USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 Set 1.1: A 33 GLN : amide:sc= -0.0485 K(o=0.73,f=-4.9) USER MOD Set 1.2: A 46 LYS NZ :NH3+ 169:sc= 0.781 (180deg=0.831) USER MOD Set 2.1: A 23 ASN : amide:sc= 1.02 K(o=2.3,f=-0.39!) USER MOD Set 2.2: A 26 THR OG1 : rot 138:sc= 1.23 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0777 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 75:sc= 0.835 USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= 0.367 (180deg=-0.183) USER MOD Single : A 12 GLN : amide:sc= 0.327 K(o=0.33,f=-6.6!) USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= -0.566! (180deg=-0.683!) USER MOD Single : A 17 MET CE :methyl -174:sc= -0.0178 (180deg=-0.138) USER MOD Single : A 21 GLN : amide:sc= 0.206 K(o=0.21,f=-1.8!) USER MOD Single : A 28 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A 29 GLN : amide:sc= 1.1 K(o=1.1,f=-0.0081) USER MOD Single : A 32 SER OG : rot -84:sc= 1.23 USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= 1.44 (180deg=1.38) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= 0.606 (180deg=0.111) USER MOD Single : A 49 MET CE :methyl 180:sc= -0.29 (180deg=-0.29) USER MOD Single : A 51 SER OG : rot -102:sc= 0.823 USER MOD Single : A 57 SER OG : rot -148:sc= 1.2 USER MOD Single : A 62 THR OG1 : rot -75:sc= 1.29 USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= 1.29 (180deg=1.19) USER MOD Single : A 65 LYS NZ :NH3+ -127:sc= 1.06 (180deg=0.523) USER MOD Single : A 67 GLN : amide:sc= 0.717 K(o=0.72,f=-4.6!) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= 0.0193 (180deg=-0.613) USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= 0.799 (180deg=0.359) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.458 -0.880 5.854 1.00 0.00 N ATOM 2 CA GLY A 1 -16.726 -2.066 6.345 1.00 0.00 C ATOM 3 C GLY A 1 -15.285 -1.704 6.686 1.00 0.00 C ATOM 4 O GLY A 1 -14.765 -0.741 6.127 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.075 -1.155 5.063 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.037 -0.486 6.623 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.779 -0.162 5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.224 -2.468 7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.740 -2.849 5.586 1.00 0.00 H new ATOM 10 N TYR A 2 -14.636 -2.477 7.570 1.00 0.00 N ATOM 11 CA TYR A 2 -13.275 -2.233 8.075 1.00 0.00 C ATOM 12 C TYR A 2 -12.221 -2.115 6.960 1.00 0.00 C ATOM 13 O TYR A 2 -11.208 -1.446 7.156 1.00 0.00 O ATOM 14 CB TYR A 2 -12.916 -3.345 9.082 1.00 0.00 C ATOM 15 CG TYR A 2 -11.499 -3.347 9.644 1.00 0.00 C ATOM 16 CD1 TYR A 2 -10.889 -2.159 10.099 1.00 0.00 C ATOM 17 CD2 TYR A 2 -10.787 -4.562 9.729 1.00 0.00 C ATOM 18 CE1 TYR A 2 -9.568 -2.174 10.584 1.00 0.00 C ATOM 19 CE2 TYR A 2 -9.473 -4.589 10.232 1.00 0.00 C ATOM 20 CZ TYR A 2 -8.850 -3.392 10.648 1.00 0.00 C ATOM 21 OH TYR A 2 -7.568 -3.408 11.105 1.00 0.00 O ATOM 0 H TYR A 2 -15.057 -3.317 7.966 1.00 0.00 H new ATOM 0 HA TYR A 2 -13.267 -1.263 8.572 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -13.611 -3.279 9.919 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.089 -4.307 8.599 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -11.440 -1.231 10.075 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.255 -5.480 9.405 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -9.102 -1.255 10.908 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -8.941 -5.526 10.300 1.00 0.00 H new ATOM 0 HH TYR A 2 -7.224 -4.326 11.084 1.00 0.00 H new ATOM 31 N PHE A 3 -12.477 -2.691 5.778 1.00 0.00 N ATOM 32 CA PHE A 3 -11.637 -2.569 4.590 1.00 0.00 C ATOM 33 C PHE A 3 -11.128 -1.151 4.339 1.00 0.00 C ATOM 34 O PHE A 3 -9.932 -0.999 4.109 1.00 0.00 O ATOM 35 CB PHE A 3 -12.383 -3.080 3.353 1.00 0.00 C ATOM 36 CG PHE A 3 -12.362 -4.581 3.179 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.308 -5.164 2.450 1.00 0.00 C ATOM 38 CD2 PHE A 3 -13.395 -5.387 3.693 1.00 0.00 C ATOM 39 CE1 PHE A 3 -11.288 -6.549 2.225 1.00 0.00 C ATOM 40 CE2 PHE A 3 -13.368 -6.775 3.475 1.00 0.00 C ATOM 41 CZ PHE A 3 -12.319 -7.351 2.738 1.00 0.00 C ATOM 0 H PHE A 3 -13.301 -3.272 5.622 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.758 -3.185 4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.420 -2.749 3.408 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.948 -2.619 2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -10.513 -4.544 2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.204 -4.941 4.252 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.483 -6.995 1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -14.154 -7.399 3.874 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.306 -8.417 2.565 1.00 0.00 H new ATOM 51 N CYS A 4 -11.993 -0.131 4.372 1.00 0.00 N ATOM 52 CA CYS A 4 -11.587 1.231 4.034 1.00 0.00 C ATOM 53 C CYS A 4 -10.493 1.729 4.984 1.00 0.00 C ATOM 54 O CYS A 4 -9.464 2.227 4.533 1.00 0.00 O ATOM 55 CB CYS A 4 -12.800 2.170 4.030 1.00 0.00 C ATOM 56 SG CYS A 4 -12.473 3.775 3.251 1.00 0.00 S ATOM 0 H CYS A 4 -12.975 -0.226 4.629 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.167 1.225 3.028 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.624 1.683 3.508 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.126 2.334 5.057 1.00 0.00 H new ATOM 61 N GLU A 5 -10.701 1.568 6.295 1.00 0.00 N ATOM 62 CA GLU A 5 -9.740 1.972 7.317 1.00 0.00 C ATOM 63 C GLU A 5 -8.464 1.147 7.149 1.00 0.00 C ATOM 64 O GLU A 5 -7.381 1.714 7.048 1.00 0.00 O ATOM 65 CB GLU A 5 -10.362 1.783 8.712 1.00 0.00 C ATOM 66 CG GLU A 5 -9.683 2.614 9.810 1.00 0.00 C ATOM 67 CD GLU A 5 -8.203 2.290 10.042 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.876 1.186 10.542 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.349 3.175 9.809 1.00 0.00 O ATOM 0 H GLU A 5 -11.550 1.150 6.676 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.484 3.026 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.418 2.050 8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.310 0.728 8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.773 3.670 9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.223 2.465 10.745 1.00 0.00 H new ATOM 76 N SER A 6 -8.602 -0.179 7.040 1.00 0.00 N ATOM 77 CA SER A 6 -7.483 -1.093 6.853 1.00 0.00 C ATOM 78 C SER A 6 -6.610 -0.620 5.695 1.00 0.00 C ATOM 79 O SER A 6 -5.407 -0.458 5.853 1.00 0.00 O ATOM 80 CB SER A 6 -7.980 -2.508 6.553 1.00 0.00 C ATOM 81 OG SER A 6 -8.846 -3.014 7.540 1.00 0.00 O ATOM 0 H SER A 6 -9.507 -0.648 7.080 1.00 0.00 H new ATOM 0 HA SER A 6 -6.902 -1.107 7.775 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.495 -2.509 5.592 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.123 -3.174 6.456 1.00 0.00 H new ATOM 0 HG SER A 6 -9.723 -2.584 7.458 1.00 0.00 H new ATOM 87 N CYS A 7 -7.223 -0.388 4.537 1.00 0.00 N ATOM 88 CA CYS A 7 -6.580 0.081 3.329 1.00 0.00 C ATOM 89 C CYS A 7 -5.886 1.416 3.563 1.00 0.00 C ATOM 90 O CYS A 7 -4.713 1.548 3.210 1.00 0.00 O ATOM 91 CB CYS A 7 -7.640 0.166 2.237 1.00 0.00 C ATOM 92 SG CYS A 7 -7.118 0.985 0.716 1.00 0.00 S ATOM 0 H CYS A 7 -8.226 -0.530 4.418 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.799 -0.613 3.018 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.967 -0.844 1.992 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.507 0.694 2.635 1.00 0.00 H new ATOM 97 N ARG A 8 -6.576 2.387 4.175 1.00 0.00 N ATOM 98 CA ARG A 8 -5.976 3.679 4.467 1.00 0.00 C ATOM 99 C ARG A 8 -4.721 3.454 5.302 1.00 0.00 C ATOM 100 O ARG A 8 -3.665 3.941 4.922 1.00 0.00 O ATOM 101 CB ARG A 8 -6.974 4.629 5.157 1.00 0.00 C ATOM 102 CG ARG A 8 -6.412 6.061 5.168 1.00 0.00 C ATOM 103 CD ARG A 8 -6.995 6.953 6.268 1.00 0.00 C ATOM 104 NE ARG A 8 -6.150 8.154 6.436 1.00 0.00 N ATOM 105 CZ ARG A 8 -6.506 9.443 6.492 1.00 0.00 C ATOM 106 NH1 ARG A 8 -7.764 9.839 6.301 1.00 0.00 N ATOM 107 NH2 ARG A 8 -5.551 10.336 6.733 1.00 0.00 N ATOM 0 H ARG A 8 -7.547 2.295 4.474 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.698 4.171 3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.930 4.608 4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.162 4.295 6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.330 6.014 5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.605 6.523 4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.013 7.246 6.011 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.050 6.401 7.206 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.150 7.974 6.522 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.491 9.151 6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.000 10.830 6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.588 10.029 6.867 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.782 11.328 6.783 1.00 0.00 H new ATOM 121 N LYS A 9 -4.812 2.720 6.412 1.00 0.00 N ATOM 122 CA LYS A 9 -3.694 2.453 7.309 1.00 0.00 C ATOM 123 C LYS A 9 -2.559 1.716 6.589 1.00 0.00 C ATOM 124 O LYS A 9 -1.397 2.046 6.819 1.00 0.00 O ATOM 125 CB LYS A 9 -4.234 1.688 8.529 1.00 0.00 C ATOM 126 CG LYS A 9 -3.167 1.491 9.614 1.00 0.00 C ATOM 127 CD LYS A 9 -3.715 0.852 10.902 1.00 0.00 C ATOM 128 CE LYS A 9 -4.282 1.856 11.922 1.00 0.00 C ATOM 129 NZ LYS A 9 -5.667 2.289 11.641 1.00 0.00 N ATOM 0 H LYS A 9 -5.684 2.287 6.716 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.250 3.388 7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.080 2.231 8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.607 0.715 8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.368 0.864 9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.724 2.457 9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.498 0.143 10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.917 0.282 11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.248 1.407 12.914 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.637 2.734 11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.064 