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= -2.69! C(o=-2.3!,f=-7.4!) USER MOD Set 1.2: A 359 THR OG1 : rot 98:sc= 0.373 USER MOD Single : A 354 THR OG1 : rot -129:sc= -1.25 USER MOD Single : A 355 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.037) USER MOD Single : A 356 LYS NZ :NH3+ -156:sc= -0.142 (180deg=-0.746) USER MOD Single : A 361 SER OG : rot 180:sc= 0.00725 USER MOD Single : A 363 THR OG1 : rot 18:sc= 1.31 USER MOD Single : A 365 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00768) USER MOD Single : A 366 THR OG1 : rot 180:sc= 0.00392 USER MOD Single : A 368 SER OG : rot 180:sc= -1.68! USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 376 GLN : amide:sc= -0.897 K(o=-0.9,f=0) USER MOD Single : A 380 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 HIS : no HE2:sc= -8.37! C(o=-8.4!,f=-8.9!) USER MOD Single : A 390 LYS NZ :NH3+ -151:sc= -0.332 (180deg=-1.24!) USER MOD Single : A 391 ASN : amide:sc= 1.17 K(o=1.2,f=-0.029) USER MOD Single : A 392 LYS NZ :NH3+ -172:sc= 1 (180deg=0.871) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD Single : A 396 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 339 51.384 1.021 -3.492 1.00 0.00 N ATOM 2 CA ARG A 339 50.973 2.207 -4.122 1.00 0.00 C ATOM 3 C ARG A 339 51.614 2.190 -5.427 1.00 0.00 C ATOM 4 O ARG A 339 51.907 1.095 -5.949 1.00 0.00 O ATOM 5 CB ARG A 339 51.389 3.405 -3.284 1.00 0.00 C ATOM 6 CG ARG A 339 50.678 3.527 -1.924 1.00 0.00 C ATOM 7 CD ARG A 339 49.159 3.755 -2.053 1.00 0.00 C ATOM 8 NE ARG A 339 48.435 2.600 -2.631 1.00 0.00 N ATOM 9 CZ ARG A 339 47.260 2.668 -3.284 1.00 0.00 C ATOM 10 NH1 ARG A 339 46.664 3.835 -3.471 1.00 0.00 N ATOM 11 NH2 ARG A 339 46.695 1.560 -3.754 1.00 0.00 N ATOM 0 HA ARG A 339 49.891 2.280 -4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 339 52.464 3.353 -3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 339 51.202 4.313 -3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 339 50.855 2.620 -1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 339 51.117 4.353 -1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 339 48.748 3.975 -1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 339 48.983 4.632 -2.675 1.00 0.00 H new ATOM 0 HE ARG A 339 48.861 1.679 -2.526 1.00 0.00 H new ATOM 0 HH11 ARG A 339 47.095 4.690 -3.119 1.00 0.00 H new ATOM 0 HH12 ARG A 339 45.774 3.879 -3.967 1.00 0.00 H new ATOM 0 HH21 ARG A 339 47.152 0.658 -3.620 1.00 0.00 H new ATOM 0 HH22 ARG A 339 45.805 1.612 -4.249 1.00 0.00 H new ATOM 25 N GLU A 340 51.819 3.305 -6.006 1.00 0.00 N ATOM 26 CA GLU A 340 52.497 3.296 -7.211 1.00 0.00 C ATOM 27 C GLU A 340 53.972 3.015 -6.889 1.00 0.00 C ATOM 28 O GLU A 340 54.658 3.806 -6.269 1.00 0.00 O ATOM 29 CB GLU A 340 52.244 4.591 -7.983 1.00 0.00 C ATOM 30 CG GLU A 340 53.183 5.719 -7.683 1.00 0.00 C ATOM 31 CD GLU A 340 52.577 7.065 -7.931 1.00 0.00 C ATOM 32 OE1 GLU A 340 51.963 7.620 -7.007 1.00 0.00 O ATOM 33 OE2 GLU A 340 52.708 7.599 -9.058 1.00 0.00 O ATOM 0 H GLU A 340 51.527 4.219 -5.661 1.00 0.00 H new ATOM 0 HA GLU A 340 52.142 2.514 -7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 340 52.296 4.373 -9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 340 51.227 4.924 -7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 340 53.499 5.655 -6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 340 54.079 5.611 -8.295 1.00 0.00 H new ATOM 40 N PHE A 341 54.300 1.766 -7.024 1.00 0.00 N ATOM 41 CA PHE A 341 55.690 1.320 -6.995 1.00 0.00 C ATOM 42 C PHE A 341 56.629 2.352 -7.619 1.00 0.00 C ATOM 43 O PHE A 341 56.436 2.806 -8.764 1.00 0.00 O ATOM 44 CB PHE A 341 55.904 -0.026 -7.725 1.00 0.00 C ATOM 45 CG PHE A 341 57.342 -0.395 -7.777 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.034 -0.610 -6.613 1.00 0.00 C ATOM 47 CD2 PHE A 341 58.012 -0.496 -8.982 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.350 -0.916 -6.635 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.341 -0.810 -9.013 1.00 0.00 C ATOM 50 CZ PHE A 341 60.015 -1.019 -7.840 1.00 0.00 C ATOM 0 H PHE A 341 53.623 1.015 -7.158 1.00 0.00 H new ATOM 0 HA PHE A 341 55.924 1.191 -5.938 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.344 -0.810 -7.215 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.508 0.041 -8.738 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.520 -0.534 -5.666 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.480 -0.325 -9.906 1.00 0.00 H new ATOM 0 HE1 PHE A 341 59.882 -1.080 -5.709 1.00 0.00 H new ATOM 0 HE2 PHE A 341 59.857 -0.893 -9.958 1.00 0.00 H new ATOM 0 HZ PHE A 341 61.067 -1.264 -7.857 1.00 0.00 H new ATOM 60 N ASP A 342 57.619 2.687 -6.873 1.00 0.00 N ATOM 61 CA ASP A 342 58.629 3.623 -7.301 1.00 0.00 C ATOM 62 C ASP A 342 59.951 2.921 -7.242 1.00 0.00 C ATOM 63 O ASP A 342 60.466 2.709 -6.164 1.00 0.00 O ATOM 64 CB ASP A 342 58.735 4.912 -6.425 1.00 0.00 C ATOM 65 CG ASP A 342 57.600 5.909 -6.536 1.00 0.00 C ATOM 66 OD1 ASP A 342 57.457 6.557 -7.604 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.880 6.117 -5.554 1.00 0.00 O ATOM 0 H ASP A 342 57.764 2.321 -5.932 1.00 0.00 H new ATOM 0 HA ASP A 342 58.350 3.950 -8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.819 4.608 -5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.662 5.423 -6.684 1.00 0.00 H new ATOM 72 N PRO A 343 60.513 2.485 -8.360 1.00 0.00 N ATOM 73 CA PRO A 343 61.789 1.784 -8.340 1.00 0.00 C ATOM 74 C PRO A 343 62.929 2.620 -7.798 1.00 0.00 C ATOM 75 O PRO A 343 63.693 2.149 -6.965 1.00 0.00 O ATOM 76 CB PRO A 343 62.035 1.391 -9.784 1.00 0.00 C ATOM 77 CG PRO A 343 61.159 2.274 -10.586 1.00 0.00 C ATOM 78 CD PRO A 343 59.960 2.577 -9.726 1.00 0.00 C ATOM 0 HA PRO A 343 61.746 0.927 -7.668 1.00 0.00 H new ATOM 0 HB2 PRO A 343 63.082 1.525 -10.055 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.794 0.341 -9.952 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.680 3.190 -10.863 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.859 1.785 -11.513 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.552 3.567 -9.933 1.00 0.00 H new ATOM 0 HD3 PRO A 343 59.154 1.861 -9.886 1.00 0.00 H new ATOM 86 N ASP A 344 62.992 3.873 -8.212 1.00 0.00 N ATOM 87 CA ASP A 344 64.085 4.775 -7.835 1.00 0.00 C ATOM 88 C ASP A 344 64.161 4.992 -6.359 1.00 0.00 C ATOM 89 O ASP A 344 65.232 5.322 -5.820 1.00 0.00 O ATOM 90 CB ASP A 344 63.938 6.157 -8.478 1.00 0.00 C ATOM 91 CG ASP A 344 64.204 6.222 -9.951 1.00 0.00 C ATOM 92 OD1 ASP A 344 63.981 5.243 -10.667 1.00 0.00 O ATOM 93 OD2 ASP A 344 64.615 7.303 -10.428 1.00 0.00 O ATOM 0 H ASP A 344 62.292 4.301 -8.818 1.00 0.00 H new ATOM 0 HA ASP A 344 64.989 4.280 -8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.925 6.517 -8.294 1.00 0.00 H new ATOM 0 HB3 ASP A 344 64.617 6.845 -7.975 1.00 0.00 H new ATOM 98 N ILE A 345 63.057 4.818 -5.706 1.00 0.00 N ATOM 99 CA ILE A 345 62.959 5.192 -4.326 1.00 0.00 C ATOM 100 C ILE A 345 62.681 3.995 -3.422 1.00 0.00 C ATOM 101 O ILE A 345 63.169 3.937 -2.312 1.00 0.00 O ATOM 102 CB ILE A 345 61.882 6.336 -4.116 1.00 0.00 C ATOM 103 CG1 ILE A 345 60.603 5.833 -3.469 1.00 0.00 C ATOM 104 CG2 ILE A 345 61.561 7.035 -5.429 1.00 0.00 C ATOM 105 CD1 ILE A 345 59.544 6.898 -3.249 1.00 0.00 C ATOM 0 H ILE A 345 62.207 4.419 -6.104 1.00 0.00 H new ATOM 0 HA ILE A 345 63.931 5.589 -4.034 1.00 0.00 H new ATOM 0 HB ILE A 345 62.333 7.052 -3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 345 60.182 5.044 -4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 345 60.851 5.382 