USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 539 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 38 HIS HE2 : A 38 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 72 HIS HE2 : A 72 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 18 HIS :FLIP no HE2:sc= -8.44! C(o=-11!,f=-7.8!) USER MOD Set 1.2: A 32 SER OG : rot 24:sc= 0.617 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.17) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-0.8) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 29 TYR OH : rot 41:sc= 0.029 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -2.48! C(o=-2.5!,f=-2.7!) USER MOD Single : A 36 LYS NZ :NH3+ -113:sc= -0.317 (180deg=-2.04!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -33:sc= 1.04 USER MOD Single : A 43 THR OG1 : rot -12:sc= 0.47 USER MOD Single : A 46 LYS NZ :NH3+ -119:sc= -0.0301 (180deg=-1.07) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 90:sc= 0.66 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -72:sc= 0.69 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.739 14.938 13.334 1.00 0.00 N ATOM 2 CA GLY A 1 31.518 14.671 12.598 1.00 0.00 C ATOM 3 C GLY A 1 30.343 15.482 13.111 1.00 0.00 C ATOM 4 O GLY A 1 29.326 14.924 13.521 1.00 0.00 O ATOM 0 H1 GLY A 1 33.512 14.360 12.946 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.983 15.945 13.248 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.599 14.700 14.337 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.677 14.894 11.543 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.281 13.609 12.667 1.00 0.00 H new ATOM 8 N SER A 2 30.484 16.803 13.090 1.00 0.00 N ATOM 9 CA SER A 2 29.429 17.693 13.561 1.00 0.00 C ATOM 10 C SER A 2 28.422 17.977 12.450 1.00 0.00 C ATOM 11 O SER A 2 27.654 18.936 12.525 1.00 0.00 O ATOM 12 CB SER A 2 30.029 19.006 14.070 1.00 0.00 C ATOM 13 OG SER A 2 30.852 18.785 15.202 1.00 0.00 O ATOM 0 H SER A 2 31.319 17.281 12.752 1.00 0.00 H new ATOM 0 HA SER A 2 28.909 17.198 14.381 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.613 19.474 13.278 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.229 19.699 14.328 1.00 0.00 H new ATOM 0 HG SER A 2 31.225 19.638 15.507 1.00 0.00 H new ATOM 19 N SER A 3 28.433 17.136 11.421 1.00 0.00 N ATOM 20 CA SER A 3 27.523 17.298 10.293 1.00 0.00 C ATOM 21 C SER A 3 26.148 16.723 10.617 1.00 0.00 C ATOM 22 O SER A 3 25.939 16.148 11.684 1.00 0.00 O ATOM 23 CB SER A 3 28.095 16.616 9.049 1.00 0.00 C ATOM 24 OG SER A 3 29.405 17.078 8.769 1.00 0.00 O ATOM 0 H SER A 3 29.061 16.336 11.345 1.00 0.00 H new ATOM 0 HA SER A 3 27.413 18.364 10.096 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.111 15.536 9.198 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.447 16.810 8.194 1.00 0.00 H new ATOM 0 HG SER A 3 29.748 16.625 7.970 1.00 0.00 H new ATOM 30 N GLY A 4 25.213 16.882 9.685 1.00 0.00 N ATOM 31 CA GLY A 4 23.869 16.374 9.889 1.00 0.00 C ATOM 32 C GLY A 4 23.379 15.543 8.719 1.00 0.00 C ATOM 33 O GLY A 4 23.855 15.701 7.595 1.00 0.00 O ATOM 0 H GLY A 4 25.362 17.353 8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.846 15.769 10.795 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.188 17.210 10.047 1.00 0.00 H new ATOM 37 N SER A 5 22.428 14.654 8.984 1.00 0.00 N ATOM 38 CA SER A 5 21.877 13.791 7.944 1.00 0.00 C ATOM 39 C SER A 5 20.369 13.980 7.825 1.00 0.00 C ATOM 40 O SER A 5 19.645 13.943 8.821 1.00 0.00 O ATOM 41 CB SER A 5 22.198 12.326 8.247 1.00 0.00 C ATOM 42 OG SER A 5 23.516 11.999 7.846 1.00 0.00 O ATOM 0 H SER A 5 22.023 14.512 9.909 1.00 0.00 H new ATOM 0 HA SER A 5 22.335 14.067 6.994 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.082 12.139 9.315 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.487 11.681 7.731 1.00 0.00 H new ATOM 0 HG SER A 5 23.697 11.058 8.052 1.00 0.00 H new ATOM 48 N SER A 6 19.899 14.183 6.597 1.00 0.00 N ATOM 49 CA SER A 6 18.478 14.382 6.346 1.00 0.00 C ATOM 50 C SER A 6 17.795 13.059 6.012 1.00 0.00 C ATOM 51 O SER A 6 18.455 12.046 5.789 1.00 0.00 O ATOM 52 CB SER A 6 18.274 15.377 5.201 1.00 0.00 C ATOM 53 OG SER A 6 18.538 16.703 5.625 1.00 0.00 O ATOM 0 H SER A 6 20.483 14.214 5.761 1.00 0.00 H new ATOM 0 HA SER A 6 18.028 14.785 7.253 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.931 15.120 4.370 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.251 15.307 4.832 1.00 0.00 H new ATOM 0 HG SER A 6 18.402 17.319 4.875 1.00 0.00 H new ATOM 59 N GLY A 7 16.465 13.078 5.980 1.00 0.00 N ATOM 60 CA GLY A 7 15.714 11.874 5.672 1.00 0.00 C ATOM 61 C GLY A 7 14.343 12.177 5.102 1.00 0.00 C ATOM 62 O GLY A 7 14.116 13.225 4.497 1.00 0.00 O ATOM 0 H GLY A 7 15.895 13.904 6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.276 11.271 4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.604 11.276 6.577 1.00 0.00 H new ATOM 66 N PRO A 8 13.398 11.245 5.294 1.00 0.00 N ATOM 67 CA PRO A 8 12.026 11.393 4.801 1.00 0.00 C ATOM 68 C PRO A 8 11.253 12.470 5.555 1.00 0.00 C ATOM 69 O PRO A 8 11.076 12.384 6.771 1.00 0.00 O ATOM 70 CB PRO A 8 11.407 10.016 5.053 1.00 0.00 C ATOM 71 CG PRO A 8 12.200 9.443 6.176 1.00 0.00 C ATOM 72 CD PRO A 8 13.598 9.971 6.007 1.00 0.00 C ATOM 0 HA PRO A 8 12.000 11.702 3.756 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.352 10.098 5.315 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.467 9.387 4.165 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.784 9.740 7.139 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.188 8.353 6.146 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.090 10.121 6.968 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.221 9.284 5.434 1.00 0.00 H new ATOM 80 N GLN A 9 10.795 13.482 4.826 1.00 0.00 N ATOM 81 CA GLN A 9 10.041 14.576 5.428 1.00 0.00 C ATOM 82 C GLN A 9 8.769 14.060 6.094 1.00 0.00 C ATOM 83 O GLN A 9 8.414 14.488 7.191 1.00 0.00 O ATOM 84 CB GLN A 9 9.688 15.623 4.370 1.00 0.00 C ATOM 85 CG GLN A 9 10.861 16.502 3.969 1.00 0.00 C ATOM 86 CD GLN A 9 11.353 17.374 5.109 1.00 0.00 C ATOM 87 OE1 GLN A 9 10.851 18.477 5.324 1.00 0.00 O ATOM 88 NE2 GLN A 9 12.341 16.880 5.847 1.00 0.00 N ATOM 0 H GLN A 9 10.932 13.568 3.819 1.00 0.00 H new ATOM 0 HA GLN A 9 10.667 15.038 6.192 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.304 15.117 3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.885 16.254 4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.679 15.872 3.619 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.566 17.136 3.133 1.00 0.00 H new ATOM 0 HE21 GLN A 9 12.727 15.961 5.633 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.713 17.420 6.628 1.00 0.00 H new ATOM 97 N ILE A 10 8.089 13.138 5.421 1.00 0.00 N ATOM 98 CA ILE A 10 6.857 12.563 5.948 1.00 0.00 C ATOM 99 C ILE A 10 6.799 11.061 5.692 1.00 0.00 C ATOM 100 O ILE A 10 7.392 10.559 4.737 1.00 0.00 O ATOM 101 CB ILE A 10 5.615 13.226 5.325 1.00 0.00 C ATOM 102 CG1 ILE A 10 5.579 12.978 3.816 1.00 0.00 C ATOM 103 CG2 ILE A 10 5.607 14.718 5.623 1.00 0.00 C ATOM 104 CD1 ILE A 10 4.235 13.273 3.187 1.00 0.00 C ATOM 0 H ILE A 10 8.370 12.773 4.511 1.00 0.00 H new ATOM 0 HA ILE A 10 6.857 12.747 7.022 1.00 0.00 H new ATOM 0 HB ILE A 10 4.723 12.782 5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.339 13.595 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.842 11.939 3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.723 15.174 5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.590 14.873 6.702 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.503 15.177 5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.283 13.075 2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.474 12.637 3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.978 14.320 3.351 1.00 0.00 H new ATOM 116 N ASP A 11 6.079 10.348 6.551 1.00 0.00 N ATOM 117 CA ASP A 11 5.939 8.902 6.418 1.00 0.00 C ATOM 118 C ASP A 11 4.795 8.551 5.471 1.00 0.00 C ATOM 119 O ASP A 11 3.991 9.411 5.108 1.00 0.00 O ATOM 120 CB ASP A 11 5.700 8.262 7.785 1.00 0.00 C ATOM 121 CG ASP A 11 4.588 8.946 8.558 1.00 0.00 C ATOM 122 OD1 ASP A 11 3.412 8.576 8.358 1.00 0.00 O ATOM 123 OD2 ASP A 11 4.895 9.850 9.363 1.00 0.00 O ATOM 0 H ASP A 11 5.583 10.748 7.347 1.00 0.00 H new ATOM 0 HA ASP A 11 6.866 8.510 6.000 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.452 7.209 7.652 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.621 8.301 8.367 1.00 0.00 H new ATOM 128 N SER A 12 4.729 7.285 5.075 1.00 0.00 N ATOM 129 CA SER A 12 3.685 6.821 4.166 1.00 0.00 C ATOM 130 C SER A 12 3.169 5.449 4.588 1.00 0.00 C ATOM 131 O SER A 12 3.940 4.502 4.737 1.00 0.00 O ATOM 132 CB SER A 