2.751 12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.666 2.960 10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.246 1.461 11.395 1.00 0.00 H new ATOM 143 N ILE A 10 -2.877 0.736 5.740 1.00 0.00 N ATOM 144 CA ILE A 10 -1.921 -0.035 4.950 1.00 0.00 C ATOM 145 C ILE A 10 -1.112 0.916 4.069 1.00 0.00 C ATOM 146 O ILE A 10 0.116 0.908 4.162 1.00 0.00 O ATOM 147 CB ILE A 10 -2.647 -1.168 4.178 1.00 0.00 C ATOM 148 CG1 ILE A 10 -3.007 -2.298 5.164 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.793 -1.768 3.050 1.00 0.00 C ATOM 150 CD1 ILE A 10 -4.072 -3.262 4.617 1.00 0.00 C ATOM 0 H ILE A 10 -3.843 0.449 5.580 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.204 -0.543 5.595 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.535 -0.727 3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.106 -2.862 5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.367 -1.859 6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.355 -2.555 2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.539 -0.988 2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.878 -2.187 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.280 -4.033 5.359 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.987 -2.710 4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.706 -3.728 3.702 1.00 0.00 H new ATOM 162 N ILE A 11 -1.778 1.729 3.240 1.00 0.00 N ATOM 163 CA ILE A 11 -1.077 2.687 2.398 1.00 0.00 C ATOM 164 C ILE A 11 -0.328 3.684 3.284 1.00 0.00 C ATOM 165 O ILE A 11 0.859 3.860 3.060 1.00 0.00 O ATOM 166 CB ILE A 11 -2.020 3.367 1.378 1.00 0.00 C ATOM 167 CG1 ILE A 11 -2.663 2.403 0.348 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.278 4.488 0.626 1.00 0.00 C ATOM 169 CD1 ILE A 11 -1.703 1.513 -0.450 1.00 0.00 C ATOM 0 H ILE A 11 -2.793 1.738 3.139 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.343 2.158 1.790 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.838 3.771 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.365 1.759 0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.244 2.997 -0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.955 4.957 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.928 5.235 1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.425 4.067 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.273 0.886 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.014 2.138 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.138 0.881 0.235 1.00 0.00 H new ATOM 181 N GLN A 12 -0.963 4.301 4.287 1.00 0.00 N ATOM 182 CA GLN A 12 -0.339 5.339 5.110 1.00 0.00 C ATOM 183 C GLN A 12 0.972 4.846 5.711 1.00 0.00 C ATOM 184 O GLN A 12 1.968 5.555 5.643 1.00 0.00 O ATOM 185 CB GLN A 12 -1.265 5.803 6.246 1.00 0.00 C ATOM 186 CG GLN A 12 -2.487 6.598 5.769 1.00 0.00 C ATOM 187 CD GLN A 12 -2.352 8.116 5.893 1.00 0.00 C ATOM 188 OE1 GLN A 12 -3.204 8.742 6.529 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.377 8.745 5.252 1.00 0.00 N ATOM 0 H GLN A 12 -1.926 4.093 4.550 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.144 6.184 4.449 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.607 4.930 6.802 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.692 6.418 6.940 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.681 6.348 4.726 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.358 6.277 6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.681 8.211 4.731 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.322 9.763 5.280 1.00 0.00 H new ATOM 198 N LYS A 13 1.006 3.645 6.306 1.00 0.00 N ATOM 199 CA LYS A 13 2.240 3.174 6.919 1.00 0.00 C ATOM 200 C LYS A 13 3.324 2.928 5.873 1.00 0.00 C ATOM 201 O LYS A 13 4.493 3.027 6.243 1.00 0.00 O ATOM 202 CB LYS A 13 1.953 1.921 7.768 1.00 0.00 C ATOM 203 CG LYS A 13 3.103 1.500 8.704 1.00 0.00 C ATOM 204 CD LYS A 13 3.304 2.447 9.905 1.00 0.00 C ATOM 205 CE LYS A 13 4.733 2.998 10.002 1.00 0.00 C ATOM 206 NZ LYS A 13 4.997 3.995 8.955 1.00 0.00 N ATOM 0 H LYS A 13 0.215 3.004 6.372 1.00 0.00 H new ATOM 0 HA LYS A 13 2.626 3.950 7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.062 2.102 8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.724 1.091 7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.908 0.494 9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.028 1.454 8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.604 3.279 9.826 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.063 1.914 10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.884 3.449 10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.447 2.179 9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.999 4.272 8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.778 3.587 8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.401 4.832 9.115 1.00 0.00 H new ATOM 220 N LEU A 14 2.972 2.579 4.632 1.00 0.00 N ATOM 221 CA LEU A 14 3.944 2.435 3.552 1.00 0.00 C ATOM 222 C LEU A 14 4.445 3.807 3.138 1.00 0.00 C ATOM 223 O LEU A 14 5.647 4.016 3.080 1.00 0.00 O ATOM 224 CB LEU A 14 3.319 1.694 2.355 1.00 0.00 C ATOM 225 CG LEU A 14 4.257 1.422 1.164 1.00 0.00 C ATOM 226 CD1 LEU A 14 4.425 2.613 0.224 1.00 0.00 C ATOM 227 CD2 LEU A 14 5.639 0.912 1.576 1.00 0.00 C ATOM 0 H LEU A 14 2.010 2.390 4.352 1.00 0.00 H new ATOM 0 HA LEU A 14 4.788 1.842 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.927 0.740 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.469 2.275 1.997 1.00 0.00 H new ATOM 0 HG LEU A 14 3.742 0.629 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.099 2.343 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.455 2.892 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.841 3.456 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.245 0.742 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.126 1.653 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.533 -0.023 2.126 1.00 0.00 H new ATOM 239 N GLU A 15 3.517 4.708 2.843 1.00 0.00 N ATOM 240 CA GLU A 15 3.701 6.066 2.355 1.00 0.00 C ATOM 241 C GLU A 15 4.660 6.820 3.275 1.00 0.00 C ATOM 242 O GLU A 15 5.621 7.419 2.806 1.00 0.00 O ATOM 243 CB GLU A 15 2.271 6.647 2.289 1.00 0.00 C ATOM 244 CG GLU A 15 2.053 8.058 1.734 1.00 0.00 C ATOM 245 CD GLU A 15 0.561 8.461 1.764 1.00 0.00 C ATOM 246 OE1 GLU A 15 -0.163 8.142 2.744 1.00 0.00 O ATOM 247 OE2 GLU A 15 0.115 9.105 0.780 1.00 0.00 O ATOM 0 H GLU A 15 2.527 4.485 2.949 1.00 0.00 H new ATOM 0 HA GLU A 15 4.167 6.136 1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.669 5.964 1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.864 6.628 3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.634 8.772 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.423 8.107 0.710 1.00 0.00 H new ATOM 254 N ASP A 16 4.443 6.703 4.583 1.00 0.00 N ATOM 255 CA ASP A 16 5.302 7.224 5.645 1.00 0.00 C ATOM 256 C ASP A 16 6.726 6.680 5.558 1.00 0.00 C ATOM 257 O ASP A 16 7.675 7.437 5.738 1.00 0.00 O ATOM 258 CB ASP A 16 4.585 6.822 6.948 1.00 0.00 C ATOM 259 CG ASP A 16 5.345 6.734 8.273 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.425 6.102 8.298 1.00 0.00 O ATOM 261 OD2 ASP A 16 4.618 6.674 9.291 1.00 0.00 O ATOM 0 H ASP A 16 3.623 6.219 4.949 1.00 0.00 H new ATOM 0 HA ASP A 16 5.435 8.304 5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.769 7.530 7.095 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.132 5.846 6.775 1.00 0.00 H new ATOM 266 N MET A 17 6.881 5.383 5.282 1.00 0.00 N ATOM 267 CA MET A 17 8.189 4.749 5.290 1.00 0.00 C ATOM 268 C MET A 17 8.952 4.999 3.998 1.00 0.00 C ATOM 269 O MET A 17 10.138 5.301 4.079 1.00 0.00 O ATOM 270 CB MET A 17 8.084 3.240 5.551 1.00 0.00 C ATOM 271 CG MET A 17 7.683 2.965 7.004 1.00 0.00 C ATOM 272 SD MET A 17 7.592 1.232 7.578 1.00 0.00 S ATOM 273 CE MET A 17 7.571 0.275 6.032 1.00 0.00 C ATOM 0 H MET A 17 6.111 4.755 5.050 1.00 0.00 H new ATOM 0 HA MET A 17 8.746 5.206 6.108 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.349 2.800 4.877 1.00 0.00 H new ATOM 0 HB3 MET A 17 9.040 2.762 5.336 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.390 3.489 7.647 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.706 3.419 7.169 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.410 -0.779 6.259 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.766 0.636 5.392 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.525 0.394 5.518 1.00 0.00 H new ATOM 283 N VAL A 18 8.372 4.682 2.829 1.00 0.00 N ATOM 284 CA VAL A 18 9.093 4.907 1.579 1.00 0.00 C ATOM 285 C VAL A 18 9.383 6.409 1.405 1.00 0.00 C ATOM 286 O VAL A 18 10.414 6.776 0.850 1.00 0.00 O ATOM 287 CB VAL A 18 8.418 4.220 0.375 1.00 0.00 C ATOM 288 CG1 VAL A 18 7.248 4.980 -0.253 1.00 0.00 C ATOM 289 CG2 VAL A 18 9.460 3.786 -0.658 1.00 0.00 C ATOM 0 H VAL A 18 7.439 4.283 2.729 1.00 0.00 H new ATOM 0 HA VAL A 18 10.065 4.415 1.629 1.00 0.00 H new ATOM 0 HB VAL A 18 7.940 3.331 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.849 4.407 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.466 5.125 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.594 5.950 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.960 3.304 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.006 4.660 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.157 3.085 -0.199 1.00 0.00 H new ATOM 299 N GLY A 19 8.462 7.262 1.875 1.00 0.00 N ATOM 300 CA GLY A 19 8.530 8.703 1.738 1.00 0.00 C ATOM 301 C GLY A 19 8.093 9.137 0.329 1.00 0.00 C ATOM 302 O GLY A 19 7.361 8.407 -0.349 1.00 0.00 O ATOM 0 H GLY A 19 7.630 6.948 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.890 9.175 2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.547 9.044 1.930 1.00 0.00 H new ATOM 306 N PRO A 20 8.439 10.364 -0.100 1.00 0.00 N ATOM 307 CA PRO A 20 8.086 10.874 -1.410 1.00 0.00 C ATOM 308 C PRO A 20 8.946 10.223 -2.498 1.00 0.00 C ATOM 309 O PRO A 20 9.949 9.568 -2.234 1.00 0.00 O ATOM 