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.820 7.815 -5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 345 62.469 7.482 -5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 345 61.164 6.310 -6.140 1.00 0.00 H new ATOM 0 HD11 ILE A 345 58.667 6.448 -2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 345 59.941 7.677 -2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 345 59.262 7.334 -4.207 1.00 0.00 H new ATOM 117 N HIS A 346 61.945 3.036 -3.911 1.00 0.00 N ATOM 118 CA HIS A 346 61.501 1.960 -3.081 1.00 0.00 C ATOM 119 C HIS A 346 62.304 0.694 -3.216 1.00 0.00 C ATOM 120 O HIS A 346 63.309 0.625 -3.912 1.00 0.00 O ATOM 121 CB HIS A 346 59.998 1.705 -3.249 1.00 0.00 C ATOM 122 CG HIS A 346 59.156 2.732 -2.572 1.00 0.00 C ATOM 123 ND1 HIS A 346 58.267 3.513 -3.260 1.00 0.00 N ATOM 124 CD2 HIS A 346 59.101 3.047 -1.262 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.690 4.292 -2.343 1.00 0.00 C ATOM 126 NE2 HIS A 346 58.169 4.036 -1.129 1.00 0.00 N ATOM 0 H HIS A 346 61.641 2.981 -4.883 1.00 0.00 H new ATOM 0 HA HIS A 346 61.679 2.294 -2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.754 1.686 -4.311 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.755 0.721 -2.848 1.00 0.00 H new ATOM 0 HD2 HIS A 346 59.683 2.602 -0.469 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.934 5.033 -2.558 1.00 0.00 H new ATOM 0 HE2 HIS A 346 57.892 4.493 -0.260 1.00 0.00 H new ATOM 134 N CYS A 347 61.839 -0.301 -2.504 1.00 0.00 N ATOM 135 CA CYS A 347 62.489 -1.593 -2.385 1.00 0.00 C ATOM 136 C CYS A 347 62.677 -2.297 -3.737 1.00 0.00 C ATOM 137 O CYS A 347 63.731 -2.845 -3.985 1.00 0.00 O ATOM 138 CB CYS A 347 61.690 -2.452 -1.384 1.00 0.00 C ATOM 139 SG CYS A 347 62.304 -4.156 -0.996 1.00 0.00 S ATOM 0 H CYS A 347 60.971 -0.238 -1.972 1.00 0.00 H new ATOM 0 HA CYS A 347 63.501 -1.443 -2.009 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.631 -1.899 -0.446 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.673 -2.545 -1.764 1.00 0.00 H new ATOM 144 N GLY A 348 61.634 -2.368 -4.541 1.00 0.00 N ATOM 145 CA GLY A 348 61.773 -2.960 -5.876 1.00 0.00 C ATOM 146 C GLY A 348 61.937 -4.456 -5.879 1.00 0.00 C ATOM 147 O GLY A 348 62.032 -5.067 -6.935 1.00 0.00 O ATOM 0 H GLY A 348 60.698 -2.035 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 348 60.895 -2.702 -6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.634 -2.511 -6.371 1.00 0.00 H new ATOM 151 N VAL A 349 61.901 -5.053 -4.710 1.00 0.00 N ATOM 152 CA VAL A 349 62.103 -6.477 -4.619 1.00 0.00 C ATOM 153 C VAL A 349 60.803 -7.058 -4.770 1.00 0.00 C ATOM 154 O VAL A 349 59.915 -6.809 -3.949 1.00 0.00 O ATOM 155 CB VAL A 349 62.733 -6.974 -3.281 1.00 0.00 C ATOM 156 CG1 VAL A 349 62.989 -8.477 -3.320 1.00 0.00 C ATOM 157 CG2 VAL A 349 64.007 -6.246 -2.948 1.00 0.00 C ATOM 0 H VAL A 349 61.736 -4.581 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 349 62.820 -6.771 -5.386 1.00 0.00 H new ATOM 0 HB VAL A 349 62.009 -6.757 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.428 -8.796 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.047 -9.003 -3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 349 63.675 -8.708 -4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.408 -6.626 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.735 -6.404 -3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.802 -5.180 -2.850 1.00 0.00 H new ATOM 167 N ILE A 350 60.657 -7.749 -5.811 1.00 0.00 N ATOM 168 CA ILE A 350 59.451 -8.352 -6.095 1.00 0.00 C ATOM 169 C ILE A 350 59.191 -9.456 -5.120 1.00 0.00 C ATOM 170 O ILE A 350 60.056 -10.301 -4.846 1.00 0.00 O ATOM 171 CB ILE A 350 59.360 -8.758 -7.553 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.334 -7.446 -8.367 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.163 -9.653 -7.788 1.00 0.00 C ATOM 174 CD1 ILE A 350 58.919 -7.549 -9.798 1.00 0.00 C ATOM 0 H ILE A 350 61.390 -7.912 -6.501 1.00 0.00 H new ATOM 0 HA ILE A 350 58.641 -7.634 -5.964 1.00 0.00 H new ATOM 0 HB ILE A 350 60.213 -9.358 -7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.661 -6.750 -7.867 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.330 -7.006 -8.333 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.118 -9.932 -8.841 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.256 -10.552 -7.178 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.252 -9.121 -7.514 1.00 0.00 H new ATOM 0 HD11 ILE A 350 58.943 -6.560 -10.256 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.603 -8.211 -10.329 1.00 0.00 H new ATOM 0 HD13 ILE A 350 57.908 -7.951 -9.855 1.00 0.00 H new ATOM 186 N ASP A 351 58.030 -9.404 -4.573 1.00 0.00 N ATOM 187 CA ASP A 351 57.654 -10.228 -3.480 1.00 0.00 C ATOM 188 C ASP A 351 57.280 -11.558 -4.006 1.00 0.00 C ATOM 189 O ASP A 351 56.599 -11.640 -4.973 1.00 0.00 O ATOM 190 CB ASP A 351 56.475 -9.569 -2.841 1.00 0.00 C ATOM 191 CG ASP A 351 56.090 -10.109 -1.520 1.00 0.00 C ATOM 192 OD1 ASP A 351 56.676 -9.680 -0.506 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.156 -10.912 -1.463 1.00 0.00 O ATOM 0 H ASP A 351 57.294 -8.769 -4.882 1.00 0.00 H new ATOM 0 HA ASP A 351 58.459 -10.354 -2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 351 56.688 -8.506 -2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 351 55.622 -9.656 -3.514 1.00 0.00 H new ATOM 198 N LEU A 352 57.751 -12.586 -3.412 1.00 0.00 N ATOM 199 CA LEU A 352 57.460 -13.915 -3.875 1.00 0.00 C ATOM 200 C LEU A 352 56.084 -14.388 -3.447 1.00 0.00 C ATOM 201 O LEU A 352 55.519 -15.292 -4.056 1.00 0.00 O ATOM 202 CB LEU A 352 58.564 -14.839 -3.426 1.00 0.00 C ATOM 203 CG LEU A 352 59.769 -15.002 -4.366 1.00 0.00 C ATOM 204 CD1 LEU A 352 59.441 -15.957 -5.498 1.00 0.00 C ATOM 205 CD2 LEU A 352 60.208 -13.668 -4.955 1.00 0.00 C ATOM 0 H LEU A 352 58.352 -12.546 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 352 57.427 -13.915 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 352 58.932 -14.483 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 352 58.131 -15.825 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 352 60.586 -15.406 -3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 352 60.308 -16.058 -6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 352 59.181 -16.932 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 352 58.599 -15.568 -6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 352 61.062 -13.825 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 352 59.386 -13.233 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.491 -12.990 -4.150 1.00 0.00 H new ATOM 217 N ASP A 353 55.531 -13.754 -2.437 1.00 0.00 N ATOM 218 CA ASP A 353 54.225 -14.103 -1.962 1.00 0.00 C ATOM 219 C ASP A 353 53.192 -13.484 -2.861 1.00 0.00 C ATOM 220 O ASP A 353 52.320 -14.173 -3.401 1.00 0.00 O ATOM 221 CB ASP A 353 54.006 -13.592 -0.536 1.00 0.00 C ATOM 222 CG ASP A 353 54.895 -14.229 0.488 1.00 0.00 C ATOM 223 OD1 ASP A 353 56.044 -13.761 0.685 1.00 0.00 O ATOM 224 OD2 ASP A 353 54.468 -15.213 1.131 1.00 0.00 O ATOM 0 H ASP A 353 55.976 -12.989 -1.930 1.00 0.00 H new ATOM 0 HA ASP A 353 54.136 -15.189 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.166 -12.514 -0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 353 52.967 -13.764 -0.256 1.00 0.00 H new ATOM 229 N THR A 354 53.304 -12.184 -3.042 1.00 0.00 N ATOM 230 CA THR A 354 52.348 -11.435 -3.827 1.00 0.00 C ATOM 231 C THR A 354 52.725 -11.342 -5.306 1.00 0.00 C ATOM 232 O THR A 354 51.850 -11.221 -6.172 1.00 0.00 O ATOM 233 CB THR A 354 52.121 -10.044 -3.211 1.00 