12 4.218 6.760 2.734 1.00 0.00 C ATOM 133 OG SER A 12 4.687 8.028 2.309 1.00 0.00 O ATOM 0 H SER A 12 5.385 6.561 5.368 1.00 0.00 H new ATOM 0 HA SER A 12 2.858 7.530 4.208 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.026 6.031 2.674 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.430 6.417 2.064 1.00 0.00 H new ATOM 0 HG SER A 12 5.024 7.961 1.391 1.00 0.00 H new ATOM 139 N SER A 13 1.857 5.352 4.779 1.00 0.00 N ATOM 140 CA SER A 13 1.235 4.097 5.186 1.00 0.00 C ATOM 141 C SER A 13 -0.283 4.172 5.047 1.00 0.00 C ATOM 142 O SER A 13 -0.856 5.259 4.961 1.00 0.00 O ATOM 143 CB SER A 13 1.611 3.765 6.632 1.00 0.00 C ATOM 144 OG SER A 13 1.060 4.710 7.532 1.00 0.00 O ATOM 0 H SER A 13 1.205 6.127 4.659 1.00 0.00 H new ATOM 0 HA SER A 13 1.603 3.307 4.531 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.253 2.767 6.884 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.696 3.750 6.735 1.00 0.00 H new ATOM 0 HG SER A 13 1.313 4.475 8.449 1.00 0.00 H new ATOM 150 N ARG A 14 -0.926 3.010 5.026 1.00 0.00 N ATOM 151 CA ARG A 14 -2.377 2.943 4.896 1.00 0.00 C ATOM 152 C ARG A 14 -3.059 3.331 6.205 1.00 0.00 C ATOM 153 O ARG A 14 -4.268 3.560 6.242 1.00 0.00 O ATOM 154 CB ARG A 14 -2.809 1.536 4.481 1.00 0.00 C ATOM 155 CG ARG A 14 -4.158 1.493 3.783 1.00 0.00 C ATOM 156 CD ARG A 14 -4.023 1.759 2.291 1.00 0.00 C ATOM 157 NE ARG A 14 -3.451 0.617 1.582 1.00 0.00 N ATOM 158 CZ ARG A 14 -3.207 0.610 0.276 1.00 0.00 C ATOM 159 NH1 ARG A 14 -3.484 1.677 -0.459 1.00 0.00 N ATOM 160 NH2 ARG A 14 -2.685 -0.468 -0.297 1.00 0.00 N ATOM 0 H ARG A 14 -0.466 2.102 5.097 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.680 3.651 4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.053 1.114 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.847 0.901 5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.619 0.518 3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.822 2.234 4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.003 1.991 1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.394 2.635 2.134 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.227 -0.221 2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.886 2.507 -0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.296 1.669 -1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.471 -1.292 0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.498 -0.473 -1.300 1.00 0.00 H new ATOM 174 N ILE A 15 -2.275 3.401 7.275 1.00 0.00 N ATOM 175 CA ILE A 15 -2.803 3.761 8.586 1.00 0.00 C ATOM 176 C ILE A 15 -3.857 2.759 9.047 1.00 0.00 C ATOM 177 O ILE A 15 -4.937 3.141 9.497 1.00 0.00 O ATOM 178 CB ILE A 15 -3.422 5.171 8.575 1.00 0.00 C ATOM 179 CG1 ILE A 15 -2.426 6.184 8.007 1.00 0.00 C ATOM 180 CG2 ILE A 15 -3.851 5.571 9.979 1.00 0.00 C ATOM 181 CD1 ILE A 15 -3.086 7.379 7.356 1.00 0.00 C ATOM 0 H ILE A 15 -1.272 3.213 7.261 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.963 3.747 9.280 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.305 5.160 7.936 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.775 6.531 8.810 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.791 5.686 7.274 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.287 6.570 9.956 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.590 4.861 10.350 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.984 5.569 10.639 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.320 8.055 6.976 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.715 7.043 6.532 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.699 7.901 8.091 1.00 0.00 H new ATOM 193 N ARG A 16 -3.533 1.475 8.937 1.00 0.00 N ATOM 194 CA ARG A 16 -4.450 0.418 9.344 1.00 0.00 C ATOM 195 C ARG A 16 -4.519 0.313 10.864 1.00 0.00 C ATOM 196 O ARG A 16 -3.573 -0.140 11.509 1.00 0.00 O ATOM 197 CB ARG A 16 -4.014 -0.923 8.748 1.00 0.00 C ATOM 198 CG ARG A 16 -3.776 -0.875 7.248 1.00 0.00 C ATOM 199 CD ARG A 16 -3.420 -2.246 6.697 1.00 0.00 C ATOM 200 NE ARG A 16 -1.994 -2.532 6.822 1.00 0.00 N ATOM 201 CZ ARG A 16 -1.434 -3.669 6.420 1.00 0.00 C ATOM 202 NH1 ARG A 16 -2.178 -4.619 5.871 1.00 0.00 N ATOM 203 NH2 ARG A 16 -0.128 -3.856 6.569 1.00 0.00 N ATOM 0 H ARG A 16 -2.642 1.142 8.569 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.442 0.669 8.969 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.099 -1.250 9.242 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.777 -1.671 8.962 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.670 -0.502 6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.971 -0.173 7.028 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.991 -3.009 7.227 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.710 -2.302 5.648 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.394 -1.821 7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.182 -4.478 5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.747 -5.491 5.563 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.447 -3.127 6.992 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.301 -4.729 6.260 1.00 0.00 H new ATOM 217 N SER A 17 -5.644 0.735 11.431 1.00 0.00 N ATOM 218 CA SER A 17 -5.835 0.694 12.877 1.00 0.00 C ATOM 219 C SER A 17 -6.627 -0.545 13.284 1.00 0.00 C ATOM 220 O SER A 17 -6.113 -1.423 13.979 1.00 0.00 O ATOM 221 CB SER A 17 -6.558 1.955 13.354 1.00 0.00 C ATOM 222 OG SER A 17 -5.634 2.935 13.794 1.00 0.00 O ATOM 0 H SER A 17 -6.438 1.110 10.912 1.00 0.00 H new ATOM 0 HA SER A 17 -4.853 0.648 13.348 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.164 2.360 12.543 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.240 1.702 14.166 1.00 0.00 H new ATOM 0 HG SER A 17 -6.120 3.732 14.092 1.00 0.00 H new ATOM 228 N HIS A 18 -7.881 -0.608 12.848 1.00 0.00 N ATOM 229 CA HIS A 18 -8.745 -1.739 13.167 1.00 0.00 C ATOM 230 C HIS A 18 -8.079 -3.056 12.782 1.00 0.00 C ATOM 231 O HIS A 18 -8.024 -3.415 11.605 1.00 0.00 O ATOM 232 CB HIS A 18 -10.086 -1.602 12.446 1.00 0.00 C ATOM 233 CG HIS A 18 -11.023 -0.636 13.102 1.00 0.00 C ATOM 234 ND1 HIS A 18 -10.821 0.622 13.561 1.00 0.00 N flip ATOM 235 CD2 HIS A 18 -12.348 -0.925 13.354 1.00 0.00 C flip ATOM 236 CE1 HIS A 18 -12.015 1.065 14.074 1.00 0.00 C flip ATOM 237 NE2 HIS A 18 -12.920 0.113 13.937 1.00 0.00 N flip ATOM 0 H HIS A 18 -8.321 0.110 12.273 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.918 -1.741 14.243 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.906 -1.281 11.420 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.563 -2.581 12.395 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.945 1.143 13.531 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.841 -1.855 13.112 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -12.186 2.035 14.518 1.00 0.00 H new ATOM 245 N ILE A 19 -7.576 -3.773 13.781 1.00 0.00 N ATOM 246 CA ILE A 19 -6.914 -5.051 13.547 1.00 0.00 C ATOM 247 C ILE A 19 -7.921 -6.195 13.525 1.00 0.00 C ATOM 248 O ILE A 19 -8.808 -6.274 14.376 1.00 0.00 O ATOM 249 CB ILE A 19 -5.849 -5.339 14.622 1.00 0.00 C ATOM 250 CG1 ILE A 19 -5.018 -4.084 14.898 1.00 0.00 C ATOM 251 CG2 ILE A 19 -4.954 -6.488 14.185 1.00 0.00 C ATOM 252 CD1 ILE A 19 -4.189 -3.637 13.715 1.00 0.00 C ATOM 0 H ILE A 19 -7.614 -3.491 14.760 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.426 -4.981 12.575 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.353 -5.627 15.544 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.685 -3.273 15.191 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.357 -4.274 15.744 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.206 -6.680 14.955 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.558 -7.383 14.035 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.455 -6.226 13.252 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.626 -2.743 13.982 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.497 -4.431 13.435 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.846 -3.415 12.874 1.00 0.00 H new ATOM 264 N CYS A 20 -7.778 -7.083 12.547 1.00 0.00 N ATOM 265 CA CYS A 20 -8.674 -8.225 12.414 1.00 0.00 C ATOM 266 C CYS A 20 -8.659 -9.079 13.678 1.00 0.00 C ATOM 267 O CYS A 20 -7.598 -9.362 14.235 1.00 0.00 O ATOM 268 CB CYS A 20 -8.274 -9.076 11.206 1.00 0.00 C ATOM 269 SG CYS A 20 -9.083 -10.706 11.143 1.00 0.00 S ATOM 0 H CYS A 20 -7.050 -7.033 11.835 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.685 -7.846 12.265 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.513 -8.528 10.294 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.193 -9.219 11.218 1.00 0.00 H new ATOM 274 N SER A 21 -9.842 -9.487 14.125 1.00 0.00 N ATOM 275 