310 CB PRO A 20 8.329 12.385 -1.325 1.00 0.00 C ATOM 311 CG PRO A 20 9.530 12.472 -0.389 1.00 0.00 C ATOM 312 CD PRO A 20 9.276 11.327 0.591 1.00 0.00 C ATOM 0 HA PRO A 20 7.053 10.650 -1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.544 12.817 -2.302 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.464 12.914 -0.926 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.471 12.345 -0.925 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.579 13.436 0.118 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.215 10.870 0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.783 11.691 1.492 1.00 0.00 H new ATOM 320 N GLN A 21 8.524 10.480 -3.732 1.00 0.00 N ATOM 321 CA GLN A 21 9.085 10.067 -5.023 1.00 0.00 C ATOM 322 C GLN A 21 9.908 8.760 -4.980 1.00 0.00 C ATOM 323 O GLN A 21 11.095 8.774 -5.306 1.00 0.00 O ATOM 324 CB GLN A 21 9.859 11.244 -5.656 1.00 0.00 C ATOM 325 CG GLN A 21 9.087 12.578 -5.688 1.00 0.00 C ATOM 326 CD GLN A 21 7.622 12.407 -6.084 1.00 0.00 C ATOM 327 OE1 GLN A 21 6.746 12.344 -5.228 1.00 0.00 O ATOM 328 NE2 GLN A 21 7.326 12.273 -7.367 1.00 0.00 N ATOM 0 H GLN A 21 7.687 11.046 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 21 8.243 9.811 -5.667 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.787 11.390 -5.104 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.134 10.974 -6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.140 13.047 -4.705 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.572 13.256 -6.391 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.064 12.327 -8.069 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.360 12.115 -7.654 1.00 0.00 H new ATOM 337 N PRO A 22 9.290 7.620 -4.620 1.00 0.00 N ATOM 338 CA PRO A 22 9.962 6.329 -4.589 1.00 0.00 C ATOM 339 C PRO A 22 10.067 5.735 -6.007 1.00 0.00 C ATOM 340 O PRO A 22 9.703 6.364 -7.002 1.00 0.00 O ATOM 341 CB PRO A 22 9.085 5.497 -3.661 1.00 0.00 C ATOM 342 CG PRO A 22 7.691 5.956 -4.048 1.00 0.00 C ATOM 343 CD PRO A 22 7.891 7.457 -4.242 1.00 0.00 C ATOM 0 HA PRO A 22 10.992 6.376 -4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.221 4.427 -3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.302 5.692 -2.611 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.340 5.470 -4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.960 5.739 -3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.228 7.844 -5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.666 8.004 -3.327 1.00 0.00 H new ATOM 351 N ASN A 23 10.444 4.458 -6.100 1.00 0.00 N ATOM 352 CA ASN A 23 10.614 3.704 -7.338 1.00 0.00 C ATOM 353 C ASN A 23 10.023 2.315 -7.106 1.00 0.00 C ATOM 354 O ASN A 23 10.091 1.779 -6.002 1.00 0.00 O ATOM 355 CB ASN A 23 12.101 3.604 -7.729 1.00 0.00 C ATOM 356 CG ASN A 23 12.917 2.821 -6.704 1.00 0.00 C ATOM 357 OD1 ASN A 23 13.041 3.243 -5.562 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.469 1.668 -7.053 1.00 0.00 N ATOM 0 H ASN A 23 10.648 3.897 -5.273 1.00 0.00 H new ATOM 0 HA ASN A 23 10.106 4.208 -8.160 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.187 3.123 -8.703 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.516 4.607 -7.831 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.000 1.129 -6.369 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.363 1.320 -8.006 1.00 0.00 H new ATOM 365 N GLU A 24 9.412 1.760 -8.154 1.00 0.00 N ATOM 366 CA GLU A 24 8.651 0.509 -8.165 1.00 0.00 C ATOM 367 C GLU A 24 9.244 -0.656 -7.364 1.00 0.00 C ATOM 368 O GLU A 24 8.479 -1.330 -6.669 1.00 0.00 O ATOM 369 CB GLU A 24 8.349 0.128 -9.622 1.00 0.00 C ATOM 370 CG GLU A 24 7.673 -1.248 -9.756 1.00 0.00 C ATOM 371 CD GLU A 24 6.753 -1.321 -10.969 1.00 0.00 C ATOM 372 OE1 GLU A 24 5.620 -0.791 -10.886 1.00 0.00 O ATOM 373 OE2 GLU A 24 7.094 -1.956 -11.988 1.00 0.00 O ATOM 0 H GLU A 24 9.437 2.199 -9.074 1.00 0.00 H new ATOM 0 HA GLU A 24 7.728 0.709 -7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.705 0.888 -10.064 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.278 0.127 -10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.438 -2.021 -9.835 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.099 -1.459 -8.854 1.00 0.00 H new ATOM 380 N ASP A 25 10.561 -0.890 -7.406 1.00 0.00 N ATOM 381 CA ASP A 25 11.146 -1.978 -6.615 1.00 0.00 C ATOM 382 C ASP A 25 10.982 -1.668 -5.136 1.00 0.00 C ATOM 383 O ASP A 25 10.343 -2.432 -4.415 1.00 0.00 O ATOM 384 CB ASP A 25 12.622 -2.245 -6.911 1.00 0.00 C ATOM 385 CG ASP A 25 13.092 -3.326 -5.927 1.00 0.00 C ATOM 386 OD1 ASP A 25 12.728 -4.498 -6.152 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.715 -2.953 -4.907 1.00 0.00 O ATOM 0 H ASP A 25 11.227 -0.356 -7.964 1.00 0.00 H new ATOM 0 HA ASP A 25 10.608 -2.883 -6.897 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.754 -2.578 -7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.209 -1.335 -6.792 1.00 0.00 H new ATOM 392 N THR A 26 11.480 -0.513 -4.696 1.00 0.00 N ATOM 393 CA THR A 26 11.439 -0.099 -3.307 1.00 0.00 C ATOM 394 C THR A 26 9.993 -0.103 -2.814 1.00 0.00 C ATOM 395 O THR A 26 9.736 -0.534 -1.695 1.00 0.00 O ATOM 396 CB THR A 26 12.089 1.284 -3.167 1.00 0.00 C ATOM 397 OG1 THR A 26 13.332 1.285 -3.836 1.00 0.00 O ATOM 398 CG2 THR A 26 12.378 1.626 -1.704 1.00 0.00 C ATOM 0 H THR A 26 11.929 0.167 -5.310 1.00 0.00 H new ATOM 0 HA THR A 26 12.002 -0.797 -2.688 1.00 0.00 H new ATOM 0 HB THR A 26 11.395 2.012 -3.587 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.439 2.127 -4.326 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.838 2.612 -1.645 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.446 1.626 -1.139 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.057 0.884 -1.284 1.00 0.00 H new ATOM 406 N VAL A 27 9.028 0.310 -3.642 1.00 0.00 N ATOM 407 CA VAL A 27 7.616 0.220 -3.292 1.00 0.00 C ATOM 408 C VAL A 27 7.219 -1.250 -3.121 1.00 0.00 C ATOM 409 O VAL A 27 6.595 -1.586 -2.118 1.00 0.00 O ATOM 410 CB VAL A 27 6.736 0.959 -4.323 1.00 0.00 C ATOM 411 CG1 VAL A 27 5.249 0.888 -3.937 1.00 0.00 C ATOM 412 CG2 VAL A 27 7.119 2.443 -4.413 1.00 0.00 C ATOM 0 H VAL A 27 9.206 0.711 -4.563 1.00 0.00 H new ATOM 0 HA VAL A 27 7.449 0.721 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 27 6.900 0.467 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.654 1.417 -4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.934 -0.154 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.104 1.351 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.483 2.939 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.984 2.913 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.162 2.532 -4.718 1.00 0.00 H new ATOM 422 N THR A 28 7.569 -2.135 -4.053 1.00 0.00 N ATOM 423 CA THR A 28 7.270 -3.560 -3.988 1.00 0.00 C ATOM 424 C THR A 28 7.820 -4.171 -2.694 1.00 0.00 C ATOM 425 O THR A 28 7.054 -4.801 -1.950 1.00 0.00 O ATOM 426 CB THR A 28 7.790 -4.245 -5.268 1.00 0.00 C ATOM 427 OG1 THR A 28 7.122 -3.679 -6.379 1.00 0.00 O ATOM 428 CG2 THR A 28 7.560 -5.761 -5.281 1.00 0.00 C ATOM 0 H THR A 28 8.081 -1.872 -4.895 1.00 0.00 H new ATOM 0 HA THR A 28 6.193 -3.721 -3.951 1.00 0.00 H new ATOM 0 HB THR A 28 8.867 -4.083 -5.309 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.432 -2.759 -6.513 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.949 -6.180 -6.209 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.075 -6.214 -4.434 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.492 -5.968 -5.209 1.00 0.00 H new ATOM 436 N GLN A 29 9.105 -3.978 -2.381 1.00 0.00 N ATOM 437 CA GLN A 29 9.700 -4.555 -1.182 1.00 0.00 C ATOM 438 C GLN A 29 9.124 -3.881 0.068 1.00 0.00 C ATOM 439 O GLN A 29 8.605 -4.572 0.950 1.00 0.00 O ATOM 440 CB GLN A 29 11.242 -4.551 -1.227 1.00 0.00 C ATOM 441 CG GLN A 29 11.953 -3.232 -1.552 1.00 0.00 C ATOM 442 CD GLN A 29 13.440 -3.305 -1.218 1.00 0.00 C ATOM 443 OE1 GLN A 29 13.799 -3.396 -0.048 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.318 -3.262 -2.204 1.00 0.00 N ATOM 0 H GLN A 29 9.750 -3.425 -2.945 1.00 0.00 H new ATOM 0 HA GLN A 29 9.429 -5.610 -1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.604 -4.895 -0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.556 -5.289 -1.965 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.827 -3.000 -2.609 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.492 -2.420 -0.990 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.997 -3.186 -3.169 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.316 -3.305 -2.000 1.00 0.00 H new ATOM 453 N ALA A 30 9.136 -2.547 0.142 1.00 0.00 N ATOM 454 CA ALA A 30 8.703 -1.821 1.325 1.00 0.00 C ATOM 455 C ALA A 30 7.225 -2.065 1.612 1.00 0.00 C ATOM 456 O ALA A 30 6.867 -2.097 2.783 1.00 0.00 O ATOM 457 CB ALA A 30 8.989 -0.319 1.203 1.00 0.00 C ATOM 0 H ALA A 30 9.448 -1.946 -0.621 1.00 0.00 H new ATOM 0 HA ALA A 30 9.281 -2.203 2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.652 0.190 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.060 -0.162 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.459 0.083 0.340 1.00 0.00 H new ATOM 463 N ALA A 31 6.365 -2.250 0.604 1.00 0.00 N ATOM 464 CA ALA A 31 4.938 -2.510 0.769 1.00 0.00 C ATOM 465 C ALA A 31 4.692 -3.980 1.102 1.00 0.00 C ATOM 466 O ALA A 31 3.951 -4.272 2.034 1.00 0.00 O ATOM 467 CB ALA A 31 4.158 -2.112 -0.489 1.00 0.00 C ATOM 0 H ALA A 31 6.654 -2.221 -0.374 1.00 0.00 H new ATOM 0 HA ALA A 31 4.581 -1.901 1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.098 -2.316 -0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.299 -1.049 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.522 -2.688 -1.340 1.00 0.00 H new ATOM 473 N SER A 32 5.266 -4.943 0.381 1.00 0.00 N ATOM 474 CA SER A 32 5.108 -6.346 0.785 1.00 0.00 C ATOM 475 C SER A 32 5.592 -6.566 2.221 1.00 0.00 C ATOM 476 O SER A 32 4.998 -7.378 2.946 1.00 0.00 O ATOM 477 CB SER A 32 5.743 -7.287 -0.242 1.00 