0.00 C ATOM 234 OG1 THR A 354 53.378 -9.400 -3.001 1.00 0.00 O ATOM 235 CG2 THR A 354 51.403 -10.159 -1.883 1.00 0.00 C ATOM 0 H THR A 354 54.058 -11.620 -2.650 1.00 0.00 H new ATOM 0 HA THR A 354 51.409 -11.988 -3.797 1.00 0.00 H new ATOM 0 HB THR A 354 51.510 -9.460 -3.899 1.00 0.00 H new ATOM 0 HG1 THR A 354 53.427 -9.072 -2.079 1.00 0.00 H new ATOM 0 HG21 THR A 354 51.252 -9.164 -1.464 1.00 0.00 H new ATOM 0 HG22 THR A 354 50.437 -10.640 -2.032 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.003 -10.755 -1.195 1.00 0.00 H new ATOM 243 N LYS A 355 54.013 -11.398 -5.579 1.00 0.00 N ATOM 244 CA LYS A 355 54.564 -11.333 -6.932 1.00 0.00 C ATOM 245 C LYS A 355 54.290 -10.059 -7.622 1.00 0.00 C ATOM 246 O LYS A 355 53.669 -9.978 -8.686 1.00 0.00 O ATOM 247 CB LYS A 355 54.395 -12.590 -7.769 1.00 0.00 C ATOM 248 CG LYS A 355 55.375 -13.690 -7.363 1.00 0.00 C ATOM 249 CD LYS A 355 56.834 -13.329 -7.697 1.00 0.00 C ATOM 250 CE LYS A 355 57.103 -13.306 -9.199 1.00 0.00 C ATOM 251 NZ LYS A 355 57.102 -14.667 -9.769 1.00 0.00 N ATOM 0 H LYS A 355 54.727 -11.492 -4.856 1.00 0.00 H new ATOM 0 HA LYS A 355 55.644 -11.321 -6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 355 53.374 -12.959 -7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 355 54.541 -12.346 -8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 355 55.285 -13.876 -6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 355 55.108 -14.617 -7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 355 57.069 -12.352 -7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 355 57.500 -14.050 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 355 56.345 -12.701 -9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 355 58.065 -12.831 -9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 57.420 -14.629 -10.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 57.746 -15.273 -9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 56.140 -15.059 -9.729 1.00 0.00 H new ATOM 265 N LYS A 356 54.694 -9.070 -6.923 1.00 0.00 N ATOM 266 CA LYS A 356 54.636 -7.713 -7.293 1.00 0.00 C ATOM 267 C LYS A 356 55.743 -7.006 -6.571 1.00 0.00 C ATOM 268 O LYS A 356 56.312 -7.588 -5.643 1.00 0.00 O ATOM 269 CB LYS A 356 53.235 -7.205 -6.992 1.00 0.00 C ATOM 270 CG LYS A 356 52.719 -7.342 -5.574 1.00 0.00 C ATOM 271 CD LYS A 356 53.108 -6.200 -4.667 1.00 0.00 C ATOM 272 CE LYS A 356 52.364 -6.287 -3.341 1.00 0.00 C ATOM 273 NZ LYS A 356 50.885 -6.294 -3.522 1.00 0.00 N ATOM 0 H LYS A 356 55.108 -9.201 -6.000 1.00 0.00 H new ATOM 0 HA LYS A 356 54.796 -7.535 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.198 -6.149 -7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.542 -7.727 -7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 356 51.632 -7.418 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 356 53.094 -8.273 -5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 356 54.183 -6.221 -4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 356 52.884 -5.251 -5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 356 52.668 -7.192 -2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 356 52.647 -5.443 -2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 50.427 -5.951 -2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 50.630 -5.673 -4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 50.564 -7.263 -3.723 1.00 0.00 H new ATOM 287 N PRO A 357 56.111 -5.792 -6.975 1.00 0.00 N ATOM 288 CA PRO A 357 57.226 -5.119 -6.405 1.00 0.00 C ATOM 289 C PRO A 357 57.003 -4.657 -5.023 1.00 0.00 C ATOM 290 O PRO A 357 55.988 -4.932 -4.381 1.00 0.00 O ATOM 291 CB PRO A 357 57.519 -3.966 -7.304 1.00 0.00 C ATOM 292 CG PRO A 357 56.368 -3.798 -8.214 1.00 0.00 C ATOM 293 CD PRO A 357 55.438 -4.983 -7.984 1.00 0.00 C ATOM 0 HA PRO A 357 58.063 -5.813 -6.330 1.00 0.00 H new ATOM 0 HB2 PRO A 357 57.681 -3.059 -6.721 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.432 -4.147 -7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 357 55.852 -2.859 -8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 357 56.699 -3.764 -9.252 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.457 -4.655 -7.639 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.281 -5.547 -8.903 1.00 0.00 H new ATOM 301 N CYS A 358 57.924 -3.919 -4.548 1.00 0.00 N ATOM 302 CA CYS A 358 57.892 -3.657 -3.246 1.00 0.00 C ATOM 303 C CYS A 358 58.079 -2.250 -2.954 1.00 0.00 C ATOM 304 O CYS A 358 59.205 -1.753 -2.903 1.00 0.00 O ATOM 305 CB CYS A 358 58.890 -4.445 -2.592 1.00 0.00 C ATOM 306 SG CYS A 358 58.700 -4.424 -0.841 1.00 0.00 S ATOM 0 H CYS A 358 58.693 -3.504 -5.075 1.00 0.00 H new ATOM 0 HA CYS A 358 56.901 -3.916 -2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 358 58.834 -5.473 -2.951 1.00 0.00 H new ATOM 0 HB3 CYS A 358 59.879 -4.069 -2.854 1.00 0.00 H new ATOM 311 N THR A 359 57.026 -1.612 -2.787 1.00 0.00 N ATOM 312 CA THR A 359 57.044 -0.263 -2.383 1.00 0.00 C ATOM 313 C THR A 359 56.661 -0.183 -0.893 1.00 0.00 C ATOM 314 O THR A 359 55.615 0.311 -0.501 1.00 0.00 O ATOM 315 CB THR A 359 56.182 0.624 -3.359 1.00 0.00 C ATOM 316 OG1 THR A 359 56.059 1.972 -2.955 1.00 0.00 O ATOM 317 CG2 THR A 359 54.819 0.026 -3.577 1.00 0.00 C ATOM 0 H THR A 359 56.093 -2.001 -2.925 1.00 0.00 H new ATOM 0 HA THR A 359 58.045 0.162 -2.458 1.00 0.00 H new ATOM 0 HB THR A 359 56.733 0.632 -4.299 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.709 2.520 -3.442 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.248 0.660 -4.255 1.00 0.00 H new ATOM 0 HG22 THR A 359 54.923 -0.968 -4.012 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.297 -0.048 -2.623 1.00 0.00 H new ATOM 325 N ARG A 360 57.492 -0.852 -0.087 1.00 0.00 N ATOM 326 CA ARG A 360 57.380 -0.784 1.343 1.00 0.00 C ATOM 327 C ARG A 360 58.102 0.424 1.817 1.00 0.00 C ATOM 328 O ARG A 360 57.511 1.361 2.332 1.00 0.00 O ATOM 329 CB ARG A 360 57.949 -2.038 2.002 1.00 0.00 C ATOM 330 CG ARG A 360 56.968 -3.187 2.023 1.00 0.00 C ATOM 331 CD ARG A 360 56.877 -3.761 3.411 1.00 0.00 C ATOM 332 NE ARG A 360 55.877 -4.816 3.535 1.00 0.00 N ATOM 333 CZ ARG A 360 55.049 -4.961 4.586 1.00 0.00 C ATOM 334 NH1 ARG A 360 55.047 -4.065 5.568 1.00 0.00 N ATOM 335 NH2 ARG A 360 54.244 -6.005 4.648 1.00 0.00 N ATOM 0 H ARG A 360 58.250 -1.447 -0.421 1.00 0.00 H new ATOM 0 HA ARG A 360 56.327 -0.722 1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.850 -2.345 1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 360 58.247 -1.802 3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 360 55.986 -2.844 1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 360 57.284 -3.959 1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 360 57.851 -4.158 3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.640 -2.961 4.113 1.00 0.00 H new ATOM 0 HE ARG A 360 55.800 -5.490 2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 360 55.675 -3.262 5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 360 54.417 -4.180 6.362 1.00 0.00 H new ATOM 0 HH21 ARG A 360 54.251 -6.699 3.901 1.00 0.00 H new ATOM 0 HH22 ARG A 360 53.615 -6.118 5.443 1.00 0.00 H new ATOM 349 N SER A 361 59.378 0.411 1.568 1.00 0.00 N ATOM 350 CA SER A 361 60.248 1.466 1.921 1.00 0.00 C ATOM 351 C SER A 361 61.596 1.155 1.384 1.00 0.00 C ATOM 352 O SER A 361 61.805 0.079 0.735 1.00 0.00 O ATOM 353 CB SER A 361 60.322 1.613 3.436 1.00 0.00 C ATOM 354 OG SER A 361 60.679 0.372 4.023 1.00 0.00 O ATOM 0 H SER A 361 59.846 -0.364 1.098 1.00 0.00 H new ATOM 0 HA SER A 361 59.877 2.403 1.505 1.00 0.00 H new ATOM 0 HB2 