USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 564 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.00432 (180deg=-0.266) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 148:sc= 0.208 USER MOD Single : A 9 LYS NZ :NH3+ -150:sc= -0.157 (180deg=-0.956) USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.106) USER MOD Single : A 15 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=-0.0018) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -2.49! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -130:sc= -0.743 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -39:sc= 1.12 USER MOD Single : A 65 THR OG1 : rot 128:sc= 0.273 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0258) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.584 -3.101 -6.364 1.00 0.00 N ATOM 2 CA MET A 1 0.993 -2.642 -5.112 1.00 0.00 C ATOM 3 C MET A 1 1.726 -3.239 -3.915 1.00 0.00 C ATOM 4 O MET A 1 2.278 -4.336 -3.997 1.00 0.00 O ATOM 5 CB MET A 1 -0.489 -3.015 -5.055 1.00 0.00 C ATOM 6 CG MET A 1 -1.327 -2.341 -6.130 1.00 0.00 C ATOM 7 SD MET A 1 -3.059 -2.837 -6.074 1.00 0.00 S ATOM 8 CE MET A 1 -3.262 -3.545 -7.707 1.00 0.00 C ATOM 0 H1 MET A 1 1.819 -2.281 -6.958 1.00 0.00 H new ATOM 0 H2 MET A 1 2.450 -3.641 -6.162 1.00 0.00 H new ATOM 0 H3 MET A 1 0.906 -3.709 -6.866 1.00 0.00 H new ATOM 0 HA MET A 1 1.088 -1.557 -5.071 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.587 -4.096 -5.154 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.885 -2.747 -4.076 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.259 -1.259 -6.013 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.916 -2.582 -7.110 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.286 -3.898 -7.826 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.050 -2.787 -8.461 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.573 -4.381 -7.829 1.00 0.00 H new ATOM 18 N SER A 2 1.726 -2.510 -2.803 1.00 0.00 N ATOM 19 CA SER A 2 2.395 -2.967 -1.590 1.00 0.00 C ATOM 20 C SER A 2 1.564 -4.031 -0.879 1.00 0.00 C ATOM 21 O SER A 2 0.486 -3.746 -0.357 1.00 0.00 O ATOM 22 CB SER A 2 2.649 -1.788 -0.648 1.00 0.00 C ATOM 23 OG SER A 2 3.194 -0.684 -1.349 1.00 0.00 O ATOM 0 H SER A 2 1.271 -1.601 -2.717 1.00 0.00 H new ATOM 0 HA SER A 2 3.350 -3.408 -1.875 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.715 -1.494 -0.169 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.332 -2.093 0.145 1.00 0.00 H new ATOM 0 HG SER A 2 3.346 0.057 -0.726 1.00 0.00 H new ATOM 29 N ASP A 3 2.073 -5.257 -0.863 1.00 0.00 N ATOM 30 CA ASP A 3 1.379 -6.365 -0.216 1.00 0.00 C ATOM 31 C ASP A 3 1.844 -6.528 1.228 1.00 0.00 C ATOM 32 O ASP A 3 1.037 -6.761 2.129 1.00 0.00 O ATOM 33 CB ASP A 3 1.614 -7.663 -0.990 1.00 0.00 C ATOM 34 CG ASP A 3 3.050 -8.141 -0.898 1.00 0.00 C ATOM 35 OD1 ASP A 3 3.933 -7.479 -1.482 1.00 0.00 O ATOM 36 OD2 ASP A 3 3.290 -9.177 -0.242 1.00 0.00 O ATOM 0 H ASP A 3 2.964 -5.510 -1.291 1.00 0.00 H new ATOM 0 HA ASP A 3 0.312 -6.141 -0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.951 -8.438 -0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.351 -7.511 -2.037 1.00 0.00 H new ATOM 41 N THR A 4 3.150 -6.403 1.441 1.00 0.00 N ATOM 42 CA THR A 4 3.723 -6.539 2.775 1.00 0.00 C ATOM 43 C THR A 4 3.419 -5.314 3.631 1.00 0.00 C ATOM 44 O THR A 4 3.065 -5.437 4.803 1.00 0.00 O ATOM 45 CB THR A 4 5.248 -6.742 2.713 1.00 0.00 C ATOM 46 OG1 THR A 4 5.572 -7.721 1.720 1.00 0.00 O ATOM 47 CG2 THR A 4 5.790 -7.184 4.064 1.00 0.00 C ATOM 0 H THR A 4 3.831 -6.208 0.707 1.00 0.00 H new ATOM 0 HA THR A 4 3.265 -7.418 3.228 1.00 0.00 H new ATOM 0 HB THR A 4 5.709 -5.790 2.448 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.436 -7.501 1.314 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.869 -7.321 3.996 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.567 -6.423 4.812 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.322 -8.125 4.353 1.00 0.00 H new ATOM 55 N ALA A 5 3.559 -4.134 3.037 1.00 0.00 N ATOM 56 CA ALA A 5 3.296 -2.887 3.745 1.00 0.00 C ATOM 57 C ALA A 5 1.897 -2.883 4.350 1.00 0.00 C ATOM 58 O ALA A 5 1.728 -2.635 5.543 1.00 0.00 O ATOM 59 CB ALA A 5 3.472 -1.701 2.807 1.00 0.00 C ATOM 0 H ALA A 5 3.853 -4.015 2.068 1.00 0.00 H new ATOM 0 HA ALA A 5 4.015 -2.802 4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.273 -0.776 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.494 -1.686 2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.776 -1.790 1.973 1.00 0.00 H new ATOM 65 N GLU A 6 0.897 -3.159 3.518 1.00 0.00 N ATOM 66 CA GLU A 6 -0.489 -3.186 3.973 1.00 0.00 C ATOM 67 C GLU A 6 -0.656 -4.140 5.152 1.00 0.00 C ATOM 68 O GLU A 6 -1.319 -3.815 6.137 1.00 0.00 O ATOM 69 CB GLU A 6 -1.416 -3.603 2.829 1.00 0.00 C ATOM 70 CG GLU A 6 -1.713 -2.482 1.847 1.00 0.00 C ATOM 71 CD GLU A 6 -3.057 -2.647 1.164 1.00 0.00 C ATOM 72 OE1 GLU A 6 -3.175 -3.537 0.295 1.00 0.00 O ATOM 73 OE2 GLU A 6 -3.989 -1.886 1.496 1.00 0.00 O ATOM 0 H GLU A 6 1.020 -3.367 2.527 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.757 -2.182 4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.963 -4.436 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.355 -3.967 3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.692 -1.528 2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.928 -2.447 1.092 1.00 0.00 H new ATOM 80 N ARG A 7 -0.051 -5.318 5.042 1.00 0.00 N ATOM 81 CA ARG A 7 -0.134 -6.320 6.098 1.00 0.00 C ATOM 82 C ARG A 7 0.419 -5.775 7.411 1.00 0.00 C ATOM 83 O ARG A 7 -0.271 -5.764 8.431 1.00 0.00 O ATOM 84 CB ARG A 7 0.632 -7.582 5.694 1.00 0.00 C ATOM 85 CG ARG A 7 0.055 -8.859 6.282 1.00 0.00 C ATOM 86 CD ARG A 7 0.268 -10.045 5.355 1.00 0.00 C ATOM 87 NE ARG A 7 0.338 -11.307 6.088 1.00 0.00 N ATOM 88 CZ ARG A 7 0.263 -12.499 5.507 1.00 0.00 C ATOM 89 NH1 ARG A 7 0.116 -12.591 4.192 1.00 0.00 N ATOM 90 NH2 ARG A 7 0.334 -13.602 6.241 1.00 0.00 N ATOM 0 H ARG A 7 0.502 -5.602 4.233 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.185 -6.571 6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.636 -7.662 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.670 -7.483 6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.522 -9.061 7.246 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.011 -8.727 6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.546 -10.091 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.189 -9.902 4.790 1.00 0.00 H new ATOM 0 HE ARG A 7 0.451 -11.271 7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.060 -11.745 3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.059 -13.508 3.748 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.446 -13.535 7.253 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.276 -14.517 5.794 1.00 0.00 H new ATOM 104 N VAL A 8 1.669 -5.323 7.378 1.00 0.00 N ATOM 105 CA VAL A 8 2.315 -4.775 8.565 1.00 0.00 C ATOM 106 C VAL A 8 1.451 -3.699 9.213 1.00 0.00 C ATOM 107 O VAL A 8 1.105 -3.791 10.391 1.00 0.00 O ATOM 108 CB VAL A 8 3.694 -4.177 8.228 1.00 0.00 C ATOM 109 CG1 VAL A 8 4.337 -3.584 9.472 1.00 0.00 C ATOM 110 CG2 VAL A 8 4.594 -5.234 7.604 1.00 0.00 C ATOM 0 H VAL A 8 2.254 -5.326 6.543 1.00 0.00 H new ATOM 0 HA VAL A 8 2.447 -5.601 9.264 1.00 0.00 H new ATOM 0 HB VAL A 8 3.556 -3.375 7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.310 -3.166 9.215 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.698 -2.796 9.871 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.464 -4.364 10.223 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.564 -4.795 7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.727 -6.058 8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.136 -5.607 6.688 1.00 0.00 H new ATOM 120 N LYS A 9 1.106 -2.678 8.437 1.00 0.00 N ATOM 121 CA LYS A 9 0.281 -1.583 8.933 1.00 0.00 C ATOM 122 C LYS A 9 -0.988 -2.114 9.592 1.00 0.00 C ATOM 123 O LYS A 9 -1.379 -1.659 10.667 1.00 0.00 O ATOM 124 CB LYS A 9 -0.084 -0.633 7.790 1.00 0.00 C ATOM 125 CG LYS A 9 1.122 -0.073 7.056 1.00 0.00 C ATOM 126 CD LYS A 9 0.798 0.233 5.604 1.00 0.00 C ATOM 127 CE LYS A 9 -0.079 1.468 5.476 1.00 0.00 C ATOM 128 NZ LYS A 9 -1.522 1.144 5.649 1.00 0.00 N ATOM 0 H LYS A 9 1.385 -2.586 7.460 1.00 0.00 H new ATOM 0 HA LYS A 9 0.857 -1.037 9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.719 -1.161 7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.672 0.194 8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.462 0.835 7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.943 -0.789 7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.723 0.384 