.951 1.00 0.00 H new ATOM 0 HB VAL A 375 65.820 -6.618 -6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.648 -4.783 -5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.302 -5.026 -4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 375 65.950 -3.671 -5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.067 -5.311 -7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.322 -4.238 -8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.282 -5.956 -8.638 1.00 0.00 H new ATOM 591 N GLN A 376 67.969 -3.915 -8.649 1.00 0.00 N ATOM 592 CA GLN A 376 68.526 -2.761 -9.231 1.00 0.00 C ATOM 593 C GLN A 376 67.427 -1.746 -9.563 1.00 0.00 C ATOM 594 O GLN A 376 67.546 -0.954 -10.500 1.00 0.00 O ATOM 595 CB GLN A 376 69.246 -3.236 -10.471 1.00 0.00 C ATOM 596 CG GLN A 376 70.238 -4.371 -10.206 1.00 0.00 C ATOM 597 CD GLN A 376 71.365 -3.975 -9.269 1.00 0.00 C ATOM 598 OE1 GLN A 376 71.799 -2.819 -9.252 1.00 0.00 O ATOM 599 NE2 GLN A 376 71.809 -4.901 -8.464 1.00 0.00 N ATOM 0 H GLN A 376 67.565 -4.559 -9.329 1.00 0.00 H new ATOM 0 HA GLN A 376 69.214 -2.251 -8.557 1.00 0.00 H new ATOM 0 HB2 GLN A 376 68.510 -3.571 -11.202 1.00 0.00 H new ATOM 0 HB3 GLN A 376 69.779 -2.396 -10.916 1.00 0.00 H new ATOM 0 HG2 GLN A 376 69.703 -5.220 -9.781 1.00 0.00 H new ATOM 0 HG3 GLN A 376 70.662 -4.703 -11.154 1.00 0.00 H new ATOM 0 HE21 GLN A 376 71.424 -5.844 -8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 376 72.541 -4.681 -7.789 1.00 0.00 H new ATOM 608 N GLY A 377 66.378 -1.768 -8.742 1.00 0.00 N ATOM 609 CA GLY A 377 65.227 -0.886 -8.900 1.00 0.00 C ATOM 610 C GLY A 377 65.575 0.587 -8.822 1.00 0.00 C ATOM 611 O GLY A 377 65.183 1.386 -9.676 1.00 0.00 O ATOM 0 H GLY A 377 66.304 -2.401 -7.946 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.754 -1.088 -9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.493 -1.119 -8.128 1.00 0.00 H new ATOM 615 N ARG A 378 66.311 0.925 -7.806 1.00 0.00 N ATOM 616 CA ARG A 378 66.716 2.276 -7.535 1.00 0.00 C ATOM 617 C ARG A 378 67.667 2.784 -8.593 1.00 0.00 C ATOM 618 O ARG A 378 68.238 2.029 -9.387 1.00 0.00 O ATOM 619 CB ARG A 378 67.437 2.293 -6.225 1.00 0.00 C ATOM 620 CG ARG A 378 66.677 1.696 -5.065 1.00 0.00 C ATOM 621 CD ARG A 378 67.665 1.106 -4.141 1.00 0.00 C ATOM 622 NE ARG A 378 66.983 0.179 -3.320 1.00 0.00 N ATOM 623 CZ ARG A 378 66.717 -1.049 -3.729 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.068 -1.415 -4.962 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.114 -1.893 -2.932 1.00 0.00 N ATOM 0 H ARG A 378 66.657 0.252 -7.123 1.00 0.00 H new ATOM 0 HA ARG A 378 65.829 2.910 -7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.377 1.753 -6.339 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.689 3.325 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 378 66.088 2.461 -4.559 1.00 0.00 H new ATOM 0 HG3 ARG A 378 65.979 0.936 -5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.461 0.611 -4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 378 68.133 1.882 -3.535 1.00 0.00 H new ATOM 0 HE ARG A 378 66.688 0.466 -2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.536 -0.750 -5.578 1.00 0.00 H new ATOM 0 HH12 ARG A 378 66.868 -2.360 -5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 378 65.847 -1.604 -1.991 1.00 0.00 H new ATOM 0 HH22 ARG A 378 65.911 -2.840 -3.252 1.00 0.00 H new ATOM 639 N ARG A 379 67.860 4.046 -8.551 1.00 0.00 N ATOM 640 