USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 531 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 2 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.941) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 179:sc= -3.7 (180deg=-3.75) USER MOD Single : A 26 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.36) USER MOD Single : A 28 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.1!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 81:sc= 1.18 USER MOD Single : A 51 GLN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -2.59 K(o=-2.6,f=-5.9) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -107:sc= -1.88 (180deg=-4.39!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.198 -1.591 -0.685 1.00 35.03 N ATOM 19 CA LYS A 2 5.611 -1.930 -0.570 1.00 60.02 C ATOM 20 C LYS A 2 6.040 -2.863 -1.698 1.00 31.20 C ATOM 21 O LYS A 2 6.807 -3.801 -1.482 1.00 64.20 O ATOM 22 CB LYS A 2 5.891 -2.587 0.784 1.00 41.54 C ATOM 23 CG LYS A 2 4.894 -3.672 1.151 1.00 65.32 C ATOM 24 CD LYS A 2 5.147 -4.211 2.549 1.00 33.00 C ATOM 25 CE LYS A 2 4.554 -5.601 2.726 1.00 11.53 C ATOM 26 NZ LYS A 2 5.104 -6.289 3.927 1.00 72.12 N ATOM 0 HA LYS A 2 6.187 -1.008 -0.645 1.00 60.02 H new ATOM 0 HB2 LYS A 2 6.893 -3.016 0.770 1.00 41.54 H new ATOM 0 HB3 LYS A 2 5.883 -1.821 1.559 1.00 41.54 H new ATOM 0 HG2 LYS A 2 3.882 -3.272 1.092 1.00 65.32 H new ATOM 0 HG3 LYS A 2 4.958 -4.486 0.429 1.00 65.32 H new ATOM 0 HD2 LYS A 2 6.220 -4.245 2.738 1.00 33.00 H new ATOM 0 HD3 LYS A 2 4.715 -3.533 3.285 1.00 33.00 H new ATOM 0 HE2 LYS A 2 3.470 -5.525 2.815 1.00 11.53 H new ATOM 0 HE3 LYS A 2 4.760 -6.199 1.838 1.00 11.53 H new ATOM 0 HZ1 LYS A 2 5.285 -7.288 3.702 1.00 72.12 H new ATOM 0 HZ2 LYS A 2 5.993 -5.831 4.212 1.00 72.12 H new ATOM 0 HZ3 LYS A 2 4.418 -6.229 4.706 1.00 72.12 H new ATOM 40 N ARG A 3 5.541 -2.599 -2.901 1.00 13.41 N ATOM 41 CA ARG A 3 5.873 -3.415 -4.062 1.00 51.13 C ATOM 42 C ARG A 3 6.022 -2.549 -5.310 1.00 65.52 C ATOM 43 O ARG A 3 5.590 -1.397 -5.335 1.00 3.14 O ATOM 44 CB ARG A 3 4.796 -4.477 -4.291 1.00 55.41 C ATOM 45 CG ARG A 3 3.440 -3.898 -4.662 1.00 34.33 C ATOM 46 CD ARG A 3 2.487 -3.908 -3.476 1.00 41.23 C ATOM 47 NE ARG A 3 1.148 -3.459 -3.847 1.00 34.41 N ATOM 48 CZ ARG A 3 0.300 -4.189 -4.564 1.00 65.12 C ATOM 49 NH1 ARG A 3 0.652 -5.396 -4.985 1.00 62.14 N ATOM 50 NH2 ARG A 3 -0.902 -3.712 -4.861 1.00 44.00 N ATOM 0 H ARG A 3 4.905 -1.826 -3.097 1.00 13.41 H new ATOM 0 HA ARG A 3 6.825 -3.909 -3.867 1.00 51.13 H new ATOM 0 HB2 ARG A 3 5.124 -5.150 -5.083 1.00 55.41 H new ATOM 0 HB3 ARG A 3 4.691 -5.077 -3.387 1.00 55.41 H new ATOM 0 HG2 ARG A 3 3.565 -2.876 -5.021 1.00 34.33 H new ATOM 0 HG3 ARG A 3 3.009 -4.473 -5.481 1.00 34.33 H new ATOM 0 HD2 ARG A 3 2.431 -4.916 -3.065 1.00 41.23 H new ATOM 0 HD3 ARG A 3 2.880 -3.264 -2.689 1.00 41.23 H new ATOM 0 HE ARG A 3 0.847 -2.534 -3.539 1.00 34.41 H new ATOM 0 HH11 ARG A 3 1.575 -5.766 -4.759 1.00 62.14 H new ATOM 0 HH12 ARG A 3 -0.000 -5.955 -5.535 1.00 62.14 H new ATOM 0 HH21 ARG A 3 -1.176 -2.784 -4.539 1.00 44.00 H new ATOM 0 HH22 ARG A 3 -1.552 -4.273 -5.411 1.00 44.00 H new ATOM 64 N PHE A 4 6.638 -3.113 -6.344 1.00 72.04 N ATOM 65 CA PHE A 4 6.846 -2.393 -7.595 1.00 41.12 C ATOM 66 C PHE A 4 6.592 -3.301 -8.795 1.00 32.23 C ATOM 67 O PHE A 4 7.173 -4.381 -8.904 1.00 3.23 O ATOM 68 CB PHE A 4 8.270 -1.835 -7.656 1.00 74.13 C ATOM 69 CG PHE A 4 8.326 -0.370 -7.982 1.00 12.25 C ATOM 70 CD1 PHE A 4 7.558 0.541 -7.273 1.00 24.52 C ATOM 71 CD2 PHE A 4 9.146 0.097 -8.995 1.00 43.35 C ATOM 72 CE1 PHE A 4 7.608 1.889 -7.571 1.00 12.24 C ATOM 73 CE2 PHE A 4 9.200 1.445 -9.298 1.00 2.14 C ATOM 74 CZ PHE A 4 8.431 2.342 -8.583 1.00 54.24 C ATOM 0 H PHE A 4 7.002 -4.066 -6.340 1.00 72.04 H new ATOM 0 HA PHE A 4 6.137 -1.566 -7.631 1.00 41.12 H new ATOM 0 HB2 PHE A 4 8.760 -2.005 -6.697 1.00 74.13 H new ATOM 0 HB3 PHE A 4 8.837 -2.388 -8.405 1.00 74.13 H new ATOM 0 HD1 PHE A 4 6.914 0.193 -6.479 1.00 24.52 H new ATOM 0 HD2 PHE A 4 9.751 -0.600 -9.556 1.00 43.35 H new ATOM 0 HE1 PHE A 4 7.004 2.588 -7.013 1.00 12.24 H new ATOM 0 HE2 PHE A 4 9.842 1.796 -10.092 1.00 2.14 H new ATOM 0 HZ PHE A 4 8.473 3.396 -8.815 1.00 54.24 H new ATOM 84 N ASP A 5 5.719 -2.856 -9.692 1.00 11.04 N ATOM 85 CA ASP A 5 5.387 -3.627 -10.884 1.00 31.32 C ATOM 86 C ASP A 5 6.184 -3.136 -12.088 1.00 72.03 C ATOM 87 O ASP A 5 5.918 -2.060 -12.625 1.00 10.31 O ATOM 88 CB ASP A 5 3.888 -3.535 -11.176 1.00 64.10 C ATOM 89 CG ASP A 5 3.181 -4.864 -10.996 1.00 54.40 C ATOM 90 OD1 ASP A 5 3.177 -5.669 -11.951 1.00 4.21 O ATOM 91 OD2 ASP A 5 2.631 -5.099 -9.900 1.00 14.40 O ATOM 0 H ASP A 5 5.228 -1.965 -9.616 1.00 11.04 H new ATOM 0 HA ASP A 5 5.649 -4.668 -10.698 1.00 31.32 H new ATOM 0 HB2 ASP A 5 3.437 -2.794 -10.516 1.00 64.10 H new ATOM 0 HB3 ASP A 5 3.741 -3.184 -12.197 1.00 64.10 H new ATOM 96 N LEU A 6 7.162 -3.931 -12.508 1.00 2.33 N ATOM 97 CA LEU A 6 7.999 -3.577 -13.649 1.00 5.54 C ATOM 98 C LEU A 6 7.582 -4.355 -14.893 1.00 3.55 C ATOM 99 O LEU A 6 8.267 -4.323 -15.915 1.00 50.12 O ATOM 100 CB LEU A 6 9.471 -3.851 -13.331 1.00 54.43 C ATOM 101 CG LEU A 6 10.161 -2.835 -12.420 1.00 62.13 C ATOM 102 CD1 LEU A 6 9.995 -1.426 -12.969 1.00 23.42 C ATOM 103 CD2 LEU A 6 9.610 -2.927 -11.005 1.00 12.30 C ATOM 0 H LEU A 6 7.395 -4.825 -12.076 1.00 2.33 H new ATOM 0 HA LEU A 6 7.868 -2.513 -13.848 1.00 5.54 H new ATOM 0 HB2 LEU A 6 9.545 -4.834 -12.867 1.00 54.43 H new ATOM 0 HB3 LEU A 6 10.022 -3.900 -14.270 1.00 54.43 H new ATOM 0 HG LEU A 6 11.226 -3.067 -12.389 1.00 62.13 H new ATOM 0 HD11 LEU A 6 10.492 -0.717 -12.307 1.00 23.42 H new ATOM 0 HD12 LEU A 6 10.439 -1.368 -13.963 1.00 23.42 H new ATOM 0 HD13 LEU A 6 8.934 -1.182 -13.031 1.00 23.42 H new ATOM 0 HD21 LEU A 6 10.113 -2.197 -10.371 1.00 12.30 H new ATOM 0 HD22 LEU A 6 8.540 -2.721 -11.017 1.00 12.30 H new ATOM 0 HD23 LEU A 6 9.782 -3.929 -10.612 1.00 12.30 H new ATOM 115 N ARG A 7 6.454 -5.050 -14.798 1.00 70.41 N ATOM 116 CA ARG A 7 5.945 -5.836 -15.916 1.00 12.40 C ATOM 117 C ARG A 7 5.952 -5.017 -17.204 1.00 2.25 C ATOM 118 O ARG A 7 6.610 -5.363 -18.185 1.00 22.22 O ATOM 119 CB ARG A 7 4.526 -6.326 -15.619 1.00 4.43 C ATOM 120 CG ARG A 7 4.399 -7.840 -15.590 1.00 13.15 C ATOM 121 CD ARG A 7 3.084 -8.276 -14.961 1.00 64.13 C ATOM 122 NE ARG A 7 1.974 -8.202 -15.907 1.00 63.14 N ATOM 123 CZ ARG A 7 0.760 -8.676 -15.654 1.00 14.05 C ATOM 124 NH1 ARG A 7 0.500 -9.254 -14.489 1.00 70.41 N ATOM 125 NH2 ARG A 7 -0.199 -8.571 -16.565 1.00 63.14 N ATOM 0 H ARG A 7 5.875 -5.085 -13.959 1.00 70.41 H new ATOM 0 HA ARG A 7 6.599 -6.698 -16.049 1.00 12.40 H new ATOM 0 HB2 ARG A 7 4.206 -5.924 -14.658 1.00 4.43 H new ATOM 0 HB3 ARG A 7 3.848 -5.927 -16.373 1.00 4.43 H new ATOM 0 HG2 ARG A 7 4.466 -8.232 -16.605 1.00 13.15 H new ATOM 0 HG3 ARG A 7 5.231 -8.266 -15.029 1.00 13.15 H new ATOM 0 HD2 ARG A 7 3.179 -9.298 -14.593 1.00 64.13 H new ATOM 0 HD3 ARG A 7 2.868 -7.645 -14.099 1.00 64.13 H new ATOM 0 HE ARG A 7 2.141 -7.762 -16.812 1.00 63.14 H new ATOM 0 HH11 ARG