0.00 C ATOM 478 OG SER A 32 7.112 -7.016 -0.419 1.00 0.00 O ATOM 0 H SER A 32 5.826 -4.790 -0.458 1.00 0.00 H new ATOM 0 HA SER A 32 4.047 -6.595 0.795 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.615 -8.320 0.083 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.226 -7.187 -1.196 1.00 0.00 H new ATOM 0 HG SER A 32 7.220 -6.284 -1.062 1.00 0.00 H new ATOM 484 N GLN A 33 6.577 -5.787 2.669 1.00 0.00 N ATOM 485 CA GLN A 33 7.040 -5.791 4.040 1.00 0.00 C ATOM 486 C GLN A 33 6.265 -4.798 4.914 1.00 0.00 C ATOM 487 O GLN A 33 6.255 -5.006 6.123 1.00 0.00 O ATOM 488 CB GLN A 33 8.572 -5.706 4.126 1.00 0.00 C ATOM 489 CG GLN A 33 9.238 -6.993 3.585 1.00 0.00 C ATOM 490 CD GLN A 33 8.787 -8.246 4.349 1.00 0.00 C ATOM 491 OE1 GLN A 33 7.867 -8.955 3.931 1.00 0.00 O ATOM 492 NE2 GLN A 33 9.338 -8.480 5.531 1.00 0.00 N ATOM 0 H GLN A 33 7.078 -5.128 2.073 1.00 0.00 H new ATOM 0 HA GLN A 33 6.805 -6.760 4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.923 -4.845 3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.872 -5.547 5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.997 -7.108 2.528 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.321 -6.897 3.656 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.098 -7.887 5.866 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.003 -9.253 6.106 1.00 0.00 H new ATOM 501 N VAL A 34 5.548 -3.794 4.382 1.00 0.00 N ATOM 502 CA VAL A 34 4.704 -2.901 5.192 1.00 0.00 C ATOM 503 C VAL A 34 3.691 -3.798 5.890 1.00 0.00 C ATOM 504 O VAL A 34 3.435 -3.663 7.081 1.00 0.00 O ATOM 505 CB VAL A 34 3.948 -1.801 4.397 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.616 -2.099 3.667 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.687 -0.612 5.300 1.00 0.00 C ATOM 0 H VAL A 34 5.537 -3.580 3.385 1.00 0.00 H new ATOM 0 HA VAL A 34 5.355 -2.352 5.872 1.00 0.00 H new ATOM 0 HB VAL A 34 4.651 -1.651 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.260 -1.193 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.776 -2.877 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.873 -2.437 4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.157 0.159 4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.081 -0.927 6.150 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.636 -0.213 5.659 1.00 0.00 H new ATOM 517 N CYS A 35 3.193 -4.785 5.146 1.00 0.00 N ATOM 518 CA CYS A 35 2.213 -5.736 5.592 1.00 0.00 C ATOM 519 C CYS A 35 2.846 -6.627 6.631 1.00 0.00 C ATOM 520 O CYS A 35 2.234 -6.927 7.644 1.00 0.00 O ATOM 521 CB CYS A 35 1.851 -6.626 4.403 1.00 0.00 C ATOM 522 SG CYS A 35 1.234 -5.789 2.940 1.00 0.00 S ATOM 0 H CYS A 35 3.482 -4.938 4.180 1.00 0.00 H new ATOM 0 HA CYS A 35 1.341 -5.221 5.995 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.735 -7.198 4.122 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.098 -7.343 4.730 1.00 0.00 H new ATOM 527 N ASP A 36 4.015 -7.160 6.296 1.00 0.00 N ATOM 528 CA ASP A 36 4.762 -8.051 7.166 1.00 0.00 C ATOM 529 C ASP A 36 4.947 -7.432 8.565 1.00 0.00 C ATOM 530 O ASP A 36 4.690 -8.062 9.590 1.00 0.00 O ATOM 531 CB ASP A 36 6.073 -8.384 6.477 1.00 0.00 C ATOM 532 CG ASP A 36 6.616 -9.679 7.033 1.00 0.00 C ATOM 533 OD1 ASP A 36 5.894 -10.675 6.780 1.00 0.00 O ATOM 534 OD2 ASP A 36 7.714 -9.727 7.609 1.00 0.00 O ATOM 0 H ASP A 36 4.473 -6.982 5.402 1.00 0.00 H new ATOM 0 HA ASP A 36 4.215 -8.979 7.335 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.919 -8.473 5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.792 -7.579 6.631 1.00 0.00 H new ATOM 539 N LYS A 37 5.332 -6.149 8.566 1.00 0.00 N ATOM 540 CA LYS A 37 5.669 -5.275 9.691 1.00 0.00 C ATOM 541 C LYS A 37 4.396 -4.868 10.443 1.00 0.00 C ATOM 542 O LYS A 37 4.405 -4.805 11.677 1.00 0.00 O ATOM 543 CB LYS A 37 6.438 -4.081 9.080 1.00 0.00 C ATOM 544 CG LYS A 37 7.257 -3.166 10.005 1.00 0.00 C ATOM 545 CD LYS A 37 8.035 -2.157 9.127 1.00 0.00 C ATOM 546 CE LYS A 37 9.088 -1.353 9.907 1.00 0.00 C ATOM 547 NZ LYS A 37 9.865 -0.420 9.048 1.00 0.00 N ATOM 0 H LYS A 37 5.424 -5.647 7.683 1.00 0.00 H new ATOM 0 HA LYS A 37 6.294 -5.764 10.438 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.117 -4.479 8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.713 -3.456 8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.600 -2.639 10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.947 -3.756 10.608 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.527 -2.695 8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.328 -1.466 8.668 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.593 -0.785 10.694 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.775 -2.044 10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.301 0.316 9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.609 -0.947 8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.230 0.025 8.355 1.00 0.00 H new ATOM 561 N LEU A 38 3.296 -4.606 9.726 1.00 0.00 N ATOM 562 CA LEU A 38 1.974 -4.334 10.280 1.00 0.00 C ATOM 563 C LEU A 38 1.475 -5.694 10.774 1.00 0.00 C ATOM 564 O LEU A 38 0.738 -6.400 10.082 1.00 0.00 O ATOM 565 CB LEU A 38 1.005 -3.776 9.207 1.00 0.00 C ATOM 566 CG LEU A 38 1.180 -2.299 8.796 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.468 -2.053 7.457 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.588 -1.329 9.827 1.00 0.00 C ATOM 0 H LEU A 38 3.308 -4.578 8.706 1.00 0.00 H new ATOM 0 HA LEU A 38 2.021 -3.582 11.068 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.104 -4.389 8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.014 -3.906 9.572 1.00 0.00 H new ATOM 0 HG LEU A 38 2.252 -2.115 8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.591 -1.010 7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.900 -2.697 6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.593 -2.277 7.563 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.738 -0.303 9.490 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.479 -1.522 9.938 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.084 -1.471 10.787 1.00 0.00 H new ATOM 580 N LYS A 39 1.774 -6.040 12.028 1.00 0.00 N ATOM 581 CA LYS A 39 1.448 -7.381 12.504 1.00 0.00 C ATOM 582 C LYS A 39 -0.049 -7.401 12.803 1.00 0.00 C ATOM 583 O LYS A 39 -0.663 -6.350 12.977 1.00 0.00 O ATOM 584 CB LYS A 39 2.332 -7.792 13.701 1.00 0.00 C ATOM 585 CG LYS A 39 2.190 -7.000 15.020 1.00 0.00 C ATOM 586 CD LYS A 39 2.800 -5.584 15.059 1.00 0.00 C ATOM 587 CE LYS A 39 4.309 -5.516 14.754 1.00 0.00 C ATOM 588 NZ LYS A 39 5.149 -6.139 15.809 1.00 0.00 N ATOM 0 H LYS A 39 2.226 -5.432 12.711 1.00 0.00 H new ATOM 0 HA LYS A 39 1.665 -8.133 11.745 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.130 -8.841 13.919 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.373 -7.727 13.384 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.128 -6.917 15.252 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.646 -7.587 15.818 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.271 -4.957 14.341 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.625 -5.156 16.046 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.504 -6.013 13.804 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.602 -4.473 14.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.152 -6.061 15.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.990 -5.650 16.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.894 -7.142 15.908 1.00 0.00 H new ATOM 602 N ILE A 40 -0.631 -8.604 12.825 1.00 0.00 N ATOM 603 CA ILE A 40 -2.067 -8.886 12.943 1.00 0.00 C ATOM 604 C ILE A 40 -2.682 -8.574 11.569 1.00 0.00 C ATOM 605 O ILE A 40 -3.158 -9.476 10.880 1.00 0.00 O ATOM 606 CB ILE A 40 -2.780 -8.164 14.124 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.105 -8.424 15.491 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.276 -8.523 14.174 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.007 -9.896 15.914 1.00 0.00 C ATOM 0 H ILE A 40 -0.080 -9.459 12.757 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.214 -9.934 13.206 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.684 -7.096 13.929 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.099 -8.005 15.465 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.657 -7.880 16.258 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.747 -8.004 15.009 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.754 -8.221 13.242 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.388 -9.599 14.306 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.518 -9.964 16.886 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.008 -10.323 15.981 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.426 -10.449 15.176 1.00 0.00 H new ATOM 621 N LEU A 41 -2.528 -7.343 11.073 1.00 0.00 N ATOM 622 CA LEU A 41 -3.166 -6.865 9.845 1.00 0.00 C ATOM 623 C LEU A 41 -2.367 -7.272 8.580 1.00 0.00 C ATOM 624 O LEU A 41 -2.769 -7.011 7.442 1.00 0.00 O ATOM 625 CB LEU A 41 -3.338 -5.343 10.057 1.00 0.00 C ATOM 626 CG LEU A 41 -4.377 -4.565 9.226 1.00 0.00 C ATOM 627 CD1 LEU A 41 -3.732 -3.861 8.038 1.00 0.00 C ATOM 628 CD2 LEU A 41 -5.589 -5.393 8.787 1.00 0.00 C ATOM 0 H LEU A 41 -1.945 -6.638 11.523 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.138 -7.322 9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.580 -5.187 11.108 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.368 -4.879 9.881 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.773 -3.811 9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.495 -3.323 7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.981 -3.157 8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.258 -4.599 7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.267 -4.766 8.208 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.255 -6.230 8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.108 -5.773 9.667 1.00 0.00 H new ATOM 640 N ARG A 42 -1.347 -8.117 8.777 