CA ARG A 379 68.741 4.755 -9.441 1.00 0.00 C ATOM 641 C ARG A 379 70.183 4.719 -8.977 1.00 0.00 C ATOM 642 O ARG A 379 71.106 5.005 -9.737 1.00 0.00 O ATOM 643 CB ARG A 379 68.256 6.177 -9.589 1.00 0.00 C ATOM 644 CG ARG A 379 67.620 6.747 -8.353 1.00 0.00 C ATOM 645 CD ARG A 379 67.156 8.111 -8.617 1.00 0.00 C ATOM 646 NE ARG A 379 66.248 8.179 -9.765 1.00 0.00 N ATOM 647 CZ ARG A 379 66.136 9.215 -10.601 1.00 0.00 C ATOM 648 NH1 ARG A 379 66.982 10.240 -10.524 1.00 0.00 N ATOM 649 NH2 ARG A 379 65.204 9.197 -11.539 1.00 0.00 N ATOM 0 H ARG A 379 67.397 4.652 -7.874 1.00 0.00 H new ATOM 0 HA ARG A 379 68.720 4.256 -10.410 1.00 0.00 H new ATOM 0 HB2 ARG A 379 69.098 6.808 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 379 67.536 6.219 -10.406 1.00 0.00 H new ATOM 0 HG2 ARG A 379 66.783 6.122 -8.043 1.00 0.00 H new ATOM 0 HG3 ARG A 379 68.337 6.750 -7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 379 66.649 8.497 -7.733 1.00 0.00 H new ATOM 0 HD3 ARG A 379 68.016 8.756 -8.798 1.00 0.00 H new ATOM 0 HE ARG A 379 65.653 7.369 -9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 379 67.723 10.238 -9.823 1.00 0.00 H new ATOM 0 HH12 ARG A 379 66.889 11.027 -11.166 1.00 0.00 H new ATOM 0 HH21 ARG A 379 64.577 8.396 -11.620 1.00 0.00 H new ATOM 0 HH22 ARG A 379 65.112 9.984 -12.181 1.00 0.00 H new ATOM 663 N LYS A 380 70.377 4.338 -7.743 1.00 0.00 N ATOM 664 CA LYS A 380 71.640 4.339 -7.115 1.00 0.00 C ATOM 665 C LYS A 380 71.755 2.978 -6.479 1.00 0.00 C ATOM 666 O LYS A 380 70.749 2.244 -6.459 1.00 0.00 O ATOM 667 CB LYS A 380 71.569 5.407 -6.022 1.00 0.00 C ATOM 668 CG LYS A 380 71.015 6.743 -6.491 1.00 0.00 C ATOM 669 CD LYS A 380 70.424 7.541 -5.344 1.00 0.00 C ATOM 670 CE LYS A 380 69.719 8.792 -5.869 1.00 0.00 C ATOM 671 NZ LYS A 380 69.119 9.614 -4.789 1.00 0.00 N ATOM 0 H LYS A 380 69.623 4.010 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 380 72.477 4.538 -7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 380 70.949 5.035 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.569 5.563 -5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.809 7.320 -6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 380 70.250 6.574 -7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 380 69.717 6.924 -4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 380 71.212 7.826 -4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 380 70.433 9.399 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 380 68.938 8.496 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 68.656 10.447 -5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 68.416 9.048 -4.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 69.865 9.923 -4.133 1.00 0.00 H new ATOM 685 N ARG A 381 72.935 2.626 -5.980 1.00 0.00 N ATOM 686 CA ARG A 381 73.114 1.371 -5.232 1.00 0.00 C ATOM 687 C ARG A 381 72.213 1.405 -4.068 1.00 0.00 C ATOM 688 O ARG A 381 71.855 2.474 -3.583 1.00 0.00 O ATOM 689 CB ARG A 381 74.530 1.222 -4.703 1.00 0.00 C ATOM 690 CG ARG A 381 75.565 1.313 -5.755 1.00 0.00 C ATOM 691 CD ARG A 381 76.963 1.182 -5.179 1.00 0.00 C ATOM 692 NE ARG A 381 77.971 1.194 -6.233 1.00 0.00 N ATOM 693 CZ ARG A 381 79.286 1.022 -6.069 1.00 0.00 C ATOM 694 NH1 ARG A 381 79.798 0.801 -4.855 1.00 0.00 N ATOM 695 NH2 ARG A 381 80.084 1.066 -7.140 1.00 0.00 N ATOM 0 H ARG A 381 73.783 3.184 -6.075 1.00 0.00 H new ATOM 0 HA ARG A 381 72.902 0.541 -5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.714 1.994 -3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.621 0.261 -4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.401 0.530 -6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 381 75.473 2.267 -6.274 1.00 0.00 H new ATOM 0 HD2 ARG A 381 77.151 2.000 -4.483 1.00 0.00 H new ATOM 0 HD3 ARG A 381 77.039 0.256 -4.610 1.00 0.00 H new ATOM 0 HE ARG A 381 77.641 1.348 -7.186 1.00 0.00 H new ATOM 0 HH11 ARG A 381 79.184 0.762 -4.042 1.00 0.00 H new ATOM 0 HH12 ARG A 381 80.803 0.671 -4.741 1.00 0.00 H new ATOM 0 HH21 ARG A 381 79.687 1.229 -8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 381 81.090 0.937 -7.032 1.00 0.00 H new ATOM 709 N PHE A 382 71.871 0.291 -3.597 1.00 0.00 N ATOM 710 CA PHE A 382 70.964 0.232 -2.512 1.00 0.00 C ATOM 711 C PHE A 382 71.544 0.833 -1.250 1.00 0.00 C ATOM 712 O PHE A 382 70.851 1.476 -0.508 1.00 0.00 O ATOM 713 CB PHE A 382 70.459 -1.165 -2.273 1.00 0.00 C ATOM 714 CG PHE A 382 69.583 -1.250 -1.059 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.534 -0.381 -0.912 1.00 0.00 C ATOM 716 CD2 PHE A 382 69.831 -2.141 -0.057 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.750 -0.396 0.179 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.047 -2.151 1.058 1.00 0.00 C ATOM 719 CZ PHE A 382 68.007 -1.275 1.165 1.00 0.00 C ATOM 0 H PHE A 382 72.200 -0.612 -3.938 1.00 0.00 H new ATOM 0 HA PHE A 382 70.106 0.842 -2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.901 -1.502 -3.146 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.306 -1.841 -2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 382 68.332 0.336 -1.694 1.00 0.00 H new ATOM 0 HD2 PHE A 382 70.650 -2.840 -0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.921 0.291 0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 382 69.249 -2.851 1.855 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.385 -1.287 2.048 1.00 0.00 H new ATOM 729 N ASP A 383 72.798 0.675 -1.062 1.00 0.00 N ATOM 730 CA ASP A 383 73.438 1.137 0.153 1.00 0.00 C ATOM 731 C ASP A 383 73.436 2.654 0.206 1.00 0.00 C ATOM 732 O ASP A 383 73.116 3.254 1.230 1.00 0.00 O ATOM 733 CB ASP A 383 74.857 0.655 0.220 1.00 0.00 C ATOM 734 CG ASP A 383 75.010 -0.841 0.118 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.593 -1.562 1.032 1.00 0.00 O ATOM 736 OD2 ASP A 383 75.604 -1.319 -0.871 1.00 0.00 O ATOM 0 H ASP A 383 73.426 0.227 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 383 72.878 0.737 0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.425 1.122 -0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 383 75.298 0.990 1.159 1.00 0.00 H new ATOM 741 N VAL A 384 73.746 3.263 -0.922 1.00 0.00 N ATOM 742 CA VAL A 384 73.809 4.710 -1.040 1.00 0.00 C ATOM 743 C VAL A 384 72.418 5.294 -0.959 1.00 0.00 C ATOM 744 O VAL A 384 72.197 6.382 -0.424 1.00 0.00 O ATOM 745 CB VAL A 384 74.497 5.103 -2.363 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.652 4.833 -3.583 1.00 0.00 C ATOM 747 CG2 VAL A 384 75.061 6.505 -2.348 1.00 0.00 C ATOM 0 H VAL A 384 73.962 2.768 -1.787 1.00 0.00 H new ATOM 0 HA VAL A 384 74.399 5.113 -0.217 1.00 0.00 H new ATOM 0 HB VAL A 384 75.354 4.434 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 384 74.198 5.133 -4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 384 73.422 3.769 -3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.724 