A 7 1.234 -9.335 -13.785 1.00 70.41 H new ATOM 0 HH12 ARG A 7 -0.434 -9.617 -14.297 1.00 70.41 H new ATOM 0 HH21 ARG A 7 -0.004 -8.125 -17.462 1.00 63.14 H new ATOM 0 HH22 ARG A 7 -1.131 -8.936 -16.369 1.00 63.14 H new ATOM 139 N PRO A 8 5.203 -3.904 -17.202 1.00 32.31 N ATOM 140 CA PRO A 8 5.106 -3.013 -18.362 1.00 22.22 C ATOM 141 C PRO A 8 6.404 -2.256 -18.621 1.00 23.20 C ATOM 142 O PRO A 8 6.593 -1.675 -19.690 1.00 41.24 O ATOM 143 CB PRO A 8 3.990 -2.042 -17.971 1.00 14.11 C ATOM 144 CG PRO A 8 3.992 -2.041 -16.481 1.00 64.32 C ATOM 145 CD PRO A 8 4.393 -3.430 -16.067 1.00 74.43 C ATOM 0 HA PRO A 8 4.909 -3.562 -19.283 1.00 22.22 H new ATOM 0 HB2 PRO A 8 4.177 -1.044 -18.368 1.00 14.11 H new ATOM 0 HB3 PRO A 8 3.027 -2.367 -18.365 1.00 14.11 H new ATOM 0 HG2 PRO A 8 4.691 -1.301 -16.092 1.00 64.32 H new ATOM 0 HG3 PRO A 8 3.007 -1.786 -16.090 1.00 64.32 H new ATOM 0 HD2 PRO A 8 4.966 -3.423 -15.140 1.00 74.43 H new ATOM 0 HD3 PRO A 8 3.524 -4.066 -15.900 1.00 74.43 H new ATOM 153 N LEU A 9 7.297 -2.267 -17.637 1.00 35.11 N ATOM 154 CA LEU A 9 8.578 -1.582 -17.759 1.00 4.52 C ATOM 155 C LEU A 9 9.579 -2.431 -18.536 1.00 73.21 C ATOM 156 O LEU A 9 9.878 -3.562 -18.154 1.00 25.53 O ATOM 157 CB LEU A 9 9.138 -1.255 -16.373 1.00 40.52 C ATOM 158 CG LEU A 9 9.002 0.200 -15.920 1.00 70.45 C ATOM 159 CD1 LEU A 9 8.001 0.313 -14.781 1.00 61.40 C ATOM 160 CD2 LEU A 9 10.355 0.757 -15.502 1.00 32.43 C ATOM 0 H LEU A 9 7.157 -2.743 -16.746 1.00 35.11 H new ATOM 0 HA LEU A 9 8.414 -0.654 -18.307 1.00 4.52 H new ATOM 0 HB2 LEU A 9 8.638 -1.890 -15.642 1.00 40.52 H new ATOM 0 HB3 LEU A 9 10.195 -1.522 -16.358 1.00 40.52 H new ATOM 0 HG LEU A 9 8.633 0.789 -16.760 1.00 70.45 H new ATOM 0 HD11 LEU A 9 7.917 1.355 -14.472 1.00 61.40 H new ATOM 0 HD12 LEU A 9 7.027 -0.046 -15.115 1.00 61.40 H new ATOM 0 HD13 LEU A 9 8.340 -0.289 -13.938 1.00 61.40 H new ATOM 0 HD21 LEU A 9 10.239 1.793 -15.183 1.00 32.43 H new ATOM 0 HD22 LEU A 9 10.753 0.166 -14.677 1.00 32.43 H new ATOM 0 HD23 LEU A 9 11.043 0.712 -16.346 1.00 32.43 H new ATOM 172 N LYS A 10 10.094 -1.878 -19.629 1.00 10.23 N ATOM 173 CA LYS A 10 11.064 -2.582 -20.459 1.00 73.11 C ATOM 174 C LYS A 10 12.338 -2.879 -19.675 1.00 34.43 C ATOM 175 O LYS A 10 12.587 -2.282 -18.628 1.00 71.01 O ATOM 176 CB LYS A 10 11.399 -1.754 -21.702 1.00 12.04 C ATOM 177 CG LYS A 10 12.295 -0.562 -21.415 1.00 23.04 C ATOM 178 CD LYS A 10 12.575 0.241 -22.674 1.00 10.44 C ATOM 179 CE LYS A 10 11.387 1.111 -23.055 1.00 51.03 C ATOM 180 NZ LYS A 10 11.804 2.309 -23.836 1.00 21.32 N ATOM 0 H LYS A 10 9.855 -0.943 -19.961 1.00 10.23 H new ATOM 0 HA LYS A 10 10.620 -3.528 -20.769 1.00 73.11 H new ATOM 0 HB2 LYS A 10 11.887 -2.396 -22.436 1.00 12.04 H new ATOM 0 HB3 LYS A 10 10.472 -1.401 -22.154 1.00 12.04 H new ATOM 0 HG2 LYS A 10 11.822 0.079 -20.671 1.00 23.04 H new ATOM 0 HG3 LYS A 10 13.236 -0.908 -20.986 1.00 23.04 H new ATOM 0 HD2 LYS A 10 13.452 0.869 -22.519 1.00 10.44 H new ATOM 0 HD3 LYS A 10 12.809 -0.437 -23.495 1.00 10.44 H new ATOM 0 HE2 LYS A 10 10.680 0.524 -23.641 1.00 51.03 H new ATOM 0 HE3 LYS A 10 10.866 1.429 -22.152 1.00 51.03 H new ATOM 0 HZ1 LYS A 10 10.966 2.876 -24.076 1.00 21.32 H new ATOM 0 HZ2 LYS A 10 12.459 2.883 -23.268 1.00 21.32 H new ATOM 0 HZ3 LYS A 10 12.279 2.006 -24.710 1.00 21.32 H new ATOM 194 N ALA A 11 13.141 -3.805 -20.188 1.00 60.24 N ATOM 195 CA ALA A 11 14.391 -4.179 -19.538 1.00 13.55 C ATOM 196 C ALA A 11 15.433 -3.075 -19.677 1.00 45.31 C ATOM 197 O ALA A 11 15.487 -2.383 -20.693 1.00 12.53 O ATOM 198 CB ALA A 11 14.919 -5.482 -20.117 1.00 74.43 C ATOM 0 H ALA A 11 12.948 -4.310 -21.053 1.00 60.24 H new ATOM 0 HA ALA A 11 14.191 -4.322 -18.476 1.00 13.55 H new ATOM 0 HB1 ALA A 11 15.853 -5.748 -19.622 1.00 74.43 H new ATOM 0 HB2 ALA A 11 14.186 -6.273 -19.960 1.00 74.43 H new ATOM 0 HB3 ALA A 11 15.097 -5.360 -21.185 1.00 74.43 H new ATOM 204 N GLY A 12 16.261 -2.915 -18.649 1.00 24.41 N ATOM 205 CA GLY A 12 17.291 -1.893 -18.677 1.00 61.11 C ATOM 206 C GLY A 12 16.965 -0.717 -17.778 1.00 51.35 C ATOM 207 O GLY A 12 17.831 -0.219 -17.058 1.00 35.22 O ATOM 0 H GLY A 12 16.237 -3.475 -17.797 1.00 24.41 H new ATOM 0 HA2 GLY A 12 18.241 -2.330 -18.368 1.00 61.11 H new ATOM 0 HA3 GLY A 12 17.420 -1.540 -19.700 1.00 61.11 H new ATOM 211 N ILE A 13 15.714 -0.270 -17.822 1.00 3.01 N ATOM 212 CA ILE A 13 15.277 0.856 -17.006 1.00 20.44 C ATOM 213 C ILE A 13 14.516 0.378 -15.773 1.00 40.34 C ATOM 214 O ILE A 13 14.520 1.038 -14.734 1.00 12.01 O ATOM 215 CB ILE A 13 14.381 1.818 -17.807 1.00 41.15 C ATOM 216 CG1 ILE A 13 15.005 2.112 -19.173 1.00 42.12 C ATOM 217 CG2 ILE A 13 14.161 3.108 -17.031 1.00 31.31 C ATOM 218 CD1 ILE A 13 14.181 3.052 -20.024 1.00 40.54 C ATOM 0 H ILE A 13 14.986 -0.670 -18.414 1.00 3.01 H new ATOM 0 HA ILE A 13 16.176 1.387 -16.693 1.00 20.44 H new ATOM 0 HB ILE A 13 13.413 1.343 -17.965 1.00 41.15 H new ATOM 0 HG12 ILE A 13 15.996 2.542 -19.026 1.00 42.12 H new ATOM 0 HG13 ILE A 13 15.142 1.174 -19.711 1.00 42.12 H new ATOM 0 HG21 ILE A 13 13.526 3.778 -17.611 1.00 31.31 H new ATOM 0 HG22 ILE A 13 13.678 2.883 -16.080 1.00 31.31 H new ATOM 0 HG23 ILE A 13 15.121 3.589 -16.845 1.00 31.31 H new ATOM 0 HD11 ILE A 13 14.684 3.215 -20.977 1.00 40.54 H new ATOM 0 HD12 ILE A 13 13.199 2.615 -20.202 1.00 40.54 H new ATOM 0 HD13 ILE A 13 14.066 4.005 -19.507 1.00 40.54 H new ATOM 230 N PHE A 14 13.865 -0.774 -15.896 1.00 50.33 N ATOM 231 CA PHE A 14 13.100 -1.341 -14.792 1.00 53.12 C ATOM 232 C PHE A 14 13.987 -1.557 -13.570 1.00 22.40 C ATOM 233 O PHE A 14 13.511 -1.550 -12.436 1.00 14.04 O ATOM 234 CB PHE A 14 12.461 -2.666 -15.214 1.00 1.10 C ATOM 235 CG PHE A 14 13.411 -3.829 -15.173 1.00 52.20 C ATOM 236 CD1 PHE A 14 14.596 -3.798 -15.890 1.00 72.23 C ATOM 237 CD2 PHE A 14 13.118 -4.953 -14.418 1.00 1.13 C ATOM 238 CE1 PHE A 14 15.472 -4.866 -15.855 1.00 21.55 C ATOM 239 CE2 PHE A 14 13.991 -6.024 -14.378 1.00 14.02 C ATOM 240 CZ PHE A 14 15.168 -5.981 -15.098 1.00 25.30 C ATOM 0 H PHE A 14 13.852 -1.333 -16.749 1.00 50.33 H new ATOM 0 HA PHE A 14 12.313 -0.635 -14.527 1.00 53.12 H new ATOM 0 HB2 PHE A 14 11.614 -2.876 -14.561 1.00 1.10 H new ATOM 0 HB3 PHE A 14 12.067 -2.564 -16.225 1.00 1.10 H new ATOM 0 HD1 PHE A 14 14.838 -2.929 -16.483 1.00 72.23 H new ATOM 0 HD2 PHE A 14 12.197 -4.993 -13.855 1.00 1.13 H new ATOM 0 HE1 PHE A 14 16.393 -4.829 -16.418 1.00 21.55 H new ATOM 0 HE2 PHE A 14 13.752 -6.894 -13.784 1.00 14.02 H new ATOM 0 HZ PHE A 14 15.850 -6.818 -15.070 1.00 25.30 H new ATOM 250 N GLU A 15 15.280 -1.751 -13.812 1.00 1.54 N ATOM 251 CA GLU A 15 16.234 -1.971 -12.731 1.00 11.32 C ATOM 252 C GLU A 15 16.685 -0.645 -12.125 1.00 43.21 C ATOM 253 O GLU A 15 17.271 -0.612 -11.043 1.00 20.13 O ATOM 254 CB GLU A 15 17.447 -2.750 -13.242 1.00 44.45 C ATOM 255 CG GLU A 15 18.525 -2.956 -12.192 1.00 23.23 C ATOM 256 CD GLU A 15 19.780 -2.154 -12.478 1.00 21.15 C ATOM 257 OE1 GLU A 15 20.202 -2.113 -13.652 1.00 42.22 O ATOM 258 OE2 GLU A 15 20.340 -1.568 -11.527 1.00 72.44 O ATOM 0 H GLU