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.292 -0.622 5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.220 2.204 6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.076 1.924 4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.096 1.807 5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.701 0.172 5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.778 1.226 6.654 1.00 0.00 H new ATOM 142 N LYS A 10 -1.628 -3.079 8.941 1.00 0.00 N ATOM 143 CA LYS A 10 -2.852 -3.675 9.464 1.00 0.00 C ATOM 144 C LYS A 10 -2.627 -4.241 10.863 1.00 0.00 C ATOM 145 O LYS A 10 -3.341 -3.895 11.804 1.00 0.00 O ATOM 146 CB LYS A 10 -3.346 -4.781 8.529 1.00 0.00 C ATOM 147 CG LYS A 10 -4.673 -5.387 8.951 1.00 0.00 C ATOM 148 CD LYS A 10 -5.845 -4.525 8.510 1.00 0.00 C ATOM 149 CE LYS A 10 -6.343 -4.925 7.130 1.00 0.00 C ATOM 150 NZ LYS A 10 -7.090 -6.213 7.162 1.00 0.00 N ATOM 0 H LYS A 10 -1.319 -3.466 8.049 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.609 -2.893 9.524 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.445 -4.376 7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.594 -5.569 8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.772 -6.384 8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.693 -5.503 10.035 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.657 -4.616 9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.544 -3.477 8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.989 -4.140 6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.496 -5.013 6.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.624 -6.327 6.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.419 -7.001 7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.749 -6.212 7.966 1.00 0.00 H new ATOM 164 N ILE A 11 -1.630 -5.110 10.991 1.00 0.00 N ATOM 165 CA ILE A 11 -1.310 -5.721 12.276 1.00 0.00 C ATOM 166 C ILE A 11 -0.938 -4.663 13.309 1.00 0.00 C ATOM 167 O ILE A 11 -1.172 -4.840 14.505 1.00 0.00 O ATOM 168 CB ILE A 11 -0.152 -6.728 12.147 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.509 -7.823 11.141 1.00 0.00 C ATOM 170 CG2 ILE A 11 0.175 -7.334 13.504 1.00 0.00 C ATOM 171 CD1 ILE A 11 0.587 -8.847 10.948 1.00 0.00 C ATOM 0 H ILE A 11 -1.030 -5.407 10.221 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.204 -6.249 12.607 1.00 0.00 H new ATOM 0 HB ILE A 11 0.730 -6.201 11.783 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.414 -8.330 11.474 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.737 -7.362 10.180 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.995 -8.044 13.397 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.467 -6.543 14.195 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.703 -7.850 13.893 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.264 -9.593 10.221 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.488 -8.352 10.585 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.800 -9.335 11.899 1.00 0.00 H new ATOM 183 N VAL A 12 -0.358 -3.563 12.840 1.00 0.00 N ATOM 184 CA VAL A 12 0.044 -2.475 13.723 1.00 0.00 C ATOM 185 C VAL A 12 -1.163 -1.669 14.188 1.00 0.00 C ATOM 186 O VAL A 12 -1.197 -1.174 15.315 1.00 0.00 O ATOM 187 CB VAL A 12 1.043 -1.530 13.030 1.00 0.00 C ATOM 188 CG1 VAL A 12 1.424 -0.383 13.954 1.00 0.00 C ATOM 189 CG2 VAL A 12 2.278 -2.296 12.581 1.00 0.00 C ATOM 0 H VAL A 12 -0.156 -3.402 11.853 1.00 0.00 H new ATOM 0 HA VAL A 12 0.526 -2.931 14.587 1.00 0.00 H new ATOM 0 HB VAL A 12 0.563 -1.109 12.146 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.131 0.274 13.446 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.531 0.182 14.220 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.884 -0.782 14.858 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.973 -1.612 12.093 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.761 -2.748 13.448 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.986 -3.078 11.880 1.00 0.00 H new ATOM 199 N VAL A 13 -2.155 -1.541 13.312 1.00 0.00 N ATOM 200 CA VAL A 13 -3.367 -0.796 13.632 1.00 0.00 C ATOM 201 C VAL A 13 -4.272 -1.593 14.564 1.00 0.00 C ATOM 202 O VAL A 13 -4.939 -1.028 15.430 1.00 0.00 O ATOM 203 CB VAL A 13 -4.153 -0.430 12.359 1.00 0.00 C ATOM 204 CG1 VAL A 13 -5.428 0.320 12.716 1.00 0.00 C ATOM 205 CG2 VAL A 13 -3.288 0.392 11.416 1.00 0.00 C ATOM 0 H VAL A 13 -2.143 -1.944 12.375 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.053 0.120 14.132 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.432 -1.351 11.848 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.970 0.570 11.804 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.054 -0.308 13.350 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.174 1.236 13.250 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.860 0.641 10.522 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.976 1.310 11.915 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.407 -0.185 11.134 1.00 0.00 H new ATOM 215 N GLU A 14 -4.288 -2.910 14.381 1.00 0.00 N ATOM 216 CA GLU A 14 -5.112 -3.785 15.206 1.00 0.00 C ATOM 217 C GLU A 14 -4.429 -4.078 16.539 1.00 0.00 C ATOM 218 O GLU A 14 -5.089 -4.368 17.537 1.00 0.00 O ATOM 219 CB GLU A 14 -5.401 -5.094 14.470 1.00 0.00 C ATOM 220 CG GLU A 14 -6.685 -5.774 14.916 1.00 0.00 C ATOM 221 CD GLU A 14 -6.828 -7.176 14.357 1.00 0.00 C ATOM 222 OE1 GLU A 14 -5.985 -7.570 13.524 1.00 0.00 O ATOM 223 OE2 GLU A 14 -7.782 -7.878 14.752 1.00 0.00 O ATOM 0 H GLU A 14 -3.740 -3.394 13.669 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.054 -3.273 15.405 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.459 -4.894 13.400 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.566 -5.778 14.622 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.709 -5.817 16.005 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.538 -5.173 14.601 1.00 0.00 H new ATOM 230 N HIS A 15 -3.102 -4.001 16.546 1.00 0.00 N ATOM 231 CA HIS A 15 -2.328 -4.258 17.756 1.00 0.00 C ATOM 232 C HIS A 15 -2.148 -2.979 18.567 1.00 0.00 C ATOM 233 O HIS A 15 -2.475 -2.933 19.754 1.00 0.00 O ATOM 234 CB HIS A 15 -0.962 -4.845 17.397 1.00 0.00 C ATOM 235 CG HIS A 15 -0.211 -5.377 18.578 1.00 0.00 C ATOM 236 ND1 HIS A 15 1.164 -5.337 18.676 1.00 0.00 N ATOM 237 CD2 HIS A 15 -0.650 -5.963 19.717 1.00 0.00 C ATOM 238 CE1 HIS A 15 1.538 -5.877 19.822 1.00 0.00 C ATOM 239 NE2 HIS A 15 0.456 -6.264 20.473 1.00 0.00 N ATOM 0 H HIS A 15 -2.540 -3.763 15.728 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.877 -4.978 18.363 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.099 -5.648 16.672 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.361 -4.076 16.911 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.679 -6.157 19.982 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.556 -5.984 20.168 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.444 -6.713 21.389 1.00 0.00 H new ATOM 247 N LEU A 16 -1.625 -1.943 17.921 1.00 0.00 N ATOM 248 CA LEU A 16 -1.400 -0.662 18.583 1.00 0.00 C ATOM 249 C LEU A 16 -2.716 0.081 18.793 1.00 0.00 C ATOM 250 O LEU A 16 -2.895 0.777 19.791 1.00 0.00 O ATOM 251 CB LEU A 16 -0.441 0.199 17.759 1.00 0.00 C ATOM 252 CG LEU A 16 0.476 1.130 18.553 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.342 2.157 19.321 1.00 0.00 C ATOM 254 CD2 LEU A 16 1.356 0.330 19.502 1.00 0.00 C ATOM 0 H LEU A 16 -1.349 -1.964 16.939 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.955 -0.858 19.559 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.181 -0.462 17.155 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.029 0.803 17.068 1.00 0.00 H new ATOM 0 HG LEU A 16 1.120 1.659 17.851 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.327 2.811 19.880 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.929 2.752 18.621 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.011 1.646 20.013 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.002 1.009 20.059 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.728 -0.226 20.198 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.969 -0.366 18.930 1.00 0.00 H new ATOM 266 N GLY A 17 -3.635 -0.074 17.845 1.00 0.00 N ATOM 267 CA GLY A 17 -4.923 0.586 17.946 1.00 0.00 C ATOM 268 C GLY A 17 -4.873 2.029 17.484 1.00 0.00 C ATOM 269 O GLY A 17 -5.680 2.854 17.913 1.00 0.00 O ATOM 0 H GLY A 17 -3.510 -0.645 17.009 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.655 0.042 17.349 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.266 0.550 18.980 1.00 0.00 H new ATOM 273 N VAL A 18 -3.921 2.336 16.608 1.00 0.00 N ATOM 274 