SER A 361 61.055 2.375 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.360 1.946 3.825 1.00 0.00 H new ATOM 0 HG SER A 361 60.727 0.472 4.997 1.00 0.00 H new ATOM 360 N LEU A 362 62.504 2.035 1.695 1.00 0.00 N ATOM 361 CA LEU A 362 63.872 1.961 1.319 1.00 0.00 C ATOM 362 C LEU A 362 64.595 1.046 2.308 1.00 0.00 C ATOM 363 O LEU A 362 65.729 0.684 2.120 1.00 0.00 O ATOM 364 CB LEU A 362 64.489 3.379 1.382 1.00 0.00 C ATOM 365 CG LEU A 362 63.842 4.504 0.507 1.00 0.00 C ATOM 366 CD1 LEU A 362 62.487 4.970 1.021 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.773 5.695 0.323 1.00 0.00 C ATOM 0 H LEU A 362 62.290 2.865 2.248 1.00 0.00 H new ATOM 0 HA LEU A 362 63.969 1.568 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.463 3.708 2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.539 3.299 1.099 1.00 0.00 H new ATOM 0 HG LEU A 362 63.673 4.041 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 362 62.098 5.750 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 362 61.794 4.129 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 362 62.597 5.366 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 362 64.281 6.450 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 362 65.016 6.121 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 362 65.689 5.368 -0.169 1.00 0.00 H new ATOM 379 N THR A 363 63.879 0.663 3.338 1.00 0.00 N ATOM 380 CA THR A 363 64.390 -0.128 4.423 1.00 0.00 C ATOM 381 C THR A 363 63.356 -1.246 4.688 1.00 0.00 C ATOM 382 O THR A 363 62.990 -1.553 5.801 1.00 0.00 O ATOM 383 CB THR A 363 64.577 0.822 5.653 1.00 0.00 C ATOM 384 OG1 THR A 363 65.304 0.236 6.733 1.00 0.00 O ATOM 385 CG2 THR A 363 63.253 1.347 6.162 1.00 0.00 C ATOM 0 H THR A 363 62.893 0.903 3.444 1.00 0.00 H new ATOM 0 HA THR A 363 65.353 -0.590 4.208 1.00 0.00 H new ATOM 0 HB THR A 363 65.177 1.649 5.274 1.00 0.00 H new ATOM 0 HG1 THR A 363 65.794 -0.549 6.410 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.425 2.002 7.016 1.00 0.00 H new ATOM 0 HG22 THR A 363 62.755 1.906 5.370 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.623 0.511 6.467 1.00 0.00 H new ATOM 393 N CYS A 364 62.883 -1.817 3.597 1.00 0.00 N ATOM 394 CA CYS A 364 61.915 -2.902 3.618 1.00 0.00 C ATOM 395 C CYS A 364 62.303 -4.025 4.600 1.00 0.00 C ATOM 396 O CYS A 364 63.306 -4.707 4.405 1.00 0.00 O ATOM 397 CB CYS A 364 61.865 -3.500 2.282 1.00 0.00 C ATOM 398 SG CYS A 364 60.842 -4.953 2.205 1.00 0.00 S ATOM 0 H CYS A 364 63.163 -1.538 2.657 1.00 0.00 H new ATOM 0 HA CYS A 364 60.960 -2.480 3.931 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.490 -2.761 1.574 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.876 -3.758 1.968 1.00 0.00 H new ATOM 403 N LYS A 365 61.446 -4.262 5.542 1.00 0.00 N ATOM 404 CA LYS A 365 61.644 -5.145 6.646 1.00 0.00 C ATOM 405 C LYS A 365 61.352 -6.591 6.276 1.00 0.00 C ATOM 406 O LYS A 365 61.796 -7.522 6.942 1.00 0.00 O ATOM 407 CB LYS A 365 60.698 -4.634 7.720 1.00 0.00 C ATOM 408 CG LYS A 365 60.736 -5.316 9.044 1.00 0.00 C ATOM 409 CD LYS A 365 59.876 -4.558 10.053 1.00 0.00 C ATOM 410 CE LYS A 365 58.384 -4.521 9.666 1.00 0.00 C ATOM 411 NZ LYS A 365 57.760 -5.857 9.733 1.00 0.00 N ATOM 0 H LYS A 365 60.530 -3.814 5.561 1.00 0.00 H new ATOM 0 HA LYS A 365 62.681 -5.149 6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 365 60.908 -3.576 7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 365 59.681 -4.703 7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 365 60.375 -6.340 8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 365 61.764 -5.374 9.402 1.00 0.00 H new ATOM 0 HD2 LYS A 365 59.980 -5.024 11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 365 60.247 -3.537 10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 365 57.854 -3.840 10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 365 58.282 -4.124 8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 56.746 -5.778 9.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 58.215 -6.488 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 57.879 -6.248 10.689 1.00 0.00 H new ATOM 425 N THR A 366 60.676 -6.766 5.191 1.00 0.00 N ATOM 426 CA THR A 366 60.241 -8.058 4.768 1.00 0.00 C ATOM 427 C THR A 366 61.406 -8.808 4.152 1.00 0.00 C ATOM 428 O THR A 366 61.711 -9.962 4.460 1.00 0.00 O ATOM 429 CB THR A 366 59.287 -7.845 3.633 1.00 0.00 C ATOM 430 OG1 THR A 366 58.332 -6.824 3.945 1.00 0.00 O ATOM 431 CG2 THR A 366 58.628 -9.128 3.172 1.00 0.00 C ATOM 0 H THR A 366 60.406 -6.008 4.564 1.00 0.00 H new ATOM 0 HA THR A 366 59.816 -8.597 5.614 1.00 0.00 H new ATOM 0 HB THR A 366 59.875 -7.495 2.784 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.722 -6.704 3.187 1.00 0.00 H new ATOM 0 HG21 THR A 366 57.948 -8.912 2.348 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.392 -9.830 2.837 1.00 0.00 H new ATOM 0 HG23 THR A 366 58.069 -9.567 3.998 1.00 0.00 H new ATOM 439 N HIS A 367 62.045 -8.084 3.297 1.00 0.00 N ATOM 440 CA HIS A 367 63.046 -8.572 2.416 1.00 0.00 C ATOM 441 C HIS A 367 64.387 -8.350 3.019 1.00 0.00 C ATOM 442 O HIS A 367 64.585 -7.341 3.674 1.00 0.00 O ATOM 443 CB HIS A 367 62.886 -7.845 1.052 1.00 0.00 C ATOM 444 CG HIS A 367 61.707 -8.330 0.190 1.00 0.00 C ATOM 445 ND1 HIS A 367 60.835 -7.449 -0.452 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.345 -9.599 -0.115 1.00 0.00 C ATOM 447 CE1 HIS A 367 59.969 -8.246 -1.128 1.00 0.00 C ATOM 448 NE2 HIS A 367 60.258 -9.535 -0.937 1.00 0.00 N ATOM 0 H HIS A 367 61.873 -7.084 3.190 1.00 0.00 H new ATOM 0 HA HIS A 367 62.941 -9.644 2.251 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.765 -6.778 1.238 1.00 0.00 H new ATOM 0 HB3 HIS A 367 63.807 -7.967 0.482 1.00 0.00 H new ATOM 0 HD2 HIS A 367 61.830 -10.500 0.231 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.155 -7.885 -1.739 1.00 0.00 H new ATOM 0 HE2 HIS A 367 59.756 -10.329 -1.334 1.00 0.00 H new ATOM 456 N SER A 368 65.282 -9.285 2.825 1.00 0.00 N ATOM 457 CA SER A 368 66.584 -9.187 3.390 1.00 0.00 C ATOM 458 C SER A 368 67.491 -8.304 2.618 1.00 0.00 C ATOM 459 O SER A 368 67.288 -8.078 1.423 1.00 0.00 O ATOM 460 CB SER A 368 67.182 -10.537 3.644 1.00 0.00 C ATOM 461 OG SER A 368 67.113 -11.340 2.506 1.00 0.00 O ATOM 0 H SER A 368 65.121 -10.127 2.273 1.00 0.00 H new ATOM 0 HA SER A 368 66.460 -8.702 4.358 1.00 0.00 H new ATOM 0 HB2 SER A 368 68.222 -10.425 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.657 -11.022 4.467 1.00 0.00 H new ATOM 0 HG SER A 368 67.511 -12.215 2.698 1.00 0.00 H new ATOM 467 N LEU A 369 68.482 -7.804 3.315 1.00 0.00 N ATOM 468 CA LEU A 369 69.466 -6.869 2.836 1.00 0.00 C ATOM 469 C LEU A 369 70.010 -7.234 1.482 1.00 0.00 C ATOM 470 O LEU A 369 70.041 -6.383 0.571 1.00 0.00 O ATOM 471 CB LEU A 369 70.568 -6.745 3.910 1.00 0.00 C ATOM 472 CG LEU A 369 71.788 -5.837 3.636 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.830 -6.566 2.812 1.00 0.00 C ATOM 474 CD2 LEU A 369 71.356 -4.588 2.897 1.00 0.00 C ATOM 0 H LEU A 369 68.630 -8.056 4.292 1.00 0.00 H new ATOM 0 HA LEU A 369 68.997 -5.897 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 369 70.095 -6.392 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.944 -7.748 4.112 1.00 0.00 H new ATOM 0 HG LEU A 369 72.223 -5.563 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.679 -5.906 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 369 73.166 -7.451 3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.395 -6.866 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 369 72.225 -3.957 