5.401 -3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.531 6.718 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.257 7.219 -2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.803 6.590 -1.554 1.00 0.00 H new ATOM 757 N LEU A 385 71.502 4.542 -1.480 1.00 0.00 N ATOM 758 CA LEU A 385 70.140 4.845 -1.468 1.00 0.00 C ATOM 759 C LEU A 385 69.613 4.738 -0.039 1.00 0.00 C ATOM 760 O LEU A 385 68.868 5.595 0.427 1.00 0.00 O ATOM 761 CB LEU A 385 69.439 3.857 -2.413 1.00 0.00 C ATOM 762 CG LEU A 385 67.987 4.049 -2.675 1.00 0.00 C ATOM 763 CD1 LEU A 385 67.254 3.378 -1.577 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.668 5.526 -2.720 1.00 0.00 C ATOM 0 H LEU A 385 71.713 3.659 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 385 69.949 5.862 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.958 3.887 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.575 2.854 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 385 67.695 3.622 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 385 66.181 3.495 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.505 2.317 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.535 3.827 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.604 5.663 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.926 5.983 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 385 68.244 5.999 -3.516 1.00 0.00 H new ATOM 776 N LEU A 386 69.991 3.681 0.640 1.00 0.00 N ATOM 777 CA LEU A 386 69.566 3.476 2.009 1.00 0.00 C ATOM 778 C LEU A 386 70.146 4.572 2.868 1.00 0.00 C ATOM 779 O LEU A 386 69.558 4.955 3.848 1.00 0.00 O ATOM 780 CB LEU A 386 70.040 2.150 2.545 1.00 0.00 C ATOM 781 CG LEU A 386 69.009 1.224 3.234 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.717 0.088 3.939 1.00 0.00 C ATOM 783 CD2 LEU A 386 68.066 1.957 4.197 1.00 0.00 C ATOM 0 H LEU A 386 70.593 2.947 0.268 1.00 0.00 H new ATOM 0 HA LEU A 386 68.476 3.489 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.482 1.596 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.839 2.347 3.260 1.00 0.00 H new ATOM 0 HG LEU A 386 68.374 0.827 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.981 -0.557 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.288 -0.491 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.393 0.492 4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.373 1.243 4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.649 2.434 4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.505 2.715 3.650 1.00 0.00 H new ATOM 795 N ALA A 387 71.307 5.067 2.479 1.00 0.00 N ATOM 796 CA ALA A 387 71.937 6.183 3.168 1.00 0.00 C ATOM 797 C ALA A 387 71.047 7.427 3.071 1.00 0.00 C ATOM 798 O ALA A 387 70.930 8.198 4.020 1.00 0.00 O ATOM 799 CB ALA A 387 73.303 6.448 2.586 1.00 0.00 C ATOM 0 H ALA A 387 71.838 4.712 1.684 1.00 0.00 H new ATOM 0 HA ALA A 387 72.060 5.931 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.765 7.285 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.925 5.561 2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 387 73.207 6.690 1.528 1.00 0.00 H new ATOM 805 N GLU A 388 70.394 7.593 1.928 1.00 0.00 N ATOM 806 CA GLU A 388 69.437 8.653 1.731 1.00 0.00 C ATOM 807 C GLU A 388 68.212 8.394 2.587 1.00 0.00 C ATOM 808 O GLU A 388 67.614 9.324 3.139 1.00 0.00 O ATOM 809 CB GLU A 388 69.042 8.704 0.294 1.00 0.00 C ATOM 810 CG GLU A 388 70.166 9.104 -0.609 1.00 0.00 