1.00 0.00 N ATOM 641 CA ARG A 42 -0.484 -8.795 7.804 1.00 0.00 C ATOM 642 C ARG A 42 -1.384 -9.631 6.905 1.00 0.00 C ATOM 643 O ARG A 42 -1.208 -9.601 5.691 1.00 0.00 O ATOM 644 CB ARG A 42 0.507 -9.638 8.646 1.00 0.00 C ATOM 645 CG ARG A 42 1.664 -10.369 7.935 1.00 0.00 C ATOM 646 CD ARG A 42 2.601 -10.958 9.019 1.00 0.00 C ATOM 647 NE ARG A 42 3.879 -11.513 8.520 1.00 0.00 N ATOM 648 CZ ARG A 42 4.679 -12.394 9.145 1.00 0.00 C ATOM 649 NH1 ARG A 42 4.241 -13.118 10.176 1.00 0.00 N ATOM 650 NH2 ARG A 42 5.931 -12.547 8.732 1.00 0.00 N ATOM 0 H ARG A 42 -1.078 -8.369 9.728 1.00 0.00 H new ATOM 0 HA ARG A 42 0.085 -8.130 7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.946 -8.978 9.394 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.074 -10.387 9.184 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.277 -11.162 7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.212 -9.680 7.292 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.823 -10.177 9.746 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.065 -11.745 9.550 1.00 0.00 H new ATOM 0 HE ARG A 42 4.186 -11.192 7.602 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.282 -13.009 10.505 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.865 -13.781 10.636 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.279 -11.998 7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.545 -13.213 9.201 1.00 0.00 H new ATOM 664 N GLY A 43 -2.386 -10.316 7.465 1.00 0.00 N ATOM 665 CA GLY A 43 -3.302 -11.158 6.707 1.00 0.00 C ATOM 666 C GLY A 43 -4.118 -10.412 5.645 1.00 0.00 C ATOM 667 O GLY A 43 -4.481 -11.023 4.631 1.00 0.00 O ATOM 0 H GLY A 43 -2.581 -10.298 8.466 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.731 -11.948 6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.989 -11.643 7.401 1.00 0.00 H new ATOM 671 N LEU A 44 -4.481 -9.137 5.868 1.00 0.00 N ATOM 672 CA LEU A 44 -5.195 -8.366 4.856 1.00 0.00 C ATOM 673 C LEU A 44 -4.196 -7.822 3.846 1.00 0.00 C ATOM 674 O LEU A 44 -4.239 -8.207 2.682 1.00 0.00 O ATOM 675 CB LEU A 44 -6.056 -7.257 5.490 1.00 0.00 C ATOM 676 CG LEU A 44 -7.171 -6.806 4.524 1.00 0.00 C ATOM 677 CD1 LEU A 44 -8.377 -7.751 4.613 1.00 0.00 C ATOM 678 CD2 LEU A 44 -7.643 -5.389 4.845 1.00 0.00 C ATOM 0 H LEU A 44 -4.291 -8.630 6.732 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.893 -9.019 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.498 -7.620 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.427 -6.405 5.748 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.752 -6.828 3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.153 -7.416 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.068 -8.762 4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.768 -7.747 5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.429 -5.100 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.032 -5.357 5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.805 -4.697 4.755 1.00 0.00 H new ATOM 690 N CYS A 45 -3.258 -6.991 4.306 1.00 0.00 N ATOM 691 CA CYS A 45 -2.225 -6.368 3.517 1.00 0.00 C ATOM 692 C CYS A 45 -1.499 -7.358 2.602 1.00 0.00 C ATOM 693 O CYS A 45 -1.502 -7.147 1.394 1.00 0.00 O ATOM 694 CB CYS A 45 -1.315 -5.640 4.503 1.00 0.00 C ATOM 695 SG CYS A 45 -0.107 -4.534 3.759 1.00 0.00 S ATOM 0 H CYS A 45 -3.207 -6.730 5.291 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.645 -5.653 2.809 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.936 -5.064 5.189 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.785 -6.382 5.100 1.00 0.00 H new ATOM 700 N LYS A 46 -0.918 -8.451 3.123 1.00 0.00 N ATOM 701 CA LYS A 46 -0.187 -9.419 2.289 1.00 0.00 C ATOM 702 C LYS A 46 -1.078 -9.921 1.148 1.00 0.00 C ATOM 703 O LYS A 46 -0.601 -10.079 0.025 1.00 0.00 O ATOM 704 CB LYS A 46 0.327 -10.626 3.109 1.00 0.00 C ATOM 705 CG LYS A 46 1.503 -10.396 4.086 1.00 0.00 C ATOM 706 CD LYS A 46 2.827 -10.066 3.378 1.00 0.00 C ATOM 707 CE LYS A 46 4.069 -10.364 4.245 1.00 0.00 C ATOM 708 NZ LYS A 46 5.356 -10.114 3.545 1.00 0.00 N ATOM 0 H LYS A 46 -0.940 -8.686 4.115 1.00 0.00 H new ATOM 0 HA LYS A 46 0.678 -8.897 1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.511 -11.020 3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.625 -11.404 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.249 -9.581 4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.638 -11.288 4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.891 -10.640 2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.830 -9.012 3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.029 -9.751 5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.036 -11.405 4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.137 -10.152 4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.501 -10.840 2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.332 -9.175 3.100 1.00 0.00 H new ATOM 722 N LYS A 47 -2.367 -10.165 1.418 1.00 0.00 N ATOM 723 CA LYS A 47 -3.295 -10.639 0.401 1.00 0.00 C ATOM 724 C LYS A 47 -3.553 -9.543 -0.636 1.00 0.00 C ATOM 725 O LYS A 47 -3.499 -9.841 -1.824 1.00 0.00 O ATOM 726 CB LYS A 47 -4.555 -11.179 1.094 1.00 0.00 C ATOM 727 CG LYS A 47 -5.596 -11.741 0.118 1.00 0.00 C ATOM 728 CD LYS A 47 -6.586 -12.718 0.777 1.00 0.00 C ATOM 729 CE LYS A 47 -7.336 -12.170 2.006 1.00 0.00 C ATOM 730 NZ LYS A 47 -6.615 -12.385 3.288 1.00 0.00 N ATOM 0 H LYS A 47 -2.786 -10.039 2.339 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.873 -11.468 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.267 -11.961 1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.010 -10.379 1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.152 -10.914 -0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.082 -12.251 -0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.320 -13.023 0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.042 -13.614 1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.508 -11.102 1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.315 -12.645 2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.291 -12.348 4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.150 -13.315 3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.898 -11.642 3.412 1.00 0.00 H new ATOM 744 N ILE A 48 -3.785 -8.295 -0.214 1.00 0.00 N ATOM 745 CA ILE A 48 -3.963 -7.151 -1.113 1.00 0.00 C ATOM 746 C ILE A 48 -2.745 -7.026 -2.038 1.00 0.00 C ATOM 747 O ILE A 48 -2.927 -6.888 -3.244 1.00 0.00 O ATOM 748 CB ILE A 48 -4.255 -5.855 -0.308 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.640 -5.953 0.377 1.00 0.00 C ATOM 750 CG2 ILE A 48 -4.208 -4.599 -1.202 1.00 0.00 C ATOM 751 CD1 ILE A 48 -5.877 -4.892 1.460 1.00 0.00 C ATOM 0 H ILE A 48 -3.855 -8.049 0.773 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.835 -7.313 -1.747 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.475 -5.759 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.417 -5.862 -0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.744 -6.942 0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.418 -3.715 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.218 -4.507 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.955 -4.686 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.869 -5.028 1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.124 -4.995 2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.807 -3.898 1.017 1.00 0.00 H new ATOM 763 N MET A 49 -1.523 -7.113 -1.501 1.00 0.00 N ATOM 764 CA MET A 49 -0.298 -7.010 -2.293 1.00 0.00 C ATOM 765 C MET A 49 -0.258 -8.098 -3.363 1.00 0.00 C ATOM 766 O MET A 49 -0.039 -7.776 -4.524 1.00 0.00 O ATOM 767 CB MET A 49 0.950 -7.055 -1.394 1.00 0.00 C ATOM 768 CG MET A 49 1.031 -5.862 -0.435 1.00 0.00 C ATOM 769 SD MET A 49 0.933 -4.220 -1.189 1.00 0.00 S ATOM 770 CE MET A 49 0.632 -3.214 0.292 1.00 0.00 C ATOM 0 H MET A 49 -1.358 -7.257 -0.505 1.00 0.00 H new ATOM 0 HA MET A 49 -0.297 -6.044 -2.798 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.944 -7.980 -0.817 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.843 -7.075 -2.019 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.225 -5.953 0.293 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.968 -5.930 0.117 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.545 -2.165 0.008 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.292 -3.538 0.770 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.462 -3.334 0.988 1.00 0.00 H new ATOM 780 N ARG A 50 -0.511 -9.372 -3.028 1.00 0.00 N ATOM 781 CA ARG A 50 -0.532 -10.428 -4.052 1.00 0.00 C ATOM 782 C ARG A 50 -1.613 -10.099 -5.095 1.00 0.00 C ATOM 783 O ARG A 50 -1.391 -10.298 -6.287 1.00 0.00 O ATOM 784 CB ARG A 50 -0.755 -11.809 -3.394 1.00 0.00 C ATOM 785 CG ARG A 50 -0.309 -13.048 -4.209 1.00 0.00 C ATOM 786 CD ARG A 50 -0.829 -13.114 -5.652 1.00 0.00 C ATOM 787 NE ARG A 50 -0.623 -14.418 -6.308 1.00 0.00 N ATOM 788 CZ ARG A 50 -0.902 -14.661 -7.600 1.00 0.00 C ATOM 789 NH1 ARG A 50 -1.392 -13.691 -8.375 1.00 0.00 N ATOM 790 NH2 ARG A 50 -0.692 -15.873 -8.111 1.00 0.00 N ATOM 0 H ARG A 50 -0.700 -9.692 -2.078 1.00 0.00 H new ATOM 0 HA ARG A 50 0.429 -10.472 -4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.227 -11.821 -2.441 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.817 -11.912 -3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.780 -13.072 -4.233 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.636 -13.944 -3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.894 -12.883 -5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.334 -12.341 -6.241 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.246 -15.182 -5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.556 -12.762 -7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.603 -13.879 -9.355 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.319 -16.617 -7.522 