A 15 15.690 -1.760 -14.746 1.00 1.54 H new ATOM 0 HA GLU A 15 15.737 -2.554 -11.956 1.00 11.32 H new ATOM 0 HB2 GLU A 15 17.116 -3.723 -13.606 1.00 44.45 H new ATOM 0 HB3 GLU A 15 17.876 -2.220 -14.092 1.00 44.45 H new ATOM 0 HG2 GLU A 15 18.133 -2.674 -11.215 1.00 23.23 H new ATOM 0 HG3 GLU A 15 18.779 -4.015 -12.140 1.00 23.23 H new ATOM 265 N ARG A 16 16.409 0.446 -12.832 1.00 11.43 N ATOM 266 CA ARG A 16 16.788 1.775 -12.365 1.00 73.25 C ATOM 267 C ARG A 16 15.669 2.400 -11.537 1.00 72.22 C ATOM 268 O ARG A 16 15.923 3.185 -10.623 1.00 50.41 O ATOM 269 CB ARG A 16 17.124 2.679 -13.553 1.00 74.30 C ATOM 270 CG ARG A 16 18.609 2.963 -13.701 1.00 4.01 C ATOM 271 CD ARG A 16 19.086 2.712 -15.123 1.00 53.52 C ATOM 272 NE ARG A 16 20.149 3.634 -15.515 1.00 11.03 N ATOM 273 CZ ARG A 16 20.875 3.493 -16.618 1.00 74.52 C ATOM 274 NH1 ARG A 16 20.652 2.472 -17.435 1.00 45.44 N ATOM 275 NH2 ARG A 16 21.825 4.373 -16.906 1.00 74.14 N ATOM 0 H ARG A 16 15.925 0.436 -13.730 1.00 11.43 H new ATOM 0 HA ARG A 16 17.670 1.673 -11.733 1.00 73.25 H new ATOM 0 HB2 ARG A 16 16.759 2.213 -14.468 1.00 74.30 H new ATOM 0 HB3 ARG A 16 16.591 3.624 -13.442 1.00 74.30 H new ATOM 0 HG2 ARG A 16 18.812 3.998 -13.426 1.00 4.01 H new ATOM 0 HG3 ARG A 16 19.171 2.334 -13.011 1.00 4.01 H new ATOM 0 HD2 ARG A 16 19.446 1.687 -15.209 1.00 53.52 H new ATOM 0 HD3 ARG A 16 18.246 2.814 -15.810 1.00 53.52 H new ATOM 0 HE ARG A 16 20.344 4.430 -14.908 1.00 11.03 H new ATOM 0 HH11 ARG A 16 19.922 1.794 -17.216 1.00 45.44 H new ATOM 0 HH12 ARG A 16 21.210 2.365 -18.282 1.00 45.44 H new ATOM 0 HH21 ARG A 16 21.999 5.159 -16.280 1.00 74.14 H new ATOM 0 HH22 ARG A 16 22.382 4.263 -17.754 1.00 74.14 H new ATOM 289 N LEU A 17 14.430 2.047 -11.863 1.00 65.53 N ATOM 290 CA LEU A 17 13.272 2.573 -11.150 1.00 72.11 C ATOM 291 C LEU A 17 13.100 1.879 -9.803 1.00 23.13 C ATOM 292 O LEU A 17 12.527 2.444 -8.872 1.00 24.12 O ATOM 293 CB LEU A 17 12.007 2.397 -11.992 1.00 32.20 C ATOM 294 CG LEU A 17 11.271 3.681 -12.374 1.00 52.42 C ATOM 295 CD1 LEU A 17 10.845 4.443 -11.129 1.00 12.32 C ATOM 296 CD2 LEU A 17 12.146 4.554 -13.262 1.00 24.21 C ATOM 0 H LEU A 17 14.202 1.399 -12.617 1.00 65.53 H new ATOM 0 HA LEU A 17 13.438 3.635 -10.972 1.00 72.11 H new ATOM 0 HB2 LEU A 17 12.275 1.869 -12.907 1.00 32.20 H new ATOM 0 HB3 LEU A 17 11.317 1.755 -11.444 1.00 32.20 H new ATOM 0 HG LEU A 17 10.376 3.410 -12.934 1.00 52.42 H new ATOM 0 HD11 LEU A 17 10.323 5.354 -11.421 1.00 12.32 H new ATOM 0 HD12 LEU A 17 10.181 3.820 -10.530 1.00 12.32 H new ATOM 0 HD13 LEU A 17 11.726 4.702 -10.542 1.00 12.32 H new ATOM 0 HD21 LEU A 17 11.606 5.464 -13.524 1.00 24.21 H new ATOM 0 HD22 LEU A 17 13.060 4.816 -12.728 1.00 24.21 H new ATOM 0 HD23 LEU A 17 12.400 4.009 -14.171 1.00 24.21 H new ATOM 308 N GLU A 18 13.603 0.652 -9.707 1.00 32.25 N ATOM 309 CA GLU A 18 13.506 -0.118 -8.472 1.00 11.01 C ATOM 310 C GLU A 18 14.144 0.636 -7.309 1.00 0.21 C ATOM 311 O GLU A 18 13.770 0.445 -6.152 1.00 70.34 O ATOM 312 CB GLU A 18 14.179 -1.481 -8.641 1.00 24.53 C ATOM 313 CG GLU A 18 13.292 -2.651 -8.249 1.00 23.22 C ATOM 314 CD GLU A 18 12.830 -3.459 -9.446 1.00 33.24 C ATOM 315 OE1 GLU A 18 12.467 -2.845 -10.471 1.00 22.00 O ATOM 316 OE2 GLU A 18 12.830 -4.705 -9.357 1.00 52.32 O ATOM 0 H GLU A 18 14.081 0.170 -10.468 1.00 32.25 H new ATOM 0 HA GLU A 18 12.450 -0.268 -8.249 1.00 11.01 H new ATOM 0 HB2 GLU A 18 14.484 -1.600 -9.681 1.00 24.53 H new ATOM 0 HB3 GLU A 18 15.086 -1.506 -8.038 1.00 24.53 H new ATOM 0 HG2 GLU A 18 13.836 -3.301 -7.564 1.00 23.22 H new ATOM 0 HG3 GLU A 18 12.422 -2.278 -7.710 1.00 23.22 H new ATOM 323 N GLU A 19 15.109 1.493 -7.626 1.00 5.53 N ATOM 324 CA GLU A 19 15.800 2.275 -6.607 1.00 45.20 C ATOM 325 C GLU A 19 14.980 3.500 -6.212 1.00 23.24 C ATOM 326 O GLU A 19 15.028 3.950 -5.066 1.00 22.20 O ATOM 327 CB GLU A 19 17.177 2.712 -7.114 1.00 32.52 C ATOM 328 CG GLU A 19 17.839 3.768 -6.245 1.00 34.43 C ATOM 329 CD GLU A 19 17.875 5.130 -6.909 1.00 12.54 C ATOM 330 OE1 GLU A 19 16.855 5.522 -7.514 1.00 11.11 O ATOM 331 OE2 GLU A 19 18.922 5.805 -6.823 1.00 41.02 O ATOM 0 H GLU A 19 15.430 1.664 -8.579 1.00 5.53 H new ATOM 0 HA GLU A 19 15.928 1.645 -5.727 1.00 45.20 H new ATOM 0 HB2 GLU A 19 17.828 1.839 -7.170 1.00 32.52 H new ATOM 0 HB3 GLU A 19 17.075 3.099 -8.128 1.00 32.52 H new ATOM 0 HG2 GLU A 19 17.303 3.843 -5.299 1.00 34.43 H new ATOM 0 HG3 GLU A 19 18.856 3.455 -6.011 1.00 34.43 H new ATOM 338 N LEU A 20 14.229 4.035 -7.167 1.00 73.34 N ATOM 339 CA LEU A 20 13.398 5.208 -6.921 1.00 35.14 C ATOM 340 C LEU A 20 12.390 4.937 -5.808 1.00 3.34 C ATOM 341 O LEU A 20 11.989 5.850 -5.085 1.00 2.01 O ATOM 342 CB LEU A 20 12.664 5.616 -8.200 1.00 21.15 C ATOM 343 CG LEU A 20 13.155 6.897 -8.875 1.00 62.33 C ATOM 344 CD1 LEU A 20 14.100 6.567 -10.021 1.00 13.42 C ATOM 345 CD2 LEU A 20 11.978 7.722 -9.373 1.00 13.30 C ATOM 0 H LEU A 20 14.178 3.675 -8.120 1.00 73.34 H new ATOM 0 HA LEU A 20 14.049 6.024 -6.607 1.00 35.14 H new ATOM 0 HB2 LEU A 20 12.742 4.798 -8.917 1.00 21.15 H new ATOM 0 HB3 LEU A 20 11.606 5.735 -7.966 1.00 21.15 H new ATOM 0 HG LEU A 20 13.701 7.487 -8.139 1.00 62.33 H new ATOM 0 HD11 LEU A 20 14.440 7.490 -10.490 1.00 13.42 H new ATOM 0 HD12 LEU A 20 14.960 6.018 -9.637 1.00 13.42 H new ATOM 0 HD13 LEU A 20 13.579 5.956 -10.758 1.00 13.42 H new ATOM 0 HD21 LEU A 20 12.346 8.630 -9.851 1.00 13.30 H new ATOM 0 HD22 LEU A 20 11.405 7.140 -10.094 1.00 13.30 H new ATOM 0 HD23 LEU A 20 11.338 7.988 -8.532 1.00 13.30 H new ATOM 357 N ILE A 21 11.988 3.678 -5.674 1.00 53.14 N ATOM 358 CA ILE A 21 11.030 3.287 -4.647 1.00 42.32 C ATOM 359 C ILE A 21 11.742 2.790 -3.393 1.00 75.14 C ATOM 360 O ILE A 21 11.272 3.003 -2.276 1.00 72.02 O ATOM 361 CB ILE A 21 10.078 2.188 -5.154 1.00 21.01 C ATOM 362 CG1 ILE A 21 9.031 1.859 -4.088 1.00 72.21 C ATOM 363 CG2 ILE A 21 10.863 0.942 -5.535 1.00 63.15 C ATOM 364 CD1 ILE A 21 8.206 3.053 -3.662 1.00 42.21 C ATOM 0 H ILE A 21 12.311 2.911 -6.264 1.00 53.14 H new ATOM 0 HA ILE A 21 10.448 4.175 -4.403 1.00 42.32 H new ATOM 0 HB ILE A 21 9.563 2.555 -6.042 1.00 21.01 H new ATOM 0 HG12 ILE A 21 8.365 1.086 -4.471 1.00 72.21 H new ATOM 0 HG13 ILE A 21 9.532 1.444 -3.214 1.00 72.21 H new ATOM 0 HG21 ILE A 21 10.176 0.174 -5.891 1.00 63.15 H new ATOM 0 HG22 ILE A 21 11.574 1.187 -6.324 1.00 63.15 H new ATOM 0 HG23 ILE A 21 11.402 0.571 -4.663 1.00 63.15 H new ATOM 0 HD11 ILE A 21 7.485 2.745 -2.905 1.00 42.21 H new ATOM 0 HD12 ILE A 21 8.862 3.819 -3.249 1.00 42.21 H new ATOM 0 HD13 ILE A 21 7.676 3.456 -4.525 1.00 42.21 H new ATOM 376 N GLU A 22 12.878 2.128 -3.588 1.00 32.35 N ATOM 377 CA GLU A 22 13.654 1.601 -2.471 1.00 44.04 C ATOM 378 C GLU A 22 14.059 2.719 -1.515 1.00 32.15 C ATOM 379 O GLU A 22 14.283 2.485 -0.327 1.00 33.43 O ATOM 380 CB GLU A 22 14.902 0.878 -2.985 1.00 15.40 C ATOM 381 CG GLU A 22 15.236 -0.385 -2.209 1.00 52.34 C ATOM 382 CD GLU A 22 15.278 -1.617 -3.092 1.00 31.23 C ATOM 383 OE1 GLU A 22 15.735 -1.503 -4.248 1.00 51.44 O ATOM 384 OE2 GLU A 22 