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 346 HIS :FLIP no HD1:sc= -5.62! C(o=-11!,f=-4.5!) USER MOD Set 1.2: A 359 THR OG1 : rot 19:sc= 1.13 USER MOD Single : A 354 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 356 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot 180:sc= -0.233 USER MOD Single : A 363 THR OG1 : rot -41:sc= 0.54 USER MOD Single : A 365 LYS NZ :NH3+ 161:sc= -0.116 (180deg=-0.538) USER MOD Single : A 366 THR OG1 : rot 180:sc= 0 USER MOD Single : A 368 SER OG : rot 180:sc= -1 USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN :FLIP amide:sc=-0.000745 F(o=-1.5,f=-0.00074) USER MOD Single : A 376 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 380 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 389 HIS : no HD1:sc= -6.56! C(o=-6.6!,f=-6.8!) USER MOD Single : A 390 LYS NZ :NH3+ -165:sc= -0.511 (180deg=-1.16!) USER MOD Single : A 391 ASN : amide:sc= 1.17 K(o=1.2,f=-0.065) USER MOD Single : A 392 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD Single : A 396 LYS NZ :NH3+ -174:sc= 0.353 (180deg=0.243) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 339 51.101 1.494 -3.837 1.00 0.00 N ATOM 2 CA ARG A 339 50.171 1.496 -4.910 1.00 0.00 C ATOM 3 C ARG A 339 50.865 1.269 -6.132 1.00 0.00 C ATOM 4 O ARG A 339 50.776 0.208 -6.764 1.00 0.00 O ATOM 5 CB ARG A 339 49.454 2.808 -5.012 1.00 0.00 C ATOM 6 CG ARG A 339 48.489 3.122 -3.908 1.00 0.00 C ATOM 7 CD ARG A 339 47.838 4.460 -4.142 1.00 0.00 C ATOM 8 NE ARG A 339 47.080 4.913 -2.982 1.00 0.00 N ATOM 9 CZ ARG A 339 46.570 6.141 -2.844 1.00 0.00 C ATOM 10 NH1 ARG A 339 46.703 7.035 -3.817 1.00 0.00 N ATOM 11 NH2 ARG A 339 45.960 6.480 -1.722 1.00 0.00 N ATOM 0 HA ARG A 339 49.440 0.709 -4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 339 50.198 3.603 -5.053 1.00 0.00 H new ATOM 0 HB3 ARG A 339 48.912 2.830 -5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 339 47.727 2.345 -3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 339 49.011 3.127 -2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 339 48.603 5.197 -4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 339 47.175 4.394 -5.004 1.00 0.00 H new ATOM 0 HE ARG A 339 46.928 4.248 -2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 339 47.196 6.786 -4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 339 46.312 7.971 -3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 339 45.878 5.805 -0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 339 45.571 7.417 -1.616 1.00 0.00 H new ATOM 25 N GLU A 340 51.570 2.213 -6.451 1.00 0.00 N ATOM 26 CA GLU A 340 52.250 2.203 -7.587 1.00 0.00 C ATOM 27 C GLU A 340 53.688 2.324 -7.226 1.00 0.00 C ATOM 28 O GLU A 340 54.204 3.371 -6.813 1.00 0.00 O ATOM 29 CB GLU A 340 51.717 3.253 -8.530 1.00 0.00 C ATOM 30 CG GLU A 340 52.191 4.645 -8.262 1.00 0.00 C ATOM 31 CD GLU A 340 51.093 5.648 -8.291 1.00 0.00 C ATOM 32 OE1 GLU A 340 50.717 6.100 -9.398 1.00 0.00 O ATOM 33 OE2 GLU A 340 50.589 6.019 -7.216 1.00 0.00 O ATOM 0 H GLU A 340 51.689 3.056 -5.890 1.00 0.00 H new ATOM 0 HA GLU A 340 52.132 1.276 -8.149 1.00 0.00 H new ATOM 0 HB2 GLU A 340 51.996 2.980 -9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 340 50.628 3.241 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 340 52.678 4.676 -7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 340 52.943 4.916 -9.003 1.00 0.00 H new ATOM 40 N PHE A 341 54.206 1.186 -7.088 1.00 0.00 N ATOM 41 CA PHE A 341 55.636 0.984 -6.978 1.00 0.00 C ATOM 42 C PHE A 341 56.405 2.010 -7.799 1.00 0.00 C ATOM 43 O PHE A 341 56.246 2.127 -9.022 1.00 0.00 O ATOM 44 CB PHE A 341 56.035 -0.387 -7.507 1.00 0.00 C ATOM 45 CG PHE A 341 57.510 -0.551 -7.586 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.256 -0.574 -6.449 1.00 0.00 C ATOM 47 CD2 PHE A 341 58.153 -0.648 -8.808 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.578 -0.692 -6.492 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.507 -0.769 -8.861 1.00 0.00 C ATOM 50 CZ PHE A 341 60.226 -0.792 -7.701 1.00 0.00 C ATOM 0 H PHE A 341 53.663 0.324 -7.043 1.00 0.00 H new ATOM 0 HA PHE A 341 55.878 1.080 -5.920 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.619 -1.159 -6.860 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.601 -0.533 -8.496 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.763 -0.495 -5.491 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.578 -0.628 -9.722 1.00 0.00 H new ATOM 0 HE1 PHE A 341 60.147 -0.710 -5.574 1.00 0.00 H new ATOM 0 HE2 PHE A 341 60.009 -0.846 -9.814 1.00 0.00 H new ATOM 0 HZ PHE A 341 61.301 -0.888 -7.732 1.00 0.00 H new ATOM 60 N ASP A 342 57.228 2.696 -7.113 1.00 0.00 N ATOM 61 CA ASP A 342 58.090 3.696 -7.675 1.00 0.00 C ATOM 62 C ASP A 342 59.508 3.258 -7.403 1.00 0.00 C ATOM 63 O ASP A 342 59.971 3.338 -6.268 1.00 0.00 O ATOM 64 CB ASP A 342 57.853 5.121 -7.107 1.00 0.00 C ATOM 65 CG ASP A 342 56.635 5.856 -7.655 1.00 0.00 C ATOM 66 OD1 ASP A 342 56.579 6.114 -8.882 1.00 0.00 O ATOM 67 OD2 ASP A 342 55.764 6.278 -6.866 1.00 0.00 O ATOM 0 H ASP A 342 57.337 2.585 -6.105 1.00 0.00 H new ATOM 0 HA ASP A 342 57.878 3.775 -8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 342 57.754 5.049 -6.024 1.00 0.00 H new ATOM 0 HB3 ASP A 342 58.739 5.724 -7.307 1.00 0.00 H new ATOM 72 N PRO A 343 60.201 2.719 -8.404 1.00 0.00 N ATOM 73 CA PRO A 343 61.539 2.131 -8.227 1.00 0.00 C ATOM 74 C PRO A 343 62.608 3.029 -7.611 1.00 0.00 C ATOM 75 O PRO A 343 63.411 2.559 -6.817 1.00 0.00 O ATOM 76 CB PRO A 343 61.931 1.668 -9.613 1.00 0.00 C ATOM 77 CG PRO A 343 61.039 2.412 -10.542 1.00 0.00 C ATOM 78 CD PRO A 343 59.745 2.575 -9.803 1.00 0.00 C ATOM 0 HA PRO A 343 61.480 1.333 -7.487 1.00 0.00 H new ATOM 0 HB2 PRO A 343 62.980 1.883 -9.818 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.800 0.591 -9.720 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.466 3.380 -10.806 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.894 1.863 -11.472 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.190 3.449 -10.142 1.00 0.00 H new ATOM 0 HD3 PRO A 343 59.091 1.712 -9.931 1.00 0.00 H new ATOM 86 N ASP A 344 62.607 4.302 -7.944 1.00 0.00 N ATOM 87 CA ASP A 344 63.607 5.229 -7.395 1.00 0.00 C ATOM 88 C ASP A 344 63.389 5.437 -5.918 1.00 0.00 C ATOM 89 O ASP A 344 64.321 5.697 -5.150 1.00 0.00 O ATOM 90 CB ASP A 344 63.525 6.586 -8.101 1.00 0.00 C ATOM 91 CG ASP A 344 64.345 7.672 -7.439 1.00 0.00 C ATOM 92 OD1 ASP A 344 65.544 7.481 -7.222 1.00 0.00 O ATOM 93 OD2 ASP A 344 63.799 8.756 -7.151 1.00 0.00 O ATOM 0 H ASP A 344 61.937 4.728 -8.585 1.00 0.00 H new ATOM 0 HA ASP A 344 64.591 4.789 -7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 344 63.860 6.469 -9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 344 62.483 6.903 -8.138 1.00 0.00 H new ATOM 98 N ILE A 345 62.179 5.260 -5.510 1.00 0.00 N ATOM 99 CA ILE A 345 61.808 5.639 -4.174 1.00 0.00 C ATOM 100 C ILE A 345 61.659 4.449 -3.263 1.00 0.00 C ATOM 101 O ILE A 345 61.604 4.613 -2.046 1.00 0.00 O ATOM 102 CB ILE A 345 60.513 6.493 -4.155 1.00 0.00 C ATOM 103 CG1 ILE A 345 59.265 5.623 -4.028 1.00 0.00 C ATOM 104 CG2 ILE A 345 60.437 7.338 -5.424 1.00 0.00 C ATOM 105 CD1 ILE A 345 57.988 6.415 -3.956 1.00 0.00 C ATOM 0 H ILE A 345 61.428 4.859 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 345 62.628 6.250 -3.795 1.00 0.00 H new ATOM 0 HB ILE A 345 60.550 7.144 -3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 345 59.216 4.945 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 