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.904 -16.057 -9.092 1.00 0.00 H new ATOM 804 N SER A 51 -2.781 -9.642 -4.650 1.00 0.00 N ATOM 805 CA SER A 51 -3.932 -9.394 -5.500 1.00 0.00 C ATOM 806 C SER A 51 -3.659 -8.293 -6.529 1.00 0.00 C ATOM 807 O SER A 51 -3.891 -8.510 -7.716 1.00 0.00 O ATOM 808 CB SER A 51 -5.135 -9.043 -4.609 1.00 0.00 C ATOM 809 OG SER A 51 -6.369 -9.209 -5.273 1.00 0.00 O ATOM 0 H SER A 51 -2.952 -9.431 -3.667 1.00 0.00 H new ATOM 0 HA SER A 51 -4.151 -10.295 -6.072 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.118 -9.671 -3.719 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.044 -8.010 -4.272 1.00 0.00 H new ATOM 0 HG SER A 51 -6.709 -8.334 -5.555 1.00 0.00 H new ATOM 815 N PHE A 52 -3.154 -7.128 -6.105 1.00 0.00 N ATOM 816 CA PHE A 52 -2.995 -5.970 -6.980 1.00 0.00 C ATOM 817 C PHE A 52 -1.633 -5.282 -6.800 1.00 0.00 C ATOM 818 O PHE A 52 -1.582 -4.059 -6.680 1.00 0.00 O ATOM 819 CB PHE A 52 -4.169 -4.993 -6.724 1.00 0.00 C ATOM 820 CG PHE A 52 -5.563 -5.586 -6.582 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.125 -6.343 -7.628 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.301 -5.382 -5.399 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.409 -6.898 -7.490 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.590 -5.927 -5.267 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.146 -6.684 -6.312 1.00 0.00 C ATOM 0 H PHE A 52 -2.846 -6.966 -5.146 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.018 -6.306 -8.017 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.948 -4.434 -5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.192 -4.274 -7.543 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.567 -6.498 -8.540 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.875 -4.805 -4.591 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.830 -7.489 -8.290 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.154 -5.764 -4.361 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.137 -7.101 -6.211 1.00 0.00 H new ATOM 835 N LEU A 53 -0.514 -6.011 -6.893 1.00 0.00 N ATOM 836 CA LEU A 53 0.813 -5.457 -6.596 1.00 0.00 C ATOM 837 C LEU A 53 1.096 -4.252 -7.502 1.00 0.00 C ATOM 838 O LEU A 53 1.286 -3.140 -7.015 1.00 0.00 O ATOM 839 CB LEU A 53 1.900 -6.542 -6.763 1.00 0.00 C ATOM 840 CG LEU A 53 3.227 -6.273 -6.014 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.759 -4.843 -6.120 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.079 -6.608 -4.526 1.00 0.00 C ATOM 0 H LEU A 53 -0.502 -6.992 -7.173 1.00 0.00 H new ATOM 0 HA LEU A 53 0.831 -5.119 -5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.495 -7.494 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.118 -6.653 -7.825 1.00 0.00 H new ATOM 0 HG LEU A 53 3.950 -6.920 -6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.691 -4.759 -5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.940 -4.599 -7.167 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.025 -4.150 -5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.021 -6.413 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.294 -5.990 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.816 -7.660 -4.414 1.00 0.00 H new ATOM 854 N ARG A 54 1.073 -4.446 -8.825 1.00 0.00 N ATOM 855 CA ARG A 54 1.318 -3.362 -9.779 1.00 0.00 C ATOM 856 C ARG A 54 0.392 -2.164 -9.555 1.00 0.00 C ATOM 857 O ARG A 54 0.804 -1.039 -9.831 1.00 0.00 O ATOM 858 CB ARG A 54 1.257 -3.892 -11.224 1.00 0.00 C ATOM 859 CG ARG A 54 1.539 -2.790 -12.266 1.00 0.00 C ATOM 860 CD ARG A 54 2.015 -3.300 -13.642 1.00 0.00 C ATOM 861 NE ARG A 54 3.373 -3.884 -13.613 1.00 0.00 N ATOM 862 CZ ARG A 54 4.512 -3.226 -13.339 1.00 0.00 C ATOM 863 NH1 ARG A 54 4.514 -1.914 -13.155 1.00 0.00 N ATOM 864 NH2 ARG A 54 5.659 -3.881 -13.222 1.00 0.00 N ATOM 0 H ARG A 54 0.886 -5.349 -9.260 1.00 0.00 H new ATOM 0 HA ARG A 54 2.327 -2.987 -9.605 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.983 -4.696 -11.344 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.272 -4.321 -11.410 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.631 -2.203 -12.407 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.295 -2.116 -11.864 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.313 -4.050 -14.006 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.997 -2.474 -14.353 1.00 0.00 H new ATOM 0 HE ARG A 54 3.453 -4.880 -13.820 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.642 -1.388 -13.221 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.387 -1.429 -12.948 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.682 -4.894 -13.340 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.518 -3.372 -13.014 1.00 0.00 H new ATOM 878 N ARG A 55 -0.839 -2.349 -9.055 1.00 0.00 N ATOM 879 CA ARG A 55 -1.669 -1.219 -8.730 1.00 0.00 C ATOM 880 C ARG A 55 -1.062 -0.471 -7.531 1.00 0.00 C ATOM 881 O ARG A 55 -0.903 0.737 -7.618 1.00 0.00 O ATOM 882 CB ARG A 55 -3.119 -1.645 -8.459 1.00 0.00 C ATOM 883 CG ARG A 55 -3.983 -2.152 -9.638 1.00 0.00 C ATOM 884 CD ARG A 55 -4.254 -1.196 -10.825 1.00 0.00 C ATOM 885 NE ARG A 55 -5.097 -0.021 -10.506 1.00 0.00 N ATOM 886 CZ ARG A 55 -6.424 0.164 -10.646 1.00 0.00 C ATOM 887 NH1 ARG A 55 -7.218 -0.825 -11.050 1.00 0.00 N ATOM 888 NH2 ARG A 55 -6.956 1.348 -10.358 1.00 0.00 N ATOM 0 H ARG A 55 -1.261 -3.260 -8.875 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.701 -0.544 -9.585 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.096 -2.432 -7.705 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.635 -0.794 -8.015 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.506 -3.047 -10.037 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.948 -2.458 -9.233 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.298 -0.843 -11.213 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.733 -1.761 -11.624 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.592 0.776 -10.118 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.824 -1.742 -11.259 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.221 -0.666 -11.150 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.360 2.109 -10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.960 1.495 -10.462 1.00 0.00 H new ATOM 902 N ILE A 56 -0.695 -1.131 -6.432 1.00 0.00 N ATOM 903 CA ILE A 56 -0.076 -0.439 -5.291 1.00 0.00 C ATOM 904 C ILE A 56 1.192 0.317 -5.725 1.00 0.00 C ATOM 905 O ILE A 56 1.458 1.384 -5.174 1.00 0.00 O ATOM 906 CB ILE A 56 0.105 -1.405 -4.093 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.208 -1.564 -3.283 1.00 0.00 C ATOM 908 CG2 ILE A 56 1.194 -0.946 -3.105 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.466 -1.949 -4.069 1.00 0.00 C ATOM 0 H ILE A 56 -0.813 -2.136 -6.304 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.747 0.338 -4.924 1.00 0.00 H new ATOM 0 HB ILE A 56 0.401 -2.352 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.043 -2.320 -2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.405 -0.624 -2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.272 -1.665 -2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.151 -0.880 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.931 0.032 -2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.312 -2.027 -3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.674 -1.186 -4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.308 -2.908 -4.562 1.00 0.00 H new ATOM 921 N SER A 57 1.899 -0.137 -6.764 1.00 0.00 N ATOM 922 CA SER A 57 3.031 0.610 -7.290 1.00 0.00 C ATOM 923 C SER A 57 2.517 1.898 -7.947 1.00 0.00 C ATOM 924 O SER A 57 2.862 2.981 -7.477 1.00 0.00 O ATOM 925 CB SER A 57 3.822 -0.277 -8.257 1.00 0.00 C ATOM 926 OG SER A 57 4.992 0.376 -8.675 1.00 0.00 O ATOM 0 H SER A 57 1.705 -1.012 -7.250 1.00 0.00 H new ATOM 0 HA SER A 57 3.714 0.900 -6.492 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.077 -1.218 -7.771 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.206 -0.522 -9.122 1.00 0.00 H new ATOM 0 HG SER A 57 5.212 0.100 -9.589 1.00 0.00 H new ATOM 932 N TRP A 58 1.623 1.809 -8.947 1.00 0.00 N ATOM 933 CA TRP A 58 0.978 2.970 -9.576 1.00 0.00 C ATOM 934 C TRP A 58 0.469 3.960 -8.523 1.00 0.00 C ATOM 935 O TRP A 58 0.704 5.160 -8.647 1.00 0.00 O ATOM 936 CB TRP A 58 -0.149 2.536 -10.542 1.00 0.00 C ATOM 937 CG TRP A 58 -1.404 3.376 -10.528 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.534 4.637 -10.993 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.677 3.088 -9.881 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.792 5.128 -10.693 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.529 4.223 -9.957 1.00 0.00 C ATOM 942 CE3 TRP A 58 -3.173 1.985 -9.177 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.793 4.243 -9.334 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.394 2.007 -8.509 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.211 3.133 -8.572 1.00 0.00 C ATOM 0 H TRP A 58 1.326 0.918 -9.344 1.00 0.00 H new ATOM 0 HA TRP A 58 1.732 3.485 -10.171 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.251 2.536 -11.556 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.423 1.508 -10.307 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.767 5.183 -11.522 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.133 6.046 -10.980 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.584 1.080 -9.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.437 5.103 -9.