14.854 -2.696 -2.626 1.00 40.53 O ATOM 0 H GLU A 22 13.281 1.944 -4.507 1.00 32.35 H new ATOM 0 HA GLU A 22 13.028 0.892 -1.929 1.00 44.04 H new ATOM 0 HB2 GLU A 22 14.757 0.622 -4.035 1.00 15.40 H new ATOM 0 HB3 GLU A 22 15.752 1.559 -2.938 1.00 15.40 H new ATOM 0 HG2 GLU A 22 16.201 -0.261 -1.718 1.00 52.34 H new ATOM 0 HG3 GLU A 22 14.495 -0.531 -1.423 1.00 52.34 H new ATOM 391 N LYS A 23 14.151 3.935 -2.041 1.00 1.43 N ATOM 392 CA LYS A 23 14.528 5.091 -1.236 1.00 14.35 C ATOM 393 C LYS A 23 13.415 5.461 -0.260 1.00 73.31 C ATOM 394 O LYS A 23 13.678 5.934 0.845 1.00 70.02 O ATOM 395 CB LYS A 23 14.846 6.285 -2.138 1.00 44.30 C ATOM 396 CG LYS A 23 16.332 6.483 -2.383 1.00 63.35 C ATOM 397 CD LYS A 23 16.870 7.679 -1.617 1.00 0.33 C ATOM 398 CE LYS A 23 18.273 8.050 -2.074 1.00 33.42 C ATOM 399 NZ LYS A 23 18.253 8.871 -3.316 1.00 14.13 N ATOM 0 H LYS A 23 13.970 4.146 -3.022 1.00 1.43 H new ATOM 0 HA LYS A 23 15.418 4.828 -0.664 1.00 14.35 H new ATOM 0 HB2 LYS A 23 14.343 6.150 -3.096 1.00 44.30 H new ATOM 0 HB3 LYS A 23 14.437 7.189 -1.687 1.00 44.30 H new ATOM 0 HG2 LYS A 23 16.873 5.585 -2.084 1.00 63.35 H new ATOM 0 HG3 LYS A 23 16.510 6.623 -3.449 1.00 63.35 H new ATOM 0 HD2 LYS A 23 16.204 8.531 -1.756 1.00 0.33 H new ATOM 0 HD3 LYS A 23 16.881 7.454 -0.551 1.00 0.33 H new ATOM 0 HE2 LYS A 23 18.779 8.602 -1.282 1.00 33.42 H new ATOM 0 HE3 LYS A 23 18.850 7.142 -2.248 1.00 33.42 H new ATOM 0 HZ1 LYS A 23 19.228 9.103 -3.595 1.00 14.13 H new ATOM 0 HZ2 LYS A 23 17.793 8.335 -4.079 1.00 14.13 H new ATOM 0 HZ3 LYS A 23 17.724 9.750 -3.143 1.00 14.13 H new ATOM 413 N GLU A 24 12.172 5.240 -0.676 1.00 74.32 N ATOM 414 CA GLU A 24 11.020 5.549 0.163 1.00 54.45 C ATOM 415 C GLU A 24 10.688 4.380 1.085 1.00 73.44 C ATOM 416 O GLU A 24 9.811 4.481 1.942 1.00 3.24 O ATOM 417 CB GLU A 24 9.806 5.889 -0.705 1.00 11.50 C ATOM 418 CG GLU A 24 9.238 7.274 -0.441 1.00 71.11 C ATOM 419 CD GLU A 24 7.938 7.232 0.338 1.00 11.24 C ATOM 420 OE1 GLU A 24 6.990 6.565 -0.126 1.00 55.41 O ATOM 421 OE2 GLU A 24 7.869 7.866 1.412 1.00 54.11 O ATOM 0 H GLU A 24 11.937 4.849 -1.588 1.00 74.32 H new ATOM 0 HA GLU A 24 11.272 6.413 0.778 1.00 54.45 H new ATOM 0 HB2 GLU A 24 10.089 5.815 -1.755 1.00 11.50 H new ATOM 0 HB3 GLU A 24 9.027 5.147 -0.532 1.00 11.50 H new ATOM 0 HG2 GLU A 24 9.970 7.863 0.112 1.00 71.11 H new ATOM 0 HG3 GLU A 24 9.072 7.782 -1.391 1.00 71.11 H new ATOM 428 N MET A 25 11.395 3.269 0.900 1.00 14.40 N ATOM 429 CA MET A 25 11.176 2.080 1.715 1.00 12.23 C ATOM 430 C MET A 25 11.979 2.153 3.010 1.00 44.22 C ATOM 431 O MET A 25 12.936 2.920 3.114 1.00 41.23 O ATOM 432 CB MET A 25 11.559 0.822 0.934 1.00 41.24 C ATOM 433 CG MET A 25 10.605 0.500 -0.205 1.00 42.33 C ATOM 434 SD MET A 25 8.955 0.061 0.374 1.00 63.42 S ATOM 435 CE MET A 25 9.298 -1.465 1.247 1.00 63.43 C ATOM 0 H MET A 25 12.124 3.168 0.193 1.00 14.40 H new ATOM 0 HA MET A 25 10.117 2.033 1.967 1.00 12.23 H new ATOM 0 HB2 MET A 25 12.564 0.946 0.531 1.00 41.24 H new ATOM 0 HB3 MET A 25 11.593 -0.025 1.619 1.00 41.24 H new ATOM 0 HG2 MET A 25 10.535 1.361 -0.870 1.00 42.33 H new ATOM 0 HG3 MET A 25 11.011 -0.324 -0.792 1.00 42.33 H new ATOM 0 HE1 MET A 25 8.375 -1.852 1.679 1.00 63.43 H new ATOM 0 HE2 MET A 25 9.709 -2.197 0.552 1.00 63.43 H new ATOM 0 HE3 MET A 25 10.019 -1.275 2.042 1.00 63.43 H new ATOM 445 N GLN A 26 11.584 1.351 3.993 1.00 73.12 N ATOM 446 CA GLN A 26 12.268 1.327 5.280 1.00 34.44 C ATOM 447 C GLN A 26 13.603 0.597 5.174 1.00 53.11 C ATOM 448 O GLN A 26 13.838 -0.187 4.254 1.00 10.21 O ATOM 449 CB GLN A 26 11.388 0.654 6.336 1.00 3.10 C ATOM 450 CG GLN A 26 10.816 1.623 7.358 1.00 52.00 C ATOM 451 CD GLN A 26 9.342 1.902 7.136 1.00 3.01 C ATOM 452 OE1 GLN A 26 8.963 2.563 6.169 1.00 15.01 O ATOM 453 NE2 GLN A 26 8.503 1.398 8.033 1.00 54.30 N ATOM 0 H GLN A 26 10.794 0.709 3.923 1.00 73.12 H new ATOM 0 HA GLN A 26 12.461 2.357 5.580 1.00 34.44 H new ATOM 0 HB2 GLN A 26 10.567 0.138 5.838 1.00 3.10 H new ATOM 0 HB3 GLN A 26 11.974 -0.105 6.855 1.00 3.10 H new ATOM 0 HG2 GLN A 26 10.958 1.215 8.359 1.00 52.00 H new ATOM 0 HG3 GLN A 26 11.370 2.561 7.314 1.00 52.00 H new ATOM 0 HE21 GLN A 26 8.862 0.856 8.819 1.00 54.30 H new ATOM 0 HE22 GLN A 26 7.499 1.553 7.936 1.00 54.30 H new ATOM 462 N PRO A 27 14.499 0.860 6.136 1.00 24.43 N ATOM 463 CA PRO A 27 15.826 0.238 6.173 1.00 64.13 C ATOM 464 C PRO A 27 15.761 -1.249 6.503 1.00 30.24 C ATOM 465 O PRO A 27 16.776 -1.944 6.486 1.00 42.35 O ATOM 466 CB PRO A 27 16.546 1.002 7.287 1.00 52.31 C ATOM 467 CG PRO A 27 15.454 1.503 8.168 1.00 2.24 C ATOM 468 CD PRO A 27 14.287 1.783 7.263 1.00 14.23 C ATOM 0 HA PRO A 27 16.328 0.293 5.207 1.00 64.13 H new ATOM 0 HB2 PRO A 27 17.230 0.353 7.834 1.00 52.31 H new ATOM 0 HB3 PRO A 27 17.139 1.824 6.885 1.00 52.31 H new ATOM 0 HG2 PRO A 27 15.192 0.763 8.924 1.00 2.24 H new ATOM 0 HG3 PRO A 27 15.762 2.405 8.697 1.00 2.24 H new ATOM 0 HD2 PRO A 27 13.337 1.595 7.763 1.00 14.23 H new ATOM 0 HD3 PRO A 27 14.274 2.822 6.934 1.00 14.23 H new ATOM 476 N ASN A 28 14.560 -1.731 6.805 1.00 74.55 N ATOM 477 CA ASN A 28 14.362 -3.137 7.139 1.00 23.14 C ATOM 478 C ASN A 28 12.983 -3.614 6.694 1.00 63.12 C ATOM 479 O ASN A 28 12.326 -4.383 7.394 1.00 31.03 O ATOM 480 CB ASN A 28 14.527 -3.352 8.645 1.00 34.13 C ATOM 481 CG ASN A 28 15.323 -4.602 8.967 1.00 4.55 C ATOM 482 OD1 ASN A 28 16.243 -4.970 8.237 1.00 63.10 O ATOM 483 ND2 ASN A 28 14.972 -5.260 10.066 1.00 64.11 N ATOM 0 H ASN A 28 13.709 -1.169 6.825 1.00 74.55 H new ATOM 0 HA ASN A 28 15.116 -3.720 6.610 1.00 23.14 H new ATOM 0 HB2 ASN A 28 15.025 -2.486 9.081 1.00 34.13 H new ATOM 0 HB3 ASN A 28 13.543 -3.421 9.109 1.00 34.13 H new ATOM 0 HD21 ASN A 28 15.472 -6.107 10.335 1.00 64.11 H new ATOM 0 HD22 ASN A 28 14.202 -4.918 10.641 1.00 64.11 H new ATOM 490 N GLU A 29 12.553 -3.152 5.524 1.00 72.21 N ATOM 491 CA GLU A 29 11.252 -3.532 4.985 1.00 11.25 C ATOM 492 C GLU A 29 11.411 -4.398 3.739 1.00 33.02 C ATOM 493 O GLU A 29 12.474 -4.424 3.119 1.00 53.13 O ATOM 494 CB GLU A 29 10.430 -2.285 4.652 1.00 34.31 C ATOM 495 CG GLU A 29 9.304 -2.018 5.637 1.00 54.33 C ATOM 496 CD GLU A 29 8.221 -1.128 5.057 1.00 31.30 C ATOM 497 OE1 GLU A 29 7.779 -1.395 3.920 1.00 12.21 O ATOM 498 OE2 GLU A 29 7.816 -0.165 5.741 1.00 34.34 O ATOM 0 H GLU A 29 13.086 -2.515 4.932 1.00 72.21 H new ATOM 0 HA GLU A 29 10.728 -4.112 5.744 1.00 11.25 H new ATOM 0 HB2 GLU A 29 11.092 -1.420 4.627 1.00 34.31 H new ATOM 0 HB3 GLU A 29 10.009 -2.394 3.652 1.00 34.31 H new ATOM 0 HG2 GLU A 29 8.864 -2.966 5.945 1.00 54.33 H new ATOM 0 HG3 GLU A 29 9.713 -1.550 6.533 1.00 54.33 H new ATOM 505 N VAL A 30 10.346 -5.107 3.379 1.00 74.02 N ATOM 506 CA VAL A 30 10.365 -5.974 2.207 1.00 64.31 C ATOM 507 C VAL A 30 9.789 -5.264 0.988 1.00 53.34 C ATOM 508 O VAL A 30 8.836 -4.493 1.099 1.00 42.43 O ATOM 509 CB VAL A 30 9.572 -7.271 2.455 1.00 53.11 C ATOM 510 CG1 VAL A 30 8.080 -7.024 2.288 1.00 61.43 C ATOM 511 CG2 VAL A 30 10.046 -8.373 1.520 1.00 45.34 C ATOM 0 H VAL A 30 9.459 -5.098 3.882 