345 59.351 5.005 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 345 59.526 7.937 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 345 61.304 7.997 -5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 345 60.426 6.684 -6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 345 57.142 5.734 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 345 58.017 7.074 -3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 345 57.879 7.012 -4.861 1.00 0.00 H new ATOM 117 N HIS A 346 61.566 3.267 -3.833 1.00 0.00 N ATOM 118 CA HIS A 346 61.388 2.104 -3.035 1.00 0.00 C ATOM 119 C HIS A 346 62.317 0.950 -3.216 1.00 0.00 C ATOM 120 O HIS A 346 63.293 0.986 -3.949 1.00 0.00 O ATOM 121 CB HIS A 346 60.053 1.625 -3.105 1.00 0.00 C ATOM 122 CG HIS A 346 59.304 2.159 -1.960 1.00 0.00 C ATOM 123 ND1 HIS A 346 58.234 2.661 -2.047 1.00 0.00 N flip ATOM 124 CD2 HIS A 346 59.708 2.177 -0.673 1.00 0.00 C flip ATOM 125 CE1 HIS A 346 57.786 3.103 -0.889 1.00 0.00 C flip ATOM 126 NE2 HIS A 346 58.679 2.785 -0.054 1.00 0.00 N flip ATOM 0 H HIS A 346 61.612 3.101 -4.838 1.00 0.00 H new ATOM 0 HA HIS A 346 61.647 2.497 -2.052 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.588 1.937 -4.040 1.00 0.00 H new ATOM 0 HB3 HIS A 346 60.041 0.535 -3.090 1.00 0.00 H new ATOM 0 HD2 HIS A 346 60.626 1.799 -0.247 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.859 3.623 -0.696 1.00 0.00 H new ATOM 0 HE2 HIS A 346 58.627 2.964 0.949 1.00 0.00 H new ATOM 134 N CYS A 347 61.963 -0.076 -2.497 1.00 0.00 N ATOM 135 CA CYS A 347 62.659 -1.333 -2.380 1.00 0.00 C ATOM 136 C CYS A 347 62.861 -2.078 -3.727 1.00 0.00 C ATOM 137 O CYS A 347 63.899 -2.674 -3.926 1.00 0.00 O ATOM 138 CB CYS A 347 61.875 -2.163 -1.363 1.00 0.00 C ATOM 139 SG CYS A 347 62.530 -3.845 -0.894 1.00 0.00 S ATOM 0 H CYS A 347 61.114 -0.058 -1.932 1.00 0.00 H new ATOM 0 HA CYS A 347 63.681 -1.155 -2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.789 -1.574 -0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.866 -2.297 -1.752 1.00 0.00 H new ATOM 144 N GLY A 348 61.848 -2.153 -4.562 1.00 0.00 N ATOM 145 CA GLY A 348 62.033 -2.740 -5.894 1.00 0.00 C ATOM 146 C GLY A 348 62.082 -4.247 -5.939 1.00 0.00 C ATOM 147 O GLY A 348 62.049 -4.825 -7.006 1.00 0.00 O ATOM 0 H GLY A 348 60.903 -1.826 -4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 348 61.221 -2.401 -6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.959 -2.351 -6.318 1.00 0.00 H new ATOM 151 N VAL A 349 62.107 -4.877 -4.795 1.00 0.00 N ATOM 152 CA VAL A 349 62.228 -6.327 -4.745 1.00 0.00 C ATOM 153 C VAL A 349 60.915 -6.905 -4.985 1.00 0.00 C ATOM 154 O VAL A 349 59.984 -6.680 -4.206 1.00 0.00 O ATOM 155 CB VAL A 349 62.767 -6.866 -3.386 1.00 0.00 C ATOM 156 CG1 VAL A 349 63.018 -8.369 -3.437 1.00 0.00 C ATOM 157 CG2 VAL A 349 64.007 -6.145 -2.932 1.00 0.00 C ATOM 0 H VAL A 349 62.046 -4.421 -3.885 1.00 0.00 H new ATOM 0 HA VAL A 349 62.953 -6.613 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 349 61.985 -6.671 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.393 -8.708 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.086 -8.886 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 349 63.754 -8.589 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.341 -6.559 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.793 -6.268 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.787 -5.085 -2.809 1.00 0.00 H new ATOM 167 N ILE A 350 60.815 -7.576 -6.063 1.00 0.00 N ATOM 168 CA ILE A 350 59.653 -8.269 -6.362 1.00 0.00 C ATOM 169 C ILE A 350 59.524 -9.414 -5.415 1.00 0.00 C ATOM 170 O ILE A 350 60.435 -10.238 -5.271 1.00 0.00 O ATOM 171 CB ILE A 350 59.595 -8.685 -7.819 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.504 -7.390 -8.646 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.445 -9.647 -8.054 1.00 0.00 C ATOM 174 CD1 ILE A 350 59.032 -7.532 -10.062 1.00 0.00 C ATOM 0 H ILE A 350 61.552 -7.654 -6.764 1.00 0.00 H new ATOM 0 HA ILE A 350 58.791 -7.615 -6.229 1.00 0.00 H new ATOM 0 HB ILE A 350 60.484 -9.235 -8.126 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.834 -6.702 -8.130 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.489 -6.924 -8.660 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.420 -9.934 -9.105 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.583 -10.536 -7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.505 -9.163 -7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 350 59.011 -6.552 -10.539 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.711 -8.186 -10.608 1.00 0.00 H new ATOM 0 HD13 ILE A 350 58.030 -7.961 -10.070 1.00 0.00 H new ATOM 186 N ASP A 351 58.433 -9.427 -4.750 1.00 0.00 N ATOM 187 CA ASP A 351 58.221 -10.337 -3.682 1.00 0.00 C ATOM 188 C ASP A 351 57.771 -11.644 -4.218 1.00 0.00 C ATOM 189 O ASP A 351 57.018 -11.697 -5.156 1.00 0.00 O ATOM 190 CB ASP A 351 57.189 -9.766 -2.762 1.00 0.00 C ATOM 191 CG ASP A 351 57.007 -10.557 -1.509 1.00 0.00 C ATOM 192 OD1 ASP A 351 57.986 -10.748 -0.757 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.890 -11.014 -1.271 1.00 0.00 O ATOM 0 H ASP A 351 57.649 -8.800 -4.931 1.00 0.00 H new ATOM 0 HA ASP A 351 59.150 -10.493 -3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 351 57.471 -8.746 -2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 351 56.236 -9.709 -3.288 1.00 0.00 H new ATOM 198 N LEU A 352 58.260 -12.689 -3.666 1.00 0.00 N ATOM 199 CA LEU A 352 57.896 -14.005 -4.098 1.00 0.00 C ATOM 200 C LEU A 352 56.550 -14.449 -3.557 1.00 0.00 C ATOM 201 O LEU A 352 55.954 -15.381 -4.078 1.00 0.00 O ATOM 202 CB LEU A 352 59.010 -14.951 -3.735 1.00 0.00 C ATOM 203 CG LEU A 352 60.077 -15.218 -4.805 1.00 0.00 C ATOM 204 CD1 LEU A 352 59.588 -16.257 -5.794 1.00 0.00 C ATOM 205 CD2 LEU A 352 60.445 -13.943 -5.563 1.00 0.00 C ATOM 0 H LEU A 352 58.929 -12.667 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 352 57.768 -14.003 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 352 59.510 -14.560 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 352 58.565 -15.906 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 352 60.964 -15.586 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 352 60.357 -16.434 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 352 59.374 -17.187 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 352 58.681 -15.898 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 352 61.203 -14.171 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 352 59.558 -13.543 -6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.837 -13.204 -4.864 1.00 0.00 H new ATOM 217 N ASP A 353 56.062 -13.775 -2.535 1.00 0.00 N ATOM 218 CA ASP A 353 54.796 -14.115 -1.950 1.00 0.00 C ATOM 219 C ASP A 353 53.677 -13.317 -2.598 1.00 0.00 C ATOM 220 O ASP A 353 52.642 -13.868 -2.978 1.00 0.00 O ATOM 221 CB ASP A 353 54.825 -13.881 -0.440 1.00 0.00 C ATOM 222 CG ASP A 353 55.798 -14.782 0.286 1.00 0.00 C ATOM 223 OD1 ASP A 353 55.464 -15.952 0.559 1.00 0.00 O ATOM 224 OD2 ASP A 353 56.936 -14.356 0.575 1.00 0.00 O ATOM 0 H ASP A 353 56.533 -12.984 -2.095 1.00 0.00 H new ATOM 0 HA ASP A 353 54.606 -15.173 -2.128 1.00 0.00 H new ATOM 0 HB2 ASP A 353 55.089 -12.841 -0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 353 53.825 -14.037 -0.036 1.00 0.00 H new ATOM 229 N THR A 354 53.874 -12.025 -2.722 1.00 0.00 N ATOM 230 CA THR A 354 52.883 -11.161 -3.343 1.00 0.00 C ATOM 231 C THR A 354 53.068 -11.051 -4.862 1.00 0.00 C ATOM 232 O THR A 354 