CA SER A 21 -9.966 -10.305 15.325 1.00 0.00 C ATOM 276 C SER A 21 -9.535 -11.743 15.049 1.00 0.00 C ATOM 277 O SER A 21 -8.804 -12.347 15.836 1.00 0.00 O ATOM 278 CB SER A 21 -11.407 -10.282 15.837 1.00 0.00 C ATOM 279 OG SER A 21 -11.655 -9.122 16.611 1.00 0.00 O ATOM 0 H SER A 21 -10.729 -9.264 13.674 1.00 0.00 H new ATOM 0 HA SER A 21 -9.310 -9.887 16.089 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.096 -10.314 14.993 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.597 -11.171 16.438 1.00 0.00 H new ATOM 0 HG SER A 21 -12.583 -9.130 16.925 1.00 0.00 H new ATOM 285 N HIS A 22 -9.992 -12.286 13.926 1.00 0.00 N ATOM 286 CA HIS A 22 -9.655 -13.653 13.545 1.00 0.00 C ATOM 287 C HIS A 22 -8.143 -13.852 13.520 1.00 0.00 C ATOM 288 O HIS A 22 -7.404 -13.104 12.879 1.00 0.00 O ATOM 289 CB HIS A 22 -10.247 -13.983 12.174 1.00 0.00 C ATOM 290 CG HIS A 22 -10.242 -15.447 11.856 1.00 0.00 C ATOM 291 ND1 HIS A 22 -11.306 -16.281 12.126 1.00 0.00 N ATOM 292 CD2 HIS A 22 -9.291 -16.225 11.286 1.00 0.00 C ATOM 293 CE1 HIS A 22 -11.011 -17.508 11.737 1.00 0.00 C ATOM 294 NE2 HIS A 22 -9.795 -17.501 11.223 1.00 0.00 N ATOM 0 H HIS A 22 -10.597 -11.801 13.263 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.081 -14.327 14.288 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.272 -13.614 12.131 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.684 -13.451 11.407 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.318 -15.902 10.945 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.655 -18.371 11.824 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.309 -18.312 10.841 1.00 0.00 H new ATOM 302 N PRO A 23 -7.670 -14.885 14.234 1.00 0.00 N ATOM 303 CA PRO A 23 -6.242 -15.206 14.309 1.00 0.00 C ATOM 304 C PRO A 23 -5.697 -15.742 12.990 1.00 0.00 C ATOM 305 O PRO A 23 -6.446 -16.260 12.162 1.00 0.00 O ATOM 306 CB PRO A 23 -6.178 -16.286 15.392 1.00 0.00 C ATOM 307 CG PRO A 23 -7.529 -16.915 15.379 1.00 0.00 C ATOM 308 CD PRO A 23 -8.492 -15.819 15.020 1.00 0.00 C ATOM 0 HA PRO A 23 -5.638 -14.326 14.528 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.399 -17.017 15.177 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.951 -15.856 16.367 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.574 -17.727 14.654 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.770 -17.343 16.352 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.334 -16.198 14.441 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -8.905 -15.341 15.908 1.00 0.00 H new ATOM 316 N GLY A 24 -4.387 -15.613 12.799 1.00 0.00 N ATOM 317 CA GLY A 24 -3.765 -16.090 11.578 1.00 0.00 C ATOM 318 C GLY A 24 -3.975 -15.143 10.413 1.00 0.00 C ATOM 319 O GLY A 24 -3.049 -14.876 9.645 1.00 0.00 O ATOM 0 H GLY A 24 -3.746 -15.187 13.468 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.696 -16.223 11.746 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.172 -17.069 11.325 1.00 0.00 H new ATOM 323 N CYS A 25 -5.195 -14.634 10.279 1.00 0.00 N ATOM 324 CA CYS A 25 -5.525 -13.714 9.197 1.00 0.00 C ATOM 325 C CYS A 25 -4.531 -12.558 9.145 1.00 0.00 C ATOM 326 O CYS A 25 -4.073 -12.167 8.072 1.00 0.00 O ATOM 327 CB CYS A 25 -6.946 -13.172 9.376 1.00 0.00 C ATOM 328 SG CYS A 25 -7.465 -12.005 8.078 1.00 0.00 S ATOM 0 H CYS A 25 -5.972 -14.843 10.906 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.468 -14.262 8.257 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.643 -14.010 9.396 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.015 -12.676 10.344 1.00 0.00 H new ATOM 333 N GLY A 26 -4.202 -12.013 10.312 1.00 0.00 N ATOM 334 CA GLY A 26 -3.265 -10.908 10.378 1.00 0.00 C ATOM 335 C GLY A 26 -3.577 -9.822 9.368 1.00 0.00 C ATOM 336 O GLY A 26 -2.731 -9.461 8.549 1.00 0.00 O ATOM 0 H GLY A 26 -4.568 -12.318 11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.280 -10.482 11.381 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.255 -11.281 10.206 1.00 0.00 H new ATOM 340 N LYS A 27 -4.797 -9.299 9.422 1.00 0.00 N ATOM 341 CA LYS A 27 -5.222 -8.249 8.505 1.00 0.00 C ATOM 342 C LYS A 27 -5.659 -7.003 9.269 1.00 0.00 C ATOM 343 O LYS A 27 -6.007 -7.075 10.448 1.00 0.00 O ATOM 344 CB LYS A 27 -6.369 -8.747 7.621 1.00 0.00 C ATOM 345 CG LYS A 27 -5.902 -9.409 6.337 1.00 0.00 C ATOM 346 CD LYS A 27 -7.072 -9.955 5.535 1.00 0.00 C ATOM 347 CE LYS A 27 -6.666 -11.169 4.713 1.00 0.00 C ATOM 348 NZ LYS A 27 -7.608 -11.416 3.586 1.00 0.00 N ATOM 0 H LYS A 27 -5.510 -9.586 10.093 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.373 -7.988 7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.972 -9.457 8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.016 -7.906 7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.351 -8.687 5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.212 -10.219 6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.883 -10.227 6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.455 -9.178 4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.660 -11.022 4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.631 -12.048 5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.297 -12.251 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.563 -11.582 3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.622 -10.587 2.958 1.00 0.00 H new ATOM 362 N THR A 28 -5.641 -5.861 8.590 1.00 0.00 N ATOM 363 CA THR A 28 -6.035 -4.599 9.204 1.00 0.00 C ATOM 364 C THR A 28 -6.537 -3.610 8.158 1.00 0.00 C ATOM 365 O THR A 28 -6.118 -3.650 7.001 1.00 0.00 O ATOM 366 CB THR A 28 -4.867 -3.962 9.979 1.00 0.00 C ATOM 367 OG1 THR A 28 -4.185 -4.960 10.745 1.00 0.00 O ATOM 368 CG2 THR A 28 -5.366 -2.860 10.900 1.00 0.00 C ATOM 0 H THR A 28 -5.357 -5.784 7.613 1.00 0.00 H new ATOM 0 HA THR A 28 -6.842 -4.826 9.901 1.00 0.00 H new ATOM 0 HB THR A 28 -4.177 -3.525 9.258 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.443 -4.547 11.234 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.523 -2.425 11.437 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.858 -2.087 10.309 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.075 -3.277 11.615 1.00 0.00 H new ATOM 376 N TYR A 29 -7.435 -2.724 8.571 1.00 0.00 N ATOM 377 CA TYR A 29 -7.995 -1.725 7.668 1.00 0.00 C ATOM 378 C TYR A 29 -8.172 -0.387 8.378 1.00 0.00 C ATOM 379 O TYR A 29 -8.887 -0.290 9.376 1.00 0.00 O ATOM 380 CB TYR A 29 -9.338 -2.203 7.115 1.00 0.00 C ATOM 381 CG TYR A 29 -9.260 -3.533 6.399 1.00 0.00 C ATOM 382 CD1 TYR A 29 -9.320 -4.728 7.105 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.122 -3.595 5.018 1.00 0.00 C ATOM 384 CE1 TYR A 29 -9.248 -5.945 6.456 1.00 0.00 C ATOM 385 CE2 TYR A 29 -9.051 -4.807 4.361 1.00 0.00 C ATOM 386 CZ TYR A 29 -9.114 -5.980 5.084 1.00 0.00 C ATOM 387 OH TYR A 29 -9.041 -7.189 4.432 1.00 0.00 O ATOM 0 H TYR A 29 -7.791 -2.677 9.526 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.297 -1.588 6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.051 -2.283 7.935 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.726 -1.452 6.427 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.425 -4.705 8.180 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.069 -2.679 4.448 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.296 -6.865 7.020 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.947 -4.837 3.286 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.682 -7.815 4.830 1.00 0.00 H new ATOM 397 N PHE A 30 -7.516 0.644 7.856 1.00 0.00 N ATOM 398 CA PHE A 30 -7.600 1.979 8.440 1.00 0.00 C ATOM 399 C PHE A 30 -9.043 2.330 8.789 1.00 0.00 C ATOM 400 O PHE A 30 -9.337 2.754 9.907 1.00 0.00 O ATOM 401 CB PHE A 30 -7.029 3.018 7.473 1.00 0.00 C ATOM 402 CG PHE A 30 -7.512 4.415 7.740 1.00 0.00 C ATOM 403 CD1 PHE A 30 -7.372 4.981 8.998 1.00 0.00 C ATOM 404 CD2 PHE A 30 -8.104 5.162 6.736 1.00 0.00 C ATOM 405 CE1 PHE A 30 -7.816 6.265 9.247 1.00 0.00 C ATOM 406 CE2 PHE A 30 -8.550 6.447 6.980 1.00 0.00 C ATOM 407 CZ PHE A 30 -8.404 7.000 8.238 1.00 0.00 C ATOM 0 H PHE A 30 -6.921 0.582 7.030 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.012 1.985 9.358 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.941 3.000 7.534 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.295 2.739 6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.911 4.412 9.792 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.219 4.735 5.750 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.703 6.694 10.232 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.012 7.018 6.189 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.749 8.005 8.431 1.00 0.00 H new ATOM 417 N LYS A 31 -9.939 2.151 7.825 