1.00 74.02 H new ATOM 0 HA VAL A 30 11.408 -6.226 2.017 1.00 64.31 H new ATOM 0 HB VAL A 30 9.750 -7.595 3.480 1.00 53.11 H new ATOM 0 HG11 VAL A 30 7.535 -7.951 2.467 1.00 61.43 H new ATOM 0 HG12 VAL A 30 7.754 -6.268 3.003 1.00 61.43 H new ATOM 0 HG13 VAL A 30 7.880 -6.676 1.275 1.00 61.43 H new ATOM 0 HG21 VAL A 30 9.475 -9.282 1.710 1.00 45.34 H new ATOM 0 HG22 VAL A 30 9.899 -8.061 0.486 1.00 45.34 H new ATOM 0 HG23 VAL A 30 11.104 -8.567 1.694 1.00 45.34 H new ATOM 521 N ALA A 31 10.373 -5.529 -0.176 1.00 74.53 N ATOM 522 CA ALA A 31 9.915 -4.918 -1.418 1.00 3.53 C ATOM 523 C ALA A 31 9.662 -5.973 -2.489 1.00 52.40 C ATOM 524 O ALA A 31 10.593 -6.623 -2.966 1.00 13.34 O ATOM 525 CB ALA A 31 10.932 -3.897 -1.909 1.00 33.31 C ATOM 0 H ALA A 31 11.165 -6.163 -0.285 1.00 74.53 H new ATOM 0 HA ALA A 31 8.972 -4.409 -1.218 1.00 3.53 H new ATOM 0 HB1 ALA A 31 10.578 -3.448 -2.837 1.00 33.31 H new ATOM 0 HB2 ALA A 31 11.060 -3.120 -1.156 1.00 33.31 H new ATOM 0 HB3 ALA A 31 11.887 -4.391 -2.086 1.00 33.31 H new ATOM 531 N ILE A 32 8.397 -6.138 -2.863 1.00 4.14 N ATOM 532 CA ILE A 32 8.023 -7.114 -3.878 1.00 32.20 C ATOM 533 C ILE A 32 8.087 -6.506 -5.275 1.00 73.41 C ATOM 534 O ILE A 32 7.233 -5.705 -5.655 1.00 34.01 O ATOM 535 CB ILE A 32 6.605 -7.664 -3.634 1.00 61.31 C ATOM 536 CG1 ILE A 32 6.583 -8.538 -2.378 1.00 74.13 C ATOM 537 CG2 ILE A 32 6.128 -8.454 -4.844 1.00 11.21 C ATOM 538 CD1 ILE A 32 5.525 -8.130 -1.377 1.00 74.11 C ATOM 0 H ILE A 32 7.615 -5.608 -2.478 1.00 4.14 H new ATOM 0 HA ILE A 32 8.739 -7.933 -3.808 1.00 32.20 H new ATOM 0 HB ILE A 32 5.926 -6.825 -3.482 1.00 61.31 H new ATOM 0 HG12 ILE A 32 6.415 -9.575 -2.669 1.00 74.13 H new ATOM 0 HG13 ILE A 32 7.561 -8.496 -1.899 1.00 74.13 H new ATOM 0 HG21 ILE A 32 5.125 -8.836 -4.656 1.00 11.21 H new ATOM 0 HG22 ILE A 32 6.111 -7.804 -5.719 1.00 11.21 H new ATOM 0 HG23 ILE A 32 6.806 -9.288 -5.024 1.00 11.21 H new ATOM 0 HD11 ILE A 32 5.567 -8.793 -0.513 1.00 74.11 H new ATOM 0 HD12 ILE A 32 5.704 -7.104 -1.057 1.00 74.11 H new ATOM 0 HD13 ILE A 32 4.540 -8.199 -1.840 1.00 74.11 H new ATOM 550 N PHE A 33 9.104 -6.894 -6.037 1.00 71.31 N ATOM 551 CA PHE A 33 9.279 -6.388 -7.394 1.00 24.45 C ATOM 552 C PHE A 33 8.811 -7.414 -8.421 1.00 74.14 C ATOM 553 O PHE A 33 9.229 -8.571 -8.394 1.00 71.24 O ATOM 554 CB PHE A 33 10.747 -6.034 -7.643 1.00 30.24 C ATOM 555 CG PHE A 33 11.290 -5.017 -6.680 1.00 54.32 C ATOM 556 CD1 PHE A 33 10.502 -3.961 -6.250 1.00 73.21 C ATOM 557 CD2 PHE A 33 12.587 -5.116 -6.205 1.00 44.13 C ATOM 558 CE1 PHE A 33 10.999 -3.023 -5.365 1.00 70.23 C ATOM 559 CE2 PHE A 33 13.090 -4.181 -5.320 1.00 1.01 C ATOM 560 CZ PHE A 33 12.294 -3.134 -4.899 1.00 3.24 C ATOM 0 H PHE A 33 9.819 -7.557 -5.738 1.00 71.31 H new ATOM 0 HA PHE A 33 8.672 -5.489 -7.501 1.00 24.45 H new ATOM 0 HB2 PHE A 33 11.347 -6.941 -7.578 1.00 30.24 H new ATOM 0 HB3 PHE A 33 10.854 -5.654 -8.659 1.00 30.24 H new ATOM 0 HD1 PHE A 33 9.488 -3.870 -6.611 1.00 73.21 H new ATOM 0 HD2 PHE A 33 13.213 -5.934 -6.530 1.00 44.13 H new ATOM 0 HE1 PHE A 33 10.375 -2.204 -5.038 1.00 70.23 H new ATOM 0 HE2 PHE A 33 14.104 -4.269 -4.958 1.00 1.01 H new ATOM 0 HZ PHE A 33 12.684 -2.403 -4.206 1.00 3.24 H new ATOM 570 N MET A 34 7.939 -6.981 -9.326 1.00 51.50 N ATOM 571 CA MET A 34 7.413 -7.860 -10.363 1.00 63.44 C ATOM 572 C MET A 34 8.166 -7.664 -11.676 1.00 13.14 C ATOM 573 O MET A 34 8.253 -6.550 -12.192 1.00 55.40 O ATOM 574 CB MET A 34 5.920 -7.601 -10.574 1.00 44.32 C ATOM 575 CG MET A 34 5.063 -8.850 -10.452 1.00 0.13 C ATOM 576 SD MET A 34 3.313 -8.521 -10.733 1.00 34.12 S ATOM 577 CE MET A 34 2.767 -8.146 -9.069 1.00 1.35 C ATOM 0 H MET A 34 7.582 -6.026 -9.362 1.00 51.50 H new ATOM 0 HA MET A 34 7.552 -8.890 -10.035 1.00 63.44 H new ATOM 0 HB2 MET A 34 5.581 -6.865 -9.845 1.00 44.32 H new ATOM 0 HB3 MET A 34 5.772 -7.164 -11.561 1.00 44.32 H new ATOM 0 HG2 MET A 34 5.409 -9.595 -11.169 1.00 0.13 H new ATOM 0 HG3 MET A 34 5.193 -9.280 -9.459 1.00 0.13 H new ATOM 0 HE1 MET A 34 1.701 -7.920 -9.078 1.00 1.35 H new ATOM 0 HE2 MET A 34 2.951 -9.005 -8.424 1.00 1.35 H new ATOM 0 HE3 MET A 34 3.317 -7.284 -8.691 1.00 1.35 H new ATOM 587 N PHE A 35 8.709 -8.753 -12.210 1.00 54.21 N ATOM 588 CA PHE A 35 9.455 -8.699 -13.462 1.00 30.33 C ATOM 589 C PHE A 35 8.902 -9.704 -14.468 1.00 23.51 C ATOM 590 O PHE A 35 8.713 -10.878 -14.148 1.00 40.52 O ATOM 591 CB PHE A 35 10.938 -8.977 -13.208 1.00 60.51 C ATOM 592 CG PHE A 35 11.212 -10.373 -12.724 1.00 11.44 C ATOM 593 CD1 PHE A 35 10.855 -10.757 -11.441 1.00 61.54 C ATOM 594 CD2 PHE A 35 11.827 -11.299 -13.550 1.00 52.05 C ATOM 595 CE1 PHE A 35 11.105 -12.041 -10.993 1.00 4.45 C ATOM 596 CE2 PHE A 35 12.079 -12.583 -13.107 1.00 62.53 C ATOM 597 CZ PHE A 35 11.719 -12.954 -11.826 1.00 62.45 C ATOM 0 H PHE A 35 8.647 -9.683 -11.796 1.00 54.21 H new ATOM 0 HA PHE A 35 9.346 -7.698 -13.879 1.00 30.33 H new ATOM 0 HB2 PHE A 35 11.495 -8.805 -14.129 1.00 60.51 H new ATOM 0 HB3 PHE A 35 11.312 -8.266 -12.472 1.00 60.51 H new ATOM 0 HD1 PHE A 35 10.376 -10.046 -10.784 1.00 61.54 H new ATOM 0 HD2 PHE A 35 12.113 -11.014 -14.552 1.00 52.05 H new ATOM 0 HE1 PHE A 35 10.820 -12.329 -9.992 1.00 4.45 H new ATOM 0 HE2 PHE A 35 12.557 -13.296 -13.762 1.00 62.53 H new ATOM 0 HZ PHE A 35 11.918 -13.957 -11.477 1.00 62.45 H new ATOM 607 N GLU A 36 8.645 -9.235 -15.685 1.00 2.43 N ATOM 608 CA GLU A 36 8.113 -10.092 -16.737 1.00 52.12 C ATOM 609 C GLU A 36 9.231 -10.598 -17.644 1.00 53.34 C ATOM 610 O GLU A 36 9.094 -11.631 -18.300 1.00 2.12 O ATOM 611 CB GLU A 36 7.072 -9.335 -17.565 1.00 45.41 C ATOM 612 CG GLU A 36 7.679 -8.363 -18.564 1.00 21.24 C ATOM 613 CD GLU A 36 8.001 -9.018 -19.893 1.00 13.10 C ATOM 614 OE1 GLU A 36 7.065 -9.228 -20.693 1.00 45.43 O ATOM 615 OE2 GLU A 36 9.189 -9.320 -20.133 1.00 35.44 O ATOM 0 H GLU A 36 8.797 -8.266 -15.966 1.00 2.43 H new ATOM 0 HA GLU A 36 7.636 -10.950 -16.264 1.00 52.12 H new ATOM 0 HB2 GLU A 36 6.453 -10.055 -18.101 1.00 45.41 H new ATOM 0 HB3 GLU A 36 6.413 -8.787 -16.892 1.00 45.41 H new ATOM 0 HG2 GLU A 36 6.987 -7.537 -18.728 1.00 21.24 H new ATOM 0 HG3 GLU A 36 8.590 -7.937 -18.143 1.00 21.24 H new ATOM 688 N ASN A 42 19.174 -9.092 -13.179 1.00 54.21 N ATOM 689 CA ASN A 42 19.002 -7.650 -13.041 1.00 22.12 C ATOM 690 C ASN A 42 18.212 -7.315 -11.779 1.00 42.34 C ATOM 691 O ASN A 42 18.348 -6.226 -11.221 1.00 50.53 O ATOM 692 CB ASN A 42 18.290 -7.080 -14.269 1.00 34.10 C ATOM 693 CG ASN A 42 19.261 -6.602 -15.331 1.00 71.41 C ATOM 694 OD1 ASN A 42 19.623 -5.426 -15.373 1.00 73.44 O ATOM 695 ND2 ASN A 42 19.688 -7.515 -16.196 1.00 34.31 N ATOM 0 HA ASN A 42 19.990 -7.197 -12.961 1.00 22.12 H new ATOM 0 HB2 ASN A 42 17.638 -7.843 -14.694 1.00 34.10 H new ATOM 0 HB3 ASN A 42 17.653 -6.250 -13.963 1.00 34.10 H new ATOM 0 HD21 ASN A 42 20.343 -7.253 -16.933 1.00 34.31 H new ATOM 0 HD22 ASN A 42 19.361 -8.479 -16.123 1.00 34.31 H new ATOM 702 N ILE A 43 17.388 -8.258 -11.336 1.00 10.20 N ATOM 703 CA ILE A 43 16.578 -8.063 -10.140 1.00 10.01 C ATOM 704 C ILE A 