USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 615 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+ 170:sc= 1.3 (180deg=1.04) USER MOD Single : A 2 THR OG1 : rot -170:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0694 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0.0714 USER MOD Single : A 29 LYS NZ :NH3+ -155:sc= 1.85 (180deg=0.898) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.815 K(o=-0.82,f=-5.6!) USER MOD Single : A 41 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.73) USER MOD Single : A 44 GLN : amide:sc= -0.56 K(o=-0.56,f=-1.6) USER MOD Single : A 49 GLN : amide:sc= 0.654 K(o=0.65,f=-0.15) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.106 F(o=-0.67,f=-0.11) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 5:sc= 0.966 USER MOD Single : A 66 CYS SG : rot 109:sc= -2.25! USER MOD Single : A 70 GLN : amide:sc= -0.26 K(o=-0.26,f=-0.77) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.072 7.865 9.476 1.00 71.41 N ATOM 2 CA MET A 1 -5.483 7.007 8.415 1.00 61.22 C ATOM 3 C MET A 1 -4.814 5.749 9.010 1.00 14.01 C ATOM 4 O MET A 1 -4.225 5.804 10.092 1.00 13.51 O ATOM 5 CB MET A 1 -4.456 7.819 7.575 1.00 24.34 C ATOM 6 CG MET A 1 -5.084 8.836 6.611 1.00 24.20 C ATOM 7 SD MET A 1 -6.155 10.033 7.436 1.00 34.45 S ATOM 8 CE MET A 1 -6.765 10.996 6.049 1.00 41.55 C ATOM 0 H1 MET A 1 -6.361 8.776 9.065 1.00 71.41 H new ATOM 0 H2 MET A 1 -6.902 7.391 9.885 1.00 71.41 H new ATOM 0 H3 MET A 1 -5.365 8.030 10.221 1.00 71.41 H new ATOM 0 HA MET A 1 -6.293 6.676 7.765 1.00 61.22 H new ATOM 0 HB2 MET A 1 -3.786 8.347 8.254 1.00 24.34 H new ATOM 0 HB3 MET A 1 -3.844 7.123 7.001 1.00 24.34 H new ATOM 0 HG2 MET A 1 -4.290 9.369 6.088 1.00 24.20 H new ATOM 0 HG3 MET A 1 -5.661 8.302 5.856 1.00 24.20 H new ATOM 0 HE1 MET A 1 -7.438 11.772 6.413 1.00 41.55 H new ATOM 0 HE2 MET A 1 -5.925 11.458 5.530 1.00 41.55 H new ATOM 0 HE3 MET A 1 -7.302 10.343 5.361 1.00 41.55 H new ATOM 18 N THR A 2 -4.921 4.621 8.280 1.00 50.12 N ATOM 19 CA THR A 2 -4.210 3.362 8.608 1.00 75.55 C ATOM 20 C THR A 2 -2.751 3.476 8.117 1.00 4.43 C ATOM 21 O THR A 2 -2.464 3.261 6.946 1.00 53.42 O ATOM 22 CB THR A 2 -4.941 2.131 7.960 1.00 31.40 C ATOM 23 OG1 THR A 2 -6.291 2.084 8.440 1.00 33.04 O ATOM 24 CG2 THR A 2 -4.255 0.779 8.258 1.00 34.35 C ATOM 0 H THR A 2 -5.503 4.554 7.445 1.00 50.12 H new ATOM 0 HA THR A 2 -4.211 3.204 9.686 1.00 75.55 H new ATOM 0 HB THR A 2 -4.904 2.274 6.880 1.00 31.40 H new ATOM 0 HG1 THR A 2 -6.705 1.238 8.169 1.00 33.04 H new ATOM 0 HG21 THR A 2 -4.814 -0.026 7.780 1.00 34.35 H new ATOM 0 HG22 THR A 2 -3.237 0.794 7.870 1.00 34.35 H new ATOM 0 HG23 THR A 2 -4.230 0.613 9.335 1.00 34.35 H new ATOM 32 N ARG A 3 -1.849 3.876 9.022 1.00 63.04 N ATOM 33 CA ARG A 3 -0.478 4.316 8.673 1.00 74.41 C ATOM 34 C ARG A 3 0.560 3.170 8.756 1.00 13.14 C ATOM 35 O ARG A 3 0.428 2.257 9.574 1.00 2.21 O ATOM 36 CB ARG A 3 -0.077 5.468 9.631 1.00 42.13 C ATOM 37 CG ARG A 3 -0.974 6.721 9.533 1.00 12.45 C ATOM 38 CD ARG A 3 -0.569 7.828 10.524 1.00 45.25 C ATOM 39 NE ARG A 3 0.835 8.253 10.348 1.00 45.50 N ATOM 40 CZ ARG A 3 1.348 9.400 10.733 1.00 35.42 C ATOM 41 NH1 ARG A 3 0.617 10.339 11.251 1.00 3.32 N ATOM 42 NH2 ARG A 3 2.608 9.605 10.581 1.00 32.21 N ATOM 0 H ARG A 3 -2.043 3.906 10.023 1.00 63.04 H new ATOM 0 HA ARG A 3 -0.482 4.653 7.636 1.00 74.41 H new ATOM 0 HB2 ARG A 3 -0.102 5.097 10.656 1.00 42.13 H new ATOM 0 HB3 ARG A 3 0.953 5.756 9.422 1.00 42.13 H new ATOM 0 HG2 ARG A 3 -0.929 7.115 8.518 1.00 12.45 H new ATOM 0 HG3 ARG A 3 -2.009 6.436 9.718 1.00 12.45 H new ATOM 0 HD2 ARG A 3 -1.226 8.688 10.393 1.00 45.25 H new ATOM 0 HD3 ARG A 3 -0.713 7.470 11.543 1.00 45.25 H new ATOM 0 HE ARG A 3 1.464 7.596 9.885 1.00 45.50 H new ATOM 0 HH11 ARG A 3 -0.386 10.198 11.369 1.00 3.32 H new ATOM 0 HH12 ARG A 3 1.046 11.218 11.540 1.00 3.32 H new ATOM 0 HH21 ARG A 3 3.196 8.882 10.166 1.00 32.21 H new ATOM 0 HH22 ARG A 3 3.020 10.491 10.875 1.00 32.21 H new ATOM 56 N VAL A 4 1.598 3.236 7.891 1.00 40.42 N ATOM 57 CA VAL A 4 2.778 2.333 7.937 1.00 64.44 C ATOM 58 C VAL A 4 4.076 3.176 7.876 1.00 14.14 C ATOM 59 O VAL A 4 4.171 4.136 7.116 1.00 20.43 O ATOM 60 CB VAL A 4 2.778 1.269 6.765 1.00 54.13 C ATOM 61 CG1 VAL A 4 4.085 0.421 6.742 1.00 61.31 C ATOM 62 CG2 VAL A 4 1.539 0.339 6.853 1.00 14.45 C ATOM 0 H VAL A 4 1.644 3.920 7.136 1.00 40.42 H new ATOM 0 HA VAL A 4 2.727 1.779 8.874 1.00 64.44 H new ATOM 0 HB VAL A 4 2.730 1.831 5.832 1.00 54.13 H new ATOM 0 HG11 VAL A 4 4.040 -0.295 5.922 1.00 61.31 H new ATOM 0 HG12 VAL A 4 4.943 1.079 6.603 1.00 61.31 H new ATOM 0 HG13 VAL A 4 4.188 -0.115 7.686 1.00 61.31 H new ATOM 0 HG21 VAL A 4 1.566 -0.381 6.035 1.00 14.45 H new ATOM 0 HG22 VAL A 4 1.549 -0.192 7.805 1.00 14.45 H new ATOM 0 HG23 VAL A 4 0.630 0.936 6.781 1.00 14.45 H new ATOM 72 N ARG A 5 5.068 2.797 8.684 1.00 23.01 N ATOM 73 CA ARG A 5 6.368 3.490 8.777 1.00 34.32 C ATOM 74 C ARG A 5 7.495 2.502 8.401 1.00 31.54 C ATOM 75 O ARG A 5 7.659 1.472 9.062 1.00 12.22 O ATOM 76 CB ARG A 5 6.516 4.023 10.224 1.00 13.42 C ATOM 77 CG ARG A 5 7.749 4.916 10.489 1.00 24.05 C ATOM 78 CD ARG A 5 7.638 5.634 11.847 1.00 12.53 C ATOM 79 NE ARG A 5 8.780 6.514 12.121 1.00 55.15 N ATOM 80 CZ ARG A 5 8.810 7.457 13.036 1.00 1.01 C ATOM 81 NH1 ARG A 5 7.776 7.716 13.771 1.00 32.24 N ATOM 82 NH2 ARG A 5 9.886 8.143 13.192 1.00 32.45 N ATOM 0 H ARG A 5 4.997 1.990 9.303 1.00 23.01 H new ATOM 0 HA ARG A 5 6.429 4.331 8.087 1.00 34.32 H new ATOM 0 HB2 ARG A 5 5.620 4.590 10.476 1.00 13.42 H new ATOM 0 HB3 ARG A 5 6.555 3.171 10.903 1.00 13.42 H new ATOM 0 HG2 ARG A 5 8.653 4.307 10.470 1.00 24.05 H new ATOM 0 HG3 ARG A 5 7.845 5.653 9.692 1.00 24.05 H new ATOM 0 HD2 ARG A 5 6.720 6.221 11.868 1.00 12.53 H new ATOM 0 HD3 ARG A 5 7.560 4.891 12.640 1.00 12.53 H new ATOM 0 HE ARG A 5 9.619 6.383 11.555 1.00 55.15 H new ATOM 0 HH11 ARG A 5 6.915 7.183 13.646 1.00 32.24 H new ATOM 0 HH12 ARG A 5 7.822 8.453 14.475 1.00 32.24 H new ATOM 0 HH21 ARG A 5 10.701 7.952 12.610 1.00 32.45 H new ATOM 0 HH22 ARG A 5 9.924 8.878 13.898 1.00 32.45 H new ATOM 96 N SER A 6 8.261 2.810 7.338 1.00 3.32 N ATOM 97 CA SER A 6 9.245 1.861 6.750 1.00 53.13 C ATOM 98 C SER A 6 10.620 2.513 6.501 1.00 4.54 C ATOM 99 O SER A 6 10.763 3.741 6.471 1.00 52.50 O ATOM 100 CB SER A 6 8.686 1.292 5.419 1.00 3.22 C ATOM 101 OG SER A 6 9.557 0.326 4.842 1.00 34.23 O ATOM 0 H SER A 6 8.222 3.711 6.862 1.00 3.32 H new ATOM 0 HA SER A 6 9.395 1.058 7.472 1.00 53.13 H new ATOM 0 HB2 SER A 6 7.712 0.838 5.600 1.00 3.22 H new ATOM 0 HB3 SER A 6 8.532 2.108 4.713 1.00 3.22 H new ATOM 0 HG SER A 6 9.168 -0.008 4.007 1.00 34.23 H new ATOM 107 N THR A 7 11.631 1.652 6.313 1.00 14.24 N ATOM 108 CA THR A 7 13.013 2.059 5.988 1.00 44.50 C ATOM 109 C THR A 7 13.296 1.919 4.471 1.00 24.03 C ATOM 110 O THR A 7 12.638 1.125 3.786 1.00 5.20 O ATOM 111 CB THR A 7 14.052 1.212 6.801 1.00 72.15 C ATOM 112 OG1 THR A 7 13.823 -0.196 6.615 1.00 53.11 O ATOM 113 CG2 THR A 7 13.999 1.564 8.289 1.00 63.34 C ATOM 0 H THR A 7 11.514 0.641 6.382 1.00 14.24 H new ATOM 0 HA THR A 7 13.118 3.108 6.266 1.00 44.50 H new ATOM 0 HB THR A 7 15.046 1.454 6.424 1.00 72.15 H new ATOM 0 HG1 THR A 7 14.483 -0.706 7.130 1.00 53.11 H new ATOM 0 HG21 THR A 7 14.729 0.963 8.831 1.00 63.34 H new ATOM 0 HG22 THR A 7 14.229 2.621 8.421 1.00 63.34 H new ATOM 0 HG23 THR A 7 13.001 1.359 8.676 1.00 63.34 H new ATOM 121 N PRO A 8 14.290 2.691 3.924 1.00 4.11 N ATOM 122 CA PRO A 8 14.654 2.657 2.486 1.00 14.44 C ATOM 123 C PRO A 8 15.607 1.479 2.119 1.00 42.00 C ATOM 124 O PRO A 8 16.553 1.648 1.344 1.00 70.30 O ATOM 125 CB PRO A 8 15.312 4.045 2.321 1.00 42.34 C ATOM 126 CG PRO A 8 16.061 4.235 3.594 1.00 52.23 C ATOM 127 CD PRO A 8 15.146 3.675 4.658 1.00 41.32 C ATOM 0 HA PRO A 8 13.811 2.480 1.818 1.00 14.44 H new ATOM 0 HB2 PRO A 8 15.977 4.073 1.458 1.00 42.34 H new ATOM 0 HB3 PRO A 8 14.566 4.827 2.175 1.00 42.34 H new ATOM 0 HG2 PRO A 8 17.016 3.710 3.575 1.00 52.23 H new ATOM 0 HG3 PRO A 8 16.280 5.288 3.773 1.00 52.23 H new ATOM 0 HD2 PRO A 8 15.711 3.194 5.456 1.00 41.32 H new ATOM 0 HD3 PRO A 8 14.546 4.459 5.120 1.00 41.32 H new ATOM 135 N GLY A 9 15.272 0.263 2.606 1.00 14.21 N ATOM 136 CA GLY A 9 16.158 -0.914 2.493 1.00 63.50 C ATOM 137 C GLY A 9 15.397 -2.244 2.513 1.00 60.40 C ATOM 138 O GLY A 9 15.786 -3.192 3.208 1.00 2.30 O ATOM 0 H GLY A 9 14.391 0.072 3.083 1.00 14.21 H new ATOM 0 HA2 GLY A 9 16.730 -0.843 1.568 1.00 63.50 H new ATOM 0 HA3 GLY A 9 16.876 -0.901 3.313 1.00 63.50 H new ATOM 142 N GLY A 10 14.306 -2.306 1.736 1.00 72.52 N ATOM 143 CA GLY A 10 13.462 -3.512 1.628 1.00 13.52 C ATOM 144 C GLY A 10 12.148 -3.233 0.904 1.00 71.14 C ATOM 