52.090 -10.879 -5.599 1.00 0.00 O ATOM 233 CB THR A 354 52.855 -9.770 -2.680 1.00 0.00 C ATOM 234 OG1 THR A 354 54.179 -9.243 -2.604 1.00 0.00 O ATOM 235 CG2 THR A 354 52.266 -9.851 -1.287 1.00 0.00 C ATOM 0 H THR A 354 54.713 -11.543 -2.401 1.00 0.00 H new ATOM 0 HA THR A 354 51.913 -11.631 -3.179 1.00 0.00 H new ATOM 0 HB THR A 354 52.232 -9.114 -3.287 1.00 0.00 H new ATOM 0 HG1 THR A 354 54.155 -8.358 -2.183 1.00 0.00 H new ATOM 0 HG21 THR A 354 52.256 -8.858 -0.838 1.00 0.00 H new ATOM 0 HG22 THR A 354 51.247 -10.233 -1.345 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.871 -10.520 -0.675 1.00 0.00 H new ATOM 243 N LYS A 355 54.319 -11.165 -5.314 1.00 0.00 N ATOM 244 CA LYS A 355 54.681 -11.137 -6.751 1.00 0.00 C ATOM 245 C LYS A 355 54.435 -9.825 -7.413 1.00 0.00 C ATOM 246 O LYS A 355 53.973 -9.715 -8.558 1.00 0.00 O ATOM 247 CB LYS A 355 54.155 -12.316 -7.521 1.00 0.00 C ATOM 248 CG LYS A 355 55.077 -13.506 -7.457 1.00 0.00 C ATOM 249 CD LYS A 355 56.301 -13.292 -8.334 1.00 0.00 C ATOM 250 CE LYS A 355 57.211 -14.500 -8.338 1.00 0.00 C ATOM 251 NZ LYS A 355 58.386 -14.309 -9.226 1.00 0.00 N ATOM 0 H LYS A 355 55.122 -11.281 -4.696 1.00 0.00 H new ATOM 0 HA LYS A 355 55.765 -11.247 -6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 355 53.178 -12.596 -7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 355 54.009 -12.030 -8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 355 55.388 -13.675 -6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 355 54.545 -14.401 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 355 55.983 -13.074 -9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 355 56.854 -12.422 -7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 355 57.553 -14.700 -7.322 1.00 0.00 H new ATOM 0 HE3 LYS A 355 56.649 -15.376 -8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 58.983 -15.160 -9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 58.062 -14.144 -10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 58.937 -13.489 -8.901 1.00 0.00 H new ATOM 265 N LYS A 356 54.834 -8.862 -6.712 1.00 0.00 N ATOM 266 CA LYS A 356 54.772 -7.516 -7.089 1.00 0.00 C ATOM 267 C LYS A 356 56.033 -6.904 -6.573 1.00 0.00 C ATOM 268 O LYS A 356 56.706 -7.532 -5.735 1.00 0.00 O ATOM 269 CB LYS A 356 53.552 -6.876 -6.446 1.00 0.00 C ATOM 270 CG LYS A 356 53.630 -6.682 -4.942 1.00 0.00 C ATOM 271 CD LYS A 356 52.431 -5.920 -4.462 1.00 0.00 C ATOM 272 CE LYS A 356 52.536 -5.565 -2.995 1.00 0.00 C ATOM 273 NZ LYS A 356 51.351 -4.813 -2.531 1.00 0.00 N ATOM 0 H LYS A 356 55.245 -8.995 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 356 54.683 -7.380 -8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.385 -5.905 -6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.680 -7.491 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.679 -7.650 -4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 356 54.542 -6.143 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 356 52.322 -5.008 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.533 -6.515 -4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 356 52.643 -6.476 -2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 356 53.434 -4.970 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 51.457 -4.586 -1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 51.264 -3.932 -3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 50.497 -5.391 -2.668 1.00 0.00 H new ATOM 287 N PRO A 357 56.414 -5.719 -7.033 1.00 0.00 N ATOM 288 CA PRO A 357 57.574 -5.084 -6.531 1.00 0.00 C ATOM 289 C PRO A 357 57.376 -4.578 -5.168 1.00 0.00 C ATOM 290 O PRO A 357 56.333 -4.772 -4.534 1.00 0.00 O ATOM 291 CB PRO A 357 57.866 -3.955 -7.442 1.00 0.00 C ATOM 292 CG PRO A 357 56.722 -3.810 -8.374 1.00 0.00 C ATOM 293 CD PRO A 357 55.731 -4.914 -8.046 1.00 0.00 C ATOM 0 HA PRO A 357 58.396 -5.799 -6.486 1.00 0.00 H new ATOM 0 HB2 PRO A 357 58.014 -3.036 -6.875 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.787 -4.140 -7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 357 56.257 -2.830 -8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 357 57.056 -3.888 -9.408 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.793 -4.508 -7.666 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.488 -5.506 -8.928 1.00 0.00 H new ATOM 301 N CYS A 358 58.324 -3.880 -4.707 1.00 0.00 N ATOM 302 CA CYS A 358 58.278 -3.569 -3.429 1.00 0.00 C ATOM 303 C CYS A 358 58.399 -2.162 -3.196 1.00 0.00 C ATOM 304 O CYS A 358 59.469 -1.577 -3.316 1.00 0.00 O ATOM 305 CB CYS A 358 59.266 -4.265 -2.720 1.00 0.00 C ATOM 306 SG CYS A 358 59.015 -4.076 -0.998 1.00 0.00 S ATOM 0 H CYS A 358 59.126 -3.532 -5.232 1.00 0.00 H new ATOM 0 HA CYS A 358 57.294 -3.867 -3.068 1.00 0.00 H new ATOM 0 HB2 CYS A 358 59.239 -5.322 -2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 358 60.253 -3.892 -2.995 1.00 0.00 H new ATOM 311 N THR A 359 57.358 -1.645 -2.843 1.00 0.00 N ATOM 312 CA THR A 359 57.249 -0.281 -2.528 1.00 0.00 C ATOM 313 C THR A 359 56.902 -0.176 -1.002 1.00 0.00 C ATOM 314 O THR A 359 56.101 0.625 -0.555 1.00 0.00 O ATOM 315 CB THR A 359 56.188 0.349 -3.502 1.00 0.00 C ATOM 316 OG1 THR A 359 56.079 1.768 -3.487 1.00 0.00 O ATOM 317 CG2 THR A 359 54.908 -0.182 -3.182 1.00 0.00 C ATOM 0 H THR A 359 56.483 -2.160 -2.748 1.00 0.00 H new ATOM 0 HA THR A 359 58.169 0.285 -2.673 1.00 0.00 H new ATOM 0 HB THR A 359 56.540 0.089 -4.500 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.889 2.154 -3.094 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.160 0.245 -3.849 1.00 0.00 H new ATOM 0 HG22 THR A 359 54.924 -1.265 -3.301 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.659 0.067 -2.150 1.00 0.00 H new ATOM 325 N ARG A 360 57.606 -0.970 -0.215 1.00 0.00 N ATOM 326 CA ARG A 360 57.409 -0.941 1.218 1.00 0.00 C ATOM 327 C ARG A 360 58.057 0.247 1.816 1.00 0.00 C ATOM 328 O ARG A 360 57.422 1.169 2.329 1.00 0.00 O ATOM 329 CB ARG A 360 58.005 -2.151 1.879 1.00 0.00 C ATOM 330 CG ARG A 360 57.136 -3.337 2.001 1.00 0.00 C ATOM 331 CD ARG A 360 56.063 -3.151 3.035 1.00 0.00 C ATOM 332 NE ARG A 360 54.947 -2.339 2.548 1.00 0.00 N ATOM 333 CZ ARG A 360 54.081 -1.659 3.299 1.00 0.00 C ATOM 334 NH1 ARG A 360 54.188 -1.639 4.623 1.00 0.00 N ATOM 335 NH2 ARG A 360 53.111 -0.996 2.701 1.00 0.00 N ATOM 0 H ARG A 360 58.309 -1.633 -0.541 1.00 0.00 H new ATOM 0 HA ARG A 360 56.331 -0.916 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.896 -2.439 1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 360 58.333 -1.865 2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 360 56.675 -3.548 1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 360 57.743 -4.204 2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 360 55.689 -4.127 3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.493 -2.679 3.918 1.00 0.00 H new ATOM 0 HE ARG A 360 54.820 -2.289 1.537 1.00 0.00 H new ATOM 0 HH11 ARG A 360 54.943 -2.150 5.081 1.00 0.00 H new ATOM 0 HH12 ARG A 360 53.516 -1.113 5.181 1.00 0.00 H new ATOM 0 HH21 ARG A 360 53.035 -1.011 1.684 1.00 0.00 H new ATOM 0 HH22 ARG A 360 52.437 -0.469 3.255 1.00 0.00 H new ATOM 349 N SER A 361 59.327 0.156 1.756 1.00 0.00 N ATOM 350 CA SER A 361 60.260 1.137 2.189 1.00 0.00 C ATOM 351 C SER A 361 61.605 0.739 1.698 1.00 0.00 C ATOM 352 O SER A 361 61.805 -0.411 1.207 1.00 0.00 O ATOM 353 CB SER A 361 60.280 1.295 3.701 1.00 0.00 C ATOM 354 OG SER A 361 60.521 0.052 4.322 1.00 0.00 O ATOM 0 H SER A 361 59.786 -0.671 1.373 1.00 0.00 H new ATOM 