CA VAL A 18 -3.768 3.689 16.089 1.00 0.00 C ATOM 275 C VAL A 18 -4.234 3.778 14.640 1.00 0.00 C ATOM 276 O VAL A 18 -4.658 2.783 14.052 1.00 0.00 O ATOM 277 CB VAL A 18 -2.305 4.162 16.176 1.00 0.00 C ATOM 278 CG1 VAL A 18 -1.914 4.427 17.622 1.00 0.00 C ATOM 279 CG2 VAL A 18 -1.376 3.136 15.544 1.00 0.00 C ATOM 0 H VAL A 18 -3.244 1.665 16.243 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.389 4.337 16.708 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.210 5.096 15.622 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.877 4.760 17.663 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.560 5.200 18.038 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.024 3.511 18.202 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.346 3.486 15.614 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.473 2.186 16.069 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.643 3.001 14.496 1.00 0.00 H new ATOM 289 N ASP A 19 -4.150 4.975 14.069 1.00 0.00 N ATOM 290 CA ASP A 19 -4.561 5.194 12.688 1.00 0.00 C ATOM 291 C ASP A 19 -3.524 4.638 11.717 1.00 0.00 C ATOM 292 O ASP A 19 -2.324 4.671 11.990 1.00 0.00 O ATOM 293 CB ASP A 19 -4.775 6.685 12.427 1.00 0.00 C ATOM 294 CG ASP A 19 -5.816 6.943 11.355 1.00 0.00 C ATOM 295 OD1 ASP A 19 -7.009 6.674 11.609 1.00 0.00 O ATOM 296 OD2 ASP A 19 -5.438 7.413 10.262 1.00 0.00 O ATOM 0 H ASP A 19 -3.801 5.808 14.542 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.501 4.667 12.527 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.083 7.172 13.352 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.830 7.138 12.127 1.00 0.00 H new ATOM 301 N ALA A 20 -3.994 4.128 10.584 1.00 0.00 N ATOM 302 CA ALA A 20 -3.107 3.566 9.573 1.00 0.00 C ATOM 303 C ALA A 20 -2.409 4.667 8.782 1.00 0.00 C ATOM 304 O ALA A 20 -1.244 4.533 8.407 1.00 0.00 O ATOM 305 CB ALA A 20 -3.884 2.653 8.637 1.00 0.00 C ATOM 0 H ALA A 20 -4.984 4.092 10.343 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.342 2.980 10.082 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.209 2.241 7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.331 1.840 9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.670 3.223 8.142 1.00 0.00 H new ATOM 311 N ASP A 21 -3.128 5.755 8.531 1.00 0.00 N ATOM 312 CA ASP A 21 -2.578 6.880 7.784 1.00 0.00 C ATOM 313 C ASP A 21 -1.271 7.360 8.409 1.00 0.00 C ATOM 314 O ASP A 21 -0.328 7.720 7.703 1.00 0.00 O ATOM 315 CB ASP A 21 -3.586 8.030 7.736 1.00 0.00 C ATOM 316 CG ASP A 21 -4.809 7.693 6.906 1.00 0.00 C ATOM 317 OD1 ASP A 21 -4.719 6.777 6.061 1.00 0.00 O ATOM 318 OD2 ASP A 21 -5.856 8.343 7.103 1.00 0.00 O ATOM 0 H ASP A 21 -4.094 5.882 8.834 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.373 6.544 6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.897 8.280 8.751 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.103 8.916 7.323 1.00 0.00 H new ATOM 323 N LYS A 22 -1.222 7.362 9.737 1.00 0.00 N ATOM 324 CA LYS A 22 -0.031 7.796 10.457 1.00 0.00 C ATOM 325 C LYS A 22 1.119 6.816 10.250 1.00 0.00 C ATOM 326 O LYS A 22 2.289 7.187 10.344 1.00 0.00 O ATOM 327 CB LYS A 22 -0.335 7.933 11.951 1.00 0.00 C ATOM 328 CG LYS A 22 -1.453 8.915 12.257 1.00 0.00 C ATOM 329 CD LYS A 22 -1.560 9.191 13.747 1.00 0.00 C ATOM 330 CE LYS A 22 -0.373 9.997 14.252 1.00 0.00 C ATOM 331 NZ LYS A 22 -0.534 10.388 15.680 1.00 0.00 N ATOM 0 H LYS A 22 -1.993 7.068 10.336 1.00 0.00 H new ATOM 0 HA LYS A 22 0.267 8.767 10.062 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.603 6.955 12.350 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.569 8.252 12.469 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.274 9.849 11.725 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.399 8.516 11.891 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.483 9.733 13.952 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.618 8.247 14.290 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.539 9.411 14.137 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.256 10.892 13.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.296 10.936 15.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.390 10.968 15.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.620 9.533 16.266 1.00 0.00 H new ATOM 345 N VAL A 23 0.778 5.563 9.965 1.00 0.00 N ATOM 346 CA VAL A 23 1.782 4.530 9.741 1.00 0.00 C ATOM 347 C VAL A 23 2.510 4.748 8.419 1.00 0.00 C ATOM 348 O VAL A 23 2.125 4.197 7.387 1.00 0.00 O ATOM 349 CB VAL A 23 1.152 3.125 9.742 1.00 0.00 C ATOM 350 CG1 VAL A 23 2.232 2.054 9.700 1.00 0.00 C ATOM 351 CG2 VAL A 23 0.257 2.943 10.958 1.00 0.00 C ATOM 0 H VAL A 23 -0.186 5.239 9.884 1.00 0.00 H new ATOM 0 HA VAL A 23 2.496 4.600 10.561 1.00 0.00 H new ATOM 0 HB VAL A 23 0.537 3.022 8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.767 1.068 9.701 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.828 2.173 8.795 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.876 2.152 10.574 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.180 1.944 10.942 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.847 3.067 11.866 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.539 3.687 10.939 1.00 0.00 H new ATOM 361 N THR A 24 3.565 5.555 8.456 1.00 0.00 N ATOM 362 CA THR A 24 4.347 5.847 7.262 1.00 0.00 C ATOM 363 C THR A 24 5.755 5.272 7.372 1.00 0.00 C ATOM 364 O THR A 24 6.201 4.905 8.458 1.00 0.00 O ATOM 365 CB THR A 24 4.442 7.364 7.009 1.00 0.00 C ATOM 366 OG1 THR A 24 5.305 7.969 7.980 1.00 0.00 O ATOM 367 CG2 THR A 24 3.067 8.011 7.073 1.00 0.00 C ATOM 0 H THR A 24 3.898 6.019 9.301 1.00 0.00 H new ATOM 0 HA THR A 24 3.831 5.378 6.424 1.00 0.00 H new ATOM 0 HB THR A 24 4.852 7.519 6.011 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.362 8.933 7.812 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.160 9.082 6.891 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.421 7.569 6.314 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.633 7.847 8.059 1.00 0.00 H new ATOM 375 N GLU A 25 6.449 5.198 6.240 1.00 0.00 N ATOM 376 CA GLU A 25 7.806 4.667 6.211 1.00 0.00 C ATOM 377 C GLU A 25 8.694 5.388 7.221 1.00 0.00 C ATOM 378 O GLU A 25 9.607 4.796 7.796 1.00 0.00 O ATOM 379 CB GLU A 25 8.400 4.801 4.807 1.00 0.00 C ATOM 380 CG GLU A 25 7.741 3.896 3.779 1.00 0.00 C ATOM 381 CD GLU A 25 6.483 4.504 3.189 1.00 0.00 C ATOM 382 OE1 GLU A 25 6.601 5.317 2.248 1.00 0.00 O ATOM 383 OE2 GLU A 25 5.380 4.166 3.669 1.00 0.00 O ATOM 0 H GLU A 25 6.094 5.499 5.332 1.00 0.00 H new ATOM 0 HA GLU A 25 7.761 3.612 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.307 5.837 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.465 4.574 4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.449 3.686 2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.495 2.942 4.245 1.00 0.00 H new ATOM 390 N GLY A 26 8.420 6.672 7.431 1.00 0.00 N ATOM 391 CA GLY A 26 9.202 7.454 8.371 1.00 0.00 C ATOM 392 C GLY A 26 8.550 7.541 9.737 1.00 0.00 C ATOM 393 O GLY A 26 8.686 8.546 10.434 1.00 0.00 O ATOM 0 H GLY A 26 7.670 7.185 6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.192 7.010 8.472 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.342 8.459 7.974 1.00 0.00 H new ATOM 397 N ALA A 27 7.839 6.485 10.119 1.00 0.00 N ATOM 398 CA ALA A 27 7.164 6.446 11.411 1.00 0.00 C ATOM 399 C ALA A 27 7.909 5.549 12.393 1.00 0.00 C ATOM 400 O ALA A 27 7.925 4.328 12.244 1.00 0.00 O ATOM 401 CB ALA A 27 5.729 5.970 11.242 1.00 0.00 C ATOM 0 H ALA A 27 7.715 5.646 9.553 1.00 0.00 H new ATOM 0 HA ALA A 27 7.154 7.457 11.819 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.237 5.946 12.214 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.194 6.653 10.582 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.726 4.970 10.809 1.00 0.00 H new ATOM 407 N SER A 28 8.527 6.164 13.397 1.00 0.00 N ATOM 408 CA SER A 28 9.279 5.420 14.401 1.00 0.00 C ATOM 409 C SER A 28 8.387 5.047 15.581 1.00 0.00 C ATOM 410 O SER A 28 7.883 5.916 16.293 1.00 0.00 O ATOM 411 CB SER A 28 10.471 6.245 14.890 1.00 0.00 C ATOM 412 OG SER A 28 11.376 6.510 13.832 1.00 0.00 O ATOM 0 H SER A 28 8.522 7.174 13.537 1.00 0.00 H new ATOM 0 HA SER A 28 9.645 4.503 13.940 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.117 7.185 15.314 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.986 5.709 15.687 1.00 0.00 H new ATOM 0 HG SER A 28 12.128 7.040 14.170 1.00 0.00 H new ATOM 418 N PHE A 29 8.195 3.748 15.782 1.00 0.00 N ATOM 419 CA PHE A 29 7.363 3.257 16.875 1.00 0.00 C ATOM 420 C PHE A 29 7.946 3.660 18.226 1.00 0.00 C ATOM 