C ATOM 811 CD GLU A 388 70.698 10.481 -0.316 1.00 0.00 C ATOM 812 OE1 GLU A 388 70.080 11.473 -0.760 1.00 0.00 O ATOM 813 OE2 GLU A 388 71.762 10.602 0.331 1.00 0.00 O ATOM 0 H GLU A 388 70.520 6.990 1.115 1.00 0.00 H new ATOM 0 HA GLU A 388 69.883 9.605 2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 388 68.670 7.725 -0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 388 68.219 9.409 0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.976 8.380 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 388 69.824 9.066 -1.643 1.00 0.00 H new ATOM 820 N HIS A 389 67.837 7.112 2.697 1.00 0.00 N ATOM 821 CA HIS A 389 66.764 6.701 3.581 1.00 0.00 C ATOM 822 C HIS A 389 67.096 7.031 4.978 1.00 0.00 C ATOM 823 O HIS A 389 66.292 7.547 5.650 1.00 0.00 O ATOM 824 CB HIS A 389 66.422 5.225 3.474 1.00 0.00 C ATOM 825 CG HIS A 389 65.371 4.807 4.439 1.00 0.00 C ATOM 826 ND1 HIS A 389 65.478 4.004 5.480 1.00 0.00 N flip ATOM 827 CD2 HIS A 389 64.135 5.352 4.505 1.00 0.00 C flip ATOM 828 CE1 HIS A 389 64.332 4.075 6.177 1.00 0.00 C flip ATOM 829 NE2 HIS A 389 63.538 4.911 5.575 1.00 0.00 N flip ATOM 0 H HIS A 389 68.269 6.348 2.178 1.00 0.00 H new ATOM 0 HA HIS A 389 65.881 7.255 3.261 1.00 0.00 H new ATOM 0 HB2 HIS A 389 66.086 5.007 2.460 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.322 4.635 3.645 1.00 0.00 H new ATOM 0 HD2 HIS A 389 63.712 6.040 3.788 1.00 0.00 H new ATOM 0 HE1 HIS A 389 64.108 3.531 7.083 1.00 0.00 H new ATOM 0 HE2 HIS A 389 62.604 5.177 5.888 1.00 0.00 H new ATOM 838 N LYS A 390 68.258 6.689 5.421 1.00 0.00 N ATOM 839 CA LYS A 390 68.646 7.001 6.759 1.00 0.00 C ATOM 840 C LYS A 390 68.790 8.477 6.976 1.00 0.00 C ATOM 841 O LYS A 390 68.535 8.957 8.016 1.00 0.00 O ATOM 842 CB LYS A 390 69.858 6.227 7.152 1.00 0.00 C ATOM 843 CG LYS A 390 69.672 4.744 6.854 1.00 0.00 C ATOM 844 CD LYS A 390 68.402 4.167 7.504 1.00 0.00 C ATOM 845 CE LYS A 390 68.651 3.838 8.950 1.00 0.00 C ATOM 846 NZ LYS A 390 69.738 2.843 9.140 1.00 0.00 N ATOM 0 H LYS A 390 68.961 6.191 4.875 1.00 0.00 H new ATOM 0 HA LYS A 390 67.842 6.689 7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.727 6.605 6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 390 70.056 6.367 8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.623 4.597 5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.542 4.193 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.587 4.886 7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 390 68.089 3.270 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.905 4.752 9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.732 3.453 9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.580 2.321 10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.742 2.177 8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.654 3.334 9.186 1.00 0.00 H new ATOM 860 N ASN A 391 69.113 9.200 5.990 1.00 0.00 N ATOM 861 CA ASN A 391 69.162 10.634 6.182 1.00 0.00 C ATOM 862 C ASN A 391 67.744 11.207 6.426 1.00 0.00 C ATOM 863 O ASN A 391 67.579 12.254 7.058 1.00 0.00 O ATOM 864 CB ASN A 391 69.908 11.342 5.049 1.00 0.00 C ATOM 865 CG ASN A 391 71.390 11.504 5.314 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.838 12.523 5.865 1.00 0.00 O ATOM 867 ND2 ASN A 391 72.162 10.523 4.939 1.00 0.00 N ATOM 0 H ASN A 391 69.347 8.864 5.056 1.00 0.00 H new ATOM 0 HA ASN A 391 69.743 10.833 7.082 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.771 