0 HA SER A 361 59.964 2.104 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 361 61.053 2.008 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.328 1.701 4.043 1.00 0.00 H new ATOM 0 HG SER A 361 60.533 0.169 5.295 1.00 0.00 H new ATOM 360 N LEU A 362 62.513 1.640 1.830 1.00 0.00 N ATOM 361 CA LEU A 362 63.875 1.457 1.460 1.00 0.00 C ATOM 362 C LEU A 362 64.583 0.589 2.462 1.00 0.00 C ATOM 363 O LEU A 362 65.572 -0.025 2.173 1.00 0.00 O ATOM 364 CB LEU A 362 64.517 2.814 1.363 1.00 0.00 C ATOM 365 CG LEU A 362 63.942 3.697 0.268 1.00 0.00 C ATOM 366 CD1 LEU A 362 64.628 5.044 0.186 1.00 0.00 C ATOM 367 CD2 LEU A 362 63.976 2.950 -1.036 1.00 0.00 C ATOM 0 H LEU A 362 62.321 2.565 2.215 1.00 0.00 H new ATOM 0 HA LEU A 362 63.941 0.951 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.409 3.324 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.585 2.687 1.188 1.00 0.00 H new ATOM 0 HG LEU A 362 62.905 3.926 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 362 64.178 5.634 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 362 64.513 5.569 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 362 65.688 4.900 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 362 63.565 3.578 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 362 65.006 2.689 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 362 63.382 2.040 -0.950 1.00 0.00 H new ATOM 379 N THR A 363 63.996 0.479 3.596 1.00 0.00 N ATOM 380 CA THR A 363 64.544 -0.300 4.676 1.00 0.00 C ATOM 381 C THR A 363 63.567 -1.427 4.951 1.00 0.00 C ATOM 382 O THR A 363 63.497 -1.974 6.057 1.00 0.00 O ATOM 383 CB THR A 363 64.770 0.594 5.928 1.00 0.00 C ATOM 384 OG1 THR A 363 65.358 -0.148 7.006 1.00 0.00 O ATOM 385 CG2 THR A 363 63.478 1.237 6.377 1.00 0.00 C ATOM 0 H THR A 363 63.108 0.929 3.817 1.00 0.00 H new ATOM 0 HA THR A 363 65.518 -0.713 4.414 1.00 0.00 H new ATOM 0 HB THR A 363 65.467 1.381 5.641 1.00 0.00 H new ATOM 0 HG1 THR A 363 64.945 -1.035 7.056 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.665 1.856 7.254 1.00 0.00 H new ATOM 0 HG22 THR A 363 63.081 1.857 5.573 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.754 0.462 6.628 1.00 0.00 H new ATOM 393 N CYS A 364 62.858 -1.767 3.862 1.00 0.00 N ATOM 394 CA CYS A 364 61.834 -2.784 3.768 1.00 0.00 C ATOM 395 C CYS A 364 62.000 -3.912 4.771 1.00 0.00 C ATOM 396 O CYS A 364 62.980 -4.660 4.719 1.00 0.00 O ATOM 397 CB CYS A 364 61.900 -3.361 2.409 1.00 0.00 C ATOM 398 SG CYS A 364 60.791 -4.725 2.184 1.00 0.00 S ATOM 0 H CYS A 364 63.007 -1.297 2.969 1.00 0.00 H new ATOM 0 HA CYS A 364 60.878 -2.307 3.983 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.667 -2.586 1.679 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.919 -3.691 2.209 1.00 0.00 H new ATOM 403 N LYS A 365 61.001 -4.079 5.587 1.00 0.00 N ATOM 404 CA LYS A 365 61.010 -4.966 6.701 1.00 0.00 C ATOM 405 C LYS A 365 60.611 -6.375 6.287 1.00 0.00 C ATOM 406 O LYS A 365 60.655 -7.309 7.074 1.00 0.00 O ATOM 407 CB LYS A 365 60.016 -4.398 7.691 1.00 0.00 C ATOM 408 CG LYS A 365 60.030 -5.009 9.046 1.00 0.00 C ATOM 409 CD LYS A 365 58.897 -4.473 9.904 1.00 0.00 C ATOM 410 CE LYS A 365 57.540 -4.901 9.373 1.00 0.00 C ATOM 411 NZ LYS A 365 57.428 -6.371 9.307 1.00 0.00 N ATOM 0 H LYS A 365 60.120 -3.575 5.485 1.00 0.00 H new ATOM 0 HA LYS A 365 62.008 -5.044 7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 365 60.204 -3.329 7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 365 59.015 -4.507 7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 365 59.943 -6.092 8.960 1.00 0.00 H new ATOM 0 HG3 LYS A 365 60.985 -4.803 9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 365 59.016 -4.828 10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 365 58.948 -3.385 9.936 1.00 0.00 H new ATOM 0 HE2 LYS A 365 56.754 -4.503 10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 365 57.386 -4.478 8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 56.425 -6.641 9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 57.922 -6.719 8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 57.858 -6.790 10.156 1.00 0.00 H new ATOM 425 N THR A 366 60.240 -6.521 5.064 1.00 0.00 N ATOM 426 CA THR A 366 59.796 -7.784 4.570 1.00 0.00 C ATOM 427 C THR A 366 60.987 -8.572 4.053 1.00 0.00 C ATOM 428 O THR A 366 61.137 -9.769 4.269 1.00 0.00 O ATOM 429 CB THR A 366 58.960 -7.533 3.346 1.00 0.00 C ATOM 430 OG1 THR A 366 58.013 -6.464 3.546 1.00 0.00 O ATOM 431 CG2 THR A 366 58.296 -8.796 2.819 1.00 0.00 C ATOM 0 H THR A 366 60.234 -5.770 4.374 1.00 0.00 H new ATOM 0 HA THR A 366 59.266 -8.308 5.365 1.00 0.00 H new ATOM 0 HB THR A 366 59.649 -7.205 2.568 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.491 -6.332 2.727 1.00 0.00 H new ATOM 0 HG21 THR A 366 57.706 -8.555 1.935 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.061 -9.527 2.556 1.00 0.00 H new ATOM 0 HG23 THR A 366 57.645 -9.213 3.588 1.00 0.00 H new ATOM 439 N HIS A 367 61.827 -7.840 3.393 1.00 0.00 N ATOM 440 CA HIS A 367 62.867 -8.381 2.585 1.00 0.00 C ATOM 441 C HIS A 367 64.173 -8.170 3.241 1.00 0.00 C ATOM 442 O HIS A 367 64.403 -7.105 3.802 1.00 0.00 O ATOM 443 CB HIS A 367 62.844 -7.690 1.189 1.00 0.00 C ATOM 444 CG HIS A 367 61.682 -8.075 0.280 1.00 0.00 C ATOM 445 ND1 HIS A 367 60.994 -7.142 -0.495 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.186 -9.300 0.030 1.00 0.00 C ATOM 447 CE1 HIS A 367 60.111 -7.875 -1.184 1.00 0.00 C ATOM 448 NE2 HIS A 367 60.198 -9.169 -0.888 1.00 0.00 N ATOM 0 H HIS A 367 61.806 -6.820 3.403 1.00 0.00 H new ATOM 0 HA HIS A 367 62.713 -9.452 2.457 1.00 0.00 H new ATOM 0 HB2 HIS A 367 62.822 -6.611 1.339 1.00 0.00 H new ATOM 0 HB3 HIS A 367 63.776 -7.921 0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 367 61.517 -10.224 0.481 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.411 -7.464 -1.896 1.00 0.00 H new ATOM 0 HE2 HIS A 367 59.629 -9.920 -1.278 1.00 0.00 H new ATOM 456 N SER A 368 65.022 -9.148 3.157 1.00 0.00 N ATOM 457 CA SER A 368 66.308 -9.049 3.728 1.00 0.00 C ATOM 458 C SER A 368 67.231 -8.193 2.933 1.00 0.00 C ATOM 459 O SER A 368 67.051 -8.031 1.728 1.00 0.00 O ATOM 460 CB SER A 368 66.862 -10.407 4.072 1.00 0.00 C ATOM 461 OG SER A 368 66.666 -11.342 3.040 1.00 0.00 O ATOM 0 H SER A 368 64.832 -10.034 2.688 1.00 0.00 H new ATOM 0 HA SER A 368 66.207 -8.520 4.676 1.00 0.00 H new ATOM 0 HB2 SER A 368 67.928 -10.319 4.282 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.387 -10.770 4.983 1.00 0.00 H new ATOM 0 HG SER A 368 67.042 -12.207 3.306 1.00 0.00 H new ATOM 467 N LEU A 369 68.192 -7.620 3.633 1.00 0.00 N ATOM 468 CA LEU A 369 69.156 -6.677 3.128 1.00 0.00 C ATOM 469 C LEU A 369 69.748 -7.110 1.822 1.00 0.00 C ATOM 470 O LEU A 369 69.799 -6.312 0.860 1.00 0.00 O ATOM 471 CB LEU A 369 70.228 -6.434 4.217 1.00 0.00 C ATOM 472 CG LEU A 369 71.430 -5.503 3.907 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.515 -6.227 3.117 1.00 0.00 C ATOM 474 CD2 LEU A 369 70.968 -4.313 3.110 1.00 0.00 C ATOM 0 H LEU A 369 68.323 -7.816 4.625 1.00 0.00 H new ATOM 0 HA LEU A 369 68.655 -5.734 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 369 69.719 -6.031 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.632 -7.406 4.502 1.00 0.00 H new ATOM 0 HG LEU A 369 71.847 -5.183 4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.340 -5.542 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 369 72.880 -7.077 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.102 -6.580 