421 O PHE A 29 7.280 3.558 19.256 1.00 0.00 O ATOM 422 CB PHE A 29 7.228 1.735 16.798 1.00 0.00 C ATOM 423 CG PHE A 29 6.906 1.230 15.420 1.00 0.00 C ATOM 424 CD1 PHE A 29 5.605 1.254 14.946 1.00 0.00 C ATOM 425 CD2 PHE A 29 7.905 0.733 14.599 1.00 0.00 C ATOM 426 CE1 PHE A 29 5.305 0.790 13.679 1.00 0.00 C ATOM 427 CE2 PHE A 29 7.612 0.267 13.331 1.00 0.00 C ATOM 428 CZ PHE A 29 6.311 0.297 12.870 1.00 0.00 C ATOM 0 H PHE A 29 8.604 3.015 15.202 1.00 0.00 H new ATOM 0 HA PHE A 29 6.375 3.707 16.777 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.158 1.278 17.135 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.447 1.412 17.486 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.815 1.640 15.574 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.925 0.709 14.954 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.286 0.813 13.322 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.400 -0.120 12.702 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.080 -0.064 11.879 1.00 0.00 H new ATOM 438 N ILE A 30 9.194 4.117 18.212 1.00 0.00 N ATOM 439 CA ILE A 30 9.867 4.535 19.435 1.00 0.00 C ATOM 440 C ILE A 30 9.522 5.979 19.786 1.00 0.00 C ATOM 441 O ILE A 30 9.081 6.269 20.898 1.00 0.00 O ATOM 442 CB ILE A 30 11.396 4.401 19.311 1.00 0.00 C ATOM 443 CG1 ILE A 30 11.782 2.943 19.051 1.00 0.00 C ATOM 444 CG2 ILE A 30 12.078 4.919 20.568 1.00 0.00 C ATOM 445 CD1 ILE A 30 11.299 1.990 20.121 1.00 0.00 C ATOM 0 H ILE A 30 9.759 4.207 17.367 1.00 0.00 H new ATOM 0 HA ILE A 30 9.516 3.876 20.229 1.00 0.00 H new ATOM 0 HB ILE A 30 11.731 5.003 18.466 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.373 2.634 18.089 1.00 0.00 H new ATOM 0 HG13 ILE A 30 12.867 2.871 18.975 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.158 4.817 20.464 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.825 5.969 20.713 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.740 4.342 21.429 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.609 0.975 19.871 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.728 2.274 21.082 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.212 2.033 20.182 1.00 0.00 H new ATOM 457 N ASP A 31 9.725 6.879 18.831 1.00 0.00 N ATOM 458 CA ASP A 31 9.433 8.292 19.037 1.00 0.00 C ATOM 459 C ASP A 31 8.037 8.638 18.530 1.00 0.00 C ATOM 460 O ASP A 31 7.179 9.079 19.296 1.00 0.00 O ATOM 461 CB ASP A 31 10.476 9.159 18.330 1.00 0.00 C ATOM 462 CG ASP A 31 10.338 10.629 18.676 1.00 0.00 C ATOM 463 OD1 ASP A 31 9.517 11.315 18.032 1.00 0.00 O ATOM 464 OD2 ASP A 31 11.051 11.093 19.590 1.00 0.00 O ATOM 0 H ASP A 31 10.091 6.655 17.906 1.00 0.00 H new ATOM 0 HA ASP A 31 9.471 8.493 20.108 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.474 8.817 18.603 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.379 9.032 17.252 1.00 0.00 H new ATOM 469 N ASP A 32 7.816 8.437 17.236 1.00 0.00 N ATOM 470 CA ASP A 32 6.524 8.727 16.626 1.00 0.00 C ATOM 471 C ASP A 32 5.382 8.249 17.518 1.00 0.00 C ATOM 472 O ASP A 32 4.381 8.946 17.690 1.00 0.00 O ATOM 473 CB ASP A 32 6.424 8.065 15.251 1.00 0.00 C ATOM 474 CG ASP A 32 5.442 8.772 14.338 1.00 0.00 C ATOM 475 OD1 ASP A 32 5.845 9.753 13.679 1.00 0.00 O ATOM 476 OD2 ASP A 32 4.270 8.345 14.282 1.00 0.00 O ATOM 0 H ASP A 32 8.516 8.074 16.589 1.00 0.00 H new ATOM 0 HA ASP A 32 6.441 9.807 16.507 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.408 8.056 14.783 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.119 7.026 15.373 1.00 0.00 H new ATOM 481 N LEU A 33 5.539 7.057 18.083 1.00 0.00 N ATOM 482 CA LEU A 33 4.521 6.484 18.957 1.00 0.00 C ATOM 483 C LEU A 33 4.896 6.669 20.423 1.00 0.00 C ATOM 484 O LEU A 33 4.054 6.541 21.311 1.00 0.00 O ATOM 485 CB LEU A 33 4.334 4.998 18.649 1.00 0.00 C ATOM 486 CG LEU A 33 3.914 4.656 17.219 1.00 0.00 C ATOM 487 CD1 LEU A 33 3.457 3.208 17.129 1.00 0.00 C ATOM 488 CD2 LEU A 33 2.812 5.594 16.748 1.00 0.00 C ATOM 0 H LEU A 33 6.362 6.468 17.952 1.00 0.00 H new ATOM 0 HA LEU A 33 3.583 7.007 18.773 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.270 4.482 18.865 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.585 4.598 19.332 1.00 0.00 H new ATOM 0 HG LEU A 33 4.778 4.785 16.567 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.162 2.983 16.104 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.274 2.550 17.425 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.607 3.053 17.794 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.526 5.336 15.728 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.947 5.497 17.404 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.173 6.622 16.774 1.00 0.00 H new ATOM 500 N GLY A 34 6.167 6.972 20.670 1.00 0.00 N ATOM 501 CA GLY A 34 6.631 7.171 22.031 1.00 0.00 C ATOM 502 C GLY A 34 6.722 5.873 22.809 1.00 0.00 C ATOM 503 O GLY A 34 6.445 5.840 24.007 1.00 0.00 O ATOM 0 H GLY A 34 6.883 7.083 19.952 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.611 7.648 22.011 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.954 7.853 22.546 1.00 0.00 H new ATOM 507 N ALA A 35 7.108 4.801 22.125 1.00 0.00 N ATOM 508 CA ALA A 35 7.234 3.495 22.760 1.00 0.00 C ATOM 509 C ALA A 35 8.684 3.202 23.129 1.00 0.00 C ATOM 510 O ALA A 35 9.556 4.059 22.989 1.00 0.00 O ATOM 511 CB ALA A 35 6.691 2.408 21.843 1.00 0.00 C ATOM 0 H ALA A 35 7.339 4.811 21.132 1.00 0.00 H new ATOM 0 HA ALA A 35 6.648 3.507 23.679 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.791 1.438 22.330 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.639 2.601 21.633 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.253 2.405 20.909 1.00 0.00 H new ATOM 517 N ASP A 36 8.935 1.986 23.602 1.00 0.00 N ATOM 518 CA ASP A 36 10.280 1.579 23.992 1.00 0.00 C ATOM 519 C ASP A 36 10.717 0.336 23.223 1.00 0.00 C ATOM 520 O ASP A 36 9.943 -0.233 22.453 1.00 0.00 O ATOM 521 CB ASP A 36 10.339 1.310 25.496 1.00 0.00 C ATOM 522 CG ASP A 36 10.177 2.574 26.317 1.00 0.00 C ATOM 523 OD1 ASP A 36 11.078 3.437 26.262 1.00 0.00 O ATOM 524 OD2 ASP A 36 9.149 2.701 27.016 1.00 0.00 O ATOM 0 H ASP A 36 8.224 1.265 23.725 1.00 0.00 H new ATOM 0 HA ASP A 36 10.963 2.393 23.749 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.556 0.602 25.766 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.292 0.841 25.741 1.00 0.00 H new ATOM 529 N SER A 37 11.961 -0.079 23.436 1.00 0.00 N ATOM 530 CA SER A 37 12.502 -1.252 22.759 1.00 0.00 C ATOM 531 C SER A 37 11.577 -2.452 22.929 1.00 0.00 C ATOM 532 O SER A 37 11.421 -3.265 22.017 1.00 0.00 O ATOM 533 CB SER A 37 13.893 -1.584 23.303 1.00 0.00 C ATOM 534 OG SER A 37 14.675 -2.253 22.329 1.00 0.00 O ATOM 0 H SER A 37 12.614 0.379 24.072 1.00 0.00 H new ATOM 0 HA SER A 37 12.580 -1.024 21.696 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.395 -0.667 23.610 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.800 -2.209 24.191 1.00 0.00 H new ATOM 0 HG SER A 37 15.560 -2.453 22.700 1.00 0.00 H new ATOM 540 N LEU A 38 10.964 -2.557 24.103 1.00 0.00 N ATOM 541 CA LEU A 38 10.053 -3.659 24.395 1.00 0.00 C ATOM 542 C LEU A 38 8.981 -3.779 23.316 1.00 0.00 C ATOM 543 O LEU A 38 8.748 -4.860 22.776 1.00 0.00 O ATOM 544 CB LEU A 38 9.397 -3.455 25.762 1.00 0.00 C ATOM 545 CG LEU A 38 10.349 -3.230 26.936 1.00 0.00 C ATOM 546 CD1 LEU A 38 9.570 -2.892 28.198 1.00 0.00 C ATOM 547 CD2 LEU A 38 11.222 -4.456 27.159 1.00 0.00 C ATOM 0 H LEU A 38 11.081 -1.893 24.868 1.00 0.00 H new ATOM 0 HA LEU A 38 10.631 -4.583 24.411 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.725 -2.599 25.696 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.782 -4.328 25.981 1.00 0.00 H new ATOM 0 HG LEU A 38 10.997 -2.387 26.696 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.265 -2.735 29.023 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.989 -1.984 28.035 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.897 -3.714 28.441 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.893 -4.277 27.999 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.591 -5.318 27.376 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.808 -4.653 26.262 1.00 0.00 H new ATOM 559 N ASP A 39 8.334 -2.661 23.006 1.00 0.00 N ATOM 560 CA ASP A 39 7.289 -2.640 21.989 1.00 0.00 C ATOM 561 C ASP A 39 7.811 -3.181 20.662 1.00 0.00 C ATOM 562 O ASP A 39 7.205 -4.067 20.058 1.00 0.00 O ATOM 563 CB ASP A 39 6.759 -1.218 21.801 1.00 0.00 C ATOM 564 CG ASP A 39 5.469 -0.975 22.560 1.00 0.00 C ATOM 565 OD1 ASP A 39 5.463 -1.163 23.795 1.00 0.00 O ATOM 566 OD2 ASP A 39 4.465 -0.599 21.920 1.00 0.00 O ATOM 