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.899 -4.867 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.633 -4.040 3.501 1.00 0.00 H new ATOM 486 N THR A 370 70.354 -8.477 1.310 1.00 0.00 N ATOM 487 CA THR A 370 70.964 -8.894 0.076 1.00 0.00 C ATOM 488 C THR A 370 69.969 -8.766 -1.076 1.00 0.00 C ATOM 489 O THR A 370 70.334 -8.402 -2.176 1.00 0.00 O ATOM 490 CB THR A 370 71.508 -10.329 0.162 1.00 0.00 C ATOM 491 OG1 THR A 370 72.399 -10.434 1.301 1.00 0.00 O ATOM 492 CG2 THR A 370 72.274 -10.655 -1.101 1.00 0.00 C ATOM 0 H THR A 370 70.225 -9.216 2.001 1.00 0.00 H new ATOM 0 HA THR A 370 71.812 -8.236 -0.112 1.00 0.00 H new ATOM 0 HB THR A 370 70.679 -11.027 0.276 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.747 -11.348 1.361 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.660 -11.673 -1.040 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.610 -10.569 -1.961 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.105 -9.958 -1.213 1.00 0.00 H new ATOM 500 N GLN A 371 68.701 -8.930 -0.760 1.00 0.00 N ATOM 501 CA GLN A 371 67.660 -8.949 -1.773 1.00 0.00 C ATOM 502 C GLN A 371 67.412 -7.547 -2.255 1.00 0.00 C ATOM 503 O GLN A 371 67.087 -7.329 -3.422 1.00 0.00 O ATOM 504 CB GLN A 371 66.368 -9.534 -1.224 1.00 0.00 C ATOM 505 CG GLN A 371 66.591 -10.739 -0.347 1.00 0.00 C ATOM 506 CD GLN A 371 65.345 -11.536 -0.061 1.00 0.00 C ATOM 507 OE1 GLN A 371 65.389 -12.742 0.091 1.00 0.00 O ATOM 508 NE2 GLN A 371 64.242 -10.862 0.066 1.00 0.00 N ATOM 0 H GLN A 371 68.363 -9.053 0.194 1.00 0.00 H new ATOM 0 HA GLN A 371 67.994 -9.577 -2.599 1.00 0.00 H new ATOM 0 HB2 GLN A 371 65.843 -8.768 -0.653 1.00 0.00 H new ATOM 0 HB3 GLN A 371 65.720 -9.812 -2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.324 -11.390 -0.824 1.00 0.00 H new ATOM 0 HG3 GLN A 371 67.024 -10.411 0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 371 64.244 -9.851 -0.069 1.00 0.00 H new ATOM 0 HE22 GLN A 371 63.374 -11.344 0.301 1.00 0.00 H new ATOM 517 N ARG A 372 67.578 -6.579 -1.348 1.00 0.00 N ATOM 518 CA ARG A 372 67.424 -5.194 -1.730 1.00 0.00 C ATOM 519 C ARG A 372 68.594 -4.778 -2.596 1.00 0.00 C ATOM 520 O ARG A 372 68.411 -4.104 -3.600 1.00 0.00 O ATOM 521 CB ARG A 372 67.344 -4.203 -0.566 1.00 0.00 C ATOM 522 CG ARG A 372 66.159 -4.282 0.384 1.00 0.00 C ATOM 523 CD ARG A 372 66.355 -5.355 1.386 1.00 0.00 C ATOM 524 NE ARG A 372 65.823 -5.031 2.680 1.00 0.00 N ATOM 525 CZ ARG A 372 66.551 -4.734 3.774 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.811 -4.307 3.673 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.983 -4.809 4.944 1.00 0.00 N ATOM 0 H ARG A 372 67.814 -6.735 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 372 66.469 -5.152 -2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.251 -4.317 0.028 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.363 -3.198 -0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 372 66.029 -3.325 0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.246 -4.469 -0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.883 -6.269 1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.421 -5.563 1.481 1.00 0.00 H new ATOM 0 HE ARG A 372 64.808 -5.025 2.779 1.00 0.00 H new ATOM 0 HH11 ARG A 372 68.241 -4.200 2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 372 68.344 -4.088 4.514 1.00 0.00 H new ATOM 0 HH21 ARG A 372 65.005 -5.088 5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.516 -4.588 5.785 1.00 0.00 H new ATOM 541 N ARG A 373 69.805 -5.188 -2.186 1.00 0.00 N ATOM 542 CA ARG A 373 71.019 -4.859 -2.926 1.00 0.00 C ATOM 543 C ARG A 373 71.007 -5.488 -4.309 1.00 0.00 C ATOM 544 O ARG A 373 71.430 -4.875 -5.292 1.00 0.00 O ATOM 545 CB ARG A 373 72.245 -5.344 -2.171 1.00 0.00 C ATOM 546 CG ARG A 373 72.673 -4.489 -1.010 1.00 0.00 C ATOM 547 CD ARG A 373 73.925 -5.060 -0.379 1.00 0.00 C ATOM 548 NE ARG A 373 74.542 -4.149 0.581 1.00 0.00 N ATOM 549 CZ ARG A 373 75.444 -4.492 1.499 1.00 0.00 C ATOM 550 NH1 ARG A 373 75.848 -5.756 1.617 1.00 0.00 N ATOM 551 NH2 ARG A 373 75.929 -3.569 2.296 1.00 0.00 N ATOM 0 H ARG A 373 69.962 -5.746 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 373 71.056 -3.775 -3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.049 -6.352 -1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.076 -5.416 -2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.859 -3.469 -1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.874 -4.439 -0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.679 -5.996 0.122 1.00 0.00 H new ATOM 0 HD3 ARG A 373 74.645 -5.297 -1.162 1.00 0.00 H new ATOM 0 HE ARG A 373 74.259 -3.170 0.546 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.466 -6.473 1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 373 76.539 -6.007 2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 373 75.615 -2.603 2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 373 76.620 -3.818 3.003 1.00 0.00 H new ATOM 565 N ALA A 374 70.521 -6.706 -4.364 1.00 0.00 N ATOM 566 CA ALA A 374 70.447 -7.481 -5.596 1.00 0.00 C ATOM 567 C ALA A 374 69.548 -6.849 -6.653 1.00 0.00 C ATOM 568 O ALA A 374 69.853 -6.906 -7.852 1.00 0.00 O ATOM 569 CB ALA A 374 69.981 -8.891 -5.307 1.00 0.00 C ATOM 0 H ALA A 374 70.159 -7.199 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 374 71.457 -7.498 -6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 374 69.931 -9.456 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.682 -9.374 -4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 374 68.993 -8.861 -4.848 1.00 0.00 H new ATOM 575 N VAL A 375 68.456 -6.248 -6.229 1.00 0.00 N ATOM 576 CA VAL A 375 67.525 -5.679 -7.176 1.00 0.00 C ATOM 577 C VAL A 375 67.930 -4.267 -7.580 1.00 0.00 C ATOM 578 O VAL A 375 67.990 -3.338 -6.755 1.00 0.00 O ATOM 579 CB VAL A 375 66.039 -5.719 -6.688 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.825 -4.890 -5.432 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.100 -5.262 -7.795 1.00 0.00 C ATOM 0 H VAL A 375 68.195 -6.142 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 375 67.575 -6.317 -8.059 1.00 0.00 H new ATOM 0 HB VAL A 375 65.811 -6.754 -6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.779 -4.948 -5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.455 -5.275 -4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.087 -3.851 -5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.071 -5.297 -7.437 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.349 -4.241 -8.085 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.206 -5.920 -8.657 1.00 0.00 H new ATOM 591 N GLN A 376 68.194 -4.100 -8.842 1.00 0.00 N ATOM 592 CA GLN A 376 68.533 -2.808 -9.380 1.00 0.00 C ATOM 593 C GLN A 376 67.267 -1.997 -9.679 1.00 0.00 C ATOM 594 O GLN A 376 66.936 -1.701 -10.823 1.00 0.00 O ATOM 595 CB GLN A 376 69.467 -2.932 -10.590 1.00 0.00 C ATOM 596 CG GLN A 376 69.000 -3.923 -11.650 1.00 0.00 C ATOM 597 CD GLN A 376 69.935 -4.000 -12.843 1.00 0.00 C ATOM 598 OE1 GLN A 376 69.508 -4.245 -13.973 1.00 0.00 O ATOM 599 NE2 GLN A 376 71.210 -3.842 -12.608 1.00 0.00 N ATOM 0 H GLN A 376 68.182 -4.853 -9.530 1.00 0.00 H new ATOM 0 HA GLN A 376 69.092 -2.253 -8.626 1.00 0.00 H new ATOM 0 HB2 GLN A 376 69.576 -1.950 -11.051 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.455 -3.231 -10.241 1.00 0.00 H new ATOM 0 HG2 GLN A 376 68.911 -4.912 -11.201 1.00 0.00 H new ATOM 0 HG3 GLN A 376 68.005 -3.638 -11.993 1.00 0.00 H new ATOM 0 HE21 GLN A 376 71.533 -3.640 -11.662 1.00 0.00 H new ATOM 0 HE22 GLN A 376 71.883 -3.921 -13.371 1.00 