43 17.425 -7.553 -8.979 1.00 64.50 C ATOM 705 O ILE A 43 17.149 -6.509 -8.388 1.00 25.41 O ATOM 706 CB ILE A 43 15.878 -9.367 -9.716 1.00 35.42 C ATOM 707 CG1 ILE A 43 14.530 -9.503 -10.428 1.00 21.21 C ATOM 708 CG2 ILE A 43 15.691 -9.402 -8.206 1.00 52.43 C ATOM 709 CD1 ILE A 43 13.533 -8.432 -10.045 1.00 4.23 C ATOM 0 H ILE A 43 17.264 -9.164 -11.787 1.00 10.20 H new ATOM 0 HA ILE A 43 15.822 -7.318 -10.389 1.00 10.01 H new ATOM 0 HB ILE A 43 16.507 -10.209 -10.004 1.00 35.42 H new ATOM 0 HG12 ILE A 43 14.692 -9.468 -11.505 1.00 21.21 H new ATOM 0 HG13 ILE A 43 14.105 -10.481 -10.201 1.00 21.21 H new ATOM 0 HG21 ILE A 43 15.195 -10.330 -7.922 1.00 52.43 H new ATOM 0 HG22 ILE A 43 16.664 -9.347 -7.718 1.00 52.43 H new ATOM 0 HG23 ILE A 43 15.080 -8.554 -7.895 1.00 52.43 H new ATOM 0 HD11 ILE A 43 12.601 -8.591 -10.588 1.00 4.23 H new ATOM 0 HD12 ILE A 43 13.341 -8.480 -8.973 1.00 4.23 H new ATOM 0 HD13 ILE A 43 13.937 -7.452 -10.298 1.00 4.23 H new ATOM 721 N PRO A 44 18.484 -8.306 -8.644 1.00 70.13 N ATOM 722 CA PRO A 44 19.395 -7.949 -7.553 1.00 65.40 C ATOM 723 C PRO A 44 20.245 -6.727 -7.884 1.00 23.34 C ATOM 724 O PRO A 44 20.760 -6.055 -6.989 1.00 73.34 O ATOM 725 CB PRO A 44 20.278 -9.191 -7.408 1.00 65.41 C ATOM 726 CG PRO A 44 20.242 -9.841 -8.748 1.00 54.14 C ATOM 727 CD PRO A 44 18.873 -9.563 -9.306 1.00 32.04 C ATOM 0 HA PRO A 44 18.857 -7.683 -6.643 1.00 65.40 H new ATOM 0 HB2 PRO A 44 21.296 -8.922 -7.126 1.00 65.41 H new ATOM 0 HB3 PRO A 44 19.898 -9.858 -6.634 1.00 65.41 H new ATOM 0 HG2 PRO A 44 21.018 -9.438 -9.399 1.00 54.14 H new ATOM 0 HG3 PRO A 44 20.420 -10.913 -8.667 1.00 54.14 H new ATOM 0 HD2 PRO A 44 18.895 -9.456 -10.391 1.00 32.04 H new ATOM 0 HD3 PRO A 44 18.175 -10.369 -9.079 1.00 32.04 H new ATOM 735 N LYS A 45 20.389 -6.444 -9.174 1.00 11.32 N ATOM 736 CA LYS A 45 21.175 -5.301 -9.624 1.00 30.14 C ATOM 737 C LYS A 45 20.517 -3.990 -9.206 1.00 50.22 C ATOM 738 O LYS A 45 21.194 -2.983 -8.999 1.00 2.00 O ATOM 739 CB LYS A 45 21.343 -5.338 -11.144 1.00 72.33 C ATOM 740 CG LYS A 45 22.680 -4.799 -11.622 1.00 61.30 C ATOM 741 CD LYS A 45 22.502 -3.615 -12.558 1.00 30.52 C ATOM 742 CE LYS A 45 23.759 -3.357 -13.374 1.00 53.55 C ATOM 743 NZ LYS A 45 24.860 -2.805 -12.538 1.00 1.03 N ATOM 0 H LYS A 45 19.971 -6.991 -9.927 1.00 11.32 H new ATOM 0 HA LYS A 45 22.157 -5.360 -9.155 1.00 30.14 H new ATOM 0 HB2 LYS A 45 21.231 -6.366 -11.488 1.00 72.33 H new ATOM 0 HB3 LYS A 45 20.542 -4.759 -11.604 1.00 72.33 H new ATOM 0 HG2 LYS A 45 23.280 -4.498 -10.763 1.00 61.30 H new ATOM 0 HG3 LYS A 45 23.230 -5.589 -12.134 1.00 61.30 H new ATOM 0 HD2 LYS A 45 21.664 -3.803 -13.229 1.00 30.52 H new ATOM 0 HD3 LYS A 45 22.254 -2.726 -11.979 1.00 30.52 H new ATOM 0 HE2 LYS A 45 24.087 -4.287 -13.839 1.00 53.55 H new ATOM 0 HE3 LYS A 45 23.531 -2.660 -14.181 1.00 53.55 H new ATOM 0 HZ1 LYS A 45 25.699 -2.643 -13.131 1.00 1.03 H new ATOM 0 HZ2 LYS A 45 24.557 -1.905 -12.115 1.00 1.03 H new ATOM 0 HZ3 LYS A 45 25.095 -3.481 -11.783 1.00 1.03 H new ATOM 757 N SER A 46 19.194 -4.010 -9.083 1.00 54.24 N ATOM 758 CA SER A 46 18.444 -2.821 -8.693 1.00 22.53 C ATOM 759 C SER A 46 18.655 -2.508 -7.214 1.00 75.24 C ATOM 760 O SER A 46 19.057 -1.402 -6.854 1.00 75.32 O ATOM 761 CB SER A 46 16.954 -3.016 -8.977 1.00 73.24 C ATOM 762 OG SER A 46 16.730 -4.186 -9.745 1.00 33.22 O ATOM 0 H SER A 46 18.619 -4.836 -9.248 1.00 54.24 H new ATOM 0 HA SER A 46 18.811 -1.980 -9.281 1.00 22.53 H new ATOM 0 HB2 SER A 46 16.407 -3.084 -8.037 1.00 73.24 H new ATOM 0 HB3 SER A 46 16.565 -2.148 -9.509 1.00 73.24 H new ATOM 0 HG SER A 46 16.744 -4.970 -9.158 1.00 33.22 H new ATOM 768 N ALA A 47 18.379 -3.491 -6.363 1.00 4.21 N ATOM 769 CA ALA A 47 18.540 -3.322 -4.924 1.00 51.00 C ATOM 770 C ALA A 47 19.978 -2.960 -4.571 1.00 4.12 C ATOM 771 O ALA A 47 20.242 -2.387 -3.514 1.00 72.11 O ATOM 772 CB ALA A 47 18.118 -4.588 -4.194 1.00 32.32 C ATOM 0 H ALA A 47 18.043 -4.412 -6.645 1.00 4.21 H new ATOM 0 HA ALA A 47 17.898 -2.501 -4.606 1.00 51.00 H new ATOM 0 HB1 ALA A 47 18.243 -4.448 -3.120 1.00 32.32 H new ATOM 0 HB2 ALA A 47 17.072 -4.802 -4.412 1.00 32.32 H new ATOM 0 HB3 ALA A 47 18.736 -5.422 -4.526 1.00 32.32 H new ATOM 778 N GLU A 48 20.905 -3.299 -5.462 1.00 10.50 N ATOM 779 CA GLU A 48 22.317 -3.010 -5.242 1.00 2.41 C ATOM 780 C GLU A 48 22.610 -1.528 -5.462 1.00 63.31 C ATOM 781 O GLU A 48 23.518 -0.966 -4.849 1.00 50.23 O ATOM 782 CB GLU A 48 23.185 -3.857 -6.175 1.00 3.33 C ATOM 783 CG GLU A 48 24.657 -3.866 -5.795 1.00 75.42 C ATOM 784 CD GLU A 48 25.473 -2.873 -6.599 1.00 11.13 C ATOM 785 OE1 GLU A 48 25.204 -2.724 -7.809 1.00 15.22 O ATOM 786 OE2 GLU A 48 26.381 -2.244 -6.016 1.00 65.15 O ATOM 0 H GLU A 48 20.703 -3.774 -6.342 1.00 10.50 H new ATOM 0 HA GLU A 48 22.556 -3.260 -4.208 1.00 2.41 H new ATOM 0 HB2 GLU A 48 22.812 -4.881 -6.175 1.00 3.33 H new ATOM 0 HB3 GLU A 48 23.083 -3.481 -7.193 1.00 3.33 H new ATOM 0 HG2 GLU A 48 24.756 -3.637 -4.734 1.00 75.42 H new ATOM 0 HG3 GLU A 48 25.061 -4.867 -5.944 1.00 75.42 H new ATOM 793 N PHE A 49 21.836 -0.902 -6.342 1.00 35.41 N ATOM 794 CA PHE A 49 22.012 0.513 -6.645 1.00 61.01 C ATOM 795 C PHE A 49 21.938 1.355 -5.375 1.00 25.35 C ATOM 796 O PHE A 49 22.475 2.462 -5.319 1.00 30.31 O ATOM 797 CB PHE A 49 20.949 0.979 -7.642 1.00 13.34 C ATOM 798 CG PHE A 49 21.522 1.615 -8.876 1.00 13.53 C ATOM 799 CD1 PHE A 49 21.831 2.966 -8.895 1.00 53.12 C ATOM 800 CD2 PHE A 49 21.752 0.863 -10.016 1.00 72.11 C ATOM 801 CE1 PHE A 49 22.357 3.554 -10.030 1.00 22.12 C ATOM 802 CE2 PHE A 49 22.279 1.445 -11.154 1.00 14.34 C ATOM 803 CZ PHE A 49 22.583 2.792 -11.160 1.00 14.51 C ATOM 0 H PHE A 49 21.080 -1.353 -6.858 1.00 35.41 H new ATOM 0 HA PHE A 49 22.999 0.643 -7.089 1.00 61.01 H new ATOM 0 HB2 PHE A 49 20.337 0.125 -7.934 1.00 13.34 H new ATOM 0 HB3 PHE A 49 20.288 1.692 -7.149 1.00 13.34 H new ATOM 0 HD1 PHE A 49 21.659 3.566 -8.013 1.00 53.12 H new ATOM 0 HD2 PHE A 49 21.517 -0.191 -10.016 1.00 72.11 H new ATOM 0 HE1 PHE A 49 22.591 4.608 -10.033 1.00 22.12 H new ATOM 0 HE2 PHE A 49 22.453 0.847 -12.037 1.00 14.34 H new ATOM 0 HZ PHE A 49 22.997 3.249 -12.047 1.00 14.51 H new ATOM 813 N ILE A 50 21.270 0.822 -4.357 1.00 42.11 N ATOM 814 CA ILE A 50 21.127 1.523 -3.087 1.00 54.34 C ATOM 815 C ILE A 50 22.403 1.426 -2.258 1.00 73.12 C ATOM 816 O ILE A 50 23.080 2.427 -2.025 1.00 31.54 O ATOM 817 CB ILE A 50 19.950 0.965 -2.266 1.00 30.54 C ATOM 818 CG1 ILE A 50 18.664 0.990 -3.094 1.00 33.51 C ATOM 819 CG2 ILE A 50 19.775 1.761 -0.981 1.00 41.45 C ATOM 820 CD1 ILE A 50 18.158 2.386 -3.382 1.00 35.41 C ATOM 0 H ILE A 50 20.820 -0.093 -4.387 1.00 42.11 H new ATOM 0 HA ILE A 50 20.930 2.569 -3.324 1.00 54.34 H new ATOM 0 HB ILE A 50 20.169 -0.070 -2.002 1.00 30.54 H new ATOM 0 HG12 ILE A 50 18.839 0.474 -4.038 1.00 33.51 H new ATOM 0 HG13 ILE A 50 17.890 0.434 -2.565 1.00 33.51 H new ATOM 0 HG21 ILE A 50 18.939 1.354 -0.412 1.00 41.45 H new ATOM 0 HG22 ILE A 50 20.686 1.695 -0.385 1.00 41.45 H new ATOM 0 HG23 ILE A 50 19.575 2.805 -1.224 