0 H ASP A 39 8.515 -1.758 23.444 1.00 0.00 H new ATOM 0 HA ASP A 39 6.475 -3.281 22.327 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.513 -0.505 22.135 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.593 -1.033 20.740 1.00 0.00 H new ATOM 571 N THR A 40 8.940 -2.641 20.212 1.00 0.00 N ATOM 572 CA THR A 40 9.542 -3.068 18.955 1.00 0.00 C ATOM 573 C THR A 40 9.736 -4.580 18.923 1.00 0.00 C ATOM 574 O THR A 40 9.342 -5.246 17.966 1.00 0.00 O ATOM 575 CB THR A 40 10.902 -2.382 18.723 1.00 0.00 C ATOM 576 OG1 THR A 40 10.806 -0.987 19.031 1.00 0.00 O ATOM 577 CG2 THR A 40 11.359 -2.559 17.283 1.00 0.00 C ATOM 0 H THR A 40 9.455 -1.908 20.699 1.00 0.00 H new ATOM 0 HA THR A 40 8.855 -2.776 18.160 1.00 0.00 H new ATOM 0 HB THR A 40 11.636 -2.849 19.380 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.175 -0.462 18.290 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.321 -2.066 17.143 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.460 -3.621 17.061 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.624 -2.116 16.611 1.00 0.00 H new ATOM 585 N VAL A 41 10.345 -5.116 19.976 1.00 0.00 N ATOM 586 CA VAL A 41 10.590 -6.550 20.070 1.00 0.00 C ATOM 587 C VAL A 41 9.293 -7.339 19.929 1.00 0.00 C ATOM 588 O VAL A 41 9.199 -8.258 19.116 1.00 0.00 O ATOM 589 CB VAL A 41 11.260 -6.919 21.406 1.00 0.00 C ATOM 590 CG1 VAL A 41 11.477 -8.422 21.498 1.00 0.00 C ATOM 591 CG2 VAL A 41 12.575 -6.172 21.567 1.00 0.00 C ATOM 0 H VAL A 41 10.678 -4.578 20.776 1.00 0.00 H new ATOM 0 HA VAL A 41 11.262 -6.811 19.252 1.00 0.00 H new ATOM 0 HB VAL A 41 10.597 -6.621 22.219 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.952 -8.664 22.449 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.517 -8.933 21.432 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.119 -8.748 20.679 1.00 0.00 H new ATOM 0 HG21 VAL A 41 13.035 -6.445 22.517 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.246 -6.436 20.750 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.388 -5.098 21.550 1.00 0.00 H new ATOM 601 N GLU A 42 8.294 -6.972 20.726 1.00 0.00 N ATOM 602 CA GLU A 42 7.002 -7.647 20.691 1.00 0.00 C ATOM 603 C GLU A 42 6.458 -7.704 19.266 1.00 0.00 C ATOM 604 O GLU A 42 6.094 -8.772 18.771 1.00 0.00 O ATOM 605 CB GLU A 42 6.003 -6.931 21.602 1.00 0.00 C ATOM 606 CG GLU A 42 6.391 -6.958 23.070 1.00 0.00 C ATOM 607 CD GLU A 42 5.943 -8.226 23.770 1.00 0.00 C ATOM 608 OE1 GLU A 42 6.538 -9.291 23.504 1.00 0.00 O ATOM 609 OE2 GLU A 42 4.997 -8.154 24.581 1.00 0.00 O ATOM 0 H GLU A 42 8.355 -6.212 21.403 1.00 0.00 H new ATOM 0 HA GLU A 42 7.143 -8.667 21.049 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.908 -5.894 21.279 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.022 -7.392 21.485 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.473 -6.863 23.157 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.953 -6.096 23.573 1.00 0.00 H new ATOM 616 N LEU A 43 6.404 -6.549 18.613 1.00 0.00 N ATOM 617 CA LEU A 43 5.903 -6.466 17.245 1.00 0.00 C ATOM 618 C LEU A 43 6.654 -7.429 16.331 1.00 0.00 C ATOM 619 O LEU A 43 6.046 -8.221 15.612 1.00 0.00 O ATOM 620 CB LEU A 43 6.037 -5.036 16.718 1.00 0.00 C ATOM 621 CG LEU A 43 4.851 -4.108 16.987 1.00 0.00 C ATOM 622 CD1 LEU A 43 5.264 -2.654 16.827 1.00 0.00 C ATOM 623 CD2 LEU A 43 3.692 -4.441 16.059 1.00 0.00 C ATOM 0 H LEU A 43 6.701 -5.657 19.008 1.00 0.00 H new ATOM 0 HA LEU A 43 4.850 -6.747 17.252 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.929 -4.590 17.158 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.201 -5.081 15.641 1.00 0.00 H new ATOM 0 HG LEU A 43 4.522 -4.259 18.015 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.407 -2.009 17.022 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.061 -2.422 17.533 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.620 -2.487 15.810 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.857 -3.771 16.265 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.009 -4.319 15.023 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.379 -5.472 16.224 1.00 0.00 H new ATOM 635 N VAL A 44 7.981 -7.356 16.366 1.00 0.00 N ATOM 636 CA VAL A 44 8.816 -8.223 15.543 1.00 0.00 C ATOM 637 C VAL A 44 8.428 -9.687 15.719 1.00 0.00 C ATOM 638 O VAL A 44 8.219 -10.405 14.741 1.00 0.00 O ATOM 639 CB VAL A 44 10.308 -8.055 15.886 1.00 0.00 C ATOM 640 CG1 VAL A 44 11.159 -8.992 15.042 1.00 0.00 C ATOM 641 CG2 VAL A 44 10.739 -6.609 15.692 1.00 0.00 C ATOM 0 H VAL A 44 8.501 -6.706 16.955 1.00 0.00 H new ATOM 0 HA VAL A 44 8.653 -7.928 14.506 1.00 0.00 H new ATOM 0 HB VAL A 44 10.454 -8.316 16.934 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.210 -8.859 15.298 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.866 -10.024 15.236 1.00 0.00 H new ATOM 0 HG13 VAL A 44 11.012 -8.765 13.986 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.796 -6.508 15.939 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.579 -6.318 14.654 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.151 -5.963 16.344 1.00 0.00 H new ATOM 651 N MET A 45 8.333 -10.123 16.971 1.00 0.00 N ATOM 652 CA MET A 45 7.967 -11.502 17.274 1.00 0.00 C ATOM 653 C MET A 45 6.623 -11.858 16.647 1.00 0.00 C ATOM 654 O MET A 45 6.489 -12.890 15.990 1.00 0.00 O ATOM 655 CB MET A 45 7.910 -11.715 18.788 1.00 0.00 C ATOM 656 CG MET A 45 9.278 -11.873 19.431 1.00 0.00 C ATOM 657 SD MET A 45 9.222 -12.832 20.957 1.00 0.00 S ATOM 658 CE MET A 45 9.179 -14.500 20.307 1.00 0.00 C ATOM 0 H MET A 45 8.504 -9.542 17.792 1.00 0.00 H new ATOM 0 HA MET A 45 8.729 -12.156 16.851 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.397 -10.869 19.247 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.313 -12.602 19.000 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.953 -12.359 18.726 1.00 0.00 H new ATOM 0 HG3 MET A 45 9.692 -10.887 19.641 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.143 -15.211 21.132 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.295 -14.624 19.682 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.073 -14.681 19.711 1.00 0.00 H new ATOM 668 N ALA A 46 5.631 -10.999 16.856 1.00 0.00 N ATOM 669 CA ALA A 46 4.299 -11.223 16.309 1.00 0.00 C ATOM 670 C ALA A 46 4.355 -11.456 14.803 1.00 0.00 C ATOM 671 O ALA A 46 3.763 -12.405 14.289 1.00 0.00 O ATOM 672 CB ALA A 46 3.392 -10.044 16.630 1.00 0.00 C ATOM 0 H ALA A 46 5.725 -10.141 17.400 1.00 0.00 H new ATOM 0 HA ALA A 46 3.889 -12.120 16.773 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.400 -10.225 16.216 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.318 -9.926 17.711 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.808 -9.136 16.194 1.00 0.00 H new ATOM 678 N PHE A 47 5.068 -10.582 14.101 1.00 0.00 N ATOM 679 CA PHE A 47 5.200 -10.692 12.652 1.00 0.00 C ATOM 680 C PHE A 47 5.872 -12.006 12.265 1.00 0.00 C ATOM 681 O PHE A 47 5.465 -12.664 11.309 1.00 0.00 O ATOM 682 CB PHE A 47 6.004 -9.513 12.101 1.00 0.00 C ATOM 683 CG PHE A 47 5.272 -8.203 12.171 1.00 0.00 C ATOM 684 CD1 PHE A 47 4.086 -8.019 11.479 1.00 0.00 C ATOM 685 CD2 PHE A 47 5.770 -7.155 12.930 1.00 0.00 C ATOM 686 CE1 PHE A 47 3.411 -6.815 11.541 1.00 0.00 C ATOM 687 CE2 PHE A 47 5.099 -5.949 12.996 1.00 0.00 C ATOM 688 CZ PHE A 47 3.917 -5.779 12.301 1.00 0.00 C ATOM 0 H PHE A 47 5.563 -9.790 14.511 1.00 0.00 H new ATOM 0 HA PHE A 47 4.200 -10.675 12.219 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.938 -9.429 12.657 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.269 -9.717 11.064 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.684 -8.826 10.884 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.693 -7.283 13.476 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.488 -6.684 10.995 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.498 -5.140 13.590 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.390 -4.838 12.352 1.00 0.00 H new ATOM 698 N GLU A 48 6.904 -12.379 13.016 1.00 0.00 N ATOM 699 CA GLU A 48 7.634 -13.613 12.750 1.00 0.00 C ATOM 700 C GLU A 48 6.716 -14.826 12.877 1.00 0.00 C ATOM 701 O GLU A 48 6.799 -15.765 12.086 1.00 0.00 O ATOM 702 CB GLU A 48 8.815 -13.751 13.713 1.00 0.00 C ATOM 703 CG GLU A 48 9.930 -12.751 13.454 1.00 0.00 C ATOM 704 CD GLU A 48 10.971 -12.740 14.557 1.00 0.00 C ATOM 705 OE1 GLU A 48 11.860 -13.617 14.541 1.00 0.00 O ATOM 706 OE2 GLU A 48 10.896 -11.856 15.435 1.00 0.00 O ATOM 0 H GLU A 48 7.253 -11.845 13.812 1.00 0.00 H new ATOM 0 HA GLU A 48 8.011 -13.569 11.728 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.457 -13.627 14.735 