145 O GLY A 10 11.858 -2.081 0.595 1.00 61.44 O ATOM 0 H GLY A 10 13.982 -1.526 1.165 1.00 72.52 H new ATOM 0 HA2 GLY A 10 14.010 -4.290 1.096 1.00 13.52 H new ATOM 0 HA3 GLY A 10 13.251 -3.896 2.626 1.00 13.52 H new ATOM 149 N ASP A 11 11.357 -4.289 0.616 1.00 53.14 N ATOM 150 CA ASP A 11 10.046 -4.141 -0.060 1.00 3.01 C ATOM 151 C ASP A 11 8.976 -3.579 0.912 1.00 33.20 C ATOM 152 O ASP A 11 8.888 -4.010 2.068 1.00 12.12 O ATOM 153 CB ASP A 11 9.589 -5.489 -0.685 1.00 73.53 C ATOM 154 CG ASP A 11 9.351 -6.614 0.334 1.00 33.25 C ATOM 155 OD1 ASP A 11 10.338 -7.163 0.866 1.00 45.11 O ATOM 156 OD2 ASP A 11 8.183 -6.955 0.606 1.00 12.45 O ATOM 0 H ASP A 11 11.602 -5.254 0.840 1.00 53.14 H new ATOM 0 HA ASP A 11 10.164 -3.421 -0.870 1.00 3.01 H new ATOM 0 HB2 ASP A 11 8.669 -5.322 -1.245 1.00 73.53 H new ATOM 0 HB3 ASP A 11 10.343 -5.817 -1.401 1.00 73.53 H new ATOM 161 N LEU A 12 8.183 -2.602 0.437 1.00 12.43 N ATOM 162 CA LEU A 12 7.117 -1.979 1.240 1.00 41.25 C ATOM 163 C LEU A 12 5.870 -2.880 1.290 1.00 44.33 C ATOM 164 O LEU A 12 5.144 -2.984 0.299 1.00 33.10 O ATOM 165 CB LEU A 12 6.748 -0.596 0.655 1.00 24.25 C ATOM 166 CG LEU A 12 5.679 0.208 1.447 1.00 23.05 C ATOM 167 CD1 LEU A 12 6.130 0.458 2.904 1.00 24.02 C ATOM 168 CD2 LEU A 12 5.348 1.528 0.733 1.00 14.45 C ATOM 0 H LEU A 12 8.262 -2.225 -0.507 1.00 12.43 H new ATOM 0 HA LEU A 12 7.488 -1.849 2.257 1.00 41.25 H new ATOM 0 HB2 LEU A 12 7.655 0.005 0.592 1.00 24.25 H new ATOM 0 HB3 LEU A 12 6.388 -0.737 -0.364 1.00 24.25 H new ATOM 0 HG LEU A 12 4.769 -0.391 1.484 1.00 23.05 H new ATOM 0 HD11 LEU A 12 5.361 1.022 3.431 1.00 24.02 H new ATOM 0 HD12 LEU A 12 6.287 -0.497 3.405 1.00 24.02 H new ATOM 0 HD13 LEU A 12 7.061 1.025 2.905 1.00 24.02 H new ATOM 0 HD21 LEU A 12 4.598 2.073 1.306 1.00 14.45 H new ATOM 0 HD22 LEU A 12 6.251 2.133 0.649 1.00 14.45 H new ATOM 0 HD23 LEU A 12 4.960 1.315 -0.263 1.00 14.45 H new ATOM 180 N GLU A 13 5.618 -3.505 2.454 1.00 43.05 N ATOM 181 CA GLU A 13 4.506 -4.456 2.628 1.00 74.41 C ATOM 182 C GLU A 13 3.434 -3.856 3.561 1.00 72.12 C ATOM 183 O GLU A 13 3.637 -3.768 4.770 1.00 42.32 O ATOM 184 CB GLU A 13 5.018 -5.819 3.166 1.00 1.34 C ATOM 185 CG GLU A 13 3.913 -6.888 3.294 1.00 71.53 C ATOM 186 CD GLU A 13 4.431 -8.237 3.808 1.00 34.22 C ATOM 187 OE1 GLU A 13 5.026 -8.988 3.012 1.00 64.55 O ATOM 188 OE2 GLU A 13 4.265 -8.542 5.014 1.00 63.12 O ATOM 0 H GLU A 13 6.176 -3.366 3.296 1.00 43.05 H new ATOM 0 HA GLU A 13 4.051 -4.639 1.655 1.00 74.41 H new ATOM 0 HB2 GLU A 13 5.798 -6.192 2.502 1.00 1.34 H new ATOM 0 HB3 GLU A 13 5.478 -5.665 4.142 1.00 1.34 H new ATOM 0 HG2 GLU A 13 3.140 -6.522 3.970 1.00 71.53 H new ATOM 0 HG3 GLU A 13 3.444 -7.034 2.321 1.00 71.53 H new ATOM 195 N LEU A 14 2.309 -3.410 2.972 1.00 20.24 N ATOM 196 CA LEU A 14 1.175 -2.815 3.705 1.00 11.34 C ATOM 197 C LEU A 14 0.113 -3.891 4.019 1.00 4.53 C ATOM 198 O LEU A 14 -0.602 -4.348 3.122 1.00 43.45 O ATOM 199 CB LEU A 14 0.546 -1.669 2.869 1.00 65.13 C ATOM 200 CG LEU A 14 1.538 -0.606 2.303 1.00 33.33 C ATOM 201 CD1 LEU A 14 0.790 0.538 1.608 1.00 32.14 C ATOM 202 CD2 LEU A 14 2.479 -0.055 3.382 1.00 75.11 C ATOM 0 H LEU A 14 2.160 -3.453 1.964 1.00 20.24 H new ATOM 0 HA LEU A 14 1.542 -2.406 4.646 1.00 11.34 H new ATOM 0 HB2 LEU A 14 0.004 -2.112 2.033 1.00 65.13 H new ATOM 0 HB3 LEU A 14 -0.189 -1.156 3.489 1.00 65.13 H new ATOM 0 HG LEU A 14 2.154 -1.118 1.563 1.00 33.33 H new ATOM 0 HD11 LEU A 14 1.508 1.262 1.224 1.00 32.14 H new ATOM 0 HD12 LEU A 14 0.201 0.139 0.782 1.00 32.14 H new ATOM 0 HD13 LEU A 14 0.128 1.027 2.323 1.00 32.14 H new ATOM 0 HD21 LEU A 14 3.150 0.681 2.939 1.00 75.11 H new ATOM 0 HD22 LEU A 14 1.892 0.417 4.170 1.00 75.11 H new ATOM 0 HD23 LEU A 14 3.065 -0.871 3.805 1.00 75.11 H new ATOM 214 N VAL A 15 0.044 -4.303 5.293 1.00 15.11 N ATOM 215 CA VAL A 15 -0.933 -5.300 5.778 1.00 45.42 C ATOM 216 C VAL A 15 -2.187 -4.584 6.338 1.00 33.44 C ATOM 217 O VAL A 15 -2.116 -3.879 7.354 1.00 12.30 O ATOM 218 CB VAL A 15 -0.283 -6.224 6.874 1.00 61.15 C ATOM 219 CG1 VAL A 15 -1.310 -7.225 7.471 1.00 42.21 C ATOM 220 CG2 VAL A 15 0.955 -6.965 6.297 1.00 64.42 C ATOM 0 H VAL A 15 0.666 -3.955 6.023 1.00 15.11 H new ATOM 0 HA VAL A 15 -1.236 -5.930 4.942 1.00 45.42 H new ATOM 0 HB VAL A 15 0.049 -5.585 7.692 1.00 61.15 H new ATOM 0 HG11 VAL A 15 -0.820 -7.843 8.223 1.00 42.21 H new ATOM 0 HG12 VAL A 15 -2.130 -6.674 7.932 1.00 42.21 H new ATOM 0 HG13 VAL A 15 -1.702 -7.861 6.677 1.00 42.21 H new ATOM 0 HG21 VAL A 15 1.392 -7.599 7.069 1.00 64.42 H new ATOM 0 HG22 VAL A 15 0.649 -7.581 5.451 1.00 64.42 H new ATOM 0 HG23 VAL A 15 1.694 -6.235 5.966 1.00 64.42 H new ATOM 230 N VAL A 16 -3.329 -4.764 5.651 1.00 54.44 N ATOM 231 CA VAL A 16 -4.613 -4.106 6.001 1.00 51.32 C ATOM 232 C VAL A 16 -5.527 -5.076 6.775 1.00 11.21 C ATOM 233 O VAL A 16 -5.460 -6.288 6.585 1.00 71.21 O ATOM 234 CB VAL A 16 -5.400 -3.588 4.730 1.00 51.35 C ATOM 235 CG1 VAL A 16 -6.378 -2.447 5.091 1.00 62.24 C ATOM 236 CG2 VAL A 16 -4.445 -3.151 3.615 1.00 62.41 C ATOM 0 H VAL A 16 -3.394 -5.371 4.834 1.00 54.44 H new ATOM 0 HA VAL A 16 -4.353 -3.247 6.620 1.00 51.32 H new ATOM 0 HB VAL A 16 -5.988 -4.427 4.358 1.00 51.35 H new ATOM 0 HG11 VAL A 16 -6.900 -2.117 4.193 1.00 62.24 H new ATOM 0 HG12 VAL A 16 -7.103 -2.807 5.821 1.00 62.24 H new ATOM 0 HG13 VAL A 16 -5.821 -1.611 5.514 1.00 62.24 H new ATOM 0 HG21 VAL A 16 -5.021 -2.801 2.758 1.00 62.41 H new ATOM 0 HG22 VAL A 16 -3.808 -2.344 3.977 1.00 62.41 H new ATOM 0 HG23 VAL A 16 -3.825 -3.996 3.315 1.00 62.41 H new ATOM 246 N HIS A 17 -6.366 -4.528 7.663 1.00 14.34 N ATOM 247 CA HIS A 17 -7.384 -5.305 8.407 1.00 43.42 C ATOM 248 C HIS A 17 -8.820 -4.919 7.960 1.00 4.44 C ATOM 249 O HIS A 17 -9.789 -5.242 8.652 1.00 42.21 O ATOM 250 CB HIS A 17 -7.183 -5.089 9.930 1.00 20.02 C ATOM 251 CG HIS A 17 -5.783 -5.396 10.400 1.00 25.51 C ATOM 252 ND1 HIS A 17 -5.330 -6.676 10.612 1.00 51.35 N ATOM 253 CD2 HIS A 17 -4.720 -4.591 10.635 1.00 1.34 C ATOM 254 CE1 HIS A 17 -4.061 -6.651 10.949 1.00 1.33 C ATOM 255 NE2 HIS A 17 -3.664 -5.400 10.971 1.00 42.41 N ATOM 0 H HIS A 17 -6.364 -3.534 7.891 1.00 14.34 H new ATOM 0 HA HIS A 17 -7.259 -6.365 8.185 1.00 43.42 H new ATOM 0 HB2 HIS A 17 -7.422 -4.055 10.177 1.00 20.02 H new ATOM 0 HB3 HIS A 17 -7.887 -5.718 10.475 1.00 20.02 H new ATOM 0 HD2 HIS A 17 -4.706 -3.513 10.570 1.00 1.34 H new ATOM 0 HE1 HIS A 17 -3.449 -7.513 11.170 1.00 1.33 H new ATOM 0 HE2 HIS A 17 -2.723 -5.081 11.201 1.00 42.41 H new ATOM 264 N LEU A 18 -8.940 -4.218 6.796 1.00 1.11 N ATOM 265 CA LEU A 18 -10.253 -3.869 6.175 1.00 41.51 C ATOM 266 C LEU A 18 -11.143 -5.118 5.959 1.00 44.32 C ATOM 267 O LEU A 18 -11.001 -5.823 4.956 1.00 72.11 O ATOM 268 CB LEU A 18 -10.067 -3.110 4.813 1.00 52.23 C ATOM 269 CG LEU A 18 -9.865 -1.562 4.878 1.00 71.21 C ATOM 270 CD1 LEU A 18 -9.729 -0.976 3.451 1.00 64.11 C ATOM 271 CD2 LEU A 18 -11.012 -0.876 5.654 1.00 51.23 C ATOM 0 H LEU A 18 -8.137 -3.881 6.265 1.00 1.11 H new ATOM 0 HA LEU A 18 -10.756 -3.206 6.879 1.00 41.51 H new ATOM 0 HB2 LEU A 18 -9.207 -3.541 4.301 1.00 52.23 H new ATOM 0 HB3 LEU A 18 -10.941 -3.311 4.193 1.00 52.23 H new ATOM 0 HG LEU A 18 -8.941 -1.363 5.421 1.00 71.21 H new ATOM 0 HD11 LEU A 18 -9.589 0.103 3.513 1.00 64.11 H new ATOM 0 HD12 LEU A 18 -8.870 -1.426 2.953 1.00 64.11 H new ATOM 0 HD13 LEU A 18 -10.633 -1.193 2.881 1.00 64.11 H new ATOM 0 HD21 LEU A 18 -10.841 0.200 5.681 1.00 51.23 H new ATOM 0 HD22 LEU A 18 -11.960 -1.080 5.157 1.00 51.23 H new ATOM 0 HD23 LEU A 18 -11.045 -1.263 6.672 1.00 51.23 H new ATOM 283 N SER A 19 -12.040 -5.378 6.931 1.00 21.20 N ATOM 284 CA SER A 19 -13.040 -6.463 6.853 1.00 14.24 C ATOM 285 C SER A 19 -14.092 -6.149 5.758 1.00 54.51 C ATOM 286 O SER A 19 -15.171 -5.606 6.033 1.00 22.40 O ATOM 287 CB SER A 19 -13.714 -6.684 8.233 1.00 31.10 C ATOM 288 OG SER A 19 -14.669 -7.735 8.191 1.00 62.21 O ATOM 0 H SER A 19 -12.092 -4.840 7.796 1.00 21.20 H new ATOM 0 HA SER A 19 -12.532 -7.388 6.578 1.00 14.24 H new ATOM 0 HB2 SER A 19 -12.952 -6.915 8.977 1.00 31.10 H new ATOM 0 HB3 SER A 19 -14.201 -5.762 8.551 1.00 31.10 H new ATOM 0 HG SER A 19 -15.072 -7.847 9.077 1.00 62.21 H new ATOM 294 N GLY A 20 -13.717 -6.443 4.499 1.00 73.24 N ATOM 295 CA GLY A 20 -14.545 -6.142 3.328 1.00 30.21 C ATOM 296 C GLY A 20 -15.498 -7.282 2.951 1.00 55.11 C ATOM 297 O GLY A 20 -15.291 -8.422 3.379 1.00 72.22 O ATOM 0 H GLY A 20 -12.832 -6.895 4.271 1.00 73.24 H new ATOM 0 HA2 GLY A 20 -15.127 -5.241 3.525 1.00 30.21 H new ATOM 0 HA3 GLY A 20 -13.897 -5.924 2.479 1.00 30.21 H new ATOM 301 N PRO A 21 -16.545 -7.023 2.099 1.00 34.41 N ATOM 302 CA PRO A 21 -17.535 -8.059 1.681 1.00 10.52 C ATOM 303 C PRO