1.00 0.00 N ATOM 418 CA LYS A 31 -11.352 2.447 8.028 1.00 0.00 C ATOM 419 C LYS A 31 -11.912 1.649 9.201 1.00 0.00 C ATOM 420 O LYS A 31 -11.816 0.422 9.232 1.00 0.00 O ATOM 421 CB LYS A 31 -12.147 2.134 6.758 1.00 0.00 C ATOM 422 CG LYS A 31 -12.091 3.239 5.719 1.00 0.00 C ATOM 423 CD LYS A 31 -10.745 3.276 5.015 1.00 0.00 C ATOM 424 CE LYS A 31 -10.858 3.882 3.624 1.00 0.00 C ATOM 425 NZ LYS A 31 -10.751 5.367 3.656 1.00 0.00 N ATOM 0 H LYS A 31 -9.711 1.802 6.894 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.446 3.509 8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.765 1.213 6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.188 1.951 7.026 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.882 3.089 4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.278 4.200 6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.039 3.856 5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.344 2.265 4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.074 3.475 2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.811 3.596 3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.833 5.742 2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.514 5.757 4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.831 5.640 4.057 1.00 0.00 H new ATOM 439 N SER A 32 -12.499 2.353 10.164 1.00 0.00 N ATOM 440 CA SER A 32 -13.072 1.710 11.340 1.00 0.00 C ATOM 441 C SER A 32 -14.188 0.749 10.943 1.00 0.00 C ATOM 442 O SER A 32 -14.300 -0.349 11.489 1.00 0.00 O ATOM 443 CB SER A 32 -13.611 2.763 12.311 1.00 0.00 C ATOM 444 OG SER A 32 -14.496 2.182 13.252 1.00 0.00 O ATOM 0 H SER A 32 -12.590 3.369 10.152 1.00 0.00 H new ATOM 0 HA SER A 32 -12.284 1.141 11.833 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.781 3.239 12.833 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.128 3.545 11.755 1.00 0.00 H new ATOM 0 HG SER A 32 -14.294 1.228 13.345 1.00 0.00 H new ATOM 450 N SER A 33 -15.012 1.169 9.990 1.00 0.00 N ATOM 451 CA SER A 33 -16.123 0.349 9.521 1.00 0.00 C ATOM 452 C SER A 33 -15.614 -0.854 8.732 1.00 0.00 C ATOM 453 O SER A 33 -16.069 -1.980 8.932 1.00 0.00 O ATOM 454 CB SER A 33 -17.068 1.179 8.653 1.00 0.00 C ATOM 455 OG SER A 33 -18.255 0.462 8.359 1.00 0.00 O ATOM 0 H SER A 33 -14.932 2.074 9.526 1.00 0.00 H new ATOM 0 HA SER A 33 -16.668 -0.013 10.393 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.318 2.107 9.167 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.567 1.454 7.725 1.00 0.00 H new ATOM 0 HG SER A 33 -18.843 1.016 7.804 1.00 0.00 H new ATOM 461 N HIS A 34 -14.667 -0.606 7.833 1.00 0.00 N ATOM 462 CA HIS A 34 -14.095 -1.668 7.012 1.00 0.00 C ATOM 463 C HIS A 34 -14.057 -2.986 7.780 1.00 0.00 C ATOM 464 O HIS A 34 -14.676 -3.970 7.374 1.00 0.00 O ATOM 465 CB HIS A 34 -12.685 -1.287 6.559 1.00 0.00 C ATOM 466 CG HIS A 34 -12.642 -0.664 5.198 1.00 0.00 C ATOM 467 ND1 HIS A 34 -11.509 -0.648 4.412 1.00 0.00 N ATOM 468 CD2 HIS A 34 -13.602 -0.032 4.482 1.00 0.00 C ATOM 469 CE1 HIS A 34 -11.773 -0.032 3.274 1.00 0.00 C ATOM 470 NE2 HIS A 34 -13.037 0.350 3.291 1.00 0.00 N ATOM 0 H HIS A 34 -14.279 0.320 7.654 1.00 0.00 H new ATOM 0 HA HIS A 34 -14.728 -1.797 6.134 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.255 -0.593 7.281 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.058 -2.179 6.562 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -14.623 0.140 4.791 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.074 0.131 2.467 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.516 0.848 2.541 1.00 0.00 H new ATOM 478 N LEU A 35 -13.325 -2.999 8.887 1.00 0.00 N ATOM 479 CA LEU A 35 -13.205 -4.196 9.712 1.00 0.00 C ATOM 480 C LEU A 35 -14.540 -4.929 9.806 1.00 0.00 C ATOM 481 O LEU A 35 -14.657 -6.084 9.400 1.00 0.00 O ATOM 482 CB LEU A 35 -12.711 -3.830 11.112 1.00 0.00 C ATOM 483 CG LEU A 35 -12.600 -4.983 12.109 1.00 0.00 C ATOM 484 CD1 LEU A 35 -11.483 -5.933 11.705 1.00 0.00 C ATOM 485 CD2 LEU A 35 -12.368 -4.451 13.516 1.00 0.00 C ATOM 0 H LEU A 35 -12.805 -2.194 9.235 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.479 -4.859 9.241 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.731 -3.362 11.018 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.384 -3.080 11.528 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.539 -5.536 12.102 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.419 -6.747 12.427 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.692 -6.340 10.716 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.536 -5.393 11.683 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.291 -5.286 14.213 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.444 -3.873 13.539 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.202 -3.812 13.806 1.00 0.00 H new ATOM 497 N LYS A 36 -15.545 -4.247 10.344 1.00 0.00 N ATOM 498 CA LYS A 36 -16.874 -4.828 10.490 1.00 0.00 C ATOM 499 C LYS A 36 -17.290 -5.560 9.217 1.00 0.00 C ATOM 500 O LYS A 36 -17.853 -6.653 9.275 1.00 0.00 O ATOM 501 CB LYS A 36 -17.897 -3.740 10.822 1.00 0.00 C ATOM 502 CG LYS A 36 -19.185 -4.278 11.420 1.00 0.00 C ATOM 503 CD LYS A 36 -20.271 -3.216 11.452 1.00 0.00 C ATOM 504 CE LYS A 36 -20.003 -2.177 12.531 1.00 0.00 C ATOM 505 NZ LYS A 36 -19.076 -1.113 12.058 1.00 0.00 N ATOM 0 H LYS A 36 -15.464 -3.290 10.687 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.840 -5.547 11.308 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.449 -3.033 11.521 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -18.132 -3.185 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.528 -5.133 10.838 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.996 -4.637 12.432 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -20.331 -2.726 10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -21.237 -3.687 11.631 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -20.945 -1.726 12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -19.578 -2.665 13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -18.179 -1.177 12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -18.895 -1.237 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.506 -0.180 12.221 1.00 0.00 H new ATOM 519 N ALA A 37 -17.008 -4.951 8.071 1.00 0.00 N ATOM 520 CA ALA A 37 -17.349 -5.546 6.785 1.00 0.00 C ATOM 521 C ALA A 37 -16.471 -6.757 6.490 1.00 0.00 C ATOM 522 O ALA A 37 -16.943 -7.768 5.971 1.00 0.00 O ATOM 523 CB ALA A 37 -17.219 -4.514 5.674 1.00 0.00 C ATOM 0 H ALA A 37 -16.544 -4.045 8.007 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.384 -5.884 6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.477 -4.973 4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.894 -3.681 5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.193 -4.148 5.635 1.00 0.00 H new ATOM 529 N HIS A 38 -15.188 -6.647 6.823 1.00 0.00 N ATOM 530 CA HIS A 38 -14.243 -7.734 6.594 1.00 0.00 C ATOM 531 C HIS A 38 -14.581 -8.941 7.463 1.00 0.00 C ATOM 532 O HIS A 38 -14.828 -10.036 6.956 1.00 0.00 O ATOM 533 CB HIS A 38 -12.816 -7.266 6.882 1.00 0.00 C ATOM 534 CG HIS A 38 -11.843 -8.390 7.065 1.00 0.00 C ATOM 535 ND1 HIS A 38 -11.367 -9.152 6.019 1.00 0.00 N ATOM 536 CD2 HIS A 38 -11.254 -8.878 8.182 1.00 0.00 C ATOM 537 CE1 HIS A 38 -10.530 -10.061 6.484 1.00 0.00 C ATOM 538 NE2 HIS A 38 -10.444 -9.916 7.795 1.00 0.00 N ATOM 0 H HIS A 38 -14.780 -5.817 7.252 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.316 -8.031 5.548 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.477 -6.633 6.062 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.819 -6.649 7.781 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -11.622 -9.032 5.039 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -11.395 -8.517 9.190 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -10.005 -10.798 5.894 1.00 0.00 H new ATOM 546 N THR A 39 -14.591 -8.735 8.776 1.00 0.00 N ATOM 547 CA THR A 39 -14.896 -9.806 9.716 1.00 0.00 C ATOM 548 C THR A 39 -16.050 -10.666 9.213 1.00 0.00 C ATOM 549 O THR A 39 -16.074 -11.877 9.429 1.00 0.00 O ATOM 550 CB THR A 39 -15.255 -9.248 11.107 1.00 0.00 C ATOM 551 OG1 THR A 39 -14.230 -8.355 11.556 1.00 0.00 O ATOM 552 CG2 THR A 39 -15.431 -10.374 12.113 1.00 0.00 C ATOM 0 H THR A 39 -14.391 -7.835 9.213 1.00 0.00 H new ATOM 0 HA THR A 39 -13.998 -10.419 9.799 1.00 0.00 H new ATOM 0 HB THR A 39 -16.197 -8.706 11.025 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.466 -8.003 12.440 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.684 -9.955 13.087 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.232 -11.035 11.783 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.503 -10.940 12.191 1.00 0.00 H new ATOM 560 N ARG A 40 -17.005 -10.032 8.540 1.00 0.00 N ATOM 561 CA ARG A 40 -18.162 -10.740 8.007 1.00 0.00 C ATOM 562 C ARG A 40 -17.735 -11.781 6.975 1.00 0.00 C ATOM 563 O ARG A 40 -18.266 -12.891 6.941 1.00 0.00 O ATOM 564 CB ARG A 40 -19.144 -9.752 7.375 1.00 0.00 C ATOM 565 CG ARG A 40 -19.972 -8.982 8.390 1.00 0.00 C ATOM 566 CD ARG A 40 -21.271 -8.477 7.781 1.00 0.00 C ATOM 567 NE ARG A 40 -22.210 -9.564 7.516 1.00 0.00 N ATOM 568 CZ ARG A 40 -23.443 -9.375 7.058 1.00 0.00 C ATOM 569 NH1 ARG A 40 -23.883 -8.149 6.814 1.00 0.00 N ATOM 570 NH2 ARG A 40 -24.238 -10.415 6.841 1.00 0.00 N ATOM 0 H ARG A 40 -17.000 -9.030 8.351 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.655 -11.253 8.833 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -18.588 -9.044 6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.814 -10.295 6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -20.194 -9.624 9.242 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.394 -8.139 8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -21.732 -7.756 8.456 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -21.055 -7.950 6.852 1.00 0.00 H new ATOM 0 HE ARG A 40 -21.902 -10.520 7.692 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -23.275 -7.347 6.978 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -24.830 -8.008 6.462 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -23.903 -11.360 7.026 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -25.184 -10.269 6.489 1.00 0.00 H new ATOM 584 N THR A 41 -16.772 -11.414 6.136 1.00 0.00 N ATOM 585 CA THR A 41 -16.274 -12.313 5.102 1.00 0.00 C ATOM 586 C THR A 41 -15.839 -13.647 5.698 1.00 0.00 C ATOM 587 O THR A 41 -16.092 -14.706 5.124 1.00 0.00 O ATOM 588 CB THR A 41 -15.089 -11.692 4.341 1.00 0.00 C ATOM 589 OG1 THR A 41 -13.971 -11.532 5.221 1.00 0.00 O ATOM 590 CG2 THR A 41 -15.472 -10.344 3.748 1.00 0.00 C ATOM 0 H THR A 41 -16.321 -10.499 6.152 1.00 0.00 H new ATOM 0 HA THR A 41 -17.095 -12.480 4.405 1.00 0.00 H new ATOM 0 HB THR A 41 -14.817 -12.364 3.527 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.292 -11.331 6.125 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.618 -9.925 3.215 1.00 0.00 H new ATOM 0 HG22 THR A 41 -16.304 -10.474 3.056 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.769 -9.666 4.548 1.00 0.00 H new ATOM 598 N HIS A 42 -15.182 -13.587 6.853 1.00 0.00 N ATOM 599 CA HIS A 42 -14.713 -14.793 7.527 1.00 0.00 C ATOM 600 C HIS A 42 -15.818 -15.841 7.599 1.00 0.00 C ATOM 601 O HIS A 42 -15.602 -17.011 7.282 1.00 0.00 O ATOM 602 CB HIS A 42 -14.220 -14.456 8.935 1.00 0.00 C ATOM 603 CG HIS A 42 -12.809 -13.956 8.972 1.00 0.00 C ATOM 604 ND1 HIS A 42 -11.716 -14.794 9.054 1.00 0.00 N ATOM 605 CD2 HIS A 42 -12.313 -12.697 8.936 1.00 0.00 C ATOM 606 CE1 HIS A 42 -10.611 -14.071 9.069 1.00 0.00 C ATOM 607 NE2 HIS A 42 -10.945 -12.796 8.998 1.00 0.00 N ATOM 0 H HIS A 42 -14.963 -12.718 7.340 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.886 -15.204 6.949 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.876 -13.701 9.370 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.298 -15.345 9.561 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -11.755 -15.812 9.096 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.887 -11.784 8.871 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.604 -14.458 9.129 1.00 0.00 H new ATOM 615 N THR A 43 -17.005 -15.414 8.020 1.00 0.00 N ATOM 616 CA THR A 43 -18.144 -16.316 8.136 1.00 0.00 C ATOM 617 C THR A 43 -17.810 -17.513 9.018 1.00 0.00 C ATOM 618 O THR A 43 -18.230 -18.637 8.742 1.00 0.00 O ATOM 619 CB THR A 43 -18.604 -16.822 6.756 1.00 0.00 C ATOM 620 OG1 THR A 43 -17.664 -17.776 6.246 1.00 0.00 O ATOM 621 CG2 THR A 43 -18.744 -15.668 5.775 1.00 0.00 C ATOM 0 H THR A 43 -17.202 -14.449 8.286 1.00 0.00 H new ATOM 0 HA THR A 43 -18.953 -15.746 8.593 1.00 0.00 H new ATOM 0 HB THR A 43 -19.578 -17.298 6.874 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.848 -17.753 6.788 1.00 0.00 H new ATOM 0 HG21 THR A 43 -19.070 -16.050 4.808 1.00 0.00 H new ATOM 0 HG22 THR A 43 -19.480 -14.958 6.151 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.782 -15.168 5.662 1.00 0.00 H new ATOM 629 N GLY A 44 -17.051 -17.266 10.082 1.00 0.00 N ATOM 630 CA GLY A 44 -16.674 -18.334 10.989 1.00 0.00 C ATOM 631 C GLY A 44 -17.812 -18.751 11.900 1.00 0.00 C ATOM 632 O GLY A 44 -18.725 -19.460 11.477 1.00 0.00 O ATOM 0 H GLY A 44 -16.691 -16.345 10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.341 -19.196 10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.828 -18.010 11.595 1.00 0.00 H new ATOM 636 N GLU A 45 -17.756 -18.310 13.152 1.00 0.00 N ATOM 637 CA GLU A 45 -18.790 -18.644 14.126 1.00 0.00 C ATOM 638 C GLU A 45 -19.498 -17.386 14.621 1.00 0.00 C ATOM 639 O GLU A 45 -19.028 -16.269 14.404 1.00 0.00 O ATOM 640 CB GLU A 45 -18.182 -19.400 15.309 1.00 0.00 C ATOM 641 CG GLU A 45 -17.588 -20.746 14.930 1.00 0.00 C ATOM 642 CD GLU A 45 -16.633 -21.278 15.981 1.00 0.00 C ATOM 643 OE1 GLU A 45 -15.857 -20.475 16.538 1.00 0.00 O ATOM 644 OE2 GLU A 45 -16.662 -22.499 16.245 1.00 0.00 O ATOM 0 H GLU A 45 -17.007 -17.721 13.516 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.524 -19.283 13.634 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.405 -18.784 15.762 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.951 -19.552 16.066 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.393 -21.465 14.779 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.062 -20.652 13.980 1.00 0.00 H new ATOM 651 N LYS A 46 -20.632 -17.576 15.285 1.00 0.00 N ATOM 652 CA LYS A 46 -21.407 -16.459 15.814 1.00 0.00 C ATOM 653 C LYS A 46 -21.886 -15.549 14.687 1.00 0.00 C ATOM 654 O LYS A 46 -21.771 -14.325 14.753 1.00 0.00 O ATOM 655 CB LYS A 46 -20.568 -15.655 16.810 1.00 0.00 C ATOM 656 CG LYS A 46 -20.322 -16.381 18.122 1.00 0.00 C ATOM 657 CD LYS A 46 -19.146 -17.336 18.019 1.00 0.00 C ATOM 658 CE LYS A 46 -19.190 -18.394 19.112 1.00 0.00 C ATOM 659 NZ LYS A 46 -20.068 -19.538 18.741 1.00 0.00 N ATOM 0 H LYS A 46 -21.036 -18.494 15.470 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.279 -16.865 16.327 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -19.609 -15.413 16.353 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -21.070 -14.710 17.016 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -20.133 -15.654 18.911 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -21.217 -16.934 18.406 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -19.153 -17.820 17.042 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -18.214 -16.776 18.090 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.181 -18.758 19.306 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.550 -17.945 20.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.845 -19.616 19.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.460 -19.381 17.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -19.513 -20.417 18.745 1.00 0.00 H new ATOM 673 N PRO A 47 -22.440 -16.158 13.627 1.00 0.00 N ATOM 674 CA PRO A 47 -22.949 -15.422 12.468 1.00 0.00 C ATOM 675 C PRO A 47 -24.211 -14.629 12.793 1.00 0.00 C ATOM 676 O PRO A 47 -24.800 -13.995 11.918 1.00 0.00 O ATOM 677 CB PRO A 47 -23.259 -16.527 11.453 1.00 0.00 C ATOM 678 CG PRO A 47 -23.506 -17.740 12.280 1.00 0.00 C ATOM 679 CD PRO A 47 -22.609 -17.614 13.481 1.00 0.00 C ATOM 0 HA PRO A 47 -22.233 -14.683 12.109 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -24.130 -16.276 10.848 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -22.427 -16.679 10.766 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -24.552 -17.801 12.579 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -23.281 -18.647 11.719 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -23.060 -18.057 14.368 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -21.654 -18.116 13.324 1.00 0.00 H new ATOM 687 N PHE A 48 -24.619 -14.669 14.057 1.00 0.00 N ATOM 688 CA PHE A 48 -25.812 -13.954 14.498 1.00 0.00 C ATOM 689 C PHE A 48 -25.514 -13.109 15.733 1.00 0.00 C ATOM 690 O PHE A 48 -24.615 -13.426 16.513 1.00 0.00 O ATOM 691 CB PHE A 48 -26.940 -14.941 14.802 1.00 0.00 C ATOM 692 CG PHE A 48 -27.645 -15.442 13.573 1.00 0.00 C ATOM 693 CD1 PHE A 48 -27.177 -16.555 12.895 1.00 0.00 C ATOM 694 CD2 PHE A 48 -28.777 -14.799 13.097 1.00 0.00 C ATOM 695 CE1 PHE A 48 -27.823 -17.018 11.764 1.00 0.00 C ATOM 696 CE2 PHE A 48 -29.427 -15.257 11.967 1.00 0.00 C ATOM 697 CZ PHE A 48 -28.950 -16.369 11.300 1.00 0.00 C ATOM 0 H PHE A 48 -24.142 -15.188 14.794 