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.219 -14.761 13.638 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.413 -12.988 12.506 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.502 -11.754 13.353 1.00 0.00 H new ATOM 713 N GLU A 49 5.843 -14.798 13.879 1.00 0.00 N ATOM 714 CA GLU A 49 4.911 -15.895 14.111 1.00 0.00 C ATOM 715 C GLU A 49 3.744 -15.834 13.129 1.00 0.00 C ATOM 716 O GLU A 49 3.127 -16.853 12.820 1.00 0.00 O ATOM 717 CB GLU A 49 4.386 -15.853 15.548 1.00 0.00 C ATOM 718 CG GLU A 49 3.918 -17.203 16.064 1.00 0.00 C ATOM 719 CD GLU A 49 5.029 -18.235 16.088 1.00 0.00 C ATOM 720 OE1 GLU A 49 5.806 -18.247 17.066 1.00 0.00 O ATOM 721 OE2 GLU A 49 5.121 -19.031 15.130 1.00 0.00 O ATOM 0 H GLU A 49 5.762 -14.028 14.543 1.00 0.00 H new ATOM 0 HA GLU A 49 5.446 -16.832 13.955 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.172 -15.476 16.202 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.559 -15.146 15.603 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.516 -17.084 17.070 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.104 -17.565 15.436 1.00 0.00 H new ATOM 728 N GLU A 50 3.448 -14.632 12.645 1.00 0.00 N ATOM 729 CA GLU A 50 2.354 -14.439 11.700 1.00 0.00 C ATOM 730 C GLU A 50 2.756 -14.896 10.301 1.00 0.00 C ATOM 731 O GLU A 50 2.080 -15.722 9.688 1.00 0.00 O ATOM 732 CB GLU A 50 1.935 -12.967 11.666 1.00 0.00 C ATOM 733 CG GLU A 50 0.778 -12.643 12.597 1.00 0.00 C ATOM 734 CD GLU A 50 1.050 -13.054 14.031 1.00 0.00 C ATOM 735 OE1 GLU A 50 1.074 -14.273 14.303 1.00 0.00 O ATOM 736 OE2 GLU A 50 1.238 -12.159 14.880 1.00 0.00 O ATOM 0 H GLU A 50 3.949 -13.778 12.891 1.00 0.00 H new ATOM 0 HA GLU A 50 1.510 -15.043 12.032 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.791 -12.348 11.934 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.656 -12.701 10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.577 -11.572 12.562 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.121 -13.148 12.243 1.00 0.00 H new ATOM 743 N PHE A 51 3.862 -14.354 9.802 1.00 0.00 N ATOM 744 CA PHE A 51 4.354 -14.705 8.475 1.00 0.00 C ATOM 745 C PHE A 51 5.103 -16.033 8.507 1.00 0.00 C ATOM 746 O PHE A 51 5.208 -16.724 7.494 1.00 0.00 O ATOM 747 CB PHE A 51 5.271 -13.602 7.940 1.00 0.00 C ATOM 748 CG PHE A 51 4.534 -12.363 7.517 1.00 0.00 C ATOM 749 CD1 PHE A 51 4.192 -11.394 8.446 1.00 0.00 C ATOM 750 CD2 PHE A 51 4.185 -12.168 6.191 1.00 0.00 C ATOM 751 CE1 PHE A 51 3.514 -10.253 8.059 1.00 0.00 C ATOM 752 CE2 PHE A 51 3.507 -11.029 5.798 1.00 0.00 C ATOM 753 CZ PHE A 51 3.172 -10.070 6.733 1.00 0.00 C ATOM 0 H PHE A 51 4.435 -13.670 10.297 1.00 0.00 H new ATOM 0 HA PHE A 51 3.495 -14.808 7.812 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.997 -13.339 8.710 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.834 -13.989 7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.458 -11.531 9.484 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.446 -12.914 5.455 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.252 -9.505 8.793 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.240 -10.890 4.761 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.644 -9.179 6.428 1.00 0.00 H new ATOM 763 N GLY A 52 5.624 -16.385 9.679 1.00 0.00 N ATOM 764 CA GLY A 52 6.357 -17.629 9.822 1.00 0.00 C ATOM 765 C GLY A 52 7.833 -17.471 9.512 1.00 0.00 C ATOM 766 O GLY A 52 8.519 -18.447 9.208 1.00 0.00 O ATOM 0 H GLY A 52 5.551 -15.830 10.532 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.240 -18.001 10.840 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.927 -18.379 9.158 1.00 0.00 H new ATOM 770 N VAL A 53 8.323 -16.238 9.587 1.00 0.00 N ATOM 771 CA VAL A 53 9.726 -15.955 9.311 1.00 0.00 C ATOM 772 C VAL A 53 10.554 -15.980 10.592 1.00 0.00 C ATOM 773 O VAL A 53 10.094 -15.546 11.647 1.00 0.00 O ATOM 774 CB VAL A 53 9.899 -14.585 8.628 1.00 0.00 C ATOM 775 CG1 VAL A 53 9.224 -14.578 7.266 1.00 0.00 C ATOM 776 CG2 VAL A 53 9.347 -13.476 9.512 1.00 0.00 C ATOM 0 H VAL A 53 7.769 -15.419 9.837 1.00 0.00 H new ATOM 0 HA VAL A 53 10.080 -16.736 8.637 1.00 0.00 H new ATOM 0 HB VAL A 53 10.964 -14.404 8.479 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.357 -13.602 6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.671 -15.346 6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.160 -14.781 7.386 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.477 -12.515 9.014 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.286 -13.650 9.694 1.00 0.00 H new ATOM 0 HG23 VAL A 53 9.881 -13.468 10.462 1.00 0.00 H new ATOM 786 N GLU A 54 11.777 -16.491 10.490 1.00 0.00 N ATOM 787 CA GLU A 54 12.668 -16.572 11.641 1.00 0.00 C ATOM 788 C GLU A 54 13.864 -15.641 11.470 1.00 0.00 C ATOM 789 O GLU A 54 14.681 -15.821 10.566 1.00 0.00 O ATOM 790 CB GLU A 54 13.152 -18.010 11.838 1.00 0.00 C ATOM 791 CG GLU A 54 13.607 -18.681 10.553 1.00 0.00 C ATOM 792 CD GLU A 54 14.144 -20.080 10.784 1.00 0.00 C ATOM 793 OE1 GLU A 54 13.491 -20.852 11.517 1.00 0.00 O ATOM 794 OE2 GLU A 54 15.216 -20.404 10.232 1.00 0.00 O ATOM 0 H GLU A 54 12.173 -16.855 9.623 1.00 0.00 H new ATOM 0 HA GLU A 54 12.109 -16.259 12.523 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.977 -18.012 12.551 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.347 -18.598 12.280 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.770 -18.728 9.856 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.380 -18.072 10.083 1.00 0.00 H new ATOM 801 N ILE A 55 13.960 -14.644 12.344 1.00 0.00 N ATOM 802 CA ILE A 55 15.056 -13.685 12.290 1.00 0.00 C ATOM 803 C ILE A 55 15.773 -13.593 13.633 1.00 0.00 C ATOM 804 O ILE A 55 15.212 -13.896 14.686 1.00 0.00 O ATOM 805 CB ILE A 55 14.558 -12.283 11.890 1.00 0.00 C ATOM 806 CG1 ILE A 55 13.291 -11.927 12.669 1.00 0.00 C ATOM 807 CG2 ILE A 55 14.301 -12.220 10.392 1.00 0.00 C ATOM 808 CD1 ILE A 55 12.900 -10.470 12.553 1.00 0.00 C ATOM 0 H ILE A 55 13.292 -14.480 13.097 1.00 0.00 H new ATOM 0 HA ILE A 55 15.753 -14.044 11.533 1.00 0.00 H new ATOM 0 HB ILE A 55 15.330 -11.555 12.137 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.468 -12.545 12.311 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.440 -12.172 13.721 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.950 -11.223 10.125 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.225 -12.435 9.855 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.544 -12.956 10.121 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.993 -10.290 13.130 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.706 -9.845 12.938 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.719 -10.224 11.507 1.00 0.00 H new ATOM 820 N PRO A 56 17.043 -13.164 13.598 1.00 0.00 N ATOM 821 CA PRO A 56 17.864 -13.019 14.804 1.00 0.00 C ATOM 822 C PRO A 56 17.396 -11.869 15.689 1.00 0.00 C ATOM 823 O PRO A 56 16.566 -11.057 15.281 1.00 0.00 O ATOM 824 CB PRO A 56 19.262 -12.734 14.250 1.00 0.00 C ATOM 825 CG PRO A 56 19.022 -12.131 12.909 1.00 0.00 C ATOM 826 CD PRO A 56 17.776 -12.785 12.378 1.00 0.00 C ATOM 0 HA PRO A 56 17.815 -13.904 15.439 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.813 -12.052 14.898 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.851 -13.648 14.174 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.894 -11.051 12.984 1.00 0.00 H new ATOM 0 HG3 PRO A 56 19.868 -12.307 12.245 1.00 0.00 H new ATOM 0 HD2 PRO A 56 17.197 -12.101 11.757 1.00 0.00 H new ATOM 0 HD3 PRO A 56 18.009 -13.654 11.763 1.00 0.00 H new ATOM 834 N ASP A 57 17.935 -11.805 16.902 1.00 0.00 N ATOM 835 CA ASP A 57 17.574 -10.753 17.844 1.00 0.00 C ATOM 836 C ASP A 57 18.080 -9.396 17.364 1.00 0.00 C ATOM 837 O ASP A 57 17.441 -8.369 17.590 1.00 0.00 O ATOM 838 CB ASP A 57 18.143 -11.062 19.230 1.00 0.00 C ATOM 839 CG ASP A 57 17.713 -10.049 20.272 1.00 0.00 C ATOM 840 OD1 ASP A 57 18.243 -8.919 20.256 1.00 0.00 O ATOM 841 OD2 ASP A 57 16.844 -10.386 21.104 1.00 0.00 O ATOM 0 H ASP A 57 18.623 -12.470 17.255 1.00 0.00 H new ATOM 0 HA ASP A 57 16.487 -10.714 17.907 1.00 0.00 H new ATOM 0 HB2 ASP A 57 17.819 -12.056 19.539 1.00 0.00 H new ATOM 0 HB3 ASP A 57 19.231 -11.083 19.176 1.00 0.00 H new ATOM 846 N ASP A 58 19.232 -9.401 16.703 1.00 0.00 N ATOM 847 CA ASP A 58 19.825 -8.171 16.191 1.00 0.00 C ATOM 848 C ASP A 58 18.841 -7.427 15.293 1.00 0.00 C ATOM 849 O ASP A 58 18.915 -6.206 15.153 1.00 0.00 O ATOM 850 CB ASP A 58 21.107 -8.481 15.417 1.00 0.00 C ATOM 851 CG ASP A 58 22.236 -8.931 16.323 1.00 0.00 C ATOM 852 OD1 ASP A 58 22.650 -8.138 17.194 1.00 0.00 O