A 21 -16.999 -9.049 0.590 1.00 10.24 C ATOM 304 O PRO A 21 -17.791 -9.675 -0.121 1.00 74.22 O ATOM 305 CB PRO A 21 -18.737 -7.205 1.146 1.00 64.40 C ATOM 306 CG PRO A 21 -18.390 -5.768 1.446 1.00 2.53 C ATOM 307 CD PRO A 21 -16.882 -5.711 1.497 1.00 1.51 C ATOM 0 HA PRO A 21 -17.796 -8.721 2.507 1.00 10.52 H new ATOM 0 HB2 PRO A 21 -18.878 -7.357 0.076 1.00 64.40 H new ATOM 0 HB3 PRO A 21 -19.668 -7.492 1.635 1.00 64.40 H new ATOM 0 HG2 PRO A 21 -18.781 -5.102 0.676 1.00 2.53 H new ATOM 0 HG3 PRO A 21 -18.826 -5.450 2.393 1.00 2.53 H new ATOM 0 HD2 PRO A 21 -16.444 -5.592 0.506 1.00 1.51 H new ATOM 0 HD3 PRO A 21 -16.525 -4.879 2.105 1.00 1.51 H new ATOM 315 N GLY A 22 -15.659 -9.211 0.499 1.00 4.42 N ATOM 316 CA GLY A 22 -15.024 -10.033 -0.542 1.00 3.24 C ATOM 317 C GLY A 22 -15.073 -9.371 -1.923 1.00 3.40 C ATOM 318 O GLY A 22 -15.653 -9.919 -2.863 1.00 25.15 O ATOM 0 H GLY A 22 -14.997 -8.777 1.142 1.00 4.42 H new ATOM 0 HA2 GLY A 22 -13.986 -10.221 -0.269 1.00 3.24 H new ATOM 0 HA3 GLY A 22 -15.521 -11.002 -0.589 1.00 3.24 H new ATOM 322 N GLY A 23 -14.466 -8.169 -2.021 1.00 61.22 N ATOM 323 CA GLY A 23 -14.495 -7.355 -3.249 1.00 42.41 C ATOM 324 C GLY A 23 -13.677 -7.943 -4.428 1.00 73.10 C ATOM 325 O GLY A 23 -14.266 -8.370 -5.427 1.00 3.43 O ATOM 0 H GLY A 23 -13.946 -7.740 -1.255 1.00 61.22 H new ATOM 0 HA2 GLY A 23 -15.531 -7.235 -3.566 1.00 42.41 H new ATOM 0 HA3 GLY A 23 -14.114 -6.360 -3.020 1.00 42.41 H new ATOM 329 N PRO A 24 -12.299 -7.974 -4.369 1.00 14.21 N ATOM 330 CA PRO A 24 -11.477 -7.480 -3.223 1.00 11.10 C ATOM 331 C PRO A 24 -11.294 -5.933 -3.210 1.00 1.50 C ATOM 332 O PRO A 24 -11.996 -5.197 -3.913 1.00 64.13 O ATOM 333 CB PRO A 24 -10.130 -8.213 -3.458 1.00 21.13 C ATOM 334 CG PRO A 24 -10.021 -8.270 -4.953 1.00 65.42 C ATOM 335 CD PRO A 24 -11.434 -8.519 -5.454 1.00 63.44 C ATOM 0 HA PRO A 24 -11.940 -7.682 -2.257 1.00 11.10 H new ATOM 0 HB2 PRO A 24 -9.295 -7.671 -3.015 1.00 21.13 H new ATOM 0 HB3 PRO A 24 -10.133 -9.210 -3.017 1.00 21.13 H new ATOM 0 HG2 PRO A 24 -9.621 -7.338 -5.353 1.00 65.42 H new ATOM 0 HG3 PRO A 24 -9.347 -9.067 -5.267 1.00 65.42 H new ATOM 0 HD2 PRO A 24 -11.617 -8.014 -6.403 1.00 63.44 H new ATOM 0 HD3 PRO A 24 -11.619 -9.581 -5.617 1.00 63.44 H new ATOM 343 N VAL A 25 -10.363 -5.463 -2.373 1.00 3.31 N ATOM 344 CA VAL A 25 -10.034 -4.029 -2.234 1.00 33.41 C ATOM 345 C VAL A 25 -8.944 -3.617 -3.270 1.00 42.31 C ATOM 346 O VAL A 25 -8.058 -4.416 -3.596 1.00 54.21 O ATOM 347 CB VAL A 25 -9.559 -3.734 -0.763 1.00 11.20 C ATOM 348 CG1 VAL A 25 -9.169 -2.256 -0.558 1.00 1.02 C ATOM 349 CG2 VAL A 25 -10.645 -4.163 0.260 1.00 52.53 C ATOM 0 H VAL A 25 -9.809 -6.067 -1.766 1.00 3.31 H new ATOM 0 HA VAL A 25 -10.925 -3.435 -2.436 1.00 33.41 H new ATOM 0 HB VAL A 25 -8.661 -4.327 -0.592 1.00 11.20 H new ATOM 0 HG11 VAL A 25 -8.849 -2.104 0.473 1.00 1.02 H new ATOM 0 HG12 VAL A 25 -8.353 -1.998 -1.233 1.00 1.02 H new ATOM 0 HG13 VAL A 25 -10.029 -1.620 -0.768 1.00 1.02 H new ATOM 0 HG21 VAL A 25 -10.297 -3.951 1.271 1.00 52.53 H new ATOM 0 HG22 VAL A 25 -11.564 -3.609 0.069 1.00 52.53 H new ATOM 0 HG23 VAL A 25 -10.838 -5.231 0.160 1.00 52.53 H new ATOM 359 N ARG A 26 -9.017 -2.368 -3.773 1.00 22.15 N ATOM 360 CA ARG A 26 -8.041 -1.821 -4.748 1.00 22.11 C ATOM 361 C ARG A 26 -6.948 -1.000 -4.024 1.00 5.35 C ATOM 362 O ARG A 26 -7.053 -0.719 -2.839 1.00 23.35 O ATOM 363 CB ARG A 26 -8.756 -0.904 -5.785 1.00 34.44 C ATOM 364 CG ARG A 26 -9.781 -1.602 -6.712 1.00 35.42 C ATOM 365 CD ARG A 26 -10.379 -0.620 -7.749 1.00 11.00 C ATOM 366 NE ARG A 26 -11.279 -1.288 -8.704 1.00 75.21 N ATOM 367 CZ ARG A 26 -11.737 -0.761 -9.823 1.00 3.11 C ATOM 368 NH1 ARG A 26 -11.397 0.436 -10.202 1.00 4.33 N ATOM 369 NH2 ARG A 26 -12.528 -1.460 -10.568 1.00 14.20 N ATOM 0 H ARG A 26 -9.752 -1.708 -3.518 1.00 22.15 H new ATOM 0 HA ARG A 26 -7.581 -2.664 -5.264 1.00 22.11 H new ATOM 0 HB2 ARG A 26 -9.268 -0.107 -5.245 1.00 34.44 H new ATOM 0 HB3 ARG A 26 -7.996 -0.431 -6.407 1.00 34.44 H new ATOM 0 HG2 ARG A 26 -9.297 -2.429 -7.231 1.00 35.42 H new ATOM 0 HG3 ARG A 26 -10.584 -2.029 -6.111 1.00 35.42 H new ATOM 0 HD2 ARG A 26 -10.926 0.165 -7.228 1.00 11.00 H new ATOM 0 HD3 ARG A 26 -9.569 -0.136 -8.295 1.00 11.00 H new ATOM 0 HE ARG A 26 -11.573 -2.239 -8.481 1.00 75.21 H new ATOM 0 HH11 ARG A 26 -10.761 0.991 -9.629 1.00 4.33 H new ATOM 0 HH12 ARG A 26 -11.766 0.819 -11.072 1.00 4.33 H new ATOM 0 HH21 ARG A 26 -12.790 -2.405 -10.288 1.00 14.20 H new ATOM 0 HH22 ARG A 26 -12.891 -1.067 -11.436 1.00 14.20 H new ATOM 383 N TRP A 27 -5.894 -0.634 -4.767 1.00 53.02 N ATOM 384 CA TRP A 27 -4.773 0.200 -4.259 1.00 3.11 C ATOM 385 C TRP A 27 -4.482 1.349 -5.237 1.00 50.42 C ATOM 386 O TRP A 27 -4.488 1.126 -6.438 1.00 22.14 O ATOM 387 CB TRP A 27 -3.499 -0.661 -4.087 1.00 62.22 C ATOM 388 CG TRP A 27 -3.561 -1.638 -2.942 1.00 23.21 C ATOM 389 CD1 TRP A 27 -3.931 -2.955 -2.977 1.00 33.34 C ATOM 390 CD2 TRP A 27 -3.241 -1.345 -1.581 1.00 2.41 C ATOM 391 NE1 TRP A 27 -3.825 -3.501 -1.724 1.00 31.25 N ATOM 392 CE2 TRP A 27 -3.407 -2.531 -0.851 1.00 61.54 C ATOM 393 CE3 TRP A 27 -2.808 -0.191 -0.918 1.00 21.15 C ATOM 394 CZ2 TRP A 27 -3.153 -2.597 0.510 1.00 45.32 C ATOM 395 CZ3 TRP A 27 -2.568 -0.256 0.437 1.00 74.14 C ATOM 396 CH2 TRP A 27 -2.738 -1.451 1.140 1.00 55.42 C ATOM 0 H TRP A 27 -5.786 -0.905 -5.744 1.00 53.02 H new ATOM 0 HA TRP A 27 -5.062 0.612 -3.292 1.00 3.11 H new ATOM 0 HB2 TRP A 27 -3.320 -1.212 -5.010 1.00 62.22 H new ATOM 0 HB3 TRP A 27 -2.645 0.000 -3.939 1.00 62.22 H new ATOM 0 HD1 TRP A 27 -4.258 -3.485 -3.860 1.00 33.34 H new ATOM 0 HE1 TRP A 27 -4.025 -4.471 -1.481 1.00 31.25 H new ATOM 0 HE3 TRP A 27 -2.665 0.733 -1.458 1.00 21.15 H new ATOM 0 HZ2 TRP A 27 -3.278 -3.520 1.057 1.00 45.32 H new ATOM 0 HZ3 TRP A 27 -2.244 0.630 0.963 1.00 74.14 H new ATOM 0 HH2 TRP A 27 -2.539 -1.473 2.201 1.00 55.42 H new ATOM 407 N TYR A 28 -4.254 2.579 -4.721 1.00 22.32 N ATOM 408 CA TYR A 28 -3.846 3.752 -5.557 1.00 24.53 C ATOM 409 C TYR A 28 -2.676 4.519 -4.886 1.00 42.52 C ATOM 410 O TYR A 28 -2.805 4.982 -3.765 1.00 10.20 O ATOM 411 CB TYR A 28 -5.050 4.728 -5.779 1.00 40.04 C ATOM 412 CG TYR A 28 -6.236 4.151 -6.589 1.00 61.21 C ATOM 413 CD1 TYR A 28 -7.159 3.276 -6.007 1.00 11.03 C ATOM 414 CD2 TYR A 28 -6.440 4.497 -7.930 1.00 24.55 C ATOM 415 CE1 TYR A 28 -8.216 2.760 -6.734 1.00 74.34 C ATOM 416 CE2 TYR A 28 -7.503 3.985 -8.653 1.00 53.23 C ATOM 417 CZ TYR A 28 -8.387 3.122 -8.048 1.00 54.34 C ATOM 418 OH TYR A 28 -9.449 2.606 -8.766 1.00 10.11 O ATOM 0 H TYR A 28 -4.344 2.794 -3.728 1.00 22.32 H new ATOM 0 HA TYR A 28 -3.519 3.371 -6.524 1.00 24.53 H new ATOM 0 HB2 TYR A 28 -5.420 5.048 -4.805 1.00 40.04 H new ATOM 0 HB3 TYR A 28 -4.684 5.619 -6.289 1.00 40.04 H new ATOM 0 HD1 TYR A 28 -7.044 2.998 -4.970 1.00 11.03 H new ATOM 0 HD2 TYR A 28 -5.753 5.178 -8.411 1.00 24.55 H new ATOM 0 HE1 TYR A 28 -8.907 2.073 -6.269 1.00 74.34 H new ATOM 0 HE2 TYR A 28 -7.638 4.262 -9.688 1.00 53.23 H new ATOM 0 HH TYR A 28 -9.430 2.961 -9.679 1.00 10.11 H new ATOM 428 N LYS A 29 -1.552 4.685 -5.602 1.00 35.31 N ATOM 429 CA LYS A 29 -0.380 5.467 -5.117 1.00 62.44 C ATOM 430 C LYS A 29 -0.149 6.656 -6.058 1.00 51.34 C ATOM 431 O LYS A 29 -0.177 6.483 -7.278 1.00 53.21 O ATOM 432 CB LYS A 29 0.896 4.572 -5.024 1.00 23.23 C ATOM 433 CG LYS A 29 2.238 5.321 -4.780 1.00 73.13 C ATOM 434 CD LYS A 29 2.290 6.094 -3.432 1.00 3.44 C ATOM 435 CE LYS A 29 3.731 6.455 -3.002 1.00 10.25 C ATOM 436 NZ LYS A 29 4.431 7.339 -3.962 1.00 2.02 N ATOM 0 H LYS A 29 -1.420 4.286 -6.532 1.00 35.31 H new ATOM 0 HA LYS A 29 -0.587 5.836 -4.112 1.00 62.44 H new ATOM 0 HB2 LYS A 29 0.753 3.852 -4.218 1.00 23.23 H new ATOM 0 HB3 LYS A 29 0.984 4.002 -5.949 1.00 23.23 H new ATOM 0 HG2 LYS A 29 3.055 4.600 -4.806 1.00 73.13 H new ATOM 0 HG3 LYS A 29 2.405 6.023 -5.597 1.00 73.13 H new ATOM 0 HD2 LYS A 29 1.702 7.008 -3.520 1.00 3.44 H new ATOM 0 HD3 LYS A 29 1.824 5.489 -2.654 1.00 3.44 H new ATOM 0 HE2 LYS A 29 3.699 6.943 -2.028 1.00 10.25 H new ATOM 0 HE3 LYS A 29 4.306 5.537 -2.880 1.00 10.25 H new ATOM 0 HZ1 LYS A 29 5.459 7.209 -3.868 1.00 2.02 H new ATOM 0 HZ2 LYS A 29 4.139 7.100 -4.931 1.00 2.02 H new ATOM 0 HZ3 LYS A 29 4.188 8.330 -3.762 1.00 2.02 H new ATOM 450 N ASP A 30 0.063 7.854 -5.474 1.00 11.20 N ATOM 451 CA ASP A 30 0.254 9.118 -6.228 1.00 71.44 C ATOM 452 C ASP A 30 -0.995 9.475 -7.093 1.00 43.41 C ATOM 453 O ASP A 30 -0.902 10.261 -8.043 1.00 50.31 O ATOM 454 CB ASP A 30 1.554 9.058 -7.084 1.00 64.43 C ATOM 455 CG ASP A 30 2.818 8.811 -6.252 1.00 12.45 C ATOM 456 OD1 ASP A 30 3.023 9.514 -5.237 1.00 74.21 O ATOM 457 OD2 ASP A 30 3.626 7.920 -6.607 1.00 71.44 O ATOM 0 H ASP A 30 0.107 7.976 -4.462 1.00 11.20 H new ATOM 0 HA ASP A 30 0.369 9.923 -5.503 1.00 71.44 H new ATOM 0 HB2 ASP A 30 1.456 8.266 -7.826 1.00 64.43 H new ATOM 0 HB3 ASP A 30 1.664 9.995 -7.630 1.00 64.43 H new ATOM 462 N GLY A 31 -2.168 8.924 -6.710 1.00 23.51 N ATOM 463 CA GLY A 31 -3.410 9.095 -7.473 1.00 14.43 C ATOM 464 C GLY A 31 -3.601 8.073 -8.608 1.00 53.24 C ATOM 465 O GLY A 31 -4.560 8.180 -9.377 1.00 44.34 O ATOM 0 H GLY A 31 -2.274 8.355 -5.870 1.00 23.51 H new ATOM 0 HA2 GLY A 31 -4.256 9.023 -6.789 1.00 14.43 H new ATOM 0 HA3 GLY A 31 -3.427 10.099 -7.897 1.00 14.43 H new ATOM 469 N GLU A 32 -2.697 7.073 -8.718 1.00 5.40 N ATOM 470 CA GLU A 32 -2.779 6.038 -9.780 1.00 23.42 C ATOM 471 C GLU A 32 -2.648 4.608 -9.217 1.00 21.43 C ATOM 472 O GLU A 32 -1.752 4.310 -8.439 1.00 60.33 O ATOM 473 CB GLU A 32 -1.729 6.289 -10.894 1.00 33.23 C ATOM 474 CG GLU A 32 -1.828 5.289 -12.079 1.00 42.33 C ATOM 475 CD GLU A 32 -1.220 5.813 -13.386 1.00 23.10 C ATOM 476 OE1 GLU A 32 0.009 5.728 -13.567 1.00 72.40 O ATOM 477 OE2 GLU A 32 -1.977 6.334 -14.235 1.00 41.44 O ATOM 0 H GLU A 32 -1.904 6.959 -8.087 1.00 5.40 H new ATOM 0 HA GLU A 32 -3.773 6.121 -10.220 1.00 23.42 H new ATOM 0 HB2 GLU A 32 -1.851 7.303 -11.274 1.00 33.23 H new ATOM 0 HB3 GLU A 32 -0.731 6.228 -10.461 1.00 33.23 H new ATOM 0 HG2 GLU A 32 -1.326 4.362 -11.802 1.00 42.33 H new ATOM 0 HG3 GLU A 32 -2.877 5.045 -12.249 1.00 42.33 H new ATOM 484 N ARG A 33 -3.549 3.731 -9.686 1.00 14.43 N ATOM 485 CA ARG A 33 -3.730 2.357 -9.171 1.00 24.31 C ATOM 486 C ARG A 33 -2.498 1.422 -9.343 1.00 21.15 C ATOM 487 O ARG A 33 -1.708 1.560 -10.280 1.00 42.31 O ATOM 488 CB ARG A 33 -4.985 1.691 -9.812 1.00 5.22 C ATOM 489 CG ARG A 33 -4.866 1.328 -11.317 1.00 11.43 C ATOM 490 CD ARG A 33 -4.943 2.555 -12.250 1.00 55.50 C ATOM 491 NE ARG A 33 -4.768 2.210 -13.670 1.00 34.14 N ATOM 492 CZ ARG A 33 -4.508 3.066 -14.643 1.00 75.42 C ATOM 493 NH1 ARG A 33 -4.362 4.337 -14.415 1.00 50.03 N ATOM 494 NH2 ARG A 33 -4.387 2.630 -15.851 1.00 32.41 N ATOM 0 H ARG A 33 -4.187 3.958 -10.449 1.00 14.43 H new ATOM 0 HA ARG A 33 -3.865 2.479 -8.096 1.00 24.31 H new ATOM 0 HB2 ARG A 33 -5.214 0.782 -9.256 1.00 5.22 H new ATOM 0 HB3 ARG A 33 -5.833 2.364 -9.686 1.00 5.22 H new ATOM 0 HG2 ARG A 33 -3.921 0.811 -11.485 1.00 11.43 H new ATOM 0 HG3 ARG A 33 -5.662 0.631 -11.579 1.00 11.43 H new ATOM 0 HD2 ARG A 33 -5.907 3.045 -12.117 1.00 55.50 H new ATOM 0 HD3 ARG A 33 -4.177 3.274 -11.959 1.00 55.50 H new ATOM 0 HE ARG A 33 -4.855 1.226 -13.925 1.00 34.14 H new ATOM 0 HH11 ARG A 33 -4.448 4.698 -13.465 1.00 50.03 H new ATOM 0 HH12 ARG A 33 -4.162 4.974 -15.186 1.00 50.03 H new ATOM 0 HH21 ARG A 33 -4.492 1.634 -16.047 1.00 32.41 H new ATOM 0 HH22 ARG A 33 -4.186 3.281 -16.610 1.00 32.41 H new ATOM 508 N LEU A 34 -2.386 0.457 -8.405 1.00 72.25 N ATOM 509 CA LEU A 34 -1.316 -0.577 -8.360 1.00 22.34 C ATOM 510 C LEU A 34 -1.757 -1.863 -9.093 1.00 13.11 C ATOM 511 O LEU A 34 -2.948 -2.071 -9.359 1.00 25.33 O ATOM 512 CB LEU A 34 -0.937 -0.920 -6.878 1.00 62.22 C ATOM 513 CG LEU A 34 -0.044 0.109 -6.109 1.00 24.21 C ATOM 514 CD1 LEU A 34 1.358 0.209 -6.733 1.00 42.40 C ATOM 515 CD2 LEU A 34 -0.717 1.485 -6.008 1.00 50.02 C ATOM 0 H LEU A 34 -3.051 0.369 -7.637 1.00 72.25 H new ATOM 0 HA LEU A 34 -0.441 -0.168 -8.865 1.00 22.34 H new ATOM 0 HB2 LEU A 34 -1.861 -1.051 -6.315 1.00 62.22 H new ATOM 0 HB3 LEU A 34 -0.423 -1.881 -6.875 1.00 62.22 H new ATOM 0 HG LEU A 34 0.075 -0.263 -5.091 1.00 24.21 H new ATOM 0 HD11 LEU A 34 1.954 0.932 -6.176 1.00 42.40 H new ATOM 0 HD12 LEU A 34 1.843 -0.766 -6.696 1.00 42.40 H new ATOM 0 HD13 LEU A 34 1.272 0.532 -7.770 1.00 42.40 H new ATOM 0 HD21 LEU A 34 -0.064 2.170 -5.467 1.00 50.02 H new ATOM 0 HD22 LEU A 34 -0.902 1.874 -7.009 1.00 50.02 H new ATOM 0 HD23 LEU A 34 -1.663 1.389 -5.476 1.00 50.02 H new ATOM 527 N ALA A 35 -0.777 -2.717 -9.407 1.00 54.31 N ATOM 528 CA ALA A 35 -0.999 -3.981 -10.133 1.00 3.24 C ATOM 529 C ALA A 35 -0.185 -5.122 -9.488 1.00 2.34 C ATOM 530 O ALA A 35 0.966 -4.924 -9.120 1.00 32.52 O ATOM 531 CB ALA A 35 -0.607 -3.779 -11.602 1.00 22.54 C ATOM 0 H ALA A 35 0.200 -2.553 -9.165 1.00 54.31 H new ATOM 0 HA ALA A 35 -2.051 -4.262 -10.080 1.00 3.24 H new ATOM 0 HB1 ALA A 35 -0.766 -4.707 -12.152 1.00 22.54 H new ATOM 0 HB2 ALA A 35 -1.220 -2.990 -12.037 1.00 22.54 H new ATOM 0 HB3 ALA A 35 0.444 -3.497 -11.663 1.00 22.54 H new ATOM 537 N SER A 36 -0.779 -6.324 -9.393 1.00 12.33 N ATOM 538 CA SER A 36 -0.133 -7.515 -8.768 1.00 54.12 C ATOM 539 C SER A 36 0.840 -8.253 -9.737 1.00 31.15 C ATOM 540 O SER A 36 1.051 -9.466 -9.609 1.00 21.30 O ATOM 541 CB SER A 36 -1.231 -8.491 -8.284 1.00 11.33 C ATOM 542 OG SER A 36 -2.049 -8.931 -9.358 1.00 12.34 O ATOM 0 H SER A 36 -1.719 -6.508 -9.744 1.00 12.33 H new ATOM 0 HA SER A 36 0.466 -7.162 -7.928 1.00 54.12 H new ATOM 0 HB2 SER A 36 -0.767 -9.352 -7.803 1.00 11.33 H new ATOM 0 HB3 SER A 36 -1.849 -8.000 -7.532 1.00 11.33 H new ATOM 0 HG SER A 36 -2.731 -9.547 -9.018 1.00 12.34 H new ATOM 548 N GLN A 37 1.478 -7.502 -10.658 1.00 72.41 N ATOM 549 CA GLN A 37 2.366 -8.056 -11.712 1.00 31.31 C ATOM 550 C GLN A 37 3.788 -7.444 -11.607 1.00 30.50 C ATOM 551 O GLN A 37 3.944 -6.218 -11.611 1.00 74.42 O ATOM 552 CB GLN A 37 1.783 -7.800 -13.141 1.00 62.24 C ATOM 553 CG GLN A 37 0.447 -8.538 -13.481 1.00 33.02 C ATOM 554 CD GLN A 37 -0.845 -7.779 -13.118 1.00 63.04 C ATOM 555 OE1 GLN A 37 -0.893 -6.995 -12.190 1.00 44.52 O ATOM 556 NE2 GLN A 37 -1.907 -8.009 -13.867 1.00 34.02 N ATOM 0 H GLN A 37 1.394 -6.486 -10.695 1.00 72.41 H new ATOM 0 HA GLN A 37 2.429 -9.133 -11.555 1.00 31.31 H new ATOM 0 HB2 GLN A 37 1.623 -6.728 -13.259 1.00 62.24 H new ATOM 0 HB3 GLN A 37 2.533 -8.093 -13.875 1.00 62.24 H new ATOM 0 HG2 GLN A 37 0.433 -8.752 -14.550 1.00 33.02 H new ATOM 0 HG3 GLN A 37 0.441 -9.497 -12.964 1.00 33.02 H new ATOM 0 HE21 GLN A 37 -1.851 -8.670 -14.642 1.00 34.02 H new ATOM 0 HE22 GLN A 37 -2.784 -7.526 -13.671 1.00 34.02 H new ATOM 565 N GLY A 38 4.808 -8.325 -11.498 1.00 71.14 N ATOM 566 CA GLY A 38 6.228 -7.928 -11.529 1.00 44.22 C ATOM 567 C GLY A 38 6.679 -7.065 -10.344 1.00 3.41 C ATOM 568 O GLY A 38 6.928 -7.588 -9.259 1.00 65.41 O ATOM 0 H GLY A 38 4.667 -9.329 -11.386 1.00 71.14 H new ATOM 0 HA2 GLY A 38 6.842 -8.828 -11.560 1.00 44.22 H new ATOM 0 HA3 GLY A 38 6.418 -7.381 -12.452 1.00 44.22 H new ATOM 572 N ARG A 39 6.759 -5.736 -10.577 1.00 74.52 N ATOM 573 CA ARG A 39 7.211 -4.721 -9.587 1.00 50.41 C ATOM 574 C ARG A 39 6.456 -4.810 -8.243 1.00 33.43 C ATOM 575 O ARG A 39 7.060 -4.763 -7.162 1.00 71.44 O ATOM 576 CB ARG A 39 7.012 -3.300 -10.189 1.00 51.31 C ATOM 577 CG ARG A 39 7.943 -2.961 -11.379 1.00 61.32 C ATOM 578 CD ARG A 39 9.397 -2.695 -10.938 1.00 41.02 C ATOM 579 NE ARG A 39 9.503 -1.467 -10.120 1.00 34.10 N ATOM 580 CZ ARG A 39 9.899 -1.403 -8.867 1.00 55.51 C ATOM 581 NH1 ARG A 39 10.213 -2.467 -8.202 1.00 43.25 N ATOM 582 NH2 ARG A 39 9.953 -0.265 -8.282 1.00 2.10 N ATOM 0 H ARG A 39 6.507 -5.326 -11.476 1.00 74.52 H new ATOM 0 HA ARG A 39 8.263 -4.919 -9.379 1.00 50.41 H new ATOM 0 HB2 ARG A 39 5.977 -3.201 -10.516 1.00 51.31 H new ATOM 0 HB3 ARG A 39 7.169 -2.562 -9.402 1.00 51.31 H new ATOM 0 HG2 ARG A 39 7.929 -3.785 -12.093 1.00 61.32 H new ATOM 0 HG3 ARG A 39 7.558 -2.083 -11.898 1.00 61.32 H new ATOM 0 HD2 ARG A 39 9.766 -3.547 -10.366 1.00 41.02 H new ATOM 0 HD3 ARG A 39 10.033 -2.602 -11.818 1.00 41.02 H new ATOM 0 HE ARG A 39 9.245 -0.588 -10.569 1.00 34.10 H new ATOM 0 HH11 ARG A 39 10.156 -3.382 -8.648 1.00 43.25 H new ATOM 0 HH12 ARG A 39 10.517 -2.391 -7.231 1.00 43.25 H new ATOM 0 HH21 ARG A 39 9.690 0.581 -8.787 1.00 2.10 H new ATOM 0 HH22 ARG A 39 10.259 -0.205 -7.311 1.00 2.10 H new ATOM 596 N VAL A 40 5.127 -4.928 -8.339 1.00 23.30 N ATOM 597 CA VAL A 40 4.224 -4.937 -7.176 1.00 72.42 C ATOM 598 C VAL A 40 3.482 -6.293 -7.072 1.00 72.14 C ATOM 599 O VAL A 40 3.140 -6.901 -8.085 1.00 11.30 O ATOM 600 CB VAL A 40 3.214 -3.730 -7.267 1.00 20.01 C ATOM 601 CG1 VAL A 40 2.183 -3.740 -6.111 1.00 53.45 C ATOM 602 CG2 VAL A 40 3.973 -2.379 -7.327 1.00 44.41 C ATOM 0 H VAL A 40 4.641 -5.021 -9.231 1.00 23.30 H new ATOM 0 HA VAL A 40 4.814 -4.816 -6.267 1.00 72.42 H new ATOM 0 HB VAL A 40 2.652 -3.850 -8.193 1.00 20.01 H new ATOM 0 HG11 VAL A 40 1.509 -2.890 -6.217 1.00 53.45 H new ATOM 0 HG12 VAL A 40 1.608 -4.665 -6.145 1.00 53.45 H new ATOM 0 HG13 VAL A 40 2.706 -3.672 -5.157 1.00 53.45 H new ATOM 0 HG21 VAL A 40 3.255 -1.561 -7.389 1.00 44.41 H new ATOM 0 HG22 VAL A 40 4.579 -2.262 -6.429 1.00 44.41 H new ATOM 0 HG23 VAL A 40 4.619 -2.363 -8.205 1.00 44.41 H new ATOM 612 N GLN A 41 3.272 -6.765 -5.827 1.00 25.24 N ATOM 613 CA GLN A 41 2.592 -8.046 -5.522 1.00 20.40 C ATOM 614 C GLN A 41 1.420 -7.807 -4.540 1.00 34.01 C ATOM 615 O GLN A 41 1.596 -7.136 -3.519 1.00 42.43 O ATOM 616 CB GLN A 41 3.608 -9.048 -4.898 1.00 44.11 C ATOM 617 CG GLN A 41 4.824 -9.367 -5.789 1.00 35.41 C ATOM 618 CD GLN A 41 5.758 -10.409 -5.173 1.00 62.04 C ATOM 619 OE1 GLN A 41 6.709 -10.084 -4.474 1.00 54.24 O ATOM 620 NE2 GLN A 41 5.486 -11.675 -5.421 1.00 4.31 N ATOM 0 H GLN A 41 3.573 -6.263 -4.992 1.00 25.24 H new ATOM 0 HA GLN A 41 2.197 -8.465 -6.448 1.00 20.40 H new ATOM 0 HB2 GLN A 41 3.964 -8.642 -3.951 1.00 44.11 H new ATOM 0 HB3 GLN A 41 3.087 -9.978 -4.670 1.00 44.11 H new ATOM 0 HG2 GLN A 41 4.474 -9.727 -6.756 1.00 35.41 H new ATOM 0 HG3 GLN A 41 5.383 -8.450 -5.974 1.00 35.41 H new ATOM 0 HE21 GLN A 41 4.688 -11.920 -6.007 1.00 4.31 H new ATOM 0 HE22 GLN A 41 6.074 -12.410 -5.027 1.00 4.31 H new ATOM 629 N LEU A 42 0.221 -8.351 -4.856 1.00 15.02 N ATOM 630 CA LEU A 42 -0.992 -8.182 -4.009 1.00 41.24 C ATOM 631 C LEU A 42 -1.541 -9.539 -3.501 1.00 23.21 C ATOM 632 O LEU A 42 -1.467 -10.546 -4.209 1.00 14.41 O ATOM 633 CB LEU A 42 -2.102 -7.417 -4.790 1.00 54.03 C ATOM 634 CG LEU A 42 -1.719 -5.992 -5.318 1.00 21.20 C ATOM 635 CD1 LEU A 42 -2.891 -5.331 -6.072 1.00 11.21 C ATOM 636 CD2 LEU A 42 -1.222 -5.088 -4.177 1.00 62.13 C ATOM 0 H LEU A 42 0.064 -8.913 -5.693 1.00 15.02 H new ATOM 0 HA LEU A 42 -0.696 -7.597 -3.138 1.00 41.24 H new ATOM 0 HB2 LEU A 42 -2.405 -8.027 -5.641 1.00 54.03 H new ATOM 0 HB3 LEU A 42 -2.972 -7.320 -4.141 1.00 54.03 H new ATOM 0 HG LEU A 42 -0.901 -6.121 -6.027 1.00 21.20 H new ATOM 0 HD11 LEU A 42 -2.588 -4.345 -6.423 1.00 11.21 H new ATOM 0 HD12 LEU A 42 -3.170 -5.950 -6.925 1.00 11.21 H new ATOM 0 HD13 LEU A 42 -3.745 -5.231 -5.402 1.00 11.21 H new ATOM 0 HD21 LEU A 42 -0.964 -4.107 -4.576 1.00 62.13 H new ATOM 0 HD22 LEU A 42 -2.008 -4.981 -3.429 1.00 62.13 H new ATOM 0 HD23 LEU A 42 -0.341 -5.535 -3.716 1.00 62.13 H new ATOM 648 N GLU A 43 -2.085 -9.550 -2.268 1.00 34.01 N ATOM 649 CA GLU A 43 -2.902 -10.675 -1.747 1.00 74.43 C ATOM 650 C GLU A 43 -4.388 -10.246 -1.691 1.00 33.33 C ATOM 651 O GLU A 43 -4.713 -9.173 -1.165 1.00 15.25 O ATOM 652 CB GLU A 43 -2.423 -11.136 -0.334 1.00 73.13 C ATOM 653 CG GLU A 43 -3.250 -12.301 0.268 1.00 33.14 C ATOM 654 CD GLU A 43 -2.790 -12.744 1.672 1.00 12.21 C ATOM 655 OE1 GLU A 43 -1.881 -13.597 1.776 1.00 24.01 O ATOM 656 OE2 GLU A 43 -3.341 -12.252 2.681 1.00 11.31 O ATOM 0 H GLU A 43 -1.974 -8.784 -1.604 1.00 34.01 H new ATOM 0 HA GLU A 43 -2.784 -11.522 -2.423 1.00 74.43 H new ATOM 0 HB2 GLU A 43 -1.379 -11.442 -0.398 1.00 73.13 H new ATOM 0 HB3 GLU A 43 -2.465 -10.286 0.347 1.00 73.13 H new ATOM 0 HG2 GLU A 43 -4.296 -12.000 0.319 1.00 33.14 H new ATOM 0 HG3 GLU A 43 -3.196 -13.156 -0.406 1.00 33.14 H new ATOM 663 N GLN A 44 -5.279 -11.097 -2.241 1.00 1.14 N ATOM 664 CA GLN A 44 -6.734 -10.854 -2.275 1.00 51.43 C ATOM 665 C GLN A 44 -7.447 -11.770 -1.256 1.00 25.20 C ATOM 666 O GLN A 44 -7.604 -12.974 -1.489 1.00 5.45 O ATOM 667 CB GLN A 44 -7.272 -11.104 -3.710 1.00 1.11 C ATOM 668 CG GLN A 44 -6.648 -10.192 -4.791 1.00 32.13 C ATOM 669 CD GLN A 44 -7.184 -10.451 -6.204 1.00 15.43 C ATOM 670 OE1 GLN A 44 -8.326 -10.864 -6.388 1.00 45.21 O ATOM 671 NE2 GLN A 44 -6.370 -10.212 -7.213 1.00 64.33 N ATOM 0 H GLN A 44 -5.006 -11.978 -2.677 1.00 1.14 H new ATOM 0 HA GLN A 44 -6.935 -9.818 -2.003 1.00 51.43 H new ATOM 0 HB2 GLN A 44 -7.088 -12.144 -3.978 1.00 1.11 H new ATOM 0 HB3 GLN A 44 -8.353 -10.961 -3.710 1.00 1.11 H new ATOM 0 HG2 GLN A 44 -6.835 -9.151 -4.527 1.00 32.13 H new ATOM 0 HG3 GLN A 44 -5.567 -10.332 -4.791 1.00 32.13 H new ATOM 0 HE21 GLN A 44 -5.426 -9.869 -7.036 1.00 64.33 H new ATOM 0 HE22 GLN A 44 -6.685 -10.370 -8.170 1.00 64.33 H new ATOM 680 N ALA A 45 -7.855 -11.190 -0.117 1.00 74.35 N ATOM 681 CA ALA A 45 -8.548 -11.925 0.971 1.00 72.25 C ATOM 682 C ALA A 45 -9.869 -11.225 1.370 1.00 30.51 C ATOM 683 O ALA A 45 -10.218 -10.175 0.821 1.00 3.42 O ATOM 684 CB ALA A 45 -7.606 -12.059 2.183 1.00 61.13 C ATOM 0 H ALA A 45 -7.718 -10.199 0.083 1.00 74.35 H new ATOM 0 HA ALA A 45 -8.808 -12.920 0.611 1.00 72.25 H new ATOM 0 HB1 ALA A 45 -8.115 -12.599 2.982 1.00 61.13 H new ATOM 0 HB2 ALA A 45 -6.710 -12.606 1.889 1.00 61.13 H new ATOM 0 HB3 ALA A 45 -7.325 -11.067 2.537 1.00 61.13 H new ATOM 690 N GLY A 46 -10.602 -11.831 2.326 1.00 51.10 N ATOM 691 CA GLY A 46 -11.843 -11.240 2.858 1.00 62.13 C ATOM 692 C GLY A 46 -11.602 -10.033 3.775 1.00 53.12 C ATOM 693 O GLY A 46 -12.477 -9.173 3.928 1.00 54.12 O ATOM 0 H GLY A 46 -10.355 -12.728 2.744 1.00 51.10 H new ATOM 0 HA2 GLY A 46 -12.476 -10.933 2.025 1.00 62.13 H new ATOM 0 HA3 GLY A 46 -12.391 -12.003 3.411 1.00 62.13 H new ATOM 697 N ALA A 47 -10.406 -9.975 4.385 1.00 73.11 N ATOM 698 CA ALA A 47 -10.025 -8.893 5.317 1.00 32.11 C ATOM 699 C ALA A 47 -8.583 -8.394 5.062 1.00 33.41 C ATOM 700 O ALA A 47 -8.364 -7.191 4.845 1.00 25.42 O ATOM 701 CB ALA A 47 -10.193 -9.369 6.769 1.00 44.53 C ATOM 0 H ALA A 47 -9.676 -10.674 4.248 1.00 73.11 H new ATOM 0 HA ALA A 47 -10.690 -8.047 5.142 1.00 32.11 H new ATOM 0 HB1 ALA A 47 -9.910 -8.566 7.450 1.00 44.53 H new ATOM 0 HB2 ALA A 47 -11.233 -9.644 6.944 1.00 44.53 H new ATOM 0 HB3 ALA A 47 -9.555 -10.235 6.944 1.00 44.53 H new ATOM 707 N ARG A 48 -7.600 -9.323 5.086 1.00 13.32 N ATOM 708 CA ARG A 48 -6.169 -8.962 4.992 1.00 51.43 C ATOM 709 C ARG A 48 -5.724 -8.729 3.530 1.00 2.30 C ATOM 710 O ARG A 48 -5.455 -9.679 2.789 1.00 2.13 O ATOM 711 CB ARG A 48 -5.265 -10.031 5.670 1.00 23.51 C ATOM 712 CG ARG A 48 -3.808 -9.552 5.897 1.00 1.25 C ATOM 713 CD ARG A 48 -2.897 -10.633 6.512 1.00 33.15 C ATOM 714 NE ARG A 48 -2.597 -11.713 5.556 1.00 64.04 N ATOM 715 CZ ARG A 48 -1.744 -12.698 5.747 1.00 12.31 C ATOM 716 NH1 ARG A 48 -1.094 -12.833 6.864 1.00 21.05 N ATOM 717 NH2 ARG A 48 -1.549 -13.547 4.799 1.00 35.04 N ATOM 0 H ARG A 48 -7.772 -10.325 5.169 1.00 13.32 H new ATOM 0 HA ARG A 48 -6.050 -8.021 5.530 1.00 51.43 H new ATOM 0 HB2 ARG A 48 -5.701 -10.309 6.629 1.00 23.51 H new ATOM 0 HB3 ARG A 48 -5.252 -10.929 5.053 1.00 23.51 H new ATOM 0 HG2 ARG A 48 -3.386 -9.231 4.944 1.00 1.25 H new ATOM 0 HG3 ARG A 48 -3.818 -8.680 6.551 1.00 1.25 H new ATOM 0 HD2 ARG A 48 -1.966 -10.175 6.845 1.00 33.15 H new ATOM 0 HD3 ARG A 48 -3.379 -11.054 7.394 1.00 33.15 H new ATOM 0 HE ARG A 48 -3.095 -11.696 4.666 1.00 64.04 H new ATOM 0 HH11 ARG A 48 -1.238 -12.166 7.622 1.00 21.05 H new ATOM 0 HH12 ARG A 48 -0.440 -13.606 6.983 1.00 21.05 H new ATOM 0 HH21 ARG A 48 -2.052 -13.451 3.917 1.00 35.04 H new ATOM 0 HH22 ARG A 48 -0.892 -14.316 4.930 1.00 35.04 H new ATOM 731 N GLN A 49 -5.686 -7.451 3.118 1.00 70.25 N ATOM 732 CA GLN A 49 -5.143 -7.047 1.801 1.00 51.32 C ATOM 733 C GLN A 49 -3.641 -6.720 1.967 1.00 35.30 C ATOM 734 O GLN A 49 -3.258 -6.042 2.926 1.00 52.22 O ATOM 735 CB GLN A 49 -5.917 -5.816 1.235 1.00 2.31 C ATOM 736 CG GLN A 49 -7.447 -5.849 1.460 1.00 43.05 C ATOM 737 CD GLN A 49 -8.169 -7.089 0.905 1.00 63.20 C ATOM 738 OE1 GLN A 49 -7.790 -7.665 -0.113 1.00 11.55 O ATOM 739 NE2 GLN A 49 -9.216 -7.512 1.592 1.00 4.13 N ATOM 0 H GLN A 49 -6.027 -6.671 3.680 1.00 70.25 H new ATOM 0 HA GLN A 49 -5.265 -7.864 1.089 1.00 51.32 H new ATOM 0 HB2 GLN A 49 -5.517 -4.912 1.693 1.00 2.31 H new ATOM 0 HB3 GLN A 49 -5.723 -5.744 0.165 1.00 2.31 H new ATOM 0 HG2 GLN A 49 -7.641 -5.785 2.531 1.00 43.05 H new ATOM 0 HG3 GLN A 49 -7.884 -4.961 1.004 1.00 43.05 H new ATOM 0 HE21 GLN A 49 -9.509 -7.015 2.433 1.00 4.13 H new ATOM 0 HE22 GLN A 49 -9.731 -8.335 1.281 1.00 4.13 H new ATOM 748 N VAL A 50 -2.785 -7.226 1.067 1.00 42.10 N ATOM 749 CA VAL A 50 -1.317 -7.024 1.164 1.00 65.52 C ATOM 750 C VAL A 50 -0.771 -6.320 -0.104 1.00 3.35 C ATOM 751 O VAL A 50 -0.855 -6.859 -1.196 1.00 51.50 O ATOM 752 CB VAL A 50 -0.571 -8.397 1.406 1.00 63.25 C ATOM 753 CG1 VAL A 50 0.967 -8.214 1.454 1.00 11.53 C ATOM 754 CG2 VAL A 50 -1.087 -9.096 2.698 1.00 5.20 C ATOM 0 H VAL A 50 -3.076 -7.779 0.261 1.00 42.10 H new ATOM 0 HA VAL A 50 -1.124 -6.379 2.021 1.00 65.52 H new ATOM 0 HB VAL A 50 -0.798 -9.042 0.557 1.00 63.25 H new ATOM 0 HG11 VAL A 50 1.443 -9.180 1.622 1.00 11.53 H new ATOM 0 HG12 VAL A 50 1.314 -7.798 0.508 1.00 11.53 H new ATOM 0 HG13 VAL A 50 1.227 -7.535 2.266 1.00 11.53 H new ATOM 0 HG21 VAL A 50 -0.556 -10.038 2.839 1.00 5.20 H new ATOM 0 HG22 VAL A 50 -0.911 -8.448 3.557 1.00 5.20 H new ATOM 0 HG23 VAL A 50 -2.155 -9.292 2.604 1.00 5.20 H new ATOM 764 N LEU A 51 -0.241 -5.095 0.070 1.00 54.14 N ATOM 765 CA LEU A 51 0.493 -4.343 -0.987 1.00 11.22 C ATOM 766 C LEU A 51 1.994 -4.589 -0.810 1.00 13.14 C ATOM 767 O LEU A 51 2.489 -4.441 0.287 1.00 32.41 O ATOM 768 CB LEU A 51 0.124 -2.826 -0.865 1.00 64.14 C ATOM 769 CG LEU A 51 0.790 -1.750 -1.812 1.00 64.53 C ATOM 770 CD1 LEU A 51 2.203 -1.340 -1.350 1.00 73.33 C ATOM 771 CD2 LEU A 51 0.789 -2.207 -3.274 1.00 13.13 C ATOM 0 H LEU A 51 -0.306 -4.588 0.952 1.00 54.14 H new ATOM 0 HA LEU A 51 0.214 -4.679 -1.986 1.00 11.22 H new ATOM 0 HB2 LEU A 51 -0.955 -2.747 -1.001 1.00 64.14 H new ATOM 0 HB3 LEU A 51 0.339 -2.526 0.161 1.00 64.14 H new ATOM 0 HG LEU A 51 0.170 -0.856 -1.742 1.00 64.53 H new ATOM 0 HD11 LEU A 51 2.610 -0.599 -2.038 1.00 73.33 H new ATOM 0 HD12 LEU A 51 2.149 -0.913 -0.348 1.00 73.33 H new ATOM 0 HD13 LEU A 51 2.850 -2.217 -1.336 1.00 73.33 H new ATOM 0 HD21 LEU A 51 1.255 -1.442 -3.895 1.00 13.13 H new ATOM 0 HD22 LEU A 51 1.349 -3.138 -3.365 1.00 13.13 H new ATOM 0 HD23 LEU A 51 -0.237 -2.367 -3.604 1.00 13.13 H new ATOM 783 N ARG A 52 2.719 -4.973 -1.876 1.00 33.21 N ATOM 784 CA ARG A 52 4.197 -5.117 -1.819 1.00 13.14 C ATOM 785 C ARG A 52 4.876 -4.409 -3.009 1.00 51.25 C ATOM 786 O ARG A 52 4.845 -4.914 -4.121 1.00 73.32 O ATOM 787 CB ARG A 52 4.606 -6.618 -1.791 1.00 55.41 C ATOM 788 CG ARG A 52 4.062 -7.412 -0.584 1.00 54.55 C ATOM 789 CD ARG A 52 4.596 -8.851 -0.542 1.00 42.42 C ATOM 790 NE ARG A 52 6.065 -8.879 -0.435 1.00 72.24 N ATOM 791 CZ ARG A 52 6.859 -9.766 -0.990 1.00 65.14 C ATOM 792 NH1 ARG A 52 6.392 -10.735 -1.719 1.00 45.15 N ATOM 793 NH2 ARG A 52 8.134 -9.663 -0.816 1.00 12.23 N ATOM 0 H ARG A 52 2.314 -5.190 -2.787 1.00 33.21 H new ATOM 0 HA ARG A 52 4.536 -4.642 -0.898 1.00 13.14 H new ATOM 0 HB2 ARG A 52 4.257 -7.093 -2.708 1.00 55.41 H new ATOM 0 HB3 ARG A 52 5.694 -6.684 -1.792 1.00 55.41 H new ATOM 0 HG2 ARG A 52 4.335 -6.899 0.338 1.00 54.55 H new ATOM 0 HG3 ARG A 52 2.973 -7.432 -0.627 1.00 54.55 H new ATOM 0 HD2 ARG A 52 4.158 -9.378 0.306 1.00 42.42 H new ATOM 0 HD3 ARG A 52 4.286 -9.382 -1.442 1.00 42.42 H new ATOM 0 HE ARG A 52 6.505 -8.144 0.119 1.00 72.24 H new ATOM 0 HH11 ARG A 52 5.387 -10.820 -1.871 1.00 45.15 H new ATOM 0 HH12 ARG A 52 7.030 -11.411 -2.139 1.00 45.15 H new ATOM 0 HH21 ARG A 52 8.512 -8.900 -0.254 1.00 12.23 H new ATOM 0 HH22 ARG A 52 8.763 -10.344 -1.241 1.00 12.23 H new ATOM 807 N VAL A 53 5.506 -3.239 -2.763 1.00 35.24 N ATOM 808 CA VAL A 53 6.353 -2.558 -3.773 1.00 32.14 C ATOM 809 C VAL A 53 7.830 -2.940 -3.525 1.00 4.04 C ATOM 810 O VAL A 53 8.449 -2.474 -2.561 1.00 12.32 O ATOM 811 CB VAL A 53 6.182 -0.990 -3.749 1.00 31.51 C ATOM 812 CG1 VAL A 53 7.015 -0.319 -4.870 1.00 63.21 C ATOM 813 CG2 VAL A 53 4.692 -0.584 -3.862 1.00 13.12 C ATOM 0 H VAL A 53 5.445 -2.744 -1.873 1.00 35.24 H new ATOM 0 HA VAL A 53 6.034 -2.890 -4.761 1.00 32.14 H new ATOM 0 HB VAL A 53 6.556 -0.636 -2.788 1.00 31.51 H new ATOM 0 HG11 VAL A 53 6.877 0.761 -4.829 1.00 63.21 H new ATOM 0 HG12 VAL A 53 8.070 -0.556 -4.731 1.00 63.21 H new ATOM 0 HG13 VAL A 53 6.685 -0.690 -5.840 1.00 63.21 H new ATOM 0 HG21 VAL A 53 4.608 0.503 -3.842 1.00 13.12 H new ATOM 0 HG22 VAL A 53 4.282 -0.963 -4.798 1.00 13.12 H new ATOM 0 HG23 VAL A 53 4.135 -1.006 -3.025 1.00 13.12 H new ATOM 823 N GLN A 54 8.372 -3.811 -4.390 1.00 51.24 N ATOM 824 CA GLN A 54 9.712 -4.415 -4.211 1.00 21.04 C ATOM 825 C GLN A 54 10.864 -3.400 -4.462 1.00 21.20 C ATOM 826 O GLN A 54 11.102 -2.988 -5.596 1.00 53.01 O ATOM 827 CB GLN A 54 9.833 -5.661 -5.130 1.00 24.20 C ATOM 828 CG GLN A 54 8.788 -6.764 -4.827 1.00 63.12 C ATOM 829 CD GLN A 54 8.872 -7.955 -5.779 1.00 54.23 C ATOM 830 OE1 GLN A 54 8.167 -7.883 -6.885 1.00 13.24 O flip ATOM 831 NE2 GLN A 54 9.578 -8.926 -5.529 1.00 24.13 N flip ATOM 0 H GLN A 54 7.896 -4.121 -5.237 1.00 51.24 H new ATOM 0 HA GLN A 54 9.815 -4.722 -3.170 1.00 21.04 H new ATOM 0 HB2 GLN A 54 9.726 -5.347 -6.168 1.00 24.20 H new ATOM 0 HB3 GLN A 54 10.833 -6.082 -5.026 1.00 24.20 H new ATOM 0 HG2 GLN A 54 8.927 -7.115 -3.804 1.00 63.12 H new ATOM 0 HG3 GLN A 54 7.788 -6.333 -4.883 1.00 63.12 H new ATOM 0 HE21 GLN A 54 10.115 -8.956 -4.663 1.00 24.13 H new ATOM 0 HE22 GLN A 54 9.628 -9.703 -6.188 1.00 24.13 H new ATOM 840 N GLY A 55 11.568 -3.015 -3.376 1.00 23.34 N ATOM 841 CA GLY A 55 12.685 -2.053 -3.440 1.00 43.22 C ATOM 842 C GLY A 55 12.298 -0.638 -2.997 1.00 30.12 C ATOM 843 O GLY A 55 12.624 0.345 -3.677 1.00 3.02 O ATOM 0 H GLY A 55 11.378 -3.361 -2.436 1.00 23.34 H new ATOM 0 HA2 GLY A 55 13.500 -2.412 -2.811 1.00 43.22 H new ATOM 0 HA3 GLY A 55 13.063 -2.015 -4.462 1.00 43.22 H new ATOM 847 N ALA A 56 11.630 -0.537 -1.832 1.00 43.12 N ATOM 848 CA ALA A 56 11.094 0.736 -1.308 1.00 1.02 C ATOM 849 C ALA A 56 12.219 1.651 -0.783 1.00 71.54 C ATOM 850 O ALA A 56 12.883 1.318 0.201 1.00 74.31 O ATOM 851 CB ALA A 56 10.069 0.467 -0.202 1.00 2.21 C ATOM 0 H ALA A 56 11.446 -1.337 -1.226 1.00 43.12 H new ATOM 0 HA ALA A 56 10.602 1.253 -2.132 1.00 1.02 H new ATOM 0 HB1 ALA A 56 9.683 1.414 0.174 1.00 2.21 H new ATOM 0 HB2 ALA A 56 9.247 -0.126 -0.604 1.00 2.21 H new ATOM 0 HB3 ALA A 56 10.546 -0.079 0.612 1.00 2.21 H new ATOM 857 N ARG A 57 12.405 2.804 -1.440 1.00 53.34 N ATOM 858 CA ARG A 57 13.484 3.758 -1.124 1.00 5.23 C ATOM 859 C ARG A 57 13.154 5.189 -1.613 1.00 14.21 C ATOM 860 O ARG A 57 12.989 6.109 -0.805 1.00 24.25 O ATOM 861 CB ARG A 57 14.824 3.276 -1.758 1.00 0.11 C ATOM 862 CG ARG A 57 16.006 4.266 -1.593 1.00 15.15 C ATOM 863 CD ARG A 57 17.318 3.781 -2.242 1.00 11.35 C ATOM 864 NE ARG A 57 18.305 4.879 -2.338 1.00 42.21 N ATOM 865 CZ ARG A 57 19.610 4.772 -2.219 1.00 50.14 C ATOM 866 NH1 ARG A 57 20.168 3.659 -1.863 1.00 21.42 N ATOM 867 NH2 ARG A 57 20.345 5.811 -2.435 1.00 51.34 N ATOM 0 H ARG A 57 11.809 3.105 -2.211 1.00 53.34 H new ATOM 0 HA ARG A 57 13.583 3.795 -0.039 1.00 5.23 H new ATOM 0 HB2 ARG A 57 15.101 2.322 -1.310 1.00 0.11 H new ATOM 0 HB3 ARG A 57 14.664 3.095 -2.821 1.00 0.11 H new ATOM 0 HG2 ARG A 57 15.728 5.225 -2.030 1.00 15.15 H new ATOM 0 HG3 ARG A 57 16.179 4.438 -0.531 1.00 15.15 H new ATOM 0 HD2 ARG A 57 17.736 2.963 -1.656 1.00 11.35 H new ATOM 0 HD3 ARG A 57 17.111 3.387 -3.237 1.00 11.35 H new ATOM 0 HE ARG A 57 17.936 5.813 -2.514 1.00 42.21 H new ATOM 0 HH11 ARG A 57 19.593 2.840 -1.668 1.00 21.42 H new ATOM 0 HH12 ARG A 57 21.183 3.602 -1.778 1.00 21.42 H new ATOM 0 HH21 ARG A 57 19.912 6.697 -2.694 1.00 51.34 H new ATOM 0 HH22 ARG A 57 21.359 5.746 -2.347 1.00 51.34 H new ATOM 881 N SER A 58 13.066 5.354 -2.945 1.00 13.13 N ATOM 882 CA SER A 58 13.103 6.684 -3.603 1.00 61.12 C ATOM 883 C SER A 58 11.741 7.429 -3.554 1.00 34.04 C ATOM 884 O SER A 58 11.602 8.419 -2.829 1.00 21.24 O ATOM 885 CB SER A 58 13.593 6.526 -5.064 1.00 13.32 C ATOM 886 OG SER A 58 14.902 5.968 -5.117 1.00 41.13 O ATOM 0 H SER A 58 12.968 4.577 -3.598 1.00 13.13 H new ATOM 0 HA SER A 58 13.803 7.304 -3.043 1.00 61.12 H new ATOM 0 HB2 SER A 58 12.902 5.888 -5.614 1.00 13.32 H new ATOM 0 HB3 SER A 58 13.590 7.498 -5.557 1.00 13.32 H new ATOM 0 HG SER A 58 15.182 5.879 -6.052 1.00 41.13 H new ATOM 892 N GLY A 59 10.740 6.943 -4.315 1.00 10.52 N ATOM 893 CA GLY A 59 9.412 7.604 -4.411 1.00 14.00 C ATOM 894 C GLY A 59 8.275 6.737 -3.863 1.00 74.32 C ATOM 895 O GLY A 59 7.126 6.833 -4.311 1.00 64.45 O ATOM 0 H GLY A 59 10.821 6.094 -4.875 1.00 10.52 H new ATOM 0 HA2 GLY A 59 9.440 8.546 -3.864 1.00 14.00 H new ATOM 0 HA3 GLY A 59 9.207 7.847 -5.454 1.00 14.00 H new ATOM 899 N ASP A 60 8.605 5.896 -2.875 1.00 51.05 N ATOM 900 CA ASP A 60 7.686 4.879 -2.314 1.00 0.34 C ATOM 901 C ASP A 60 6.947 5.387 -1.051 1.00 34.41 C ATOM 902 O ASP A 60 6.076 4.701 -0.510 1.00 22.30 O ATOM 903 CB ASP A 60 8.507 3.615 -2.003 1.00 31.21 C ATOM 904 CG ASP A 60 9.305 3.155 -3.233 1.00 52.44 C ATOM 905 OD1 ASP A 60 10.401 3.714 -3.487 1.00 52.15 O ATOM 906 OD2 ASP A 60 8.844 2.268 -3.958 1.00 4.12 O ATOM 0 H ASP A 60 9.525 5.897 -2.434 1.00 51.05 H new ATOM 0 HA ASP A 60 6.910 4.657 -3.046 1.00 0.34 H new ATOM 0 HB2 ASP A 60 9.190 3.815 -1.177 1.00 31.21 H new ATOM 0 HB3 ASP A 60 7.841 2.816 -1.679 1.00 31.21 H new ATOM 911 N ALA A 61 7.322 6.585 -0.577 1.00 11.31 N ATOM 912 CA ALA A 61 6.609 7.281 0.505 1.00 63.41 C ATOM 913 C ALA A 61 5.413 8.050 -0.084 1.00 75.22 C ATOM 914 O ALA A 61 5.568 8.779 -1.075 1.00 0.14 O ATOM 915 CB ALA A 61 7.553 8.236 1.256 1.00 75.54 C ATOM 0 H ALA A 61 8.128 7.099 -0.933 1.00 11.31 H new ATOM 0 HA ALA A 61 6.244 6.545 1.221 1.00 63.41 H new ATOM 0 HB1 ALA A 61 7.004 8.740 2.052 1.00 75.54 H new ATOM 0 HB2 ALA A 61 8.377 7.668 1.687 1.00 75.54 H new ATOM 0 HB3 ALA A 61 7.948 8.978 0.562 1.00 75.54 H new ATOM 921 N GLY A 62 4.223 7.854 0.496 1.00 22.23 N ATOM 922 CA GLY A 62 3.016 8.497 -0.020 1.00 21.45 C ATOM 923 C GLY A 62 1.721 7.881 0.478 1.00 45.32 C ATOM 924 O GLY A 62 1.726 6.992 1.333 1.00 1.12 O ATOM 0 H GLY A 62 4.074 7.262 1.313 1.00 