10.779 4.126 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.465 12.325 4.891 1.00 0.00 H new ATOM 0 HD21 ASN A 391 73.168 10.578 5.095 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.760 9.701 4.489 1.00 0.00 H new ATOM 874 N LYS A 392 66.744 10.498 5.940 1.00 0.00 N ATOM 875 CA LYS A 392 65.367 10.811 6.195 1.00 0.00 C ATOM 876 C LYS A 392 64.889 10.060 7.470 1.00 0.00 C ATOM 877 O LYS A 392 64.607 10.662 8.503 1.00 0.00 O ATOM 878 CB LYS A 392 64.525 10.366 5.001 1.00 0.00 C ATOM 879 CG LYS A 392 63.042 10.599 5.189 1.00 0.00 C ATOM 880 CD LYS A 392 62.592 12.010 4.872 1.00 0.00 C ATOM 881 CE LYS A 392 62.634 12.294 3.372 1.00 0.00 C ATOM 882 NZ LYS A 392 62.082 13.621 3.021 1.00 0.00 N ATOM 0 H LYS A 392 66.876 9.677 5.349 1.00 0.00 H new ATOM 0 HA LYS A 392 65.258 11.885 6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.859 10.900 4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.698 9.305 4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.493 9.903 4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.777 10.368 6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 392 61.578 12.160 5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 392 63.231 12.722 5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 392 63.665 12.232 3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 392 62.073 11.522 2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 62.136 13.758 1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 61.089 13.676 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 62.632 14.363 3.499 1.00 0.00 H new ATOM 896 N THR A 393 64.874 8.742 7.372 1.00 0.00 N ATOM 897 CA THR A 393 64.374 7.827 8.369 1.00 0.00 C ATOM 898 C THR A 393 65.501 6.877 8.885 1.00 0.00 C ATOM 899 O THR A 393 65.539 5.673 8.631 1.00 0.00 O ATOM 900 CB THR A 393 63.285 6.988 7.773 1.00 0.00 C ATOM 901 OG1 THR A 393 62.346 7.833 7.090 1.00 0.00 O ATOM 902 CG2 THR A 393 62.569 6.179 8.836 1.00 0.00 C ATOM 0 H THR A 393 65.231 8.261 6.547 1.00 0.00 H new ATOM 0 HA THR A 393 63.997 8.416 9.205 1.00 0.00 H new ATOM 0 HB THR A 393 63.737 6.292 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.635 7.283 6.699 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.785 5.581 8.372 1.00 0.00 H new ATOM 0 HG22 THR A 393 63.281 5.520 9.333 1.00 0.00 H new ATOM 0 HG23 THR A 393 62.125 6.853 9.569 1.00 0.00 H new ATOM 910 N ARG A 394 66.458 7.504 9.395 1.00 0.00 N ATOM 911 CA ARG A 394 67.601 6.944 10.162 1.00 0.00 C ATOM 912 C ARG A 394 67.214 6.025 11.333 1.00 0.00 C ATOM 913 O ARG A 394 68.063 5.305 11.862 1.00 0.00 O ATOM 914 CB ARG A 394 68.559 8.068 10.616 1.00 0.00 C ATOM 915 CG ARG A 394 67.968 9.109 11.501 1.00 0.00 C ATOM 916 CD ARG A 394 69.015 10.104 11.945 1.00 0.00 C ATOM 917 NE ARG A 394 68.433 11.191 12.722 1.00 0.00 N ATOM 918 CZ ARG A 394 69.048 12.345 13.009 1.00 0.00 C ATOM 919 NH1 ARG A 394 70.331 12.537 12.665 1.00 0.00 N ATOM 920 NH2 ARG A 394 68.386 13.296 13.659 1.00 0.00 N ATOM 0 H ARG A 394 66.523 8.519 9.312 1.00 0.00 H new ATOM 0 HA ARG A 394 68.120 6.287 9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 394 69.402 7.612 11.136 1.00 0.00 H new ATOM 0 HB3 ARG A 394 68.959 8.558 9.728 1.00 0.00 H new ATOM 0 HG2 ARG A 394 67.169 9.629 10.973 1.00 0.00 H new ATOM 0 HG3 ARG A 394 67.518 8.636 12.374 1.00 0.00 H new ATOM 0 HD2 ARG A 394 69.771 9.594 12.542 1.00 0.00 H