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.710 1.146 -7.939 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.153 3.156 -8.044 1.00 0.00 H new ATOM 956 N ASP A 59 -0.252 3.463 -7.517 1.00 0.00 N ATOM 957 CA ASP A 59 -0.874 4.247 -6.460 1.00 0.00 C ATOM 958 C ASP A 59 0.135 5.196 -5.825 1.00 0.00 C ATOM 959 O ASP A 59 -0.084 6.407 -5.780 1.00 0.00 O ATOM 960 CB ASP A 59 -1.454 3.322 -5.372 1.00 0.00 C ATOM 961 CG ASP A 59 -2.804 2.733 -5.730 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.708 3.492 -6.117 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.120 1.430 -5.542 1.00 0.00 O ATOM 0 H ASP A 59 -0.423 2.462 -7.416 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.679 4.830 -6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.751 2.510 -5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.547 3.883 -4.442 1.00 0.00 H new ATOM 969 N ILE A 60 1.200 4.619 -5.271 1.00 0.00 N ATOM 970 CA ILE A 60 2.296 5.328 -4.635 1.00 0.00 C ATOM 971 C ILE A 60 3.004 6.244 -5.640 1.00 0.00 C ATOM 972 O ILE A 60 3.172 7.424 -5.353 1.00 0.00 O ATOM 973 CB ILE A 60 3.198 4.292 -3.933 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.672 3.838 -2.554 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.606 4.827 -3.682 1.00 0.00 C ATOM 976 CD1 ILE A 60 1.192 3.486 -2.417 1.00 0.00 C ATOM 0 H ILE A 60 1.323 3.607 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 60 1.942 6.010 -3.861 1.00 0.00 H new ATOM 0 HB ILE A 60 3.202 3.452 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.250 2.965 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.892 4.630 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.203 4.062 -3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.070 5.090 -4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.551 5.712 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.983 3.187 -1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.586 4.355 -2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.950 2.664 -3.091 1.00 0.00 H new ATOM 988 N LEU A 61 3.425 5.724 -6.798 1.00 0.00 N ATOM 989 CA LEU A 61 4.197 6.470 -7.797 1.00 0.00 C ATOM 990 C LEU A 61 3.442 7.701 -8.312 1.00 0.00 C ATOM 991 O LEU A 61 4.056 8.740 -8.528 1.00 0.00 O ATOM 992 CB LEU A 61 4.573 5.561 -8.982 1.00 0.00 C ATOM 993 CG LEU A 61 5.552 4.414 -8.656 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.595 3.445 -9.841 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.980 4.887 -8.366 1.00 0.00 C ATOM 0 H LEU A 61 3.236 4.760 -7.071 1.00 0.00 H new ATOM 0 HA LEU A 61 5.104 6.816 -7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.659 5.130 -9.391 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.012 6.178 -9.766 1.00 0.00 H new ATOM 0 HG LEU A 61 5.181 3.936 -7.749 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.285 2.630 -9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.598 3.039 -10.016 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.933 3.975 -10.732 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.611 4.026 -8.145 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.373 5.411 -9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.973 5.561 -7.509 1.00 0.00 H new ATOM 1007 N THR A 62 2.118 7.625 -8.487 1.00 0.00 N ATOM 1008 CA THR A 62 1.288 8.776 -8.866 1.00 0.00 C ATOM 1009 C THR A 62 0.947 9.670 -7.659 1.00 0.00 C ATOM 1010 O THR A 62 0.061 10.520 -7.745 1.00 0.00 O ATOM 1011 CB THR A 62 0.039 8.328 -9.656 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.759 7.367 -8.984 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.430 7.750 -11.021 1.00 0.00 C ATOM 0 H THR A 62 1.589 6.761 -8.370 1.00 0.00 H new ATOM 0 HA THR A 62 1.877 9.401 -9.537 1.00 0.00 H new ATOM 0 HB THR A 62 -0.555 9.235 -9.769 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.317 6.493 -9.019 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.468 7.442 -11.557 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.956 8.509 -11.600 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.081 6.887 -10.878 1.00 0.00 H new ATOM 1021 N GLY A 63 1.625 9.464 -6.525 1.00 0.00 N ATOM 1022 CA GLY A 63 1.416 10.093 -5.235 1.00 0.00 C ATOM 1023 C GLY A 63 -0.056 10.248 -4.891 1.00 0.00 C ATOM 1024 O GLY A 63 -0.444 11.261 -4.301 1.00 0.00 O ATOM 0 H GLY A 63 2.396 8.796 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.905 9.500 -4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.891 11.074 -5.232 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.864 9.192 -5.038 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.299 9.336 -4.844 1.00 0.00 C ATOM 1030 C LYS A 64 -2.518 9.107 -3.359 1.00 0.00 C ATOM 1031 O LYS A 64 -1.754 8.415 -2.685 1.00 0.00 O ATOM 1032 CB LYS A 64 -3.041 8.321 -5.737 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.564 8.550 -5.736 1.00 0.00 C ATOM 1034 CD LYS A 64 -5.344 7.668 -6.728 1.00 0.00 C ATOM 1035 CE LYS A 64 -5.013 8.002 -8.194 1.00 0.00 C ATOM 1036 NZ LYS A 64 -6.186 7.849 -9.091 1.00 0.00 N ATOM 0 H LYS A 64 -0.553 8.253 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.687 10.313 -5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.665 8.394 -6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.827 7.310 -5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.945 8.369 -4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.761 9.597 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.115 6.620 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.414 7.796 -6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.644 9.026 -8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.209 7.352 -8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.877 7.919 -10.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.627 6.921 -8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.877 8.600 -8.890 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.458 9.845 -2.779 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.639 9.779 -1.330 1.00 0.00 C ATOM 1052 C LYS A 65 -4.264 8.437 -0.945 1.00 0.00 C ATOM 1053 O LYS A 65 -5.061 7.905 -1.711 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.368 11.045 -0.849 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.465 12.295 -0.664 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.083 12.370 -1.361 1.00 0.00 C ATOM 1057 CE LYS A 65 -0.973 11.623 -0.590 1.00 0.00 C ATOM 1058 NZ LYS A 65 -0.206 10.642 -1.394 1.00 0.00 N ATOM 0 H LYS A 65 -4.090 10.478 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.689 9.790 -0.796 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.154 11.287 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.857 10.825 0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.040 13.160 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.294 12.414 0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.166 11.951 -2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.797 13.416 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.279 12.357 -0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.424 11.104 0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.212 9.719 -0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.642 10.547 -2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.775 10.971 -1.499 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.109 7.987 0.307 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.528 6.670 0.769 1.00 0.00 C ATOM 1074 C PRO A 66 -6.029 6.462 0.682 1.00 0.00 C ATOM 1075 O PRO A 66 -6.483 5.509 0.060 1.00 0.00 O ATOM 1076 CB PRO A 66 -3.989 6.544 2.198 1.00 0.00 C ATOM 1077 CG PRO A 66 -3.765 7.988 2.628 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.325 8.633 1.331 1.00 0.00 C ATOM 0 HA PRO A 66 -4.127 5.885 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.700 6.037 2.851 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.063 5.969 2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.674 8.443 3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.004 8.070 3.404 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.503 9.708 1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.258 8.489 1.161 1.00 0.00 H new ATOM 1086 N GLN A 67 -6.815 7.334 1.311 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.262 7.181 1.312 1.00 0.00 C ATOM 1088 C GLN A 67 -8.834 7.240 -0.114 1.00 0.00 C ATOM 1089 O GLN A 67 -9.837 6.587 -0.382 1.00 0.00 O ATOM 1090 CB GLN A 67 -8.864 8.212 2.277 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.274 7.827 2.749 1.00 0.00 C ATOM 1092 CD GLN A 67 -10.674 8.624 3.992 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -9.947 8.645 4.986 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.814 9.295 3.971 1.00 0.00 N ATOM 0 H GLN A 67 -6.474 8.148 1.822 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.541 6.192 1.675 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.211 8.318 3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.902 9.185 1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.991 8.010 1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.308 6.760 2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.406 9.269 3.141 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.101 9.839 4.785 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.164 7.944 -1.037 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.568 8.005 -2.435 1.00 0.00 C ATOM 1105 C ALA A 68 -8.138 6.734 -3.171 1.00 0.00 C ATOM 1106 O ALA A 68 -8.891 6.264 -4.014 1.00 0.00 O ATOM 1107 CB ALA A 68 -7.959 9.244 -3.103 1.00 0.00 C ATOM 0 H ALA A 68 -7.326 8.486 -0.827 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.654 8.078 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.266 9.282 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.306 10.141 -2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.872 9.191 -3.046 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.979 6.150 -2.842 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.532 4.869 -3.391 1.00 0.00 C ATOM 1115 C ILE A 69 -7.611 3.809 -3.122 1.00 0.00 C ATOM 1116 O ILE A 69 -8.081 3.155 -4.044 1.00 0.00 O ATOM 1117 CB ILE A 69 -5.136 4.503 -2.818 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -4.058 5.407 -3.454 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.826 3.006 -3.019 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.726 5.420 -2.701 1.00 0.00 C ATOM 0 H ILE A 69 -6.320 6.560 -2.180 