22.23 H new ATOM 0 HA2 GLY A 62 3.033 9.551 0.256 1.00 21.45 H new ATOM 0 HA3 GLY A 62 3.031 8.452 -1.109 1.00 21.45 H new ATOM 928 N GLU A 63 0.601 8.371 -0.072 1.00 2.31 N ATOM 929 CA GLU A 63 -0.743 7.939 0.327 1.00 45.34 C ATOM 930 C GLU A 63 -1.213 6.767 -0.553 1.00 71.44 C ATOM 931 O GLU A 63 -1.452 6.938 -1.757 1.00 12.02 O ATOM 932 CB GLU A 63 -1.761 9.104 0.227 1.00 13.33 C ATOM 933 CG GLU A 63 -1.369 10.422 0.948 1.00 75.22 C ATOM 934 CD GLU A 63 -0.288 11.248 0.218 1.00 2.42 C ATOM 935 OE1 GLU A 63 -0.596 11.810 -0.852 1.00 62.45 O ATOM 936 OE2 GLU A 63 0.873 11.293 0.676 1.00 0.02 O ATOM 0 H GLU A 63 0.603 9.079 -0.807 1.00 2.31 H new ATOM 0 HA GLU A 63 -0.691 7.614 1.366 1.00 45.34 H new ATOM 0 HB2 GLU A 63 -1.925 9.326 -0.828 1.00 13.33 H new ATOM 0 HB3 GLU A 63 -2.713 8.762 0.632 1.00 13.33 H new ATOM 0 HG2 GLU A 63 -2.261 11.037 1.066 1.00 75.22 H new ATOM 0 HG3 GLU A 63 -1.012 10.182 1.950 1.00 75.22 H new ATOM 943 N TYR A 64 -1.311 5.573 0.046 1.00 73.22 N ATOM 944 CA TYR A 64 -1.853 4.379 -0.632 1.00 45.03 C ATOM 945 C TYR A 64 -3.350 4.215 -0.297 1.00 62.40 C ATOM 946 O TYR A 64 -3.718 3.928 0.849 1.00 42.15 O ATOM 947 CB TYR A 64 -1.055 3.121 -0.230 1.00 62.24 C ATOM 948 CG TYR A 64 0.402 3.117 -0.720 1.00 51.12 C ATOM 949 CD1 TYR A 64 1.378 3.908 -0.102 1.00 61.21 C ATOM 950 CD2 TYR A 64 0.797 2.317 -1.796 1.00 34.43 C ATOM 951 CE1 TYR A 64 2.687 3.896 -0.535 1.00 73.05 C ATOM 952 CE2 TYR A 64 2.105 2.303 -2.233 1.00 2.22 C ATOM 953 CZ TYR A 64 3.045 3.088 -1.604 1.00 12.11 C ATOM 954 OH TYR A 64 4.345 3.083 -2.062 1.00 22.05 O ATOM 0 H TYR A 64 -1.020 5.404 1.009 1.00 73.22 H new ATOM 0 HA TYR A 64 -1.754 4.509 -1.710 1.00 45.03 H new ATOM 0 HB2 TYR A 64 -1.062 3.032 0.856 1.00 62.24 H new ATOM 0 HB3 TYR A 64 -1.562 2.241 -0.625 1.00 62.24 H new ATOM 0 HD1 TYR A 64 1.100 4.539 0.729 1.00 61.21 H new ATOM 0 HD2 TYR A 64 0.065 1.699 -2.294 1.00 34.43 H new ATOM 0 HE1 TYR A 64 3.428 4.511 -0.046 1.00 73.05 H new ATOM 0 HE2 TYR A 64 2.391 1.678 -3.066 1.00 2.22 H new ATOM 0 HH TYR A 64 4.899 3.645 -1.481 1.00 22.05 H new ATOM 964 N LEU A 65 -4.201 4.371 -1.311 1.00 53.42 N ATOM 965 CA LEU A 65 -5.654 4.373 -1.153 1.00 21.34 C ATOM 966 C LEU A 65 -6.216 2.955 -1.366 1.00 34.22 C ATOM 967 O LEU A 65 -6.331 2.474 -2.500 1.00 3.01 O ATOM 968 CB LEU A 65 -6.298 5.370 -2.151 1.00 52.32 C ATOM 969 CG LEU A 65 -7.853 5.500 -2.090 1.00 74.13 C ATOM 970 CD1 LEU A 65 -8.330 5.943 -0.689 1.00 23.12 C ATOM 971 CD2 LEU A 65 -8.363 6.463 -3.181 1.00 31.43 C ATOM 0 H LEU A 65 -3.897 4.501 -2.276 1.00 53.42 H new ATOM 0 HA LEU A 65 -5.898 4.691 -0.139 1.00 21.34 H new ATOM 0 HB2 LEU A 65 -5.865 6.355 -1.978 1.00 52.32 H new ATOM 0 HB3 LEU A 65 -6.019 5.072 -3.161 1.00 52.32 H new ATOM 0 HG LEU A 65 -8.277 4.514 -2.281 1.00 74.13 H new ATOM 0 HD11 LEU A 65 -9.417 6.023 -0.683 1.00 23.12 H new ATOM 0 HD12 LEU A 65 -8.016 5.207 0.052 1.00 23.12 H new ATOM 0 HD13 LEU A 65 -7.894 6.912 -0.445 1.00 23.12 H new ATOM 0 HD21 LEU A 65 -9.449 6.539 -3.121 1.00 31.43 H new ATOM 0 HD22 LEU A 65 -7.921 7.448 -3.032 1.00 31.43 H new ATOM 0 HD23 LEU A 65 -8.080 6.083 -4.163 1.00 31.43 H new ATOM 983 N CYS A 66 -6.528 2.288 -0.247 1.00 14.30 N ATOM 984 CA CYS A 66 -7.268 1.028 -0.242 1.00 54.35 C ATOM 985 C CYS A 66 -8.741 1.291 -0.618 1.00 32.33 C ATOM 986 O CYS A 66 -9.586 1.527 0.248 1.00 13.03 O ATOM 987 CB CYS A 66 -7.182 0.370 1.150 1.00 1.13 C ATOM 988 SG CYS A 66 -5.526 -0.087 1.652 1.00 31.03 S ATOM 0 H CYS A 66 -6.270 2.613 0.685 1.00 14.30 H new ATOM 0 HA CYS A 66 -6.829 0.351 -0.975 1.00 54.35 H new ATOM 0 HB2 CYS A 66 -7.596 1.056 1.889 1.00 1.13 H new ATOM 0 HB3 CYS A 66 -7.809 -0.521 1.156 1.00 1.13 H new ATOM 0 HG CYS A 66 -5.127 0.704 2.604 1.00 31.03 H new ATOM 994 N ASP A 67 -9.030 1.261 -1.926 1.00 11.42 N ATOM 995 CA ASP A 67 -10.369 1.559 -2.455 1.00 53.25 C ATOM 996 C ASP A 67 -11.298 0.330 -2.309 1.00 34.03 C ATOM 997 O ASP A 67 -11.345 -0.550 -3.179 1.00 64.24 O ATOM 998 CB ASP A 67 -10.263 2.037 -3.918 1.00 11.34 C ATOM 999 CG ASP A 67 -11.613 2.455 -4.514 1.00 0.22 C ATOM 1000 OD1 ASP A 67 -12.130 3.534 -4.141 1.00 72.43 O ATOM 1001 OD2 ASP A 67 -12.160 1.724 -5.365 1.00 63.11 O ATOM 0 H ASP A 67 -8.345 1.030 -2.646 1.00 11.42 H new ATOM 0 HA ASP A 67 -10.815 2.367 -1.874 1.00 53.25 H new ATOM 0 HB2 ASP A 67 -9.573 2.880 -3.970 1.00 11.34 H new ATOM 0 HB3 ASP A 67 -9.836 1.238 -4.525 1.00 11.34 H new ATOM 1006 N ALA A 68 -11.981 0.266 -1.164 1.00 43.02 N ATOM 1007 CA ALA A 68 -12.918 -0.816 -0.839 1.00 13.11 C ATOM 1008 C ALA A 68 -14.344 -0.507 -1.372 1.00 5.40 C ATOM 1009 O ALA A 68 -14.712 0.670 -1.499 1.00 73.40 O ATOM 1010 CB ALA A 68 -12.939 -1.024 0.689 1.00 63.11 C ATOM 0 H ALA A 68 -11.900 0.969 -0.429 1.00 43.02 H new ATOM 0 HA ALA A 68 -12.583 -1.732 -1.326 1.00 13.11 H new ATOM 0 HB1 ALA A 68 -13.633 -1.827 0.937 1.00 63.11 H new ATOM 0 HB2 ALA A 68 -11.940 -1.289 1.034 1.00 63.11 H new ATOM 0 HB3 ALA A 68 -13.259 -0.103 1.177 1.00 63.11 H new ATOM 1016 N PRO A 69 -15.171 -1.563 -1.705 1.00 3.25 N ATOM 1017 CA PRO A 69 -16.625 -1.380 -1.999 1.00 64.44 C ATOM 1018 C PRO A 69 -17.415 -0.810 -0.784 1.00 53.05 C ATOM 1019 O PRO A 69 -18.500 -0.245 -0.943 1.00 4.14 O ATOM 1020 CB PRO A 69 -17.106 -2.818 -2.363 1.00 65.24 C ATOM 1021 CG PRO A 69 -16.068 -3.733 -1.776 1.00 71.30 C ATOM 1022 CD PRO A 69 -14.757 -2.985 -1.881 1.00 25.05 C ATOM 0 HA PRO A 69 -16.793 -0.654 -2.794 1.00 64.44 H new ATOM 0 HB2 PRO A 69 -18.093 -3.022 -1.947 1.00 65.24 H new ATOM 0 HB3 PRO A 69 -17.182 -2.948 -3.443 1.00 65.24 H new ATOM 0 HG2 PRO A 69 -16.300 -3.973 -0.738 1.00 71.30 H new ATOM 0 HG3 PRO A 69 -16.025 -4.677 -2.320 1.00 71.30 H new ATOM 0 HD2 PRO A 69 -14.050 -3.298 -1.113 1.00 25.05 H new ATOM 0 HD3 PRO A 69 -14.274 -3.149 -2.844 1.00 25.05 H new ATOM 1030 N GLN A 70 -16.854 -0.988 0.429 1.00 60.55 N ATOM 1031 CA GLN A 70 -17.377 -0.390 1.676 1.00 43.14 C ATOM 1032 C GLN A 70 -16.261 0.481 2.311 1.00 53.31 C ATOM 1033 O GLN A 70 -15.400 -0.042 3.028 1.00 15.32 O ATOM 1034 CB GLN A 70 -17.862 -1.520 2.651 1.00 51.44 C ATOM 1035 CG GLN A 70 -18.862 -1.102 3.771 1.00 1.53 C ATOM 1036 CD GLN A 70 -18.370 -0.020 4.746 1.00 4.05 C ATOM 1037 OE1 GLN A 70 -18.618 1.165 4.564 1.00 74.14 O ATOM 1038 NE2 GLN A 70 -17.620 -0.417 5.756 1.00 2.33 N ATOM 0 H GLN A 70 -16.019 -1.555 0.573 1.00 60.55 H new ATOM 0 HA GLN A 70 -18.238 0.245 1.465 1.00 43.14 H new ATOM 0 HB2 GLN A 70 -18.328 -2.305 2.056 1.00 51.44 H new ATOM 0 HB3 GLN A 70 -16.984 -1.958 3.126 1.00 51.44 H new ATOM 0 HG2 GLN A 70 -19.778 -0.747 3.299 1.00 1.53 H new ATOM 0 HG3 GLN A 70 -19.123 -1.990 4.347 1.00 1.53 H new ATOM 0 HE21 GLN A 70 -17.427 -1.410 5.888 1.00 2.33 H new ATOM 0 HE22 GLN A 70 -17.234 0.269 6.405 1.00 2.33 H new ATOM 1047 N ASP A 71 -16.281 1.791 1.970 1.00 1.20 N ATOM 1048 CA ASP A 71 -15.450 2.852 2.592 1.00 13.22 C ATOM 1049 C ASP A 71 -13.923 2.686 2.305 1.00 72.52 C ATOM 1050 O ASP A 71 -13.265 1.781 2.834 1.00 2.15 O ATOM 1051 CB ASP A 71 -15.751 2.951 4.120 1.00 44.55 C ATOM 1052 CG ASP A 71 -15.197 4.221 4.779 1.00 54.51 C ATOM 1053 OD1 ASP A 71 -15.402 5.320 4.224 1.00 12.45 O ATOM 1054 OD2 ASP A 71 -14.567 4.133 5.848 1.00 33.50 O ATOM 0 H ASP A 71 -16.891 2.150 1.236 1.00 1.20 H new ATOM 0 HA ASP A 71 -15.730 3.795 2.123 1.00 13.22 H new ATOM 0 HB2 ASP A 71 -16.830 2.915 4.271 1.00 44.55 H new ATOM 0 HB3 ASP A 71 -15.330 2.079 4.621 1.00 44.55 H new ATOM 1059 N SER A 72 -13.371 3.592 1.473 1.00 32.55 N ATOM 1060 CA SER A 72 -11.944 3.581 1.068 1.00 64.40 C ATOM 1061 C SER A 72 -11.014 4.102 2.197 1.00 34.32 C ATOM 1062 O SER A 72 -11.292 5.128 2.817 1.00 21.25 O ATOM 1063 CB SER A 72 -11.757 4.427 -0.213 1.00 73.14 C ATOM 1064 OG SER A 72 -12.169 5.773 -0.016 1.00 22.04 O ATOM 0 H SER A 72 -13.903 4.358 1.059 1.00 32.55 H new ATOM 0 HA SER A 72 -11.663 2.547 0.868 1.00 64.40 H new ATOM 0 HB2 SER A 72 -10.709 4.407 -0.513 1.00 73.14 H new ATOM 0 HB3 SER A 72 -12.331 3.986 -1.028 1.00 73.14 H new ATOM 0 HG SER A 72 -12.036 6.280 -0.844 1.00 22.04 H new ATOM 1070 N ARG A 73 -9.902 3.389 2.451 1.00 74.43 N ATOM 1071 CA ARG A 73 -8.939 3.735 3.527 1.00 54.14 C ATOM 1072 C ARG A 73 -7.631 4.310 2.935 1.00 42.34 C ATOM 1073 O ARG A 73 -7.161 3.840 1.914 1.00 61.12 O ATOM 1074 CB ARG A 73 -8.627 2.471 4.375 1.00 72.21 C ATOM 1075 CG ARG A 73 -8.030 2.765 5.770 1.00 71.44 C ATOM 1076 CD ARG A 73 -9.026 3.522 6.683 1.00 21.11 C ATOM 1077 NE ARG A 73 -10.275 2.752 6.904 1.00 53.21 N ATOM 1078 CZ ARG A 73 -11.486 3.104 6.511 1.00 23.12 C ATOM 1079 NH1 ARG A 73 -11.690 4.196 5.842 1.00 33.52 N ATOM 1080 NH2 ARG A 73 -12.493 2.345 6.779 1.00 24.23 N ATOM 0 H ARG A 73 -9.641 2.558 1.921 1.00 74.43 H new ATOM 0 HA ARG A 