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 369 71.818 -3.665 2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.527 -4.652 2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.224 -3.759 3.682 1.00 0.00 H new ATOM 486 N THR A 370 70.115 -8.354 1.741 1.00 0.00 N ATOM 487 CA THR A 370 70.771 -8.833 0.554 1.00 0.00 C ATOM 488 C THR A 370 69.816 -8.800 -0.638 1.00 0.00 C ATOM 489 O THR A 370 70.210 -8.511 -1.760 1.00 0.00 O ATOM 490 CB THR A 370 71.347 -10.232 0.752 1.00 0.00 C ATOM 491 OG1 THR A 370 72.173 -10.236 1.940 1.00 0.00 O ATOM 492 CG2 THR A 370 72.194 -10.616 -0.448 1.00 0.00 C ATOM 0 H THR A 370 69.975 -9.052 2.472 1.00 0.00 H new ATOM 0 HA THR A 370 71.607 -8.165 0.346 1.00 0.00 H new ATOM 0 HB THR A 370 70.533 -10.949 0.859 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.546 -11.132 2.076 1.00 0.00 H new ATOM 0 HG21 THR A 370 72.602 -11.616 -0.300 1.00 0.00 H new ATOM 0 HG22 THR A 370 71.578 -10.605 -1.347 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.011 -9.903 -0.560 1.00 0.00 H new ATOM 500 N GLN A 371 68.542 -8.966 -0.352 1.00 0.00 N ATOM 501 CA GLN A 371 67.534 -9.049 -1.397 1.00 0.00 C ATOM 502 C GLN A 371 67.316 -7.676 -1.981 1.00 0.00 C ATOM 503 O GLN A 371 66.964 -7.535 -3.146 1.00 0.00 O ATOM 504 CB GLN A 371 66.210 -9.575 -0.856 1.00 0.00 C ATOM 505 CG GLN A 371 66.361 -10.722 0.112 1.00 0.00 C ATOM 506 CD GLN A 371 65.061 -11.445 0.405 1.00 0.00 C ATOM 507 OE1 GLN A 371 63.991 -10.722 0.405 1.00 0.00 O flip ATOM 508 NE2 GLN A 371 65.034 -12.647 0.666 1.00 0.00 N flip ATOM 0 H GLN A 371 68.176 -9.047 0.596 1.00 0.00 H new ATOM 0 HA GLN A 371 67.890 -9.741 -2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 371 65.681 -8.761 -0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 371 65.589 -9.896 -1.692 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.080 -11.435 -0.292 1.00 0.00 H new ATOM 0 HG3 GLN A 371 66.776 -10.345 1.047 1.00 0.00 H new ATOM 0 HE21 GLN A 371 65.897 -13.190 0.657 1.00 0.00 H new ATOM 0 HE22 GLN A 371 64.148 -13.100 0.891 1.00 0.00 H new ATOM 517 N ARG A 372 67.531 -6.655 -1.156 1.00 0.00 N ATOM 518 CA ARG A 372 67.390 -5.296 -1.632 1.00 0.00 C ATOM 519 C ARG A 372 68.575 -4.919 -2.500 1.00 0.00 C ATOM 520 O ARG A 372 68.397 -4.317 -3.543 1.00 0.00 O ATOM 521 CB ARG A 372 67.254 -4.232 -0.549 1.00 0.00 C ATOM 522 CG ARG A 372 66.044 -4.279 0.361 1.00 0.00 C ATOM 523 CD ARG A 372 66.228 -5.290 1.435 1.00 0.00 C ATOM 524 NE ARG A 372 65.653 -4.889 2.691 1.00 0.00 N ATOM 525 CZ ARG A 372 66.309 -4.272 3.682 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.485 -3.718 3.462 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.759 -4.182 4.873 1.00 0.00 N ATOM 0 H ARG A 372 67.798 -6.746 -0.176 1.00 0.00 H new ATOM 0 HA ARG A 372 66.452 -5.305 -2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.143 -4.282 0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.264 -3.258 -1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 372 65.879 -3.297 0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.155 -4.519 -0.222 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.778 -6.232 1.120 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.293 -5.476 1.573 1.00 0.00 H new ATOM 0 HE ARG A 372 64.664 -5.091 2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 372 67.901 -3.758 2.532 1.00 0.00 H new ATOM 0 HH12 ARG A 372 67.978 -3.250 4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.835 -4.582 5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.256 -3.713 5.630 1.00 0.00 H new ATOM 541 N ARG A 373 69.797 -5.278 -2.044 1.00 0.00 N ATOM 542 CA ARG A 373 71.031 -5.001 -2.810 1.00 0.00 C ATOM 543 C ARG A 373 71.002 -5.723 -4.154 1.00 0.00 C ATOM 544 O ARG A 373 71.540 -5.246 -5.161 1.00 0.00 O ATOM 545 CB ARG A 373 72.248 -5.494 -2.037 1.00 0.00 C ATOM 546 CG ARG A 373 72.663 -4.631 -0.876 1.00 0.00 C ATOM 547 CD ARG A 373 73.877 -5.221 -0.201 1.00 0.00 C ATOM 548 NE ARG A 373 74.563 -4.267 0.661 1.00 0.00 N ATOM 549 CZ ARG A 373 75.684 -4.523 1.324 1.00 0.00 C ATOM 550 NH1 ARG A 373 76.138 -5.775 1.432 1.00 0.00 N ATOM 551 NH2 ARG A 373 76.322 -3.530 1.908 1.00 0.00 N ATOM 0 H ARG A 373 69.953 -5.756 -1.157 1.00 0.00 H new ATOM 0 HA ARG A 373 71.091 -3.924 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.041 -6.498 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.088 -5.576 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.885 -3.622 -1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.844 -4.549 -0.162 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.574 -6.085 0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 373 74.570 -5.581 -0.961 1.00 0.00 H new ATOM 0 HE ARG A 373 74.153 -3.338 0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.622 -6.543 1.003 1.00 0.00 H new ATOM 0 HH12 ARG A 373 77.000 -5.962 1.943 1.00 0.00 H new ATOM 0 HH21 ARG A 373 75.953 -2.581 1.847 1.00 0.00 H new ATOM 0 HH22 ARG A 373 77.185 -3.710 2.421 1.00 0.00 H new ATOM 565 N ALA A 374 70.394 -6.883 -4.141 1.00 0.00 N ATOM 566 CA ALA A 374 70.278 -7.734 -5.324 1.00 0.00 C ATOM 567 C ALA A 374 69.410 -7.129 -6.442 1.00 0.00 C ATOM 568 O ALA A 374 69.585 -7.465 -7.615 1.00 0.00 O ATOM 569 CB ALA A 374 69.744 -9.100 -4.935 1.00 0.00 C ATOM 0 H ALA A 374 69.958 -7.277 -3.307 1.00 0.00 H new ATOM 0 HA ALA A 374 71.285 -7.824 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 374 69.662 -9.725 -5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.425 -9.568 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 374 68.761 -8.989 -4.477 1.00 0.00 H new ATOM 575 N VAL A 375 68.487 -6.262 -6.097 1.00 0.00 N ATOM 576 CA VAL A 375 67.587 -5.719 -7.095 1.00 0.00 C ATOM 577 C VAL A 375 67.982 -4.319 -7.535 1.00 0.00 C ATOM 578 O VAL A 375 68.191 -3.419 -6.707 1.00 0.00 O ATOM 579 CB VAL A 375 66.099 -5.733 -6.635 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.861 -4.831 -5.437 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.174 -5.359 -7.778 1.00 0.00 C ATOM 0 H VAL A 375 68.338 -5.920 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 375 67.679 -6.384 -7.954 1.00 0.00 H new ATOM 0 HB VAL A 375 65.872 -6.753 -6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.810 -4.874 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.477 -5.165 -4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.126 -3.806 -5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.141 -5.376 -7.431 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.421 -4.358 -8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.295 -6.073 -8.592 1.00 0.00 H new ATOM 591 N GLN A 376 68.063 -4.122 -8.822 1.00 0.00 N ATOM 592 CA GLN A 376 68.312 -2.818 -9.348 1.00 0.00 C ATOM 593 C GLN A 376 67.009 -2.080 -9.645 1.00 0.00 C ATOM 594 O GLN A 376 66.535 -2.026 -10.788 1.00 0.00 O ATOM 595 CB GLN A 376 69.261 -2.847 -10.527 1.00 0.00 C ATOM 596 CG GLN A 376 68.979 -3.951 -11.520 1.00 0.00 C ATOM 597 CD GLN A 376 69.922 -3.918 -12.679 1.00 0.00 C ATOM 598 OE1 GLN A 376 71.056 -3.465 -12.559 1.00 0.00 O ATOM 599 NE2 GLN A 376 69.493 -4.407 -13.783 1.00 0.00 N ATOM 0 H GLN A 376 67.959 -4.854 -9.524 1.00 0.00 H new ATOM 0 HA GLN A 376 68.824 -2.245 -8.575 1.00 0.00 H new ATOM 0 HB2 GLN A 376 69.212 -1.888 -11.043 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.280 -2.958 -10.157 1.00 0.00 H new ATOM 0 HG2 GLN A 376 69.054 -4.916 -11.019 1.00 0.00 H new ATOM 0 HG3 GLN A 376 67.955 -3.859 -11.883 1.00 0.00 H new ATOM 0 HE21 GLN A 376 68.543 -4.774 -13.843 1.00 0.00 H new