1.00 41.45 H new ATOM 0 HD11 ILE A 50 17.244 2.327 -3.973 1.00 35.41 H new ATOM 0 HD12 ILE A 50 17.951 2.899 -2.443 1.00 35.41 H new ATOM 0 HD13 ILE A 50 18.914 2.940 -3.938 1.00 35.41 H new ATOM 832 N GLN A 51 22.725 0.214 -1.818 1.00 72.11 N ATOM 833 CA GLN A 51 23.921 -0.014 -1.016 1.00 31.02 C ATOM 834 C GLN A 51 24.484 -1.410 -1.263 1.00 1.35 C ATOM 835 O GLN A 51 23.747 -2.396 -1.263 1.00 5.12 O ATOM 836 CB GLN A 51 23.606 0.166 0.470 1.00 12.42 C ATOM 837 CG GLN A 51 24.662 0.957 1.225 1.00 45.25 C ATOM 838 CD GLN A 51 24.368 1.057 2.708 1.00 22.03 C ATOM 839 OE1 GLN A 51 25.247 0.840 3.543 1.00 33.52 O ATOM 840 NE2 GLN A 51 23.127 1.388 3.045 1.00 70.41 N ATOM 0 H GLN A 51 22.175 -0.625 -2.003 1.00 72.11 H new ATOM 0 HA GLN A 51 24.672 0.718 -1.312 1.00 31.02 H new ATOM 0 HB2 GLN A 51 22.645 0.671 0.570 1.00 12.42 H new ATOM 0 HB3 GLN A 51 23.500 -0.816 0.932 1.00 12.42 H new ATOM 0 HG2 GLN A 51 25.634 0.485 1.082 1.00 45.25 H new ATOM 0 HG3 GLN A 51 24.729 1.960 0.804 1.00 45.25 H new ATOM 0 HE21 GLN A 51 22.430 1.559 2.320 1.00 70.41 H new ATOM 0 HE22 GLN A 51 22.871 1.471 4.029 1.00 70.41 H new ATOM 849 N SER A 52 25.794 -1.485 -1.473 1.00 24.14 N ATOM 850 CA SER A 52 26.456 -2.760 -1.725 1.00 0.20 C ATOM 851 C SER A 52 26.077 -3.788 -0.664 1.00 33.23 C ATOM 852 O SER A 52 26.011 -4.986 -0.939 1.00 35.53 O ATOM 853 CB SER A 52 27.974 -2.574 -1.752 1.00 4.04 C ATOM 854 OG SER A 52 28.611 -3.668 -2.389 1.00 51.32 O ATOM 0 H SER A 52 26.418 -0.678 -1.474 1.00 24.14 H new ATOM 0 HA SER A 52 26.125 -3.127 -2.696 1.00 0.20 H new ATOM 0 HB2 SER A 52 28.221 -1.650 -2.275 1.00 4.04 H new ATOM 0 HB3 SER A 52 28.349 -2.473 -0.734 1.00 4.04 H new ATOM 0 HG SER A 52 29.580 -3.524 -2.395 1.00 51.32 H new ATOM 860 N LYS A 53 25.828 -3.311 0.551 1.00 22.12 N ATOM 861 CA LYS A 53 25.454 -4.186 1.656 1.00 70.33 C ATOM 862 C LYS A 53 24.115 -3.766 2.253 1.00 31.22 C ATOM 863 O LYS A 53 23.916 -2.602 2.597 1.00 14.11 O ATOM 864 CB LYS A 53 26.536 -4.167 2.738 1.00 71.12 C ATOM 865 CG LYS A 53 27.079 -2.779 3.030 1.00 30.14 C ATOM 866 CD LYS A 53 27.684 -2.699 4.422 1.00 62.01 C ATOM 867 CE LYS A 53 29.204 -2.709 4.370 1.00 43.11 C ATOM 868 NZ LYS A 53 29.802 -1.890 5.461 1.00 72.02 N ATOM 0 H LYS A 53 25.879 -2.322 0.796 1.00 22.12 H new ATOM 0 HA LYS A 53 25.356 -5.200 1.267 1.00 70.33 H new ATOM 0 HB2 LYS A 53 26.127 -4.589 3.656 1.00 71.12 H new ATOM 0 HB3 LYS A 53 27.358 -4.812 2.429 1.00 71.12 H new ATOM 0 HG2 LYS A 53 27.834 -2.519 2.288 1.00 30.14 H new ATOM 0 HG3 LYS A 53 26.277 -2.047 2.938 1.00 30.14 H new ATOM 0 HD2 LYS A 53 27.342 -1.790 4.917 1.00 62.01 H new ATOM 0 HD3 LYS A 53 27.334 -3.540 5.021 1.00 62.01 H new ATOM 0 HE2 LYS A 53 29.563 -3.735 4.448 1.00 43.11 H new ATOM 0 HE3 LYS A 53 29.537 -2.327 3.405 1.00 43.11 H new ATOM 0 HZ1 LYS A 53 30.839 -1.922 5.391 1.00 72.02 H new ATOM 0 HZ2 LYS A 53 29.480 -0.905 5.372 1.00 72.02 H new ATOM 0 HZ3 LYS A 53 29.505 -2.270 6.383 1.00 72.02 H new ATOM 882 N GLY A 54 23.200 -4.723 2.375 1.00 32.12 N ATOM 883 CA GLY A 54 21.892 -4.432 2.933 1.00 60.21 C ATOM 884 C GLY A 54 20.763 -4.971 2.076 1.00 5.40 C ATOM 885 O GLY A 54 19.626 -5.082 2.534 1.00 73.44 O ATOM 0 H GLY A 54 23.341 -5.694 2.097 1.00 32.12 H new ATOM 0 HA2 GLY A 54 21.823 -4.862 3.932 1.00 60.21 H new ATOM 0 HA3 GLY A 54 21.779 -3.353 3.042 1.00 60.21 H new ATOM 889 N HIS A 55 21.077 -5.304 0.828 1.00 2.20 N ATOM 890 CA HIS A 55 20.080 -5.833 -0.096 1.00 11.52 C ATOM 891 C HIS A 55 20.345 -7.305 -0.397 1.00 12.40 C ATOM 892 O HIS A 55 21.395 -7.659 -0.931 1.00 42.30 O ATOM 893 CB HIS A 55 20.079 -5.026 -1.395 1.00 22.31 C ATOM 894 CG HIS A 55 21.299 -5.245 -2.236 1.00 50.21 C ATOM 895 ND1 HIS A 55 22.563 -4.856 -1.845 1.00 33.35 N ATOM 896 CD2 HIS A 55 21.443 -5.817 -3.454 1.00 64.02 C ATOM 897 CE1 HIS A 55 23.432 -5.179 -2.786 1.00 55.51 C ATOM 898 NE2 HIS A 55 22.778 -5.763 -3.774 1.00 31.33 N ATOM 0 H HIS A 55 22.014 -5.217 0.433 1.00 2.20 H new ATOM 0 HA HIS A 55 19.101 -5.748 0.376 1.00 11.52 H new ATOM 0 HB2 HIS A 55 19.195 -5.289 -1.976 1.00 22.31 H new ATOM 0 HB3 HIS A 55 19.999 -3.966 -1.155 1.00 22.31 H new ATOM 0 HD2 HIS A 55 20.655 -6.238 -4.061 1.00 64.02 H new ATOM 0 HE1 HIS A 55 24.496 -4.997 -2.753 1.00 55.51 H new ATOM 0 HE2 HIS A 55 23.196 -6.116 -4.635 1.00 31.33 H new ATOM 906 N GLU A 56 19.385 -8.157 -0.050 1.00 2.32 N ATOM 907 CA GLU A 56 19.517 -9.590 -0.282 1.00 71.31 C ATOM 908 C GLU A 56 18.164 -10.214 -0.614 1.00 64.14 C ATOM 909 O GLU A 56 17.229 -10.158 0.185 1.00 54.54 O ATOM 910 CB GLU A 56 20.119 -10.275 0.947 1.00 73.34 C ATOM 911 CG GLU A 56 21.394 -11.047 0.650 1.00 52.30 C ATOM 912 CD GLU A 56 21.154 -12.537 0.504 1.00 14.23 C ATOM 913 OE1 GLU A 56 20.037 -12.922 0.100 1.00 52.45 O ATOM 914 OE2 GLU A 56 22.084 -13.318 0.795 1.00 35.21 O ATOM 0 H GLU A 56 18.509 -7.880 0.392 1.00 2.32 H new ATOM 0 HA GLU A 56 20.183 -9.735 -1.132 1.00 71.31 H new ATOM 0 HB2 GLU A 56 20.329 -9.522 1.706 1.00 73.34 H new ATOM 0 HB3 GLU A 56 19.381 -10.957 1.370 1.00 73.34 H new ATOM 0 HG2 GLU A 56 21.841 -10.663 -0.267 1.00 52.30 H new ATOM 0 HG3 GLU A 56 22.113 -10.876 1.451 1.00 52.30 H new ATOM 921 N LEU A 57 18.069 -10.808 -1.799 1.00 32.24 N ATOM 922 CA LEU A 57 16.831 -11.443 -2.238 1.00 40.25 C ATOM 923 C LEU A 57 16.572 -12.728 -1.460 1.00 35.35 C ATOM 924 O LEU A 57 17.164 -13.770 -1.744 1.00 41.13 O ATOM 925 CB LEU A 57 16.894 -11.745 -3.737 1.00 1.23 C ATOM 926 CG LEU A 57 16.849 -10.533 -4.668 1.00 75.02 C ATOM 927 CD1 LEU A 57 15.647 -9.658 -4.347 1.00 1.30 C ATOM 928 CD2 LEU A 57 18.138 -9.731 -4.564 1.00 31.41 C ATOM 0 H LEU A 57 18.833 -10.863 -2.472 1.00 32.24 H new ATOM 0 HA LEU A 57 16.010 -10.753 -2.046 1.00 40.25 H new ATOM 0 HB2 LEU A 57 17.811 -12.298 -3.938 1.00 1.23 H new ATOM 0 HB3 LEU A 57 16.063 -12.403 -3.990 1.00 1.23 H new ATOM 0 HG LEU A 57 16.749 -10.890 -5.693 1.00 75.02 H new ATOM 0 HD11 LEU A 57 15.631 -8.800 -5.020 1.00 1.30 H new ATOM 0 HD12 LEU A 57 14.732 -10.236 -4.475 1.00 1.30 H new ATOM 0 HD13 LEU A 57 15.715 -9.310 -3.316 1.00 1.30 H new ATOM 0 HD21 LEU A 57 18.087 -8.872 -5.234 1.00 31.41 H new ATOM 0 HD22 LEU A 57 18.269 -9.384 -3.539 1.00 31.41 H new ATOM 0 HD23 LEU A 57 18.982 -10.361 -4.845 1.00 31.41 H new ATOM 940 N LEU A 58 15.681 -12.649 -0.477 1.00 1.21 N ATOM 941 CA LEU A 58 15.341 -13.807 0.342 1.00 15.35 C ATOM 942 C LEU A 58 14.944 -14.993 -0.530 1.00 34.31 C ATOM 943 O LEU A 58 15.634 -16.011 -0.561 1.00 75.41 O ATOM 944 CB LEU A 58 14.200 -13.460 1.301 1.00 22.03 C ATOM 945 CG LEU A 58 14.599 -13.207 2.756 1.00 64.44 C ATOM 946 CD1 LEU A 58 13.992 -11.907 3.258 1.00 41.44 C ATOM 947 CD2 LEU A 58 14.172 -14.373 3.636 1.00 12.41 C ATOM 0 H LEU A 58 15.181 -11.795 -0.228 1.00 1.21 H new ATOM 0 HA LEU A 58 16.223 -14.084 0.920 1.00 15.35 H new ATOM 0 HB2 LEU A 58 13.693 -12.571 0.924 1.00 22.03 H new ATOM 0 HB3 LEU A 58 13.475 -14.273 1.280 1.00 22.03 H new ATOM 0 HG LEU A 58 15.684 -13.119 2.805 1.00 64.44 H new ATOM 0 HD11 LEU A 58 14.287 -11.744 4.295 1.00 41.44 H new ATOM 0 HD12 