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.126 -13.290 13.692 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -26.531 -15.791 15.349 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -27.666 -14.460 15.457 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.297 -17.067 13.254 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.155 -13.930 13.615 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.447 -17.886 11.244 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -30.307 -14.746 11.605 1.00 0.00 H new ATOM 0 HZ PHE A 48 -29.458 -16.730 10.418 1.00 0.00 H new ATOM 707 N SER A 49 -26.272 -12.032 15.903 1.00 0.00 N ATOM 708 CA SER A 49 -26.088 -11.138 17.041 1.00 0.00 C ATOM 709 C SER A 49 -27.347 -10.314 17.294 1.00 0.00 C ATOM 710 O SER A 49 -28.178 -10.138 16.403 1.00 0.00 O ATOM 711 CB SER A 49 -24.897 -10.209 16.798 1.00 0.00 C ATOM 712 OG SER A 49 -25.042 -9.502 15.579 1.00 0.00 O ATOM 0 H SER A 49 -27.020 -11.756 15.267 1.00 0.00 H new ATOM 0 HA SER A 49 -25.891 -11.748 17.923 1.00 0.00 H new ATOM 0 HB2 SER A 49 -24.809 -9.503 17.623 1.00 0.00 H new ATOM 0 HB3 SER A 49 -23.976 -10.791 16.777 1.00 0.00 H new ATOM 0 HG SER A 49 -24.269 -8.914 15.448 1.00 0.00 H new ATOM 718 N CYS A 50 -27.481 -9.811 18.516 1.00 0.00 N ATOM 719 CA CYS A 50 -28.638 -9.006 18.890 1.00 0.00 C ATOM 720 C CYS A 50 -28.245 -7.543 19.076 1.00 0.00 C ATOM 721 O CYS A 50 -27.470 -7.207 19.973 1.00 0.00 O ATOM 722 CB CYS A 50 -29.265 -9.545 20.177 1.00 0.00 C ATOM 723 SG CYS A 50 -30.818 -8.717 20.649 1.00 0.00 S ATOM 0 H CYS A 50 -26.802 -9.947 19.265 1.00 0.00 H new ATOM 0 HA CYS A 50 -29.369 -9.068 18.084 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -29.456 -10.611 20.057 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -28.547 -9.439 20.990 1.00 0.00 H new ATOM 728 N SER A 51 -28.784 -6.678 18.224 1.00 0.00 N ATOM 729 CA SER A 51 -28.488 -5.252 18.292 1.00 0.00 C ATOM 730 C SER A 51 -29.408 -4.552 19.288 1.00 0.00 C ATOM 731 O SER A 51 -30.609 -4.424 19.053 1.00 0.00 O ATOM 732 CB SER A 51 -28.634 -4.612 16.909 1.00 0.00 C ATOM 733 OG SER A 51 -27.904 -3.400 16.828 1.00 0.00 O ATOM 0 H SER A 51 -29.428 -6.940 17.478 1.00 0.00 H new ATOM 0 HA SER A 51 -27.459 -5.136 18.632 1.00 0.00 H new ATOM 0 HB2 SER A 51 -28.281 -5.305 16.145 1.00 0.00 H new ATOM 0 HB3 SER A 51 -29.687 -4.420 16.703 1.00 0.00 H new ATOM 0 HG SER A 51 -28.012 -3.012 15.935 1.00 0.00 H new ATOM 739 N TRP A 52 -28.834 -4.103 20.397 1.00 0.00 N ATOM 740 CA TRP A 52 -29.603 -3.416 21.430 1.00 0.00 C ATOM 741 C TRP A 52 -28.679 -2.765 22.453 1.00 0.00 C ATOM 742 O TRP A 52 -27.457 -2.888 22.368 1.00 0.00 O ATOM 743 CB TRP A 52 -30.548 -4.395 22.128 1.00 0.00 C ATOM 744 CG TRP A 52 -31.805 -3.752 22.630 1.00 0.00 C ATOM 745 CD1 TRP A 52 -32.067 -3.356 23.911 1.00 0.00 C ATOM 746 CD2 TRP A 52 -32.970 -3.433 21.863 1.00 0.00 C ATOM 747 NE1 TRP A 52 -33.325 -2.809 23.985 1.00 0.00 N ATOM 748 CE2 TRP A 52 -33.900 -2.844 22.742 1.00 0.00 C ATOM 749 CE3 TRP A 52 -33.318 -3.585 20.518 1.00 0.00 C ATOM 750 CZ2 TRP A 52 -35.153 -2.409 22.320 1.00 0.00 C ATOM 751 CZ3 TRP A 52 -34.562 -3.154 20.100 1.00 0.00 C ATOM 752 CH2 TRP A 52 -35.468 -2.571 20.997 1.00 0.00 C ATOM 0 H TRP A 52 -27.840 -4.201 20.605 1.00 0.00 H new ATOM 0 HA TRP A 52 -30.192 -2.634 20.950 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -30.809 -5.194 21.434 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -30.026 -4.858 22.965 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -31.386 -3.458 24.743 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -33.761 -2.437 24.829 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -32.627 -4.031 19.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -35.851 -1.960 23.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -34.842 -3.268 19.063 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -36.432 -2.243 20.638 1.00 0.00 H new ATOM 763 N LYS A 53 -29.270 -2.073 23.420 1.00 0.00 N ATOM 764 CA LYS A 53 -28.499 -1.402 24.463 1.00 0.00 C ATOM 765 C LYS A 53 -28.467 -2.239 25.738 1.00 0.00 C ATOM 766 O LYS A 53 -29.498 -2.466 26.370 1.00 0.00 O ATOM 767 CB LYS A 53 -29.095 -0.025 24.759 1.00 0.00 C ATOM 768 CG LYS A 53 -28.295 0.780 25.769 1.00 0.00 C ATOM 769 CD LYS A 53 -27.099 1.458 25.122 1.00 0.00 C ATOM 770 CE LYS A 53 -26.184 2.085 26.160 1.00 0.00 C ATOM 771 NZ LYS A 53 -25.284 1.077 26.787 1.00 0.00 N ATOM 0 H LYS A 53 -30.280 -1.961 23.505 1.00 0.00 H new ATOM 0 HA LYS A 53 -27.477 -1.279 24.104 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -29.163 0.540 23.829 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -30.112 -0.151 25.131 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -28.937 1.533 26.226 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -27.953 0.124 26.569 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -26.540 0.729 24.536 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -27.445 2.226 24.430 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -25.585 2.866 25.692 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -26.786 2.565 26.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -24.676 1.544 27.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -25.855 0.345 27.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -24.692 0.637 26.054 1.00 0.00 H new ATOM 785 N GLY A 54 -27.275 -2.695 26.111 1.00 0.00 N ATOM 786 CA GLY A 54 -27.131 -3.500 27.310 1.00 0.00 C ATOM 787 C GLY A 54 -27.105 -4.986 27.011 1.00 0.00 C ATOM 788 O GLY A 54 -26.306 -5.728 27.584 1.00 0.00 O ATOM 0 H GLY A 54 -26.407 -2.521 25.604 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -26.211 -3.220 27.824 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -27.955 -3.284 27.990 1.00 0.00 H new ATOM 792 N CYS A 55 -27.982 -5.422 26.113 1.00 0.00 N ATOM 793 CA CYS A 55 -28.058 -6.829 25.740 1.00 0.00 C ATOM 794 C CYS A 55 -26.726 -7.316 25.176 1.00 0.00 C ATOM 795 O CYS A 55 -26.096 -8.214 25.733 1.00 0.00 O ATOM 796 CB CYS A 55 -29.170 -7.046 24.712 1.00 0.00 C ATOM 797 SG CYS A 55 -29.097 -8.658 23.867 1.00 0.00 S ATOM 0 H CYS A 55 -28.650 -4.821 25.630 1.00 0.00 H new ATOM 0 HA CYS A 55 -28.284 -7.405 26.637 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -30.135 -6.953 25.211 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -29.119 -6.254 23.965 1.00 0.00 H new ATOM 802 N GLU A 56 -26.305 -6.716 24.066 1.00 0.00 N ATOM 803 CA GLU A 56 -25.049 -7.089 23.427 1.00 0.00 C ATOM 804 C GLU A 56 -24.811 -8.593 23.531 1.00 0.00 C ATOM 805 O GLU A 56 -23.690 -9.039 23.776 1.00 0.00 O ATOM 806 CB GLU A 56 -23.882 -6.331 24.064 1.00 0.00 C ATOM 807 CG GLU A 56 -23.967 -6.246 25.579 1.00 0.00 C ATOM 808 CD GLU A 56 -23.499 -7.516 26.262 1.00 0.00 C ATOM 809 OE1 GLU A 56 -22.594 -8.182 25.719 1.00 0.00 O ATOM 810 OE2 GLU A 56 -24.038 -7.843 27.340 1.00 0.00 O ATOM 0 H GLU A 56 -26.815 -5.971 23.592 1.00 0.00 H new ATOM 0 HA GLU A 56 -25.114 -6.821 22.372 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -22.948 -6.820 23.788 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -23.847 -5.322 23.653 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -23.363 -5.408 25.926 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -24.997 -6.040 25.870 1.00 0.00 H new ATOM 817 N ARG A 57 -25.873 -9.368 23.343 1.00 0.00 N ATOM 818 CA ARG A 57 -25.782 -10.822 23.418 1.00 0.00 C ATOM 819 C ARG A 57 -25.852 -11.443 22.026 1.00 0.00 C ATOM 820 O ARG A 57 -26.827 -11.253 21.300 1.00 0.00 O ATOM 821 CB ARG A 57 -26.904 -11.380 24.295 1.00 0.00 C ATOM 822 CG ARG A 57 -26.642 -11.234 25.785 1.00 0.00 C ATOM 823 CD ARG A 57 -25.980 -12.477 26.359 1.00 0.00 C ATOM 824 NE ARG A 57 -25.917 -12.439 27.818 1.00 0.00 N ATOM 825 CZ ARG A 57 -24.992 -13.073 28.530 1.00 0.00 C ATOM 826 NH1 ARG A 57 -24.058 -13.790 27.922 1.00 0.00 N ATOM 827 NH2 ARG A 57 -25.000 -12.990 29.854 1.00 0.00 N ATOM 0 H ARG A 57 -26.807 -9.014 23.137 1.00 0.00 H new ATOM 0 HA ARG A 57 -24.821 -11.079 23.864 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -27.835 -10.871 24.047 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -27.046 -12.435 24.061 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -26.005 -10.367 25.960 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -27.582 -11.048 26.304 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -26.533 -13.361 26.043 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -24.972 -12.570 25.955 1.00 0.00 H new ATOM 0 HE ARG A 57 -26.622 -11.896 28.317 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -24.048 -13.856 26.904 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -23.349 -14.276 28.472 