ATOM 0 HE22 GLN A 376 70.101 -4.429 -14.602 1.00 0.00 H new ATOM 608 N GLY A 377 66.386 -1.629 -8.580 1.00 0.00 N ATOM 609 CA GLY A 377 65.159 -0.858 -8.666 1.00 0.00 C ATOM 610 C GLY A 377 65.446 0.604 -8.619 1.00 0.00 C ATOM 611 O GLY A 377 64.940 1.387 -9.415 1.00 0.00 O ATOM 0 H GLY A 377 66.713 -1.785 -7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.636 -1.101 -9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.496 -1.129 -7.845 1.00 0.00 H new ATOM 615 N ARG A 378 66.318 0.954 -7.738 1.00 0.00 N ATOM 616 CA ARG A 378 66.690 2.308 -7.495 1.00 0.00 C ATOM 617 C ARG A 378 67.583 2.766 -8.614 1.00 0.00 C ATOM 618 O ARG A 378 68.053 1.958 -9.423 1.00 0.00 O ATOM 619 CB ARG A 378 67.461 2.325 -6.215 1.00 0.00 C ATOM 620 CG ARG A 378 66.733 1.675 -5.067 1.00 0.00 C ATOM 621 CD ARG A 378 67.718 1.124 -4.127 1.00 0.00 C ATOM 622 NE ARG A 378 67.051 0.164 -3.312 1.00 0.00 N ATOM 623 CZ ARG A 378 66.871 -1.095 -3.698 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.238 -1.463 -4.912 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.336 -1.968 -2.884 1.00 0.00 N ATOM 0 H ARG A 378 66.809 0.284 -7.146 1.00 0.00 H new ATOM 0 HA ARG A 378 65.818 2.959 -7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.413 1.816 -6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.690 3.358 -5.952 1.00 0.00 H new ATOM 0 HG2 ARG A 378 66.098 2.404 -4.563 1.00 0.00 H new ATOM 0 HG3 ARG A 378 66.080 0.884 -5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.543 0.660 -4.667 1.00 0.00 H new ATOM 0 HD3 ARG A 378 68.145 1.917 -3.512 1.00 0.00 H new ATOM 0 HE ARG A 378 66.699 0.454 -2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.657 -0.783 -5.546 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.103 -2.427 -5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 378 66.054 -1.684 -1.946 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.201 -2.932 -3.187 1.00 0.00 H new ATOM 639 N ARG A 379 67.828 4.026 -8.663 1.00 0.00 N ATOM 640 CA ARG A 379 68.677 4.567 -9.685 1.00 0.00 C ATOM 641 C ARG A 379 70.115 4.612 -9.212 1.00 0.00 C ATOM 642 O ARG A 379 71.020 4.967 -9.953 1.00 0.00 O ATOM 643 CB ARG A 379 68.178 5.935 -10.119 1.00 0.00 C ATOM 644 CG ARG A 379 68.044 6.946 -9.034 1.00 0.00 C ATOM 645 CD ARG A 379 67.356 8.160 -9.555 1.00 0.00 C ATOM 646 NE ARG A 379 68.125 8.821 -10.610 1.00 0.00 N ATOM 647 CZ ARG A 379 67.949 10.077 -11.014 1.00 0.00 C ATOM 648 NH1 ARG A 379 66.953 10.803 -10.522 1.00 0.00 N ATOM 649 NH2 ARG A 379 68.757 10.586 -11.930 1.00 0.00 N ATOM 0 H ARG A 379 67.455 4.712 -8.007 1.00 0.00 H new ATOM 0 HA ARG A 379 68.642 3.914 -10.557 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.859 6.327 -10.874 1.00 0.00 H new ATOM 0 HB3 ARG A 379 67.207 5.812 -10.598 1.00 0.00 H new ATOM 0 HG2 ARG A 379 67.479 6.526 -8.202 1.00 0.00 H new ATOM 0 HG3 ARG A 379 69.029 7.212 -8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 379 66.376 7.882 -9.942 1.00 0.00 H new ATOM 0 HD3 ARG A 379 67.189 8.860 -8.737 1.00 0.00 H new ATOM 0 HE ARG A 379 68.853 8.276 -11.072 1.00 0.00 H new ATOM 0 HH11 ARG A 379 66.320 10.399 -9.832 1.00 0.00 H new ATOM 0 HH12 ARG A 379 66.821 11.765 -10.834 1.00 0.00 H new ATOM 0 HH21 ARG A 379 69.508 10.017 -12.321 1.00 0.00 H new ATOM 0 HH22 ARG A 379 68.629 11.548 -12.245 1.00 0.00 H new ATOM 663 N LYS A 380 70.313 4.249 -7.956 1.00 0.00 N ATOM 664 CA LYS A 380 71.580 4.254 -7.336 1.00 0.00 C ATOM 665 C LYS A 380 71.734 2.893 -6.713 1.00 0.00 C ATOM 666 O LYS A 380 70.820 2.074 -6.826 1.00 0.00 O ATOM 667 CB LYS A 380 71.526 5.306 -6.243 1.00 0.00 C ATOM 668 CG LYS A 380 70.859 6.573 -6.689 1.00 0.00 C ATOM 669 CD LYS A 380 70.493 7.462 -5.555 1.00 0.00 C ATOM 670 CE LYS A 380 69.593 8.572 -6.063 1.00 0.00 C ATOM 671 NZ LYS A 380 69.289 9.557 -5.006 1.00 0.00 N ATOM 0 H LYS A 380 69.560 3.938 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 380 72.401 4.466 -8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 380 70.992 4.903 -5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.540 5.531 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.524 7.110 -7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 380 69.961 6.326 -7.255 1.00 0.00 H new ATOM 0 HD2 LYS A 380 69.984 6.891 -4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 380 71.391 7.883 -5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 380 70.074 9.075 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 380 68.664 8.144 -6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 68.672 10.300 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 68.807 9.081 -4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 70.174 9.984 -4.665 1.00 0.00 H new ATOM 685 N ARG A 381 72.856 2.632 -6.072 1.00 0.00 N ATOM 686 CA ARG A 381 73.015 1.386 -5.322 1.00 0.00 C ATOM 687 C ARG A 381 72.062 1.406 -4.185 1.00 0.00 C ATOM 688 O ARG A 381 71.592 2.465 -3.770 1.00 0.00 O ATOM 689 CB ARG A 381 74.415 1.220 -4.739 1.00 0.00 C ATOM 690 CG ARG A 381 75.503 1.276 -5.738 1.00 0.00 C ATOM 691 CD ARG A 381 76.851 0.966 -5.110 1.00 0.00 C ATOM 692 NE ARG A 381 77.939 1.044 -6.091 1.00 0.00 N ATOM 693 CZ ARG A 381 79.228 1.300 -5.799 1.00 0.00 C ATOM 694 NH1 ARG A 381 79.624 1.435 -4.533 1.00 0.00 N ATOM 695 NH2 ARG A 381 80.127 1.397 -6.775 1.00 0.00 N ATOM 0 H ARG A 381 73.666 3.252 -6.050 1.00 0.00 H new ATOM 0 HA ARG A 381 72.834 0.563 -6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.580 2.000 -3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.467 0.265 -4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.301 0.564 -6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 381 75.531 2.267 -6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 381 77.043 1.666 -4.297 1.00 0.00 H new ATOM 0 HD3 ARG A 381 76.827 -0.032 -4.672 1.00 0.00 H new ATOM 0 HE ARG A 381 77.700 0.892 -7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 381 78.948 1.344 -3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 381 80.603 1.629 -4.323 1.00 0.00 H new ATOM 0 HH21 ARG A 381 79.840 1.277 -7.746 1.00 0.00 H new ATOM 0 HH22 ARG A 381 81.103 1.591 -6.552 1.00 0.00 H new ATOM 709 N PHE A 382 71.809 0.292 -3.653 1.00 0.00 N ATOM 710 CA PHE A 382 70.900 0.207 -2.573 1.00 0.00 C ATOM 711 C PHE A 382 71.465 0.833 -1.312 1.00 0.00 C ATOM 712 O PHE A 382 70.763 1.495 -0.586 1.00 0.00 O ATOM 713 CB PHE A 382 70.456 -1.224 -2.326 1.00 0.00 C ATOM 714 CG PHE A 382 69.673 -1.359 -1.060 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.549 -0.610 -0.883 1.00 0.00 C ATOM 716 CD2 PHE A 382 70.081 -2.176 -0.042 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.830 -0.659 0.250 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.358 -2.218 1.121 1.00 0.00 C ATOM 719 CZ PHE A 382 68.231 -1.458 1.253 1.00 0.00 C ATOM 0 H PHE A 382 72.219 -0.596 -3.943 1.00 0.00 H new ATOM 0 HA PHE A 382 70.017 0.781 -2.854 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.849 -1.565 -3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.331 -1.872 -2.281 1.00 0.00 H new ATOM 0 HD1 PHE A 382 68.226 0.044 -1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 382 70.967 -2.784 -0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.937 -0.061 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 382 69.679 -2.852 1.934 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.659 -1.499 2.168 1.00 0.00 H new ATOM 729 N ASP A 383 72.713 0.661 -1.102 1.00 0.00 N ATOM 730 CA ASP A 383 73.358 1.137 0.115 1.00 0.00 C ATOM 731 C ASP A 383 73.429 2.644 