ATOM 853 OD2 ASP A 58 22.704 -10.078 16.162 1.00 0.00 O ATOM 0 H ASP A 58 19.774 -10.243 16.509 1.00 0.00 H new ATOM 0 HA ASP A 58 20.069 -7.533 17.040 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.904 -9.259 14.681 1.00 0.00 H new ATOM 0 HB3 ASP A 58 21.419 -7.594 14.866 1.00 0.00 H new ATOM 858 N ALA A 59 17.923 -8.171 14.686 1.00 0.00 N ATOM 859 CA ALA A 59 16.924 -7.581 13.802 1.00 0.00 C ATOM 860 C ALA A 59 16.145 -6.480 14.512 1.00 0.00 C ATOM 861 O ALA A 59 15.691 -5.524 13.884 1.00 0.00 O ATOM 862 CB ALA A 59 15.976 -8.654 13.288 1.00 0.00 C ATOM 0 H ALA A 59 17.850 -9.183 14.790 1.00 0.00 H new ATOM 0 HA ALA A 59 17.443 -7.134 12.954 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.235 -8.200 12.629 1.00 0.00 H new ATOM 0 HB2 ALA A 59 16.541 -9.405 12.736 1.00 0.00 H new ATOM 0 HB3 ALA A 59 15.471 -9.127 14.130 1.00 0.00 H new ATOM 868 N ALA A 60 15.992 -6.620 15.825 1.00 0.00 N ATOM 869 CA ALA A 60 15.269 -5.636 16.620 1.00 0.00 C ATOM 870 C ALA A 60 16.056 -4.335 16.733 1.00 0.00 C ATOM 871 O ALA A 60 15.480 -3.266 16.932 1.00 0.00 O ATOM 872 CB ALA A 60 14.967 -6.194 18.003 1.00 0.00 C ATOM 0 H ALA A 60 16.360 -7.406 16.361 1.00 0.00 H new ATOM 0 HA ALA A 60 14.328 -5.418 16.114 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.427 -5.448 18.586 1.00 0.00 H new ATOM 0 HB2 ALA A 60 14.357 -7.092 17.908 1.00 0.00 H new ATOM 0 HB3 ALA A 60 15.901 -6.442 18.507 1.00 0.00 H new ATOM 878 N GLU A 61 17.376 -4.434 16.604 1.00 0.00 N ATOM 879 CA GLU A 61 18.241 -3.264 16.693 1.00 0.00 C ATOM 880 C GLU A 61 18.393 -2.595 15.330 1.00 0.00 C ATOM 881 O GLU A 61 19.168 -1.650 15.172 1.00 0.00 O ATOM 882 CB GLU A 61 19.616 -3.660 17.235 1.00 0.00 C ATOM 883 CG GLU A 61 19.559 -4.388 18.568 1.00 0.00 C ATOM 884 CD GLU A 61 19.106 -3.491 19.704 1.00 0.00 C ATOM 885 OE1 GLU A 61 17.917 -3.112 19.723 1.00 0.00 O ATOM 886 OE2 GLU A 61 19.943 -3.170 20.574 1.00 0.00 O ATOM 0 H GLU A 61 17.869 -5.312 16.438 1.00 0.00 H new ATOM 0 HA GLU A 61 17.779 -2.553 17.378 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.116 -4.296 16.504 1.00 0.00 H new ATOM 0 HB3 GLU A 61 20.225 -2.763 17.346 1.00 0.00 H new ATOM 0 HG2 GLU A 61 18.879 -5.236 18.486 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.545 -4.792 18.800 1.00 0.00 H new ATOM 893 N THR A 62 17.648 -3.091 14.347 1.00 0.00 N ATOM 894 CA THR A 62 17.700 -2.543 12.998 1.00 0.00 C ATOM 895 C THR A 62 16.355 -1.953 12.592 1.00 0.00 C ATOM 896 O THR A 62 16.274 -1.152 11.659 1.00 0.00 O ATOM 897 CB THR A 62 18.108 -3.617 11.971 1.00 0.00 C ATOM 898 OG1 THR A 62 17.030 -4.537 11.771 1.00 0.00 O ATOM 899 CG2 THR A 62 19.345 -4.370 12.438 1.00 0.00 C ATOM 0 H THR A 62 17.001 -3.872 14.460 1.00 0.00 H new ATOM 0 HA THR A 62 18.452 -1.754 13.006 1.00 0.00 H new ATOM 0 HB THR A 62 18.340 -3.119 11.029 1.00 0.00 H new ATOM 0 HG1 THR A 62 16.594 -4.722 12.629 1.00 0.00 H new ATOM 0 HG21 THR A 62 19.614 -5.123 11.697 1.00 0.00 H new ATOM 0 HG22 THR A 62 20.172 -3.671 12.561 1.00 0.00 H new ATOM 0 HG23 THR A 62 19.137 -4.857 13.391 1.00 0.00 H new ATOM 907 N ILE A 63 15.302 -2.352 13.297 1.00 0.00 N ATOM 908 CA ILE A 63 13.960 -1.860 13.010 1.00 0.00 C ATOM 909 C ILE A 63 13.622 -0.650 13.874 1.00 0.00 C ATOM 910 O ILE A 63 13.324 -0.785 15.062 1.00 0.00 O ATOM 911 CB ILE A 63 12.899 -2.953 13.238 1.00 0.00 C ATOM 912 CG1 ILE A 63 13.190 -4.168 12.356 1.00 0.00 C ATOM 913 CG2 ILE A 63 11.507 -2.407 12.955 1.00 0.00 C ATOM 914 CD1 ILE A 63 12.340 -5.374 12.689 1.00 0.00 C ATOM 0 H ILE A 63 15.352 -3.014 14.071 1.00 0.00 H new ATOM 0 HA ILE A 63 13.948 -1.568 11.960 1.00 0.00 H new ATOM 0 HB ILE A 63 12.940 -3.267 14.281 1.00 0.00 H new ATOM 0 HG12 ILE A 63 13.028 -3.897 11.313 1.00 0.00 H new ATOM 0 HG13 ILE A 63 14.242 -4.436 12.456 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.768 -3.191 13.120 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.302 -1.569 13.621 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.452 -2.069 11.920 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.600 -6.197 12.024 1.00 0.00 H new ATOM 0 HD12 ILE A 63 12.519 -5.671 13.722 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.287 -5.123 12.561 1.00 0.00 H new ATOM 926 N LEU A 64 13.667 0.533 13.271 1.00 0.00 N ATOM 927 CA LEU A 64 13.363 1.768 13.984 1.00 0.00 C ATOM 928 C LEU A 64 12.048 2.368 13.498 1.00 0.00 C ATOM 929 O LEU A 64 11.229 2.827 14.295 1.00 0.00 O ATOM 930 CB LEU A 64 14.497 2.778 13.801 1.00 0.00 C ATOM 931 CG LEU A 64 15.906 2.268 14.104 1.00 0.00 C ATOM 932 CD1 LEU A 64 16.950 3.220 13.542 1.00 0.00 C ATOM 933 CD2 LEU A 64 16.097 2.088 15.603 1.00 0.00 C ATOM 0 H LEU A 64 13.911 0.663 12.289 1.00 0.00 H new ATOM 0 HA LEU A 64 13.263 1.532 15.043 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.475 3.136 12.772 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.298 3.637 14.441 1.00 0.00 H new ATOM 0 HG LEU A 64 16.032 1.298 13.623 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.947 2.841 13.767 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.827 3.298 12.462 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.826 4.204 13.994 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.105 1.724 15.800 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.951 3.044 16.106 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.371 1.366 15.978 1.00 0.00 H new ATOM 945 N THR A 65 11.850 2.361 12.183 1.00 0.00 N ATOM 946 CA THR A 65 10.634 2.903 11.590 1.00 0.00 C ATOM 947 C THR A 65 9.832 1.814 10.887 1.00 0.00 C ATOM 948 O THR A 65 10.320 0.702 10.684 1.00 0.00 O ATOM 949 CB THR A 65 10.953 4.023 10.581 1.00 0.00 C ATOM 950 OG1 THR A 65 11.684 3.489 9.472 1.00 0.00 O ATOM 951 CG2 THR A 65 11.758 5.132 11.240 1.00 0.00 C ATOM 0 H THR A 65 12.517 1.986 11.509 1.00 0.00 H new ATOM 0 HA THR A 65 10.041 3.317 12.406 1.00 0.00 H new ATOM 0 HB THR A 65 10.011 4.442 10.227 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.242 3.744 8.635 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.971 5.911 10.508 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.186 5.556 12.065 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.695 4.725 11.620 1.00 0.00 H new ATOM 959 N VAL A 66 8.598 2.140 10.517 1.00 0.00 N ATOM 960 CA VAL A 66 7.728 1.190 9.834 1.00 0.00 C ATOM 961 C VAL A 66 8.426 0.575 8.626 1.00 0.00 C ATOM 962 O VAL A 66 8.407 -0.640 8.437 1.00 0.00 O ATOM 963 CB VAL A 66 6.420 1.858 9.372 1.00 0.00 C ATOM 964 CG1 VAL A 66 5.550 0.865 8.616 1.00 0.00 C ATOM 965 CG2 VAL A 66 5.669 2.439 10.561 1.00 0.00 C ATOM 0 H VAL A 66 8.178 3.055 10.679 1.00 0.00 H new ATOM 0 HA VAL A 66 7.492 0.405 10.552 1.00 0.00 H new ATOM 0 HB VAL A 66 6.670 2.675 8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.630 1.356 8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.089 0.502 7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.307 0.025 9.267 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.747 2.907 10.216 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.430 1.642 11.265 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.291 3.185 11.055 1.00 0.00 H new ATOM 975 N GLY A 67 9.044 1.425 7.811 1.00 0.00 N ATOM 976 CA GLY A 67 9.741 0.946 6.631 1.00 0.00 C ATOM 977 C GLY A 67 10.728 -0.160 6.949 1.00 0.00 C ATOM 978 O GLY A 67 10.843 -1.132 6.202 1.00 0.00 O ATOM 0 H GLY A 67 9.074 2.435 7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.013 0.582 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.269 1.777 6.163 1.00 0.00 H new ATOM 982 N ASP A 68 11.443 -0.011 8.059 1.00 0.00 N ATOM 983 CA ASP A 68 12.426 -1.006 8.474 1.00 0.00 C ATOM 984 C ASP A 68 11.755 -2.344 8.766 1.00 0.00 C ATOM 985 O ASP A 68 12.115 -3.369 8.188 1.00 0.00 O ATOM 986 CB ASP A 68 13.183 -0.520 9.711 1.00 0.00 C ATOM 987 CG ASP A 68 13.902 0.793 9.471 1.00 0.00 C ATOM 988 OD1 ASP A 68 14.043 1.187 8.294 1.00 0.00 O ATOM 989 OD2 ASP A 68 14.323 1.427 10.461 1.00 0.00 O ATOM 0 H ASP A 68 11.361 0.788 8.687 1.00 0.00 H new ATOM 0 HA ASP A 68 13.133 -1.146 7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.483 -0.402 10.538 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.907 -1.278 10.011 1.00 0.00 H new ATOM 994 N ALA A 69 10.777 -2.326 9.666 1.00 0.00 N ATOM 995 CA ALA A 69 10.055 -3.538 10.034 1.00 0.00 C ATOM 996 C ALA A 69 9.428 -4.196 8.810 1.00 0.00 C ATOM 997 O ALA A 69 9.636 -5.382 8.555 1.00 0.00 O ATOM 998 CB ALA A 69 8.988 -3.222 11.071 1.00 0.00 C ATOM 0 H ALA A 69 10.467 -1.486 10.154 1.00 0.00 H new ATOM 0 HA ALA A 69 10.769 -4.240 10.466 