73 -9.389 4.498 4.162 1.00 54.14 H new ATOM 0 HB2 ARG A 73 -9.545 1.898 4.501 1.00 72.21 H new ATOM 0 HB3 ARG A 73 -7.931 1.841 3.822 1.00 72.21 H new ATOM 0 HG2 ARG A 73 -7.744 1.827 6.246 1.00 71.44 H new ATOM 0 HG3 ARG A 73 -7.121 3.356 5.657 1.00 71.44 H new ATOM 0 HD2 ARG A 73 -8.553 3.728 7.643 1.00 21.11 H new ATOM 0 HD3 ARG A 73 -9.269 4.485 6.234 1.00 21.11 H new ATOM 0 HE ARG A 73 -10.191 1.868 7.406 1.00 53.21 H new ATOM 0 HH11 ARG A 73 -10.906 4.805 5.608 1.00 33.52 H new ATOM 0 HH12 ARG A 73 -12.635 4.446 5.550 1.00 33.52 H new ATOM 0 HH21 ARG A 73 -12.353 1.475 7.293 1.00 24.23 H new ATOM 0 HH22 ARG A 73 -13.429 2.614 6.477 1.00 24.23 H new ATOM 1094 N ILE A 74 -7.045 5.326 3.589 1.00 72.14 N ATOM 1095 CA ILE A 74 -5.772 5.952 3.143 1.00 71.11 C ATOM 1096 C ILE A 74 -4.595 5.491 4.054 1.00 64.41 C ATOM 1097 O ILE A 74 -4.738 5.408 5.281 1.00 64.21 O ATOM 1098 CB ILE A 74 -5.848 7.543 3.123 1.00 20.53 C ATOM 1099 CG1 ILE A 74 -6.964 8.087 2.151 1.00 45.22 C ATOM 1100 CG2 ILE A 74 -4.472 8.161 2.757 1.00 1.11 C ATOM 1101 CD1 ILE A 74 -8.398 7.949 2.645 1.00 33.22 C ATOM 0 H ILE A 74 -7.431 5.740 4.437 1.00 72.14 H new ATOM 0 HA ILE A 74 -5.598 5.621 2.119 1.00 71.11 H new ATOM 0 HB ILE A 74 -6.120 7.850 4.133 1.00 20.53 H new ATOM 0 HG12 ILE A 74 -6.767 9.141 1.956 1.00 45.22 H new ATOM 0 HG13 ILE A 74 -6.876 7.564 1.199 1.00 45.22 H new ATOM 0 HG21 ILE A 74 -4.552 9.248 2.750 1.00 1.11 H new ATOM 0 HG22 ILE A 74 -3.729 7.856 3.494 1.00 1.11 H new ATOM 0 HG23 ILE A 74 -4.168 7.813 1.770 1.00 1.11 H new ATOM 0 HD11 ILE A 74 -9.081 8.355 1.898 1.00 33.22 H new ATOM 0 HD12 ILE A 74 -8.626 6.896 2.811 1.00 33.22 H new ATOM 0 HD13 ILE A 74 -8.515 8.497 3.580 1.00 33.22 H new ATOM 1113 N PHE A 75 -3.440 5.184 3.431 1.00 32.54 N ATOM 1114 CA PHE A 75 -2.190 4.797 4.130 1.00 60.53 C ATOM 1115 C PHE A 75 -1.139 5.922 4.039 1.00 45.00 C ATOM 1116 O PHE A 75 -0.553 6.128 2.979 1.00 73.21 O ATOM 1117 CB PHE A 75 -1.611 3.480 3.515 1.00 34.55 C ATOM 1118 CG PHE A 75 -2.266 2.195 4.014 1.00 51.12 C ATOM 1119 CD1 PHE A 75 -3.639 1.996 3.905 1.00 35.14 C ATOM 1120 CD2 PHE A 75 -1.501 1.198 4.620 1.00 13.11 C ATOM 1121 CE1 PHE A 75 -4.222 0.844 4.379 1.00 72.35 C ATOM 1122 CE2 PHE A 75 -2.088 0.047 5.094 1.00 14.14 C ATOM 1123 CZ PHE A 75 -3.447 -0.127 4.974 1.00 61.42 C ATOM 0 H PHE A 75 -3.344 5.197 2.416 1.00 32.54 H new ATOM 0 HA PHE A 75 -2.428 4.628 5.180 1.00 60.53 H new ATOM 0 HB2 PHE A 75 -1.715 3.526 2.431 1.00 34.55 H new ATOM 0 HB3 PHE A 75 -0.544 3.434 3.731 1.00 34.55 H new ATOM 0 HD1 PHE A 75 -4.254 2.755 3.443 1.00 35.14 H new ATOM 0 HD2 PHE A 75 -0.434 1.331 4.718 1.00 13.11 H new ATOM 0 HE1 PHE A 75 -5.288 0.701 4.285 1.00 72.35 H new ATOM 0 HE2 PHE A 75 -1.483 -0.717 5.559 1.00 14.14 H new ATOM 0 HZ PHE A 75 -3.909 -1.029 5.348 1.00 61.42 H new ATOM 1133 N LEU A 76 -0.916 6.656 5.149 1.00 14.22 N ATOM 1134 CA LEU A 76 0.210 7.613 5.246 1.00 63.34 C ATOM 1135 C LEU A 76 1.521 6.836 5.493 1.00 62.30 C ATOM 1136 O LEU A 76 1.796 6.407 6.622 1.00 11.31 O ATOM 1137 CB LEU A 76 -0.028 8.653 6.375 1.00 61.15 C ATOM 1138 CG LEU A 76 -1.254 9.599 6.197 1.00 51.04 C ATOM 1139 CD1 LEU A 76 -1.399 10.549 7.408 1.00 60.45 C ATOM 1140 CD2 LEU A 76 -1.166 10.387 4.866 1.00 63.12 C ATOM 0 H LEU A 76 -1.496 6.606 5.987 1.00 14.22 H new ATOM 0 HA LEU A 76 0.284 8.162 4.307 1.00 63.34 H new ATOM 0 HB2 LEU A 76 -0.145 8.115 7.316 1.00 61.15 H new ATOM 0 HB3 LEU A 76 0.867 9.268 6.468 1.00 61.15 H new ATOM 0 HG LEU A 76 -2.151 8.981 6.151 1.00 51.04 H new ATOM 0 HD11 LEU A 76 -2.261 11.199 7.260 1.00 60.45 H new ATOM 0 HD12 LEU A 76 -1.539 9.962 8.316 1.00 60.45 H new ATOM 0 HD13 LEU A 76 -0.499 11.157 7.504 1.00 60.45 H new ATOM 0 HD21 LEU A 76 -2.035 11.038 4.770 1.00 63.12 H new ATOM 0 HD22 LEU A 76 -0.258 10.990 4.860 1.00 63.12 H new ATOM 0 HD23 LEU A 76 -1.143 9.688 4.030 1.00 63.12 H new ATOM 1152 N VAL A 77 2.287 6.590 4.415 1.00 1.54 N ATOM 1153 CA VAL A 77 3.558 5.844 4.490 1.00 25.53 C ATOM 1154 C VAL A 77 4.771 6.786 4.300 1.00 23.55 C ATOM 1155 O VAL A 77 4.799 7.587 3.362 1.00 72.24 O ATOM 1156 CB VAL A 77 3.608 4.684 3.426 1.00 72.05 C ATOM 1157 CG1 VAL A 77 4.906 3.851 3.575 1.00 41.05 C ATOM 1158 CG2 VAL A 77 2.349 3.778 3.522 1.00 64.15 C ATOM 0 H VAL A 77 2.046 6.900 3.474 1.00 1.54 H new ATOM 0 HA VAL A 77 3.612 5.402 5.485 1.00 25.53 H new ATOM 0 HB VAL A 77 3.613 5.140 2.436 1.00 72.05 H new ATOM 0 HG11 VAL A 77 4.916 3.056 2.829 1.00 41.05 H new ATOM 0 HG12 VAL A 77 5.772 4.497 3.429 1.00 41.05 H new ATOM 0 HG13 VAL A 77 4.945 3.413 4.572 1.00 41.05 H new ATOM 0 HG21 VAL A 77 2.412 2.987 2.775 1.00 64.15 H new ATOM 0 HG22 VAL A 77 2.295 3.335 4.516 1.00 64.15 H new ATOM 0 HG23 VAL A 77 1.456 4.376 3.342 1.00 64.15 H new ATOM 1168 N SER A 78 5.774 6.675 5.197 1.00 60.40 N ATOM 1169 CA SER A 78 7.061 7.408 5.071 1.00 70.32 C ATOM 1170 C SER A 78 8.226 6.404 4.976 1.00 12.33 C ATOM 1171 O SER A 78 8.510 5.681 5.935 1.00 41.35 O ATOM 1172 CB SER A 78 7.282 8.361 6.269 1.00 5.44 C ATOM 1173 OG SER A 78 6.186 9.248 6.438 1.00 32.32 O ATOM 0 H SER A 78 5.720 6.081 6.024 1.00 60.40 H new ATOM 0 HA SER A 78 7.023 8.010 4.163 1.00 70.32 H new ATOM 0 HB2 SER A 78 7.422 7.777 7.179 1.00 5.44 H new ATOM 0 HB3 SER A 78 8.196 8.935 6.115 1.00 5.44 H new ATOM 0 HG SER A 78 6.356 9.836 7.204 1.00 32.32 H new ATOM 1179 N VAL A 79 8.865 6.336 3.797 1.00 21.40 N ATOM 1180 CA VAL A 79 10.072 5.522 3.562 1.00 25.15 C ATOM 1181 C VAL A 79 11.273 6.480 3.393 1.00 71.11 C ATOM 1182 O VAL A 79 11.415 7.107 2.336 1.00 22.35 O ATOM 1183 CB VAL A 79 9.901 4.638 2.267 1.00 50.31 C ATOM 1184 CG1 VAL A 79 11.101 3.690 2.065 1.00 20.02 C ATOM 1185 CG2 VAL A 79 8.567 3.855 2.288 1.00 41.14 C ATOM 0 H VAL A 79 8.556 6.849 2.971 1.00 21.40 H new ATOM 0 HA VAL A 79 10.236 4.852 4.406 1.00 25.15 H new ATOM 0 HB VAL A 79 9.872 5.317 1.415 1.00 50.31 H new ATOM 0 HG11 VAL A 79 10.948 3.097 1.163 1.00 20.02 H new ATOM 0 HG12 VAL A 79 12.014 4.276 1.963 1.00 20.02 H new ATOM 0 HG13 VAL A 79 11.189 3.026 2.925 1.00 20.02 H new ATOM 0 HG21 VAL A 79 8.482 3.257 1.381 1.00 41.14 H new ATOM 0 HG22 VAL A 79 8.543 3.200 3.159 1.00 41.14 H new ATOM 0 HG23 VAL A 79 7.734 4.556 2.339 1.00 41.14 H new ATOM 1195 N GLU A 80 12.148 6.583 4.420 1.00 62.34 N ATOM 1196 CA GLU A 80 13.201 7.637 4.445 1.00 24.32 C ATOM 1197 C GLU A 80 14.276 7.408 5.528 1.00 13.32 C ATOM 1198 O GLU A 80 15.465 7.623 5.268 1.00 31.12 O ATOM 1199 CB GLU A 80 12.560 9.057 4.620 1.00 65.13 C ATOM 1200 CG GLU A 80 11.646 9.216 5.860 1.00 43.00 C ATOM 1201 CD GLU A 80 10.967 10.592 5.930 1.00 14.34 C ATOM 1202 OE1 GLU A 80 11.608 11.560 6.395 1.00 12.32 O ATOM 1203 OE2 GLU A 80 9.804 10.717 5.495 1.00 4.15 O ATOM 0 H GLU A 80 12.151 5.964 5.231 1.00 62.34 H new ATOM 0 HA GLU A 80 13.707 7.577 3.482 1.00 24.32 H new ATOM 0 HB2 GLU A 80 13.360 9.795 4.680 1.00 65.13 H new ATOM 0 HB3 GLU A 80 11.979 9.289 3.727 1.00 65.13 H new ATOM 0 HG2 GLU A 80 10.881 8.440 5.843 1.00 43.00 H new ATOM 0 HG3 GLU A 80 12.237 9.062 6.763 1.00 43.00 H new ATOM 1210 N GLU A 81 13.850 7.018 6.747 1.00 34.55 N ATOM 1211 CA GLU A 81 14.761 6.825 7.900 1.00 3.15 C ATOM 1212 C GLU A 81 15.686 5.602 7.678 1.00 55.12 C ATOM 1213 O GLU A 81 15.211 4.470 7.747 1.00 31.35 O ATOM 1214 CB GLU A 81 13.942 6.670 9.208 1.00 20.55 C ATOM 1215 CG GLU A 81 13.047 7.881 9.546 1.00 33.53 C ATOM 1216 CD GLU A 81 12.330 7.738 10.896 1.00 15.43 C ATOM 1217 OE1 GLU A 81 11.497 6.829 11.032 1.00 74.13 O ATOM 1218 OE2 GLU A 81 12.610 8.521 11.834 1.00 41.22 O ATOM 0 H GLU A 81 12.871 6.828 6.962 1.00 34.55 H new ATOM 0 HA GLU A 81 15.395 7.707 7.991 1.00 3.15 H new ATOM 0 HB2 GLU A 81 13.315 5.782 9.127 1.00 20.55 H new ATOM 0 HB3 GLU A 81 14.631 6.500 10.036 1.00 20.55 H new ATOM 0 HG2 GLU A 81 13.657 8.784 9.559 1.00 33.53 H new ATOM 0 HG3 GLU A 81 12.305 8.008 8.758 1.00 33.53 H new ATOM 1225 N PRO A 82 17.026 5.824 7.419 1.00 50.44 N ATOM 1226 CA PRO A 82 17.947 4.766 6.906 1.00 10.24 C ATOM 1227 C PRO A 82 18.089 3.532 7.860 1.00 21.14 C ATOM 1228 O PRO A 82 17.510 2.459 7.567 1.00 36.60 O ATOM 1229 CB PRO A 82 19.300 5.521 6.726 1.00 62.23 C ATOM 1230 CG PRO A 82 18.938 6.978 6.709 1.00 12.22 C ATOM 1231 CD PRO A 82 17.756 7.104 7.638 1.00 44.23 C ATOM 1232 OXT PRO A 82 18.759 3.654 8.910 1.00 36.60 O ATOM 0 HA PRO A 82 17.571 4.321 5.985 1.00 10.24 H new ATOM 0 HB2 PRO A 82 19.988 5.296 7.541 1.00 62.23 H new ATOM 0 HB3 PRO A 82 19.795 5.227 5.800 1.00 62.23 H new ATOM 0 HG2 PRO A 82 19.771 7.594 7.046 1.00 12.22 H new ATOM 0 HG3 PRO A 82 18.684 7.309 5.702 1.00 12.22 H new ATOM 0 HD2 PRO A 82 18.068 7.219 8.676 1.00 44.23 H new ATOM 0 HD3 PRO A 82 17.139 7.969 7.393 1.00 44.23 H new TER 1240 PRO A 82