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.404 4.928 -4.472 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.136 4.680 -1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.881 5.077 -4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.441 6.426 -3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.842 2.780 -2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.579 2.407 -2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.837 2.772 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.025 6.079 -3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.886 5.780 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.317 4.410 -2.668 1.00 0.00 H new ATOM 1132 N CYS A 70 -8.028 3.656 -1.868 1.00 0.00 N ATOM 1133 CA CYS A 70 -9.103 2.766 -1.436 1.00 0.00 C ATOM 1134 C CYS A 70 -10.393 3.007 -2.226 1.00 0.00 C ATOM 1135 O CYS A 70 -11.125 2.045 -2.424 1.00 0.00 O ATOM 1136 CB CYS A 70 -9.313 2.991 0.068 1.00 0.00 C ATOM 1137 SG CYS A 70 -7.786 2.878 1.039 1.00 0.00 S ATOM 0 H CYS A 70 -7.609 4.170 -1.093 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.827 1.729 -1.627 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.759 3.974 0.221 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -10.026 2.256 0.441 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.767 4.241 -2.571 1.00 0.00 N ATOM 1143 CA VAL A 71 -11.930 4.425 -3.441 1.00 0.00 C ATOM 1144 C VAL A 71 -11.578 3.900 -4.847 1.00 0.00 C ATOM 1145 O VAL A 71 -12.257 3.005 -5.320 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.403 5.896 -3.407 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.520 6.194 -4.416 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -12.943 6.244 -2.007 1.00 0.00 C ATOM 0 H VAL A 71 -10.302 5.099 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.784 3.847 -3.089 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.531 6.496 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.807 7.243 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.164 5.986 -5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.384 5.565 -4.199 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.274 7.282 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.783 5.592 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.154 6.104 -1.268 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.462 4.319 -5.451 1.00 0.00 N ATOM 1159 CA ASP A 72 -10.062 4.004 -6.834 1.00 0.00 C ATOM 1160 C ASP A 72 -10.024 2.500 -7.144 1.00 0.00 C ATOM 1161 O ASP A 72 -10.594 2.043 -8.133 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.695 4.656 -7.095 1.00 0.00 C ATOM 1163 CG ASP A 72 -8.240 4.648 -8.558 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -8.153 3.567 -9.182 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -7.796 5.733 -9.003 1.00 0.00 O ATOM 0 H ASP A 72 -9.782 4.911 -4.974 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.822 4.407 -7.504 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.730 5.688 -6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.944 4.142 -6.494 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.370 1.705 -6.290 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.296 0.243 -6.451 1.00 0.00 C ATOM 1172 C ILE A 73 -10.467 -0.500 -5.778 1.00 0.00 C ATOM 1173 O ILE A 73 -10.477 -1.728 -5.733 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.905 -0.283 -6.061 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.441 0.270 -4.706 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.893 0.044 -7.155 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.482 -0.663 -3.994 1.00 0.00 C ATOM 0 H ILE A 73 -8.877 2.053 -5.468 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.422 0.020 -7.510 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.977 -1.366 -5.957 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.958 1.235 -4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.310 0.445 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.912 -0.333 -6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.203 -0.425 -8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.841 1.124 -7.291 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.186 -0.223 -3.042 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.971 -1.620 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.598 -0.818 -4.613 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.439 0.256 -5.273 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.723 -0.095 -4.699 1.00 0.00 C ATOM 1191 C LYS A 74 -12.611 -1.005 -3.483 1.00 0.00 C ATOM 1192 O LYS A 74 -12.743 -2.224 -3.540 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.678 -0.556 -5.805 1.00 0.00 C ATOM 1194 CG LYS A 74 -15.105 -0.542 -5.253 1.00 0.00 C ATOM 1195 CD LYS A 74 -16.139 -1.133 -6.225 1.00 0.00 C ATOM 1196 CE LYS A 74 -16.911 -0.111 -7.072 1.00 0.00 C ATOM 1197 NZ LYS A 74 -16.058 0.722 -7.948 1.00 0.00 N ATOM 0 H LYS A 74 -11.320 1.269 -5.259 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.179 0.795 -4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.600 0.102 -6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.412 -1.558 -6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.132 -1.104 -4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.385 0.484 -5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.628 -1.823 -6.896 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.857 -1.720 -5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.636 -0.642 -7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.476 0.542 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.637 1.461 -8.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.307 1.165 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.630 0.126 -8.684 1.00 0.00 H new ATOM 1211 N ILE A 75 -12.419 -0.353 -2.343 1.00 0.00 N ATOM 1212 CA ILE A 75 -12.152 -0.951 -1.045 1.00 0.00 C ATOM 1213 C ILE A 75 -13.071 -0.284 -0.001 1.00 0.00 C ATOM 1214 O ILE A 75 -13.229 -0.785 1.116 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.697 -0.586 -0.648 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.613 -0.798 -1.722 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -10.286 -1.421 0.576 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -9.387 -2.218 -2.166 1.00 0.00 C ATOM 0 H ILE A 75 -12.448 0.666 -2.299 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.310 -2.029 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.736 0.488 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.876 -0.203 -2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.671 -0.404 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.264 -1.170 0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.958 -1.205 1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.344 -2.481 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.603 -2.242 -2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.085 -2.823 -1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.309 -2.619 -2.587 1.00 0.00 H new ATOM 1230 N CYS A 76 -13.609 0.899 -0.322 1.00 0.00 N ATOM 1231 CA CYS A 76 -14.379 1.728 0.588 1.00 0.00 C ATOM 1232 C CYS A 76 -15.863 1.715 0.190 1.00 0.00 C ATOM 1233 O CYS A 76 -16.344 0.747 -0.390 1.00 0.00 O ATOM 1234 CB CYS A 76 -13.729 3.124 0.591 1.00 0.00 C ATOM 1235 SG CYS A 76 -14.087 4.139 2.051 1.00 0.00 S ATOM 0 H CYS A 76 -13.513 1.310 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 76 -14.363 1.350 1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.649 3.004 0.507 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -14.060 3.663 -0.297 1.00 0.00 H new ATOM 1240 N LYS A 77 -16.600 2.753 0.582 1.00 0.00 N ATOM 1241 CA LYS A 77 -17.979 3.028 0.226 1.00 0.00 C ATOM 1242 C LYS A 77 -17.888 4.223 -0.691 1.00 0.00 C ATOM 1243 O LYS A 77 -17.789 5.334 -0.179 1.00 0.00 O ATOM 1244 CB LYS A 77 -18.924 3.278 1.422 1.00 0.00 C ATOM 1245 CG LYS A 77 -20.323 3.774 0.960 1.00 0.00 C ATOM 1246 CD LYS A 77 -20.607 5.259 1.286 1.00 0.00 C ATOM 1247 CE LYS A 77 -21.720 5.903 0.437 1.00 0.00 C ATOM 1248 NZ LYS A 77 -21.301 6.235 -0.946 1.00 0.00 N ATOM 0 H LYS A 77 -16.217 3.469 1.199 1.00 0.00 H new ATOM 0 HA LYS A 77 -18.434 2.156 -0.244 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.036 2.358 1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.479 4.016 2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -20.412 3.626 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.089 3.157 1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.879 5.340 2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.688 5.829 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.572 5.224 0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.061 6.812 0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.043 6.799 -1.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.417 6.782 -0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.148 5.357 -1.483 1.00 0.00 H new ATOM 1262 N GLU A 78 -17.593 3.967 -1.960 1.00 0.00 N ATOM 1263 CA GLU A 78 -17.629 5.021 -2.962 1.00 0.00 C ATOM 1264 C GLU A 78 -19.027 5.623 -2.802 1.00 0.00 C ATOM 1265 O GLU A 78 -19.144 6.816 -2.457 1.00 0.00 O ATOM 1266 CB GLU A 78 -17.454 4.455 -4.387 1.00 0.00 C ATOM 1267 CG GLU A 78 -16.442 3.309 -4.560 1.00 0.00 C ATOM 1268 CD GLU A 78 -16.184 2.987 -6.033 1.00 0.00 C ATOM 1269 OE1 GLU A 78 -17.135 2.912 -6.844 1.00 0.00 O ATOM 1270 OE2 GLU A 78 -15.049 2.571 -6.349 1.00 0.00 O ATOM 1271 OXT GLU A 78 -19.995 4.826 -2.750 1.00 0.00 O ATOM 0 H GLU A 78 -17.329 3.048 -2.315 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.825 5.745 -2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -18.426 4.105 -4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.156 5.273 -5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.502 3.580 -4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.814 2.418 -4.054 1.00 0.00 H new TER 1278 GLU A 78