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.457 -4.136 11.337 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.458 -2.804 11.961 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.283 -2.499 10.659 1.00 0.00 H new ATOM 1004 N VAL A 70 8.657 -3.418 8.056 1.00 0.00 N ATOM 1005 CA VAL A 70 7.999 -3.926 6.857 1.00 0.00 C ATOM 1006 C VAL A 70 9.011 -4.516 5.883 1.00 0.00 C ATOM 1007 O VAL A 70 8.875 -5.659 5.445 1.00 0.00 O ATOM 1008 CB VAL A 70 7.201 -2.818 6.144 1.00 0.00 C ATOM 1009 CG1 VAL A 70 6.544 -3.361 4.884 1.00 0.00 C ATOM 1010 CG2 VAL A 70 6.163 -2.221 7.082 1.00 0.00 C ATOM 0 H VAL A 70 8.473 -2.434 8.254 1.00 0.00 H new ATOM 0 HA VAL A 70 7.312 -4.708 7.180 1.00 0.00 H new ATOM 0 HB VAL A 70 7.891 -2.026 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.985 -2.565 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.311 -3.736 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.865 -4.172 5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.609 -1.440 6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.474 -3.001 7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.662 -1.794 7.952 1.00 0.00 H new ATOM 1020 N LYS A 71 10.028 -3.730 5.546 1.00 0.00 N ATOM 1021 CA LYS A 71 11.067 -4.175 4.623 1.00 0.00 C ATOM 1022 C LYS A 71 11.717 -5.463 5.117 1.00 0.00 C ATOM 1023 O LYS A 71 12.102 -6.320 4.321 1.00 0.00 O ATOM 1024 CB LYS A 71 12.129 -3.086 4.456 1.00 0.00 C ATOM 1025 CG LYS A 71 11.695 -1.948 3.548 1.00 0.00 C ATOM 1026 CD LYS A 71 12.756 -0.862 3.470 1.00 0.00 C ATOM 1027 CE LYS A 71 13.935 -1.297 2.613 1.00 0.00 C ATOM 1028 NZ LYS A 71 14.949 -0.215 2.477 1.00 0.00 N ATOM 0 H LYS A 71 10.155 -2.781 5.898 1.00 0.00 H new ATOM 0 HA LYS A 71 10.602 -4.371 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.380 -2.682 5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.037 -3.535 4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.494 -2.335 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.763 -1.521 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.319 0.046 3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.104 -0.619 4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.400 -2.178 3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.578 -1.587 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.737 -0.550 1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.511 0.617 2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.308 0.045 3.418 1.00 0.00 H new ATOM 1042 N PHE A 72 11.836 -5.594 6.434 1.00 0.00 N ATOM 1043 CA PHE A 72 12.440 -6.779 7.033 1.00 0.00 C ATOM 1044 C PHE A 72 11.577 -8.013 6.787 1.00 0.00 C ATOM 1045 O PHE A 72 12.053 -9.022 6.266 1.00 0.00 O ATOM 1046 CB PHE A 72 12.637 -6.572 8.536 1.00 0.00 C ATOM 1047 CG PHE A 72 13.859 -7.254 9.080 1.00 0.00 C ATOM 1048 CD1 PHE A 72 14.147 -8.565 8.737 1.00 0.00 C ATOM 1049 CD2 PHE A 72 14.721 -6.584 9.933 1.00 0.00 C ATOM 1050 CE1 PHE A 72 15.271 -9.196 9.237 1.00 0.00 C ATOM 1051 CE2 PHE A 72 15.847 -7.209 10.436 1.00 0.00 C ATOM 1052 CZ PHE A 72 16.123 -8.517 10.086 1.00 0.00 C ATOM 0 H PHE A 72 11.522 -4.895 7.107 1.00 0.00 H new ATOM 0 HA PHE A 72 13.411 -6.938 6.564 1.00 0.00 H new ATOM 0 HB2 PHE A 72 12.705 -5.504 8.742 1.00 0.00 H new ATOM 0 HB3 PHE A 72 11.758 -6.943 9.064 1.00 0.00 H new ATOM 0 HD1 PHE A 72 13.486 -9.100 8.071 1.00 0.00 H new ATOM 0 HD2 PHE A 72 14.511 -5.561 10.208 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.483 -10.219 8.964 1.00 0.00 H new ATOM 0 HE2 PHE A 72 16.510 -6.676 11.101 1.00 0.00 H new ATOM 0 HZ PHE A 72 17.003 -9.007 10.475 1.00 0.00 H new ATOM 1062 N ILE A 73 10.306 -7.923 7.165 1.00 0.00 N ATOM 1063 CA ILE A 73 9.377 -9.032 6.985 1.00 0.00 C ATOM 1064 C ILE A 73 9.278 -9.434 5.518 1.00 0.00 C ATOM 1065 O ILE A 73 9.165 -10.617 5.194 1.00 0.00 O ATOM 1066 CB ILE A 73 7.971 -8.677 7.504 1.00 0.00 C ATOM 1067 CG1 ILE A 73 8.029 -8.304 8.987 1.00 0.00 C ATOM 1068 CG2 ILE A 73 7.015 -9.840 7.282 1.00 0.00 C ATOM 1069 CD1 ILE A 73 6.827 -7.518 9.460 1.00 0.00 C ATOM 0 H ILE A 73 9.897 -7.095 7.597 1.00 0.00 H new ATOM 0 HA ILE A 73 9.769 -9.869 7.563 1.00 0.00 H new ATOM 0 HB ILE A 73 7.601 -7.816 6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.113 -9.215 9.579 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.930 -7.720 9.171 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.026 -9.574 7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.954 -10.063 6.217 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.379 -10.718 7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.936 -7.289 10.520 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.753 -6.590 8.894 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.923 -8.108 9.308 1.00 0.00 H new ATOM 1081 N ASP A 74 9.325 -8.443 4.634 1.00 0.00 N ATOM 1082 CA ASP A 74 9.244 -8.694 3.200 1.00 0.00 C ATOM 1083 C ASP A 74 10.527 -9.343 2.688 1.00 0.00 C ATOM 1084 O ASP A 74 10.489 -10.240 1.846 1.00 0.00 O ATOM 1085 CB ASP A 74 8.982 -7.389 2.446 1.00 0.00 C ATOM 1086 CG ASP A 74 9.164 -7.538 0.949 1.00 0.00 C ATOM 1087 OD1 ASP A 74 8.216 -8.001 0.280 1.00 0.00 O ATOM 1088 OD2 ASP A 74 10.254 -7.194 0.445 1.00 0.00 O ATOM 0 H ASP A 74 9.419 -7.459 4.885 1.00 0.00 H new ATOM 0 HA ASP A 74 8.415 -9.380 3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.967 -7.051 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.657 -6.617 2.816 1.00 0.00 H new ATOM 1093 N LYS A 75 11.662 -8.882 3.202 1.00 0.00 N ATOM 1094 CA LYS A 75 12.957 -9.416 2.799 1.00 0.00 C ATOM 1095 C LYS A 75 13.139 -10.844 3.306 1.00 0.00 C ATOM 1096 O LYS A 75 13.710 -11.689 2.617 1.00 0.00 O ATOM 1097 CB LYS A 75 14.086 -8.528 3.328 1.00 0.00 C ATOM 1098 CG LYS A 75 14.482 -7.415 2.374 1.00 0.00 C ATOM 1099 CD LYS A 75 15.784 -6.755 2.796 1.00 0.00 C ATOM 1100 CE LYS A 75 16.551 -6.219 1.597 1.00 0.00 C ATOM 1101 NZ LYS A 75 15.771 -5.191 0.854 1.00 0.00 N ATOM 0 H LYS A 75 11.711 -8.139 3.899 1.00 0.00 H new ATOM 0 HA LYS A 75 12.993 -9.428 1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.777 -8.089 4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.959 -9.148 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.587 -7.818 1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.690 -6.667 2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.572 -5.940 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 75 16.402 -7.476 3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.494 -5.787 1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.798 -7.042 0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.375 -4.754 0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.951 -5.640 0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.441 -4.460 1.516 1.00 0.00 H new ATOM 1115 N ALA A 76 12.649 -11.105 4.513 1.00 0.00 N ATOM 1116 CA ALA A 76 12.755 -12.430 5.110 1.00 0.00 C ATOM 1117 C ALA A 76 11.679 -13.364 4.567 1.00 0.00 C ATOM 1118 O ALA A 76 11.846 -14.584 4.563 1.00 0.00 O ATOM 1119 CB ALA A 76 12.658 -12.336 6.626 1.00 0.00 C ATOM 0 H ALA A 76 12.175 -10.416 5.097 1.00 0.00 H new ATOM 0 HA ALA A 76 13.728 -12.844 4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.739 -13.333 7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.466 -11.710 7.004 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.699 -11.897 6.903 1.00 0.00 H new ATOM 1125 N SER A 77 10.574 -12.784 4.109 1.00 0.00 N ATOM 1126 CA SER A 77 9.468 -13.565 3.568 1.00 0.00 C ATOM 1127 C SER A 77 9.901 -14.326 2.318 1.00 0.00 C ATOM 1128 O SER A 77 9.567 -15.497 2.144 1.00 0.00 O ATOM 1129 CB SER A 77 8.284 -12.653 3.239 1.00 0.00 C ATOM 1130 OG SER A 77 7.367 -13.300 2.374 1.00 0.00 O ATOM 0 H SER A 77 10.421 -11.776 4.102 1.00 0.00 H new ATOM 0 HA SER A 77 9.162 -14.287 4.325 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.778 -12.363 4.160 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.645 -11.737 2.772 1.00 0.00 H new ATOM 0 HG SER A 77 6.619 -12.697 2.180 1.00 0.00 H new ATOM 1136 N ALA A 78 10.648 -13.650 1.451 1.00 0.00 N ATOM 1137 CA ALA A 78 11.129 -14.261 0.218 1.00 0.00 C ATOM 1138 C ALA A 78 12.600 -14.647 0.334 1.00 0.00 C ATOM 1139 O ALA A 78 13.255 -14.943 -0.666 1.00 0.00 O ATOM 1140 CB ALA A 78 10.921 -13.316 -0.956 1.00 0.00 C ATOM 0 H ALA A 78 10.933 -12.679 1.580 1.00 0.00 H new ATOM 0 HA ALA A 78 10.554 -15.171 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.285 -13.786 -1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.859 -13.094 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.470 -12.391 -0.780 1.00 0.00 H new TER 1146 ALA A 78