0.129 1.00 0.00 C ATOM 732 O ASP A 383 73.271 3.276 1.168 1.00 0.00 O ATOM 733 CB ASP A 383 74.761 0.610 0.233 1.00 0.00 C ATOM 734 CG ASP A 383 74.884 -0.903 0.281 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.364 -1.535 1.217 1.00 0.00 O ATOM 736 OD2 ASP A 383 75.565 -1.489 -0.597 1.00 0.00 O ATOM 0 H ASP A 383 73.340 0.189 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 383 72.757 0.777 0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.342 0.979 -0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 383 75.212 1.024 1.135 1.00 0.00 H new ATOM 741 N VAL A 384 73.667 3.218 -1.027 1.00 0.00 N ATOM 742 CA VAL A 384 73.769 4.657 -1.158 1.00 0.00 C ATOM 743 C VAL A 384 72.400 5.267 -1.017 1.00 0.00 C ATOM 744 O VAL A 384 72.222 6.339 -0.452 1.00 0.00 O ATOM 745 CB VAL A 384 74.410 5.032 -2.511 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.496 4.804 -3.693 1.00 0.00 C ATOM 747 CG2 VAL A 384 75.029 6.417 -2.512 1.00 0.00 C ATOM 0 H VAL A 384 73.795 2.706 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 384 74.411 5.050 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 384 75.236 4.332 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 384 74.010 5.088 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 384 73.221 3.750 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.596 5.409 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.463 6.621 -3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.261 7.159 -2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.809 6.468 -1.752 1.00 0.00 H new ATOM 757 N LEU A 385 71.455 4.537 -1.502 1.00 0.00 N ATOM 758 CA LEU A 385 70.105 4.869 -1.458 1.00 0.00 C ATOM 759 C LEU A 385 69.594 4.765 -0.023 1.00 0.00 C ATOM 760 O LEU A 385 68.898 5.651 0.469 1.00 0.00 O ATOM 761 CB LEU A 385 69.378 3.898 -2.396 1.00 0.00 C ATOM 762 CG LEU A 385 67.932 4.120 -2.641 1.00 0.00 C ATOM 763 CD1 LEU A 385 67.185 3.489 -1.521 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.661 5.609 -2.735 1.00 0.00 C ATOM 0 H LEU A 385 71.633 3.645 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 385 69.928 5.895 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.887 3.920 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.498 2.892 -1.994 1.00 0.00 H new ATOM 0 HG LEU A 385 67.610 3.672 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 385 66.115 3.634 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.406 2.422 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.486 3.948 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.599 5.775 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.950 6.091 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 385 68.239 6.033 -3.556 1.00 0.00 H new ATOM 776 N LEU A 386 69.934 3.678 0.638 1.00 0.00 N ATOM 777 CA LEU A 386 69.487 3.467 2.003 1.00 0.00 C ATOM 778 C LEU A 386 70.078 4.531 2.888 1.00 0.00 C ATOM 779 O LEU A 386 69.469 4.930 3.871 1.00 0.00 O ATOM 780 CB LEU A 386 69.922 2.131 2.532 1.00 0.00 C ATOM 781 CG LEU A 386 68.851 1.229 3.186 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.512 0.116 3.971 1.00 0.00 C ATOM 783 CD2 LEU A 386 67.851 1.998 4.052 1.00 0.00 C ATOM 0 H LEU A 386 70.514 2.930 0.257 1.00 0.00 H new ATOM 0 HA LEU A 386 68.398 3.508 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.370 1.575 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.709 2.302 3.266 1.00 0.00 H new ATOM 0 HG LEU A 386 68.266 0.798 2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 386 68.747 -0.512 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.125 -0.487 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.141 0.545 4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.129 1.302 4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.382 2.508 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.328 2.732 3.439 1.00 0.00 H new ATOM 795 N ALA A 387 71.262 4.995 2.518 1.00 0.00 N ATOM 796 CA ALA A 387 71.930 6.059 3.235 1.00 0.00 C ATOM 797 C ALA A 387 71.052 7.303 3.236 1.00 0.00 C ATOM 798 O ALA A 387 70.918 7.979 4.258 1.00 0.00 O ATOM 799 CB ALA A 387 73.270 6.354 2.602 1.00 0.00 C ATOM 0 H ALA A 387 71.782 4.643 1.714 1.00 0.00 H new ATOM 0 HA ALA A 387 72.101 5.747 4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.763 7.157 3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.891 5.459 2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 387 73.124 6.660 1.566 1.00 0.00 H new ATOM 805 N GLU A 388 70.405 7.561 2.104 1.00 0.00 N ATOM 806 CA GLU A 388 69.503 8.676 1.961 1.00 0.00 C ATOM 807 C GLU A 388 68.282 8.431 2.822 1.00 0.00 C ATOM 808 O GLU A 388 67.759 9.346 3.465 1.00 0.00 O ATOM 809 CB GLU A 388 69.050 8.799 0.515 1.00 0.00 C ATOM 810 CG GLU A 388 70.157 8.829 -0.505 1.00 0.00 C ATOM 811 CD GLU A 388 69.697 9.288 -1.862 1.00 0.00 C ATOM 812 OE1 GLU A 388 68.997 8.549 -2.565 1.00 0.00 O ATOM 813 OE2 GLU A 388 70.047 10.426 -2.257 1.00 0.00 O ATOM 0 H GLU A 388 70.499 6.994 1.261 1.00 0.00 H new ATOM 0 HA GLU A 388 70.015 9.590 2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 388 68.390 7.963 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 388 68.459 9.709 0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.949 9.490 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 388 70.589 7.832 -0.592 1.00 0.00 H new ATOM 820 N HIS A 389 67.853 7.171 2.856 1.00 0.00 N ATOM 821 CA HIS A 389 66.715 6.782 3.627 1.00 0.00 C ATOM 822 C HIS A 389 66.947 6.987 5.074 1.00 0.00 C ATOM 823 O HIS A 389 66.140 7.533 5.706 1.00 0.00 O ATOM 824 CB HIS A 389 66.273 5.359 3.368 1.00 0.00 C ATOM 825 CG HIS A 389 65.054 5.043 4.112 1.00 0.00 C ATOM 826 ND1 HIS A 389 63.909 5.752 3.985 1.00 0.00 N ATOM 827 CD2 HIS A 389 64.874 4.210 5.116 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.081 5.386 4.894 1.00 0.00 C ATOM 829 NE2 HIS A 389 63.626 4.432 5.594 1.00 0.00 N ATOM 0 H HIS A 389 68.295 6.407 2.345 1.00 0.00 H new ATOM 0 HA HIS A 389 65.904 7.432 3.300 1.00 0.00 H new ATOM 0 HB2 HIS A 389 66.099 5.217 2.301 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.067 4.670 3.656 1.00 0.00 H new ATOM 0 HD2 HIS A 389 65.586 3.488 5.488 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.096 5.800 5.053 1.00 0.00 H new ATOM 0 HE2 HIS A 389 63.188 3.936 6.370 1.00 0.00 H new ATOM 838 N LYS A 390 68.018 6.505 5.581 1.00 0.00 N ATOM 839 CA LYS A 390 68.350 6.662 6.978 1.00 0.00 C ATOM 840 C LYS A 390 68.611 8.079 7.327 1.00 0.00 C ATOM 841 O LYS A 390 68.481 8.461 8.455 1.00 0.00 O ATOM 842 CB LYS A 390 69.460 5.759 7.315 1.00 0.00 C ATOM 843 CG LYS A 390 69.139 4.350 6.857 1.00 0.00 C ATOM 844 CD LYS A 390 67.825 3.838 7.454 1.00 0.00 C ATOM 845 CE LYS A 390 68.049 3.387 8.878 1.00 0.00 C ATOM 846 NZ LYS A 390 69.126 2.361 8.987 1.00 0.00 N ATOM 0 H LYS A 390 68.710 5.980 5.045 1.00 0.00 H new ATOM 0 HA LYS A 390 67.495 6.378 7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.378 6.105 6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.635 5.770 8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.076 4.328 5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 390 69.952 3.682 7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.072 4.625 7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 390 67.442 3.010 6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.309 4.249 9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.120 2.979 9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.074 1.901 9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.002 