0.00 H new ATOM 608 N GLY A 377 66.522 -1.745 -8.628 1.00 0.00 N ATOM 609 CA GLY A 377 65.316 -0.965 -8.721 1.00 0.00 C ATOM 610 C GLY A 377 65.627 0.487 -8.656 1.00 0.00 C ATOM 611 O GLY A 377 65.240 1.265 -9.522 1.00 0.00 O ATOM 0 H GLY A 377 66.737 -2.076 -7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.801 -1.191 -9.655 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.639 -1.234 -7.911 1.00 0.00 H new ATOM 615 N ARG A 378 66.352 0.839 -7.634 1.00 0.00 N ATOM 616 CA ARG A 378 66.748 2.197 -7.366 1.00 0.00 C ATOM 617 C ARG A 378 67.710 2.667 -8.426 1.00 0.00 C ATOM 618 O ARG A 378 68.334 1.859 -9.118 1.00 0.00 O ATOM 619 CB ARG A 378 67.443 2.233 -6.044 1.00 0.00 C ATOM 620 CG ARG A 378 66.661 1.600 -4.920 1.00 0.00 C ATOM 621 CD ARG A 378 67.615 1.041 -3.944 1.00 0.00 C ATOM 622 NE ARG A 378 66.932 0.069 -3.182 1.00 0.00 N ATOM 623 CZ ARG A 378 66.748 -1.166 -3.624 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.185 -1.504 -4.846 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.135 -2.046 -2.874 1.00 0.00 N ATOM 0 H ARG A 378 66.695 0.172 -6.943 1.00 0.00 H new ATOM 0 HA ARG A 378 65.869 2.841 -7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.403 1.724 -6.136 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.655 3.270 -5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 378 66.019 2.340 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 378 66.010 0.815 -5.306 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.468 0.595 -4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 378 68.006 1.827 -3.298 1.00 0.00 H new ATOM 0 HE ARG A 378 66.569 0.325 -2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.656 -0.812 -5.429 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.047 -2.453 -5.193 1.00 0.00 H new ATOM 0 HH21 ARG A 378 65.798 -1.781 -1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 378 65.994 -2.997 -3.215 1.00 0.00 H new ATOM 639 N ARG A 379 67.883 3.952 -8.510 1.00 0.00 N ATOM 640 CA ARG A 379 68.736 4.521 -9.529 1.00 0.00 C ATOM 641 C ARG A 379 70.194 4.538 -9.102 1.00 0.00 C ATOM 642 O ARG A 379 71.084 4.842 -9.890 1.00 0.00 O ATOM 643 CB ARG A 379 68.239 5.910 -9.910 1.00 0.00 C ATOM 644 CG ARG A 379 68.275 6.981 -8.842 1.00 0.00 C ATOM 645 CD ARG A 379 67.428 8.121 -9.332 1.00 0.00 C ATOM 646 NE ARG A 379 67.330 9.264 -8.435 1.00 0.00 N ATOM 647 CZ ARG A 379 66.212 9.984 -8.294 1.00 0.00 C ATOM 648 NH1 ARG A 379 65.087 9.612 -8.930 1.00 0.00 N ATOM 649 NH2 ARG A 379 66.208 11.057 -7.516 1.00 0.00 N ATOM 0 H ARG A 379 67.448 4.633 -7.888 1.00 0.00 H new ATOM 0 HA ARG A 379 68.684 3.885 -10.413 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.831 6.259 -10.756 1.00 0.00 H new ATOM 0 HB3 ARG A 379 67.210 5.816 -10.258 1.00 0.00 H new ATOM 0 HG2 ARG A 379 67.893 6.596 -7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 379 69.298 7.311 -8.661 1.00 0.00 H new ATOM 0 HD2 ARG A 379 67.829 8.464 -10.286 1.00 0.00 H new ATOM 0 HD3 ARG A 379 66.423 7.746 -9.525 1.00 0.00 H new ATOM 0 HE ARG A 379 68.151 9.527 -7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 379 65.086 8.780 -9.520 1.00 0.00 H new ATOM 0 HH12 ARG A 379 64.235 10.162 -8.822 1.00 0.00 H new ATOM 0 HH21 ARG A 379 67.058 11.334 -7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 379 65.355 11.606 -7.409 1.00 0.00 H new ATOM 663 N LYS A 380 70.421 4.187 -7.862 1.00 0.00 N ATOM 664 CA LYS A 380 71.703 4.208 -7.253 1.00 0.00 C ATOM 665 C LYS A 380 71.859 2.862 -6.574 1.00 0.00 C ATOM 666 O LYS A 380 70.957 2.009 -6.696 1.00 0.00 O ATOM 667 CB LYS A 380 71.655 5.259 -6.174 1.00 0.00 C ATOM 668 CG LYS A 380 71.010 6.548 -6.583 1.00 0.00 C ATOM 669 CD LYS A 380 70.571 7.325 -5.378 1.00 0.00 C ATOM 670 CE LYS A 380 69.796 8.543 -5.802 1.00 0.00 C ATOM 671 NZ LYS A 380 69.335 9.342 -4.642 1.00 0.00 N ATOM 0 H LYS A 380 69.682 3.869 -7.235 1.00 0.00 H new ATOM 0 HA LYS A 380 72.506 4.406 -7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 380 71.117 4.855 -5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.672 5.467 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.711 7.142 -7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 380 70.152 6.344 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 380 69.954 6.697 -4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 380 71.440 7.623 -4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 380 70.420 9.164 -6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 380 68.935 8.236 -6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 68.806 10.171 -4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 68.718 8.758 -4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 70.157 9.658 -4.089 1.00 0.00 H new ATOM 685 N ARG A 381 72.968 2.649 -5.878 1.00 0.00 N ATOM 686 CA ARG A 381 73.119 1.450 -5.042 1.00 0.00 C ATOM 687 C ARG A 381 72.043 1.434 -4.000 1.00 0.00 C ATOM 688 O ARG A 381 71.466 2.471 -3.668 1.00 0.00 O ATOM 689 CB ARG A 381 74.481 1.389 -4.315 1.00 0.00 C ATOM 690 CG ARG A 381 75.686 1.336 -5.212 1.00 0.00 C ATOM 691 CD ARG A 381 75.465 0.362 -6.326 1.00 0.00 C ATOM 692 NE ARG A 381 75.197 -1.005 -5.867 1.00 0.00 N ATOM 693 CZ ARG A 381 74.249 -1.801 -6.393 1.00 0.00 C ATOM 694 NH1 ARG A 381 73.448 -1.338 -7.355 1.00 0.00 N ATOM 695 NH2 ARG A 381 74.094 -3.043 -5.953 1.00 0.00 N ATOM 0 H ARG A 381 73.771 3.278 -5.870 1.00 0.00 H new ATOM 0 HA ARG A 381 73.051 0.592 -5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.568 2.262 -3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.490 0.511 -3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.887 2.326 -5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 381 76.564 1.045 -4.635 1.00 0.00 H new ATOM 0 HD2 ARG A 381 74.627 0.703 -6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 381 76.344 0.354 -6.970 1.00 0.00 H new ATOM 0 HE ARG A 381 75.763 -1.374 -5.103 1.00 0.00 H new ATOM 0 HH11 ARG A 381 73.555 -0.381 -7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 381 72.729 -1.941 -7.754 1.00 0.00 H new ATOM 0 HH21 ARG A 381 74.696 -3.400 -5.211 1.00 0.00 H new ATOM 0 HH22 ARG A 381 73.373 -3.641 -6.357 1.00 0.00 H new ATOM 709 N PHE A 382 71.781 0.299 -3.463 1.00 0.00 N ATOM 710 CA PHE A 382 70.789 0.208 -2.446 1.00 0.00 C ATOM 711 C PHE A 382 71.270 0.866 -1.174 1.00 0.00 C ATOM 712 O PHE A 382 70.523 1.550 -0.500 1.00 0.00 O ATOM 713 CB PHE A 382 70.379 -1.238 -2.194 1.00 0.00 C ATOM 714 CG PHE A 382 69.659 -1.407 -0.896 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.439 -0.828 -0.706 1.00 0.00 C ATOM 716 CD2 PHE A 382 70.232 -2.087 0.144 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.786 -0.920 0.471 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.590 -2.174 1.341 1.00 0.00 C ATOM 719 CZ PHE A 382 68.358 -1.588 1.501 1.00 0.00 C ATOM 0 H PHE A 382 72.236 -0.581 -3.707 1.00 0.00 H new ATOM 0 HA PHE A 382 69.904 0.741 -2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.740 -1.579 -3.008 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.266 -1.871 -2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 382 67.984 -0.282 -1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 382 71.196 -2.556 0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.814 -0.464 0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 382 70.048 -2.703 2.164 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.845 -1.660 2.449 1.00 0.00 H new ATOM 729 N ASP A 383 72.507 0.702 -0.907 1.00 0.00 N ATOM 730 CA ASP A 383 73.104 1.184 0.327 1.00 0.00 C ATOM 731 C ASP A 383 73.124 2.690 0.354 