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -25.717 -12.439 30.326 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -24.289 -13.477 30.400 1.00 0.00 H new ATOM 841 N ARG A 58 -24.811 -12.184 21.661 1.00 0.00 N ATOM 842 CA ARG A 58 -24.754 -12.832 20.356 1.00 0.00 C ATOM 843 C ARG A 58 -24.971 -14.336 20.485 1.00 0.00 C ATOM 844 O ARG A 58 -24.965 -14.883 21.589 1.00 0.00 O ATOM 845 CB ARG A 58 -23.407 -12.556 19.685 1.00 0.00 C ATOM 846 CG ARG A 58 -23.108 -11.076 19.505 1.00 0.00 C ATOM 847 CD ARG A 58 -21.826 -10.859 18.717 1.00 0.00 C ATOM 848 NE ARG A 58 -21.864 -11.520 17.416 1.00 0.00 N ATOM 849 CZ ARG A 58 -21.649 -10.891 16.266 1.00 0.00 C ATOM 850 NH1 ARG A 58 -21.381 -9.592 16.256 1.00 0.00 N ATOM 851 NH2 ARG A 58 -21.701 -11.561 15.122 1.00 0.00 N ATOM 0 H ARG A 58 -23.996 -12.351 22.251 1.00 0.00 H new ATOM 0 HA ARG A 58 -25.552 -12.419 19.738 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -22.614 -13.008 20.281 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -23.390 -13.043 18.710 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -23.939 -10.596 18.989 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -23.021 -10.600 20.482 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -21.664 -9.790 18.576 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -20.980 -11.237 19.291 1.00 0.00 H new ATOM 0 HE ARG A 58 -22.067 -12.519 17.389 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -21.339 -9.073 17.133 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -21.216 -9.112 15.371 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -21.906 -12.560 15.125 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -21.536 -11.077 14.240 1.00 0.00 H new ATOM 865 N PHE A 59 -25.163 -15.002 19.351 1.00 0.00 N ATOM 866 CA PHE A 59 -25.383 -16.443 19.338 1.00 0.00 C ATOM 867 C PHE A 59 -24.867 -17.059 18.041 1.00 0.00 C ATOM 868 O PHE A 59 -24.606 -16.355 17.066 1.00 0.00 O ATOM 869 CB PHE A 59 -26.872 -16.754 19.507 1.00 0.00 C ATOM 870 CG PHE A 59 -27.520 -15.992 20.627 1.00 0.00 C ATOM 871 CD1 PHE A 59 -27.389 -16.418 21.939 1.00 0.00 C ATOM 872 CD2 PHE A 59 -28.260 -14.850 20.367 1.00 0.00 C ATOM 873 CE1 PHE A 59 -27.985 -15.719 22.972 1.00 0.00 C ATOM 874 CE2 PHE A 59 -28.857 -14.147 21.397 1.00 0.00 C ATOM 875 CZ PHE A 59 -28.720 -14.582 22.701 1.00 0.00 C ATOM 0 H PHE A 59 -25.171 -14.566 18.429 1.00 0.00 H new ATOM 0 HA PHE A 59 -24.831 -16.878 20.171 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -27.391 -16.526 18.576 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -26.994 -17.822 19.687 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -26.815 -17.306 22.157 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -28.372 -14.505 19.350 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -27.876 -16.062 23.990 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -29.431 -13.258 21.182 1.00 0.00 H new ATOM 0 HZ PHE A 59 -29.187 -14.034 23.506 1.00 0.00 H new ATOM 885 N ALA A 60 -24.722 -18.380 18.038 1.00 0.00 N ATOM 886 CA ALA A 60 -24.238 -19.094 16.862 1.00 0.00 C ATOM 887 C ALA A 60 -25.396 -19.538 15.975 1.00 0.00 C ATOM 888 O ALA A 60 -25.376 -19.331 14.762 1.00 0.00 O ATOM 889 CB ALA A 60 -23.399 -20.292 17.279 1.00 0.00 C ATOM 0 H ALA A 60 -24.933 -18.978 18.837 1.00 0.00 H new ATOM 0 HA ALA A 60 -23.614 -18.412 16.285 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -23.045 -20.815 16.391 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -22.545 -19.952 17.865 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -24.005 -20.969 17.881 1.00 0.00 H new ATOM 895 N ARG A 61 -26.405 -20.149 16.588 1.00 0.00 N ATOM 896 CA ARG A 61 -27.570 -20.625 15.854 1.00 0.00 C ATOM 897 C ARG A 61 -28.702 -19.602 15.909 1.00 0.00 C ATOM 898 O ARG A 61 -28.978 -19.023 16.959 1.00 0.00 O ATOM 899 CB ARG A 61 -28.049 -21.962 16.424 1.00 0.00 C ATOM 900 CG ARG A 61 -27.032 -23.082 16.283 1.00 0.00 C ATOM 901 CD ARG A 61 -27.035 -23.665 14.878 1.00 0.00 C ATOM 902 NE ARG A 61 -26.432 -24.994 14.836 1.00 0.00 N ATOM 903 CZ ARG A 61 -25.142 -25.208 14.606 1.00 0.00 C ATOM 904 NH1 ARG A 61 -24.322 -24.186 14.401 1.00 0.00 N ATOM 905 NH2 ARG A 61 -24.667 -26.447 14.582 1.00 0.00 N ATOM 0 H ARG A 61 -26.438 -20.326 17.592 1.00 0.00 H new ATOM 0 HA ARG A 61 -27.279 -20.765 14.813 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -28.290 -21.832 17.479 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -28.970 -22.253 15.920 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -26.037 -22.703 16.519 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -27.253 -23.868 17.005 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -28.060 -23.720 14.511 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -26.491 -22.999 14.208 1.00 0.00 H new ATOM 0 HE ARG A 61 -27.035 -25.802 14.992 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -24.682 -23.232 14.420 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -23.332 -24.354 14.225 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -25.293 -27.236 14.740 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.676 -26.610 14.405 1.00 0.00 H new ATOM 919 N SER A 62 -29.351 -19.385 14.770 1.00 0.00 N ATOM 920 CA SER A 62 -30.450 -18.430 14.686 1.00 0.00 C ATOM 921 C SER A 62 -31.544 -18.770 15.694 1.00 0.00 C ATOM 922 O SER A 62 -31.994 -17.912 16.453 1.00 0.00 O ATOM 923 CB SER A 62 -31.032 -18.411 13.271 1.00 0.00 C ATOM 924 OG SER A 62 -31.806 -17.244 13.055 1.00 0.00 O ATOM 0 H SER A 62 -29.135 -19.858 13.892 1.00 0.00 H new ATOM 0 HA SER A 62 -30.057 -17.441 14.922 1.00 0.00 H new ATOM 0 HB2 SER A 62 -30.224 -18.456 12.541 1.00 0.00 H new ATOM 0 HB3 SER A 62 -31.650 -19.295 13.116 1.00 0.00 H new ATOM 0 HG SER A 62 -31.232 -16.531 12.704 1.00 0.00 H new ATOM 930 N ASP A 63 -31.967 -20.030 15.694 1.00 0.00 N ATOM 931 CA ASP A 63 -33.008 -20.487 16.608 1.00 0.00 C ATOM 932 C ASP A 63 -32.853 -19.834 17.977 1.00 0.00 C ATOM 933 O ASP A 63 -33.798 -19.248 18.506 1.00 0.00 O ATOM 934 CB ASP A 63 -32.962 -22.009 16.746 1.00 0.00 C ATOM 935 CG ASP A 63 -33.798 -22.712 15.695 1.00 0.00 C ATOM 936 OD1 ASP A 63 -34.703 -22.065 15.127 1.00 0.00 O ATOM 937 OD2 ASP A 63 -33.548 -23.909 15.440 1.00 0.00 O ATOM 0 H ASP A 63 -31.605 -20.753 15.072 1.00 0.00 H new ATOM 0 HA ASP A 63 -33.974 -20.197 16.195 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -31.928 -22.347 16.669 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -33.317 -22.292 17.737 1.00 0.00 H new ATOM 942 N GLU A 64 -31.656 -19.939 18.546 1.00 0.00 N ATOM 943 CA GLU A 64 -31.380 -19.360 19.856 1.00 0.00 C ATOM 944 C GLU A 64 -31.752 -17.880 19.886 1.00 0.00 C ATOM 945 O GLU A 64 -32.527 -17.440 20.736 1.00 0.00 O ATOM 946 CB GLU A 64 -29.902 -19.533 20.212 1.00 0.00 C ATOM 947 CG GLU A 64 -29.558 -20.922 20.722 1.00 0.00 C ATOM 948 CD GLU A 64 -28.099 -21.277 20.509 1.00 0.00 C ATOM 949 OE1 GLU A 64 -27.244 -20.741 21.246 1.00 0.00 O ATOM 950 OE2 GLU A 64 -27.812 -22.091 19.608 1.00 0.00 O ATOM 0 H GLU A 64 -30.863 -20.419 18.121 1.00 0.00 H new ATOM 0 HA GLU A 64 -31.988 -19.884 20.593 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -29.297 -19.318 19.331 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -29.631 -18.799 20.971 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -29.791 -20.983 21.785 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -30.184 -21.656 20.216 1.00 0.00 H new ATOM 957 N LEU A 65 -31.192 -17.117 18.953 1.00 0.00 N ATOM 958 CA LEU A 65 -31.464 -15.686 18.871 1.00 0.00 C ATOM 959 C LEU A 65 -32.959 -15.423 18.727 1.00 0.00 C ATOM 960 O LEU A 65 -33.553 -14.704 19.532 1.00 0.00 O ATOM 961 CB LEU A 65 -30.711 -15.071 17.691 1.00 0.00 C ATOM 962 CG LEU A 65 -31.066 -13.623 17.349 1.00 0.00 C ATOM 963 CD1 LEU A 65 -30.672 -12.693 18.487 1.00 0.00 C ATOM 964 CD2 LEU A 65 -30.389 -13.199 16.053 1.00 0.00 C ATOM 0 H LEU A 65 -30.547 -17.465 18.243 1.00 0.00 H new ATOM 0 HA LEU A 65 -31.120 -15.222 19.796 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -29.643 -15.122 17.901 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -30.892 -15.686 16.810 1.00 0.00 H new ATOM 0 HG LEU A 65 -32.145 -13.557 17.210 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -30.932 -11.667 18.225 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -31.203 -12.982 19.394 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -29.598 -12.762 18.658 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -30.653 -12.166 15.826 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -29.308 -13.281 16.164 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -30.721 -13.846 15.241 1.00 0.00 H new ATOM 976 N SER A 66 -33.563 -16.011 17.700 1.00 0.00 N ATOM 977 CA SER A 66 -34.989 -15.839 17.450 1.00 0.00 C ATOM 978 C SER A 66 -35.775 -15.851 18.758 1.00 0.00 C ATOM 979 O SER A 66 -36.559 -14.941 19.032 1.00 0.00 O ATOM 980 CB SER A 66 -35.503 -16.942 16.524 1.00 0.00 C ATOM 981 OG SER A 66 -36.671 -16.528 15.836 1.00 0.00 O ATOM 0 H SER A 66 -33.087 -16.611 17.027 1.00 0.00 H new ATOM 0 HA SER A 66 -35.134 -14.872 16.967 1.00 0.00 H new ATOM 0 HB2 SER A 66 -34.728 -17.207 15.805 1.00 0.00 H new ATOM 0 HB3 SER A 66 -35.718 -17.838 17.106 1.00 0.00 H new ATOM 0 HG SER A 66 -36.978 -17.250 15.249 1.00 0.00 H new ATOM 987 N ARG A 67 -35.559 -16.887 19.561 1.00 0.00 N ATOM 988 CA ARG A 67 -36.247 -17.019 20.840 1.00 0.00 C ATOM 989 C ARG A 67 -35.833 -15.906 21.798 1.00 0.00 C ATOM 990 O ARG A 67 -36.666 -15.121 22.252 1.00 0.00 O ATOM 991 CB ARG A 67 -35.948 -18.382 21.465 1.00 0.00 C ATOM 992 CG ARG A 67 -36.867 -18.736 22.623 1.00 0.00 C ATOM 993 CD ARG A 67 -36.347 -18.179 23.938 1.00 0.00 C ATOM 994 NE ARG A 67 -35.236 -18.965 24.466 1.00 0.00 N ATOM 995 CZ ARG A 67 -34.583 -18.660 25.582 1.00 0.00 C ATOM 996 NH1 ARG A 67 -34.930 -17.591 26.284 1.00 0.00 N ATOM 997 NH2 ARG A 67 -33.582 -19.425 25.996 1.00 0.00 N ATOM 0 H ARG A 67 -34.913 -17.647 19.349 1.00 0.00 H new ATOM 0 HA ARG A 67 -37.319 -16.937 20.658 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -36.033 -19.151 20.697 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -34.916 -18.393 21.815 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -37.865 -18.343 22.430 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -36.960 -19.820 22.697 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -36.024 -17.148 23.792 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -37.156 -18.159 24.668 1.00 0.00 H new ATOM 0 HE ARG A 67 -34.945 -19.795 23.949 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -35.700 -17.001 25.968 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -34.428 -17.358 27.141 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -33.313 -20.248 25.457 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -33.081 -19.190 26.853 1.00 0.00 H new ATOM 1011 N HIS A 68 -34.540 -15.843 22.101 1.00 0.00 N ATOM 1012 CA HIS A 68 -34.016 -14.826 23.005 1.00 0.00 C ATOM 1013 C HIS A 68 -34.664 -13.471 22.734 1.00 0.00 C ATOM 1014 O HIS A 68 -35.148 -12.810 23.652 1.00 0.00 O ATOM 1015 CB HIS A 68 -32.497 -14.716 22.857 1.00 0.00 C ATOM 1016 CG HIS A 68 -31.958 -13.362 23.202 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -31.246 -13.108 24.355 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -32.030 -12.185 22.538 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -30.903 -11.832 24.386 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -31.366 -11.250 23.295 1.00 0.00 N ATOM 0 H HIS A 68 -33.837 -16.484 21.734 1.00 0.00 H new ATOM 0 HA HIS A 68 -34.254 -15.125 24.026 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -32.023 -15.460 23.497 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -32.222 -14.957 21.830 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -31.019 -13.797 25.072 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -32.518 -12.013 21.590 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -30.340 -11.348 25.170 1.00 0.00 H new ATOM 1028 N ARG A 69 -34.669 -13.066 21.468 1.00 0.00 N ATOM 1029 CA ARG A 69 -35.256 -11.790 21.077 1.00 0.00 C ATOM 1030 C ARG A 69 -36.499 -11.486 21.909 1.00 0.00 C ATOM 1031 O ARG A 69 -36.695 -10.358 22.361 1.00 0.00 O ATOM 1032 CB ARG A 69 -35.615 -11.804 19.591 1.00 0.00 C ATOM 1033 CG ARG A 69 -34.473 -11.373 18.685 1.00 0.00 C ATOM 1034 CD ARG A 69 -34.218 -9.877 18.782 1.00 0.00 C ATOM 1035 NE ARG A 69 -33.121 -9.451 17.918 1.00 0.00 N ATOM 1036 CZ ARG A 69 -32.618 -8.221 17.921 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -33.111 -7.302 18.739 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -31.619 -7.910 17.105 1.00 0.00 N ATOM 0 H ARG A 69 -34.273 -13.603 20.696 1.00 0.00 H new ATOM 0 HA ARG A 69 -34.518 -11.008 21.258 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -35.930 -12.809 19.311 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -36.467 -11.145 19.425 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -33.567 -11.916 18.956 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -34.706 -11.637 17.654 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -35.125 -9.337 18.510 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -33.989 -9.615 19.815 1.00 0.00 H new ATOM 0 HE ARG A 69 -32.719 -10.135 17.277 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -33.878 -7.538 19.368 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -32.723 -6.359 18.739 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -31.237 -8.615 16.475 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -31.233 -6.966 17.108 1.00 0.00 H new ATOM 1052 N ARG A 70 -37.336 -12.500 22.105 1.00 0.00 N ATOM 1053 CA ARG A 70 -38.560 -12.341 22.880 1.00 0.00 C ATOM 1054 C ARG A 70 -38.350 -11.365 24.034 1.00 0.00 C ATOM 1055 O ARG A 70 -39.159 -10.461 24.253 1.00 0.00 O ATOM 1056 CB ARG A 70 -39.027 -13.694 23.420 1.00 0.00 C ATOM 1057 CG ARG A 70 -38.090 -14.291 24.457 1.00 0.00 C ATOM 1058 CD ARG A 70 -38.293 -15.793 24.591 1.00 0.00 C ATOM 1059 NE ARG A 70 -39.402 -16.118 25.482 1.00 0.00 N ATOM 1060 CZ ARG A 70 -40.039 -17.283 25.468 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -39.677 -18.230 24.612 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -41.040 -17.504 26.310 1.00 0.00 N ATOM 0 H ARG A 70 -37.188 -13.440 21.738 1.00 0.00 H new ATOM 0 HA ARG A 70 -39.328 -11.937 22.220 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -40.017 -13.578 23.861 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -39.128 -14.392 22.589 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -37.057 -14.086 24.177 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -38.260 -13.812 25.421 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -38.481 -16.223 23.607 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -37.378 -16.250 24.969 1.00 0.00 H new ATOM 0 HE ARG A 70 -39.705 -15.411 26.152 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -38.908 -18.064 23.963 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -40.168 -19.124 24.603 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -41.321 -16.778 26.969 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -41.528 -18.399 26.298 1.00 0.00 H new ATOM 1076 N THR A 71 -37.260 -11.554 24.771 1.00 0.00 N ATOM 1077 CA THR A 71 -36.945 -10.692 25.904 1.00 0.00 C ATOM 1078 C THR A 71 -37.265 -9.235 25.592 1.00 0.00 C ATOM 1079 O THR A 71 -37.890 -8.541 26.395 1.00 0.00 O ATOM 1080 CB THR A 71 -35.461 -10.807 26.299 1.00 0.00 C ATOM 1081 OG1 THR A 71 -34.629 -10.452 25.190 1.00 0.00 O ATOM 1082 CG2 THR A 71 -35.130 -12.219 26.758 1.00 0.00 C ATOM 0 H THR A 71 -36.581 -12.296 24.604 1.00 0.00 H new ATOM 0 HA THR A 71 -37.563 -11.026 26.738 1.00 0.00 H new ATOM 0 HB THR A 71 -35.274 -10.121 27.125 1.00 0.00 H new ATOM 0 HG1 THR A 71 -34.664 -11.161 24.515 1.00 0.00 H new ATOM 0 HG21 THR A 71 -34.076 -12.275 27.032 1.00 0.00 H new ATOM 0 HG22 THR A 71 -35.743 -12.474 27.622 1.00 0.00 H new ATOM 0 HG23 THR A 71 -35.333 -12.921 25.949 1.00 0.00 H new ATOM 1090 N HIS A 72 -36.834 -8.776 24.422 1.00 0.00 N ATOM 1091 CA HIS A 72 -37.078 -7.400 24.004 1.00 0.00 C ATOM 1092 C HIS A 72 -38.456 -7.262 23.365 1.00 0.00 C ATOM 1093 O HIS A 72 -38.778 -7.961 22.404 1.00 0.00 O ATOM 1094 CB HIS A 72 -35.999 -6.946 23.020 1.00 0.00 C ATOM 1095 CG HIS A 72 -34.611 -7.325 23.437 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -34.016 -6.857 24.590 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -33.699 -8.133 22.846 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -32.799 -7.361 24.691 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -32.582 -8.139 23.646 1.00 0.00 N ATOM 0 H HIS A 72 -36.314 -9.336 23.746 1.00 0.00 H new ATOM 0 HA HIS A 72 -37.043 -6.765 24.890 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -36.206 -7.378 22.041 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -36.053 -5.863 22.908 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -34.448 -6.221 25.260 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -33.826 -8.672 21.919 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -32.100 -7.169 25.492 1.00 0.00 H new TER 1107 HIS A 72 HETATM 1108 ZN ZN A 300 -9.525 -11.315 8.978 1.00 0.00 ZN HETATM 1109 ZN ZN A 400 -31.039 -9.261 22.922 1.00 0.00 ZN