new ATOM 0 HD3 ARG A 394 69.522 10.513 11.071 1.00 0.00 H new ATOM 0 HE ARG A 394 67.484 11.063 13.074 1.00 0.00 H new ATOM 0 HH11 ARG A 394 70.845 11.801 12.181 1.00 0.00 H new ATOM 0 HH12 ARG A 394 70.792 13.419 12.887 1.00 0.00 H new ATOM 0 HH21 ARG A 394 67.416 13.144 13.936 1.00 0.00 H new ATOM 0 HH22 ARG A 394 68.848 14.178 13.881 1.00 0.00 H new ATOM 934 N GLU A 395 65.962 6.041 11.710 1.00 0.00 N ATOM 935 CA GLU A 395 65.455 5.199 12.763 1.00 0.00 C ATOM 936 C GLU A 395 65.283 3.779 12.263 1.00 0.00 C ATOM 937 O GLU A 395 64.354 3.486 11.514 1.00 0.00 O ATOM 938 CB GLU A 395 64.108 5.696 13.244 1.00 0.00 C ATOM 939 CG GLU A 395 64.107 7.055 13.893 1.00 0.00 C ATOM 940 CD GLU A 395 62.724 7.430 14.336 1.00 0.00 C ATOM 941 OE1 GLU A 395 62.247 6.884 15.361 1.00 0.00 O ATOM 942 OE2 GLU A 395 62.072 8.247 13.664 1.00 0.00 O ATOM 0 H GLU A 395 65.257 6.646 11.290 1.00 0.00 H new ATOM 0 HA GLU A 395 66.173 5.226 13.583 1.00 0.00 H new ATOM 0 HB2 GLU A 395 63.425 5.719 12.395 1.00 0.00 H new ATOM 0 HB3 GLU A 395 63.708 4.974 13.955 1.00 0.00 H new ATOM 0 HG2 GLU A 395 64.781 7.055 14.750 1.00 0.00 H new ATOM 0 HG3 GLU A 395 64.484 7.799 13.191 1.00 0.00 H new ATOM 949 N LYS A 396 66.184 2.929 12.627 1.00 0.00 N ATOM 950 CA LYS A 396 66.096 1.538 12.280 1.00 0.00 C ATOM 951 C LYS A 396 66.353 0.702 13.511 1.00 0.00 C ATOM 952 O LYS A 396 67.208 1.050 14.335 1.00 0.00 O ATOM 953 CB LYS A 396 67.078 1.181 11.171 1.00 0.00 C ATOM 954 CG LYS A 396 66.989 -0.269 10.748 1.00 0.00 C ATOM 955 CD LYS A 396 67.816 -0.539 9.531 1.00 0.00 C ATOM 956 CE LYS A 396 67.761 -2.010 9.139 1.00 0.00 C ATOM 957 NZ LYS A 396 66.377 -2.455 8.844 1.00 0.00 N ATOM 0 H LYS A 396 67.008 3.174 13.176 1.00 0.00 H new ATOM 0 HA LYS A 396 65.094 1.332 11.904 1.00 0.00 H new ATOM 0 HB2 LYS A 396 66.889 1.818 10.307 1.00 0.00 H new ATOM 0 HB3 LYS A 396 68.092 1.394 11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 396 67.323 -0.908 11.565 1.00 0.00 H new ATOM 0 HG3 LYS A 396 65.949 -0.527 10.547 1.00 0.00 H new ATOM 0 HD2 LYS A 396 67.459 0.074 8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 396 68.850 -0.249 9.720 1.00 0.00 H new ATOM 0 HE2 LYS A 396 68.389 -2.176 8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 396 68.172 -2.616 9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 66.395 -3.431 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 65.807 -2.417 9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 65.957 -1.830 8.127 1.00 0.00 H new ATOM 971 N GLU A 397 65.634 -0.380 13.645 1.00 0.00 N ATOM 972 CA GLU A 397 65.768 -1.225 14.784 1.00 0.00 C ATOM 973 C GLU A 397 67.009 -2.089 14.696 1.00 0.00 C ATOM 974 O GLU A 397 67.033 -3.112 14.016 1.00 0.00 O ATOM 975 CB GLU A 397 64.517 -2.054 14.986 1.00 0.00 C ATOM 976 CG GLU A 397 63.299 -1.215 15.322 1.00 0.00 C ATOM 977 CD GLU A 397 63.493 -0.419 16.590 1.00 0.00 C ATOM 978 OE1 GLU A 397 63.310 -0.981 17.689 1.00 0.00 O ATOM 979 OE2 GLU A 397 63.858 0.768 16.514 1.00 0.00 O ATOM 0 H GLU A 397 64.942 -0.694 12.965 1.00 0.00 H new ATOM 0 HA GLU A 397 65.890 -0.590 15.661 1.00 0.00 H new ATOM 0 HB2 GLU A 397 64.318 -2.628 14.081 1.00 0.00 H new ATOM 0 HB3 GLU A 397 64.689 -2.772 15.788 1.00 0.00 H new ATOM 0 HG2 GLU A 397 63.088 -0.536 14.496 1.00 0.00 H new ATOM 0 HG3 GLU A 397 62.430 -1.864 15.431 1.00 0.00 H new TER 986 GLU A 397 HETATM 987 ZN ZN A 500 60.554 -5.352 -0.089 1.00 0.00 ZN