1.00 0.00 C ATOM 732 O ASP A 383 72.801 3.314 1.363 1.00 0.00 O ATOM 733 CB ASP A 383 74.515 0.684 0.452 1.00 0.00 C ATOM 734 CG ASP A 383 74.630 -0.810 0.435 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.537 -1.433 1.501 1.00 0.00 O ATOM 736 OD2 ASP A 383 74.809 -1.387 -0.658 1.00 0.00 O ATOM 0 H ASP A 383 73.161 0.228 -1.529 1.00 0.00 H new ATOM 0 HA ASP A 383 72.503 0.812 1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.110 1.094 -0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 383 74.944 1.062 1.380 1.00 0.00 H new ATOM 741 N VAL A 384 73.496 3.261 -0.765 1.00 0.00 N ATOM 742 CA VAL A 384 73.581 4.697 -0.935 1.00 0.00 C ATOM 743 C VAL A 384 72.182 5.305 -0.857 1.00 0.00 C ATOM 744 O VAL A 384 71.982 6.411 -0.365 1.00 0.00 O ATOM 745 CB VAL A 384 74.257 5.006 -2.287 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.349 4.842 -3.464 1.00 0.00 C ATOM 747 CG2 VAL A 384 75.007 6.313 -2.309 1.00 0.00 C ATOM 0 H VAL A 384 73.753 2.735 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 384 74.183 5.138 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 384 75.017 4.232 -2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 384 73.893 5.076 -4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 384 72.992 3.813 -3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.499 5.517 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.454 6.459 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.318 7.131 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.792 6.295 -1.553 1.00 0.00 H new ATOM 757 N LEU A 385 71.237 4.544 -1.330 1.00 0.00 N ATOM 758 CA LEU A 385 69.874 4.871 -1.313 1.00 0.00 C ATOM 759 C LEU A 385 69.364 4.819 0.124 1.00 0.00 C ATOM 760 O LEU A 385 68.663 5.721 0.583 1.00 0.00 O ATOM 761 CB LEU A 385 69.167 3.855 -2.217 1.00 0.00 C ATOM 762 CG LEU A 385 67.717 4.045 -2.511 1.00 0.00 C ATOM 763 CD1 LEU A 385 66.921 3.466 -1.371 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.436 5.524 -2.738 1.00 0.00 C ATOM 0 H LEU A 385 71.425 3.636 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 385 69.682 5.879 -1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.697 3.834 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.286 2.871 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 385 67.424 3.524 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 385 65.857 3.595 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.145 2.404 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.184 3.979 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.377 5.664 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.702 6.086 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 385 68.028 5.882 -3.581 1.00 0.00 H new ATOM 776 N LEU A 386 69.724 3.767 0.828 1.00 0.00 N ATOM 777 CA LEU A 386 69.313 3.609 2.204 1.00 0.00 C ATOM 778 C LEU A 386 69.913 4.726 3.045 1.00 0.00 C ATOM 779 O LEU A 386 69.323 5.141 4.028 1.00 0.00 O ATOM 780 CB LEU A 386 69.782 2.291 2.748 1.00 0.00 C ATOM 781 CG LEU A 386 68.749 1.379 3.446 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.454 0.221 4.111 1.00 0.00 C ATOM 783 CD2 LEU A 386 67.876 2.122 4.455 1.00 0.00 C ATOM 0 H LEU A 386 70.302 3.008 0.468 1.00 0.00 H new ATOM 0 HA LEU A 386 68.224 3.647 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.220 1.728 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.584 2.491 3.459 1.00 0.00 H new ATOM 0 HG LEU A 386 68.077 1.009 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.720 -0.419 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 386 69.994 -0.356 3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.158 0.600 4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.172 1.425 4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.506 2.558 5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.326 2.914 3.947 1.00 0.00 H new ATOM 795 N ALA A 387 71.084 5.202 2.640 1.00 0.00 N ATOM 796 CA ALA A 387 71.740 6.322 3.305 1.00 0.00 C ATOM 797 C ALA A 387 70.827 7.556 3.286 1.00 0.00 C ATOM 798 O ALA A 387 70.714 8.278 4.282 1.00 0.00 O ATOM 799 CB ALA A 387 73.068 6.621 2.638 1.00 0.00 C ATOM 0 H ALA A 387 71.603 4.826 1.847 1.00 0.00 H new ATOM 0 HA ALA A 387 71.933 6.055 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.548 7.459 3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.712 5.743 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 387 72.900 6.876 1.592 1.00 0.00 H new ATOM 805 N GLU A 388 70.140 7.754 2.167 1.00 0.00 N ATOM 806 CA GLU A 388 69.188 8.827 2.015 1.00 0.00 C ATOM 807 C GLU A 388 67.989 8.581 2.895 1.00 0.00 C ATOM 808 O GLU A 388 67.428 9.508 3.495 1.00 0.00 O ATOM 809 CB GLU A 388 68.767 8.921 0.585 1.00 0.00 C ATOM 810 CG GLU A 388 69.883 9.346 -0.315 1.00 0.00 C ATOM 811 CD GLU A 388 70.524 10.650 0.103 1.00 0.00 C ATOM 812 OE1 GLU A 388 69.898 11.713 -0.069 1.00 0.00 O ATOM 813 OE2 GLU A 388 71.681 10.637 0.573 1.00 0.00 O ATOM 0 H GLU A 388 70.235 7.166 1.339 1.00 0.00 H new ATOM 0 HA GLU A 388 69.653 9.767 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 388 68.389 7.953 0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 388 67.944 9.631 0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.643 8.565 -0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 388 69.503 9.445 -1.332 1.00 0.00 H new ATOM 820 N HIS A 389 67.611 7.309 2.992 1.00 0.00 N ATOM 821 CA HIS A 389 66.549 6.891 3.868 1.00 0.00 C ATOM 822 C HIS A 389 66.868 7.217 5.275 1.00 0.00 C ATOM 823 O HIS A 389 66.105 7.842 5.891 1.00 0.00 O ATOM 824 CB HIS A 389 66.196 5.425 3.712 1.00 0.00 C ATOM 825 CG HIS A 389 65.131 5.002 4.633 1.00 0.00 C ATOM 826 ND1 HIS A 389 63.875 5.532 4.649 1.00 0.00 N ATOM 827 CD2 HIS A 389 65.214 4.205 5.673 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.252 5.074 5.694 1.00 0.00 C ATOM 829 NE2 HIS A 389 64.045 4.258 6.323 1.00 0.00 N ATOM 0 H HIS A 389 68.039 6.550 2.462 1.00 0.00 H new ATOM 0 HA HIS A 389 65.662 7.452 3.573 1.00 0.00 H new ATOM 0 HB2 HIS A 389 65.880 5.238 2.686 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.085 4.820 3.887 1.00 0.00 H new ATOM 0 HD1 HIS A 389 63.490 6.177 3.959 1.00 0.00 H new ATOM 0 HD2 HIS A 389 66.072 3.612 5.954 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.245 5.329 5.990 1.00 0.00 H new ATOM 838 N LYS A 390 67.988 6.793 5.756 1.00 0.00 N ATOM 839 CA LYS A 390 68.411 7.062 7.121 1.00 0.00 C ATOM 840 C LYS A 390 68.577 8.507 7.407 1.00 0.00 C ATOM 841 O LYS A 390 68.463 8.929 8.538 1.00 0.00 O ATOM 842 CB LYS A 390 69.599 6.258 7.438 1.00 0.00 C ATOM 843 CG LYS A 390 69.351 4.810 7.065 1.00 0.00 C ATOM 844 CD LYS A 390 68.110 4.233 7.763 1.00 0.00 C ATOM 845 CE LYS A 390 68.470 3.753 9.136 1.00 0.00 C ATOM 846 NZ LYS A 390 69.593 2.775 9.139 1.00 0.00 N ATOM 0 H LYS A 390 68.656 6.241 5.218 1.00 0.00 H new ATOM 0 HA LYS A 390 67.611 6.754 7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.464 6.640 6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.829 6.335 8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.227 4.731 5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.224 4.214 7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.332 4.994 7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 390 67.703 3.410 7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.741 4.609 9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.595 3.293 9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.491 2.132 9.