1.647 8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.054 2.818 8.878 1.00 0.00 H new ATOM 860 N ASN A 391 69.028 8.848 6.389 1.00 0.00 N ATOM 861 CA ASN A 391 69.123 10.257 6.634 1.00 0.00 C ATOM 862 C ASN A 391 67.709 10.860 6.905 1.00 0.00 C ATOM 863 O ASN A 391 67.572 11.856 7.617 1.00 0.00 O ATOM 864 CB ASN A 391 69.860 10.985 5.502 1.00 0.00 C ATOM 865 CG ASN A 391 71.357 11.133 5.742 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.808 12.117 6.326 1.00 0.00 O ATOM 867 ND2 ASN A 391 72.133 10.180 5.299 1.00 0.00 N ATOM 0 H ASN A 391 69.307 8.542 5.457 1.00 0.00 H new ATOM 0 HA ASN A 391 69.723 10.406 7.531 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.702 10.442 4.570 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.422 11.975 5.373 1.00 0.00 H new ATOM 0 HD21 ASN A 391 73.142 10.240 5.434 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.730 9.376 4.818 1.00 0.00 H new ATOM 874 N LYS A 392 66.679 10.268 6.284 1.00 0.00 N ATOM 875 CA LYS A 392 65.284 10.627 6.517 1.00 0.00 C ATOM 876 C LYS A 392 64.623 9.754 7.634 1.00 0.00 C ATOM 877 O LYS A 392 64.282 10.239 8.704 1.00 0.00 O ATOM 878 CB LYS A 392 64.498 10.477 5.219 1.00 0.00 C ATOM 879 CG LYS A 392 63.011 10.763 5.349 1.00 0.00 C ATOM 880 CD LYS A 392 62.625 12.261 5.309 1.00 0.00 C ATOM 881 CE LYS A 392 63.137 13.073 6.494 1.00 0.00 C ATOM 882 NZ LYS A 392 62.591 14.443 6.498 1.00 0.00 N ATOM 0 H LYS A 392 66.798 9.520 5.601 1.00 0.00 H new ATOM 0 HA LYS A 392 65.263 11.662 6.857 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.921 11.149 4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.629 9.462 4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.486 10.247 4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.655 10.337 6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 392 63.012 12.699 4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 392 61.539 12.343 5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 392 62.865 12.571 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 392 64.226 13.116 6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 62.963 14.962 7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 62.871 14.931 5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 61.553 14.403 6.555 1.00 0.00 H new ATOM 896 N THR A 393 64.481 8.467 7.355 1.00 0.00 N ATOM 897 CA THR A 393 63.865 7.505 8.229 1.00 0.00 C ATOM 898 C THR A 393 64.895 6.486 8.722 1.00 0.00 C ATOM 899 O THR A 393 64.996 5.335 8.286 1.00 0.00 O ATOM 900 CB THR A 393 62.745 6.772 7.563 1.00 0.00 C ATOM 901 OG1 THR A 393 61.814 7.718 7.006 1.00 0.00 O ATOM 902 CG2 THR A 393 62.032 5.833 8.542 1.00 0.00 C ATOM 0 H THR A 393 64.807 8.058 6.479 1.00 0.00 H new ATOM 0 HA THR A 393 63.459 8.066 9.071 1.00 0.00 H new ATOM 0 HB THR A 393 63.161 6.159 6.764 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.081 7.237 6.568 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.223 5.315 8.026 1.00 0.00 H new ATOM 0 HG22 THR A 393 62.743 5.102 8.928 1.00 0.00 H new ATOM 0 HG23 THR A 393 61.622 6.413 9.369 1.00 0.00 H new ATOM 910 N ARG A 394 65.720 7.020 9.445 1.00 0.00 N ATOM 911 CA ARG A 394 66.745 6.418 10.299 1.00 0.00 C ATOM 912 C ARG A 394 66.183 5.368 11.336 1.00 0.00 C ATOM 913 O ARG A 394 66.849 5.011 12.302 1.00 0.00 O ATOM 914 CB ARG A 394 67.449 7.591 10.999 1.00 0.00 C ATOM 915 CG ARG A 394 68.712 7.278 11.761 1.00 0.00 C ATOM 916 CD ARG A 394 69.596 6.283 11.053 1.00 0.00 C ATOM 917 NE ARG A 394 70.736 5.870 11.873 1.00 0.00 N ATOM 918 CZ ARG A 394 71.919 5.446 11.410 1.00 0.00 C ATOM 919 NH1 ARG A 394 72.251 5.640 10.137 1.00 0.00 N ATOM 920 NH2 ARG A 394 72.801 4.903 12.248 1.00 0.00 N ATOM 0 H ARG A 394 65.753 8.037 9.509 1.00 0.00 H new ATOM 0 HA ARG A 394 67.433 5.831 9.690 1.00 0.00 H new ATOM 0 HB2 ARG A 394 67.686 8.342 10.245 1.00 0.00 H new ATOM 0 HB3 ARG A 394 66.741 8.047 11.691 1.00 0.00 H new ATOM 0 HG2 ARG A 394 69.270 8.200 11.923 1.00 0.00 H new ATOM 0 HG3 ARG A 394 68.449 6.887 12.744 1.00 0.00 H new ATOM 0 HD2 ARG A 394 69.008 5.405 10.784 1.00 0.00 H new ATOM 0 HD3 ARG A 394 69.960 6.721 10.123 1.00 0.00 H new ATOM 0 HE ARG A 394 70.619 5.908 12.886 1.00 0.00 H new ATOM 0 HH11 ARG A 394 71.603 6.114 9.508 1.00 0.00 H new ATOM 0 HH12 ARG A 394 73.153 5.315 9.790 1.00 0.00 H new ATOM 0 HH21 ARG A 394 72.574 4.811 13.238 1.00 0.00 H new ATOM 0 HH22 ARG A 394 73.703 4.579 11.899 1.00 0.00 H new ATOM 934 N GLU A 395 65.004 4.880 11.117 1.00 0.00 N ATOM 935 CA GLU A 395 64.407 3.928 11.986 1.00 0.00 C ATOM 936 C GLU A 395 64.556 2.552 11.401 1.00 0.00 C ATOM 937 O GLU A 395 63.921 2.206 10.390 1.00 0.00 O ATOM 938 CB GLU A 395 62.962 4.271 12.177 1.00 0.00 C ATOM 939 CG GLU A 395 62.766 5.660 12.719 1.00 0.00 C ATOM 940 CD GLU A 395 61.321 6.024 12.805 1.00 0.00 C ATOM 941 OE1 GLU A 395 60.673 5.709 13.823 1.00 0.00 O ATOM 942 OE2 GLU A 395 60.794 6.629 11.854 1.00 0.00 O ATOM 0 H GLU A 395 64.424 5.137 10.318 1.00 0.00 H new ATOM 0 HA GLU A 395 64.902 3.946 12.957 1.00 0.00 H new ATOM 0 HB2 GLU A 395 62.441 4.180 11.224 1.00 0.00 H new ATOM 0 HB3 GLU A 395 62.508 3.551 12.858 1.00 0.00 H new ATOM 0 HG2 GLU A 395 63.218 5.731 13.708 1.00 0.00 H new ATOM 0 HG3 GLU A 395 63.283 6.376 12.080 1.00 0.00 H new ATOM 949 N LYS A 396 65.432 1.797 11.971 1.00 0.00 N ATOM 950 CA LYS A 396 65.649 0.464 11.531 1.00 0.00 C ATOM 951 C LYS A 396 64.898 -0.472 12.449 1.00 0.00 C ATOM 952 O LYS A 396 64.986 -0.344 13.670 1.00 0.00 O ATOM 953 CB LYS A 396 67.146 0.119 11.567 1.00 0.00 C ATOM 954 CG LYS A 396 67.488 -1.300 11.110 1.00 0.00 C ATOM 955 CD LYS A 396 67.279 -1.470 9.623 1.00 0.00 C ATOM 956 CE LYS A 396 67.482 -2.917 9.175 1.00 0.00 C ATOM 957 NZ LYS A 396 66.485 -3.849 9.753 1.00 0.00 N ATOM 0 H LYS A 396 66.017 2.087 12.755 1.00 0.00 H new ATOM 0 HA LYS A 396 65.295 0.361 10.505 1.00 0.00 H new ATOM 0 HB2 LYS A 396 67.683 0.828 10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 396 67.512 0.256 12.585 1.00 0.00 H new ATOM 0 HG2 LYS A 396 68.525 -1.524 11.360 1.00 0.00 H new ATOM 0 HG3 LYS A 396 66.868 -2.016 11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 396 66.272 -1.148 9.360 1.00 0.00 H new ATOM 0 HD3 LYS A 396 67.972 -0.824 9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 396 67.428 -2.965 8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 396 68.483 -3.242 9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 66.733 -4.826 9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 66.480 -3.754 10.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 65.541 -3.622 9.380 1.00 0.00 H new ATOM 971 N GLU A 397 64.138 -1.360 11.880 1.00 0.00 N ATOM 972 CA GLU A 397 63.482 -2.376 12.633 1.00 0.00 C ATOM 973 C GLU A 397 64.538 -3.392 12.989 1.00 0.00 C ATOM 974 O GLU A 397 65.102 -4.063 12.106 1.00 0.00 O ATOM 975 CB GLU A 397 62.324 -2.978 11.799 1.00 0.00 C ATOM 976 CG GLU A 397 61.460 -4.046 12.486 1.00 0.00 C ATOM 977 CD GLU A 397 62.050 -5.447 12.470 1.00 0.00 C ATOM 978 OE1 GLU A 397 62.786 -5.821 13.398 1.00 0.00 O ATOM 979 OE2 GLU A 397 61.775 -6.211 11.521 1.00 0.00 O ATOM 0 H GLU A 397 63.958 -1.396 10.877 1.00 0.00 H new ATOM 0 HA GLU A 397 63.028 -1.992 13.546 1.00 0.00 H new ATOM 0 HB2 GLU A 397 61.672 -2.163 11.485 1.00 0.00 H new ATOM 0 HB3 GLU A 397 62.747 -3.414 10.894 1.00 0.00 H new ATOM 0 HG2 GLU A 397 61.293 -3.748 13.521 1.00 0.00 H new ATOM 0 HG3 GLU A 397 60.484 -4.072 12.001 1.00 0.00 H new TER 986 GLU A 397 HETATM 987 ZN ZN A 500 60.758 -5.078 -0.038 1.00 0.00 ZN