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.576 2.225 8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.497 3.284 9.212 1.00 0.00 H new ATOM 860 N ASN A 391 68.860 9.262 6.418 1.00 0.00 N ATOM 861 CA ASN A 391 68.902 10.678 6.601 1.00 0.00 C ATOM 862 C ASN A 391 67.493 11.235 6.937 1.00 0.00 C ATOM 863 O ASN A 391 67.364 12.232 7.658 1.00 0.00 O ATOM 864 CB ASN A 391 69.549 11.376 5.411 1.00 0.00 C ATOM 865 CG ASN A 391 71.035 11.579 5.589 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.479 12.604 6.115 1.00 0.00 O ATOM 867 ND2 ASN A 391 71.819 10.629 5.174 1.00 0.00 N ATOM 0 H ASN A 391 69.067 8.937 5.474 1.00 0.00 H new ATOM 0 HA ASN A 391 69.538 10.894 7.460 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.373 10.788 4.511 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.070 12.343 5.259 1.00 0.00 H new ATOM 0 HD21 ASN A 391 72.830 10.719 5.279 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.424 9.793 4.743 1.00 0.00 H new ATOM 874 N LYS A 392 66.449 10.593 6.405 1.00 0.00 N ATOM 875 CA LYS A 392 65.074 10.911 6.741 1.00 0.00 C ATOM 876 C LYS A 392 64.562 10.045 7.907 1.00 0.00 C ATOM 877 O LYS A 392 64.135 10.556 8.933 1.00 0.00 O ATOM 878 CB LYS A 392 64.146 10.723 5.552 1.00 0.00 C ATOM 879 CG LYS A 392 62.684 11.004 5.888 1.00 0.00 C ATOM 880 CD LYS A 392 62.275 12.500 5.831 1.00 0.00 C ATOM 881 CE LYS A 392 63.005 13.424 6.832 1.00 0.00 C ATOM 882 NZ LYS A 392 62.836 13.007 8.252 1.00 0.00 N ATOM 0 H LYS A 392 66.543 9.836 5.727 1.00 0.00 H new ATOM 0 HA LYS A 392 65.068 11.960 7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.461 11.383 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.239 9.701 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.054 10.444 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.477 10.624 6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 392 62.456 12.871 4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 392 61.202 12.573 6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 392 64.068 13.442 6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 392 62.634 14.442 6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 63.232 13.737 8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 61.824 12.884 8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 63.334 12.108 8.411 1.00 0.00 H new ATOM 896 N THR A 393 64.566 8.754 7.686 1.00 0.00 N ATOM 897 CA THR A 393 64.121 7.752 8.603 1.00 0.00 C ATOM 898 C THR A 393 65.298 6.810 8.906 1.00 0.00 C ATOM 899 O THR A 393 65.593 5.862 8.201 1.00 0.00 O ATOM 900 CB THR A 393 63.012 6.941 8.007 1.00 0.00 C ATOM 901 OG1 THR A 393 61.993 7.806 7.483 1.00 0.00 O ATOM 902 CG2 THR A 393 62.413 5.942 9.011 1.00 0.00 C ATOM 0 H THR A 393 64.901 8.359 6.807 1.00 0.00 H new ATOM 0 HA THR A 393 63.760 8.239 9.509 1.00 0.00 H new ATOM 0 HB THR A 393 63.438 6.354 7.193 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.274 7.266 7.094 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.613 5.379 8.530 1.00 0.00 H new ATOM 0 HG22 THR A 393 63.189 5.255 9.348 1.00 0.00 H new ATOM 0 HG23 THR A 393 62.011 6.484 9.867 1.00 0.00 H new ATOM 910 N ARG A 394 65.908 7.160 9.901 1.00 0.00 N ATOM 911 CA ARG A 394 67.116 6.642 10.499 1.00 0.00 C ATOM 912 C ARG A 394 66.819 5.462 11.444 1.00 0.00 C ATOM 913 O ARG A 394 67.657 5.047 12.236 1.00 0.00 O ATOM 914 CB ARG A 394 67.790 7.845 11.196 1.00 0.00 C ATOM 915 CG ARG A 394 69.165 7.672 11.824 1.00 0.00 C ATOM 916 CD ARG A 394 70.139 6.857 11.016 1.00 0.00 C ATOM 917 NE ARG A 394 71.371 6.585 11.780 1.00 0.00 N ATOM 918 CZ ARG A 394 72.550 6.201 11.261 1.00 0.00 C ATOM 919 NH1 ARG A 394 72.766 6.255 9.957 1.00 0.00 N ATOM 920 NH2 ARG A 394 73.531 5.825 12.069 1.00 0.00 N ATOM 0 H ARG A 394 65.557 7.946 10.448 1.00 0.00 H new ATOM 0 HA ARG A 394 67.793 6.218 9.757 1.00 0.00 H new ATOM 0 HB2 ARG A 394 67.864 8.648 10.463 1.00 0.00 H new ATOM 0 HB3 ARG A 394 67.114 8.190 11.979 1.00 0.00 H new ATOM 0 HG2 ARG A 394 69.596 8.659 11.996 1.00 0.00 H new ATOM 0 HG3 ARG A 394 69.045 7.203 12.800 1.00 0.00 H new ATOM 0 HD2 ARG A 394 69.674 5.915 10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 394 70.388 7.389 10.097 1.00 0.00 H new ATOM 0 HE ARG A 394 71.324 6.698 12.793 1.00 0.00 H new ATOM 0 HH11 ARG A 394 72.033 6.591 9.332 1.00 0.00 H new ATOM 0 HH12 ARG A 394 73.665 5.961 9.576 1.00 0.00 H new ATOM 0 HH21 ARG A 394 73.389 5.828 13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 394 74.428 5.533 11.681 1.00 0.00 H new ATOM 934 N GLU A 395 65.655 4.900 11.308 1.00 0.00 N ATOM 935 CA GLU A 395 65.289 3.751 12.029 1.00 0.00 C ATOM 936 C GLU A 395 65.405 2.573 11.105 1.00 0.00 C ATOM 937 O GLU A 395 65.314 2.720 9.871 1.00 0.00 O ATOM 938 CB GLU A 395 63.912 3.924 12.624 1.00 0.00 C ATOM 939 CG GLU A 395 63.906 5.040 13.643 1.00 0.00 C ATOM 940 CD GLU A 395 62.557 5.351 14.194 1.00 0.00 C ATOM 941 OE1 GLU A 395 61.863 6.200 13.625 1.00 0.00 O ATOM 942 OE2 GLU A 395 62.182 4.796 15.245 1.00 0.00 O ATOM 0 H GLU A 395 64.931 5.245 10.678 1.00 0.00 H new ATOM 0 HA GLU A 395 65.952 3.580 12.877 1.00 0.00 H new ATOM 0 HB2 GLU A 395 63.194 4.143 11.834 1.00 0.00 H new ATOM 0 HB3 GLU A 395 63.594 2.994 13.095 1.00 0.00 H new ATOM 0 HG2 GLU A 395 64.570 4.771 14.465 1.00 0.00 H new ATOM 0 HG3 GLU A 395 64.316 5.940 13.184 1.00 0.00 H new ATOM 949 N LYS A 396 65.648 1.457 11.675 1.00 0.00 N ATOM 950 CA LYS A 396 65.995 0.261 10.936 1.00 0.00 C ATOM 951 C LYS A 396 64.818 -0.773 10.942 1.00 0.00 C ATOM 952 O LYS A 396 63.719 -0.478 11.427 1.00 0.00 O ATOM 953 CB LYS A 396 67.333 -0.292 11.538 1.00 0.00 C ATOM 954 CG LYS A 396 68.088 -1.376 10.745 1.00 0.00 C ATOM 955 CD LYS A 396 68.379 -0.939 9.313 1.00 0.00 C ATOM 956 CE LYS A 396 69.184 -1.996 8.550 1.00 0.00 C ATOM 957 NZ LYS A 396 69.217 -1.722 7.106 1.00 0.00 N ATOM 0 H LYS A 396 65.616 1.324 12.686 1.00 0.00 H new ATOM 0 HA LYS A 396 66.157 0.480 9.881 1.00 0.00 H new ATOM 0 HB2 LYS A 396 68.010 0.551 11.679 1.00 0.00 H new ATOM 0 HB3 LYS A 396 67.114 -0.694 12.527 1.00 0.00 H new ATOM 0 HG2 LYS A 396 69.025 -1.608 11.251 1.00 0.00 H new ATOM 0 HG3 LYS A 396 67.498 -2.292 10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 396 67.440 -0.751 8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 396 68.931 0.001 9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 396 70.202 -2.026 8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 396 68.748 -2.980 8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 69.698 -2.503 6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 68.245 -1.634 6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 69.732 -0.835 6.933 1.00 0.00 H new ATOM 971 N GLU A 397 65.057 -1.950 10.372 1.00 0.00 N ATOM 972 CA GLU A 397 64.059 -2.996 10.213 1.00 0.00 C ATOM 973 C GLU A 397 64.102 -4.003 11.356 1.00 0.00 C ATOM 974 O GLU A 397 63.971 -5.215 11.116 1.00 0.00 O ATOM 975 CB GLU A 397 64.368 -3.784 8.956 1.00 0.00 C ATOM 976 CG GLU A 397 64.636 -2.985 7.726 1.00 0.00 C ATOM 977 CD GLU A 397 66.076 -3.018 7.332 1.00 0.00 C ATOM 978 OE1 GLU A 397 66.717 -4.084 7.471 1.00 0.00 O ATOM 979 OE2 GLU A 397 66.591 -2.017 6.814 1.00 0.00 O ATOM 0 H GLU A 397 65.972 -2.206 10.000 1.00 0.00 H new ATOM 0 HA GLU A 397 63.086 -2.507 10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 397 65.236 -4.413 9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 397 63.530 -4.451 8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 397 64.028 -3.369 6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 397 64.331 -1.952 7.893 1.00 0.00 H new TER 986 GLU A 397 HETATM 987 ZN ZN A 500 60.577 -5.379 -0.007 1.00 0.00 ZN