LEU A 58 14.348 -11.079 2.645 1.00 41.44 H new ATOM 0 HD13 LEU A 58 12.905 -11.965 3.195 1.00 41.44 H new ATOM 0 HD21 LEU A 58 14.464 -14.176 4.668 1.00 12.41 H new ATOM 0 HD22 LEU A 58 13.090 -14.493 3.581 1.00 12.41 H new ATOM 0 HD23 LEU A 58 14.656 -15.286 3.290 1.00 12.41 H new ATOM 1088 N ASP A 67 5.523 -13.313 -15.744 1.00 72.03 N ATOM 1089 CA ASP A 67 6.029 -12.362 -14.761 1.00 70.41 C ATOM 1090 C ASP A 67 5.859 -12.903 -13.345 1.00 32.02 C ATOM 1091 O ASP A 67 4.762 -13.296 -12.948 1.00 30.51 O ATOM 1092 CB ASP A 67 5.307 -11.021 -14.898 1.00 61.04 C ATOM 1093 CG ASP A 67 5.205 -10.281 -13.579 1.00 54.03 C ATOM 1094 OD1 ASP A 67 4.234 -10.529 -12.833 1.00 53.34 O ATOM 1095 OD2 ASP A 67 6.096 -9.455 -13.292 1.00 54.32 O ATOM 0 HA ASP A 67 7.092 -12.214 -14.949 1.00 70.41 H new ATOM 0 HB2 ASP A 67 5.836 -10.399 -15.620 1.00 61.04 H new ATOM 0 HB3 ASP A 67 4.306 -11.190 -15.295 1.00 61.04 H new ATOM 1100 N TRP A 68 6.950 -12.920 -12.589 1.00 25.13 N ATOM 1101 CA TRP A 68 6.922 -13.414 -11.217 1.00 10.14 C ATOM 1102 C TRP A 68 7.178 -12.284 -10.226 1.00 0.41 C ATOM 1103 O TRP A 68 7.292 -11.120 -10.612 1.00 15.54 O ATOM 1104 CB TRP A 68 7.963 -14.519 -11.029 1.00 13.13 C ATOM 1105 CG TRP A 68 7.410 -15.751 -10.379 1.00 21.13 C ATOM 1106 CD1 TRP A 68 7.702 -16.220 -9.130 1.00 13.25 C ATOM 1107 CD2 TRP A 68 6.472 -16.672 -10.946 1.00 62.11 C ATOM 1108 NE1 TRP A 68 7.001 -17.377 -8.886 1.00 45.22 N ATOM 1109 CE2 TRP A 68 6.239 -17.675 -9.985 1.00 3.14 C ATOM 1110 CE3 TRP A 68 5.805 -16.746 -12.172 1.00 31.34 C ATOM 1111 CZ2 TRP A 68 5.369 -18.737 -10.213 1.00 60.44 C ATOM 1112 CZ3 TRP A 68 4.942 -17.801 -12.397 1.00 73.53 C ATOM 1113 CH2 TRP A 68 4.729 -18.785 -11.422 1.00 62.11 C ATOM 0 H TRP A 68 7.865 -12.597 -12.902 1.00 25.13 H new ATOM 0 HA TRP A 68 5.930 -13.823 -11.025 1.00 10.14 H new ATOM 0 HB2 TRP A 68 8.380 -14.785 -12.000 1.00 13.13 H new ATOM 0 HB3 TRP A 68 8.785 -14.135 -10.424 1.00 13.13 H new ATOM 0 HD1 TRP A 68 8.384 -15.751 -8.436 1.00 13.25 H new ATOM 0 HE1 TRP A 68 7.042 -17.925 -8.026 1.00 45.22 H new ATOM 0 HE3 TRP A 68 5.961 -15.992 -12.930 1.00 31.34 H new ATOM 0 HZ2 TRP A 68 5.205 -19.496 -9.463 1.00 60.44 H new ATOM 0 HZ3 TRP A 68 4.422 -17.869 -13.341 1.00 73.53 H new ATOM 0 HH2 TRP A 68 4.047 -19.597 -11.629 1.00 62.11 H new ATOM 1124 N THR A 69 7.268 -12.633 -8.946 1.00 45.23 N ATOM 1125 CA THR A 69 7.510 -11.647 -7.900 1.00 63.23 C ATOM 1126 C THR A 69 8.748 -12.004 -7.085 1.00 12.45 C ATOM 1127 O THR A 69 9.038 -13.179 -6.861 1.00 60.24 O ATOM 1128 CB THR A 69 6.302 -11.526 -6.953 1.00 1.14 C ATOM 1129 OG1 THR A 69 5.520 -12.725 -7.000 1.00 3.35 O ATOM 1130 CG2 THR A 69 5.435 -10.334 -7.331 1.00 24.15 C ATOM 0 H THR A 69 7.177 -13.591 -8.609 1.00 45.23 H new ATOM 0 HA THR A 69 7.669 -10.690 -8.397 1.00 63.23 H new ATOM 0 HB THR A 69 6.676 -11.376 -5.940 1.00 1.14 H new ATOM 0 HG1 THR A 69 4.755 -12.640 -6.394 1.00 3.35 H new ATOM 0 HG21 THR A 69 4.588 -10.269 -6.648 1.00 24.15 H new ATOM 0 HG22 THR A 69 6.025 -9.420 -7.266 1.00 24.15 H new ATOM 0 HG23 THR A 69 5.070 -10.458 -8.351 1.00 24.15 H new ATOM 1138 N ILE A 70 9.473 -10.982 -6.641 1.00 71.15 N ATOM 1139 CA ILE A 70 10.678 -11.189 -5.849 1.00 4.24 C ATOM 1140 C ILE A 70 10.685 -10.293 -4.615 1.00 1.33 C ATOM 1141 O ILE A 70 10.410 -9.096 -4.702 1.00 1.13 O ATOM 1142 CB ILE A 70 11.949 -10.916 -6.675 1.00 2.55 C ATOM 1143 CG1 ILE A 70 13.196 -11.086 -5.804 1.00 51.20 C ATOM 1144 CG2 ILE A 70 11.901 -9.518 -7.273 1.00 44.32 C ATOM 1145 CD1 ILE A 70 13.221 -12.387 -5.033 1.00 2.34 C ATOM 0 H ILE A 70 9.246 -10.003 -6.817 1.00 71.15 H new ATOM 0 HA ILE A 70 10.675 -12.233 -5.537 1.00 4.24 H new ATOM 0 HB ILE A 70 11.997 -11.638 -7.490 1.00 2.55 H new ATOM 0 HG12 ILE A 70 14.082 -11.031 -6.437 1.00 51.20 H new ATOM 0 HG13 ILE A 70 13.254 -10.255 -5.101 1.00 51.20 H new ATOM 0 HG21 ILE A 70 12.806 -9.339 -7.854 1.00 44.32 H new ATOM 0 HG22 ILE A 70 11.030 -9.430 -7.922 1.00 44.32 H new ATOM 0 HG23 ILE A 70 11.833 -8.782 -6.472 1.00 44.32 H new ATOM 0 HD11 ILE A 70 14.133 -12.440 -4.438 1.00 2.34 H new ATOM 0 HD12 ILE A 70 12.354 -12.436 -4.374 1.00 2.34 H new ATOM 0 HD13 ILE A 70 13.194 -13.224 -5.731 1.00 2.34 H new ATOM 1157 N VAL A 71 11.003 -10.880 -3.465 1.00 51.03 N ATOM 1158 CA VAL A 71 11.049 -10.135 -2.213 1.00 52.30 C ATOM 1159 C VAL A 71 12.457 -9.623 -1.929 1.00 54.03 C ATOM 1160 O VAL A 71 13.426 -10.380 -1.979 1.00 70.34 O ATOM 1161 CB VAL A 71 10.580 -10.999 -1.028 1.00 21.33 C ATOM 1162 CG1 VAL A 71 9.068 -11.164 -1.051 1.00 41.34 C ATOM 1163 CG2 VAL A 71 11.272 -12.354 -1.050 1.00 43.23 C ATOM 0 H VAL A 71 11.233 -11.870 -3.375 1.00 51.03 H new ATOM 0 HA VAL A 71 10.373 -9.287 -2.325 1.00 52.30 H new ATOM 0 HB VAL A 71 10.852 -10.492 -0.102 1.00 21.33 H new ATOM 0 HG11 VAL A 71 8.756 -11.778 -0.206 1.00 41.34 H new ATOM 0 HG12 VAL A 71 8.594 -10.185 -0.983 1.00 41.34 H new ATOM 0 HG13 VAL A 71 8.769 -11.648 -1.981 1.00 41.34 H new ATOM 0 HG21 VAL A 71 10.929 -12.952 -0.206 1.00 43.23 H new ATOM 0 HG22 VAL A 71 11.033 -12.869 -1.980 1.00 43.23 H new ATOM 0 HG23 VAL A 71 12.351 -12.213 -0.980 1.00 43.23 H new ATOM 1173 N VAL A 72 12.562 -8.332 -1.631 1.00 22.05 N ATOM 1174 CA VAL A 72 13.852 -7.718 -1.337 1.00 33.32 C ATOM 1175 C VAL A 72 13.864 -7.106 0.059 1.00 15.13 C ATOM 1176 O VAL A 72 12.995 -6.304 0.404 1.00 44.12 O ATOM 1177 CB VAL A 72 14.202 -6.628 -2.367 1.00 11.23 C ATOM 1178 CG1 VAL A 72 15.676 -6.262 -2.277 1.00 74.22 C ATOM 1179 CG2 VAL A 72 13.842 -7.087 -3.772 1.00 24.44 C ATOM 0 H VAL A 72 11.770 -7.691 -1.587 1.00 22.05 H new ATOM 0 HA VAL A 72 14.599 -8.510 -1.389 1.00 33.32 H new ATOM 0 HB VAL A 72 13.617 -5.737 -2.140 1.00 11.23 H new ATOM 0 HG11 VAL A 72 15.905 -5.490 -3.012 1.00 74.22 H new ATOM 0 HG12 VAL A 72 15.898 -5.888 -1.277 1.00 74.22 H new ATOM 0 HG13 VAL A 72 16.283 -7.145 -2.477 1.00 74.22 H new ATOM 0 HG21 VAL A 72 14.096 -6.304 -4.487 1.00 24.44 H new ATOM 0 HG22 VAL A 72 14.398 -7.993 -4.013 1.00 24.44 H new ATOM 0 HG23 VAL A 72 12.773 -7.293 -3.825 1.00 24.44 H new ATOM 1189 N ARG A 73 14.853 -7.489 0.859 1.00 23.11 N ATOM 1190 CA ARG A 73 14.978 -6.978 2.219 1.00 62.31 C ATOM 1191 C ARG A 73 16.038 -5.883 2.293 1.00 53.41 C ATOM 1192 O ARG A 73 17.190 -6.092 1.914 1.00 43.52 O ATOM 1193 CB ARG A 73 15.334 -8.112 3.182 1.00 60.41 C ATOM 1194 CG ARG A 73 16.500 -8.967 2.712 1.00 0.13 C ATOM 1195 CD ARG A 73 17.593 -9.045 3.766 1.00 23.13 C ATOM 1196 NE ARG A 73 17.097 -9.583 5.030 1.00 5.14 N ATOM 1197 CZ ARG A 73 16.903 -10.878 5.252 1.00 23.13 C ATOM 1198 NH1 ARG A 73 17.162 -11.763 4.300 1.00 63.41 N ATOM 1199 NH2 ARG A 73 16.450 -11.290 6.429 1.00 34.12 N ATOM 0 H ARG A 73 15.580 -8.152 0.589 1.00 23.11 H new ATOM 0 HA ARG A 73 14.018 -6.551 2.509 1.00 62.31 H new ATOM 0 HB2 ARG A 73 15.575 -7.687 4.156 1.00 60.41 H new ATOM 0 HB3 ARG A 73 14.460 -8.749 3.319 1.00 60.41 H new ATOM 0 HG2 ARG A 73 16.146 -9.971 2.479 1.00 0.13 H new ATOM 0 HG3 ARG A 73 16.910 -8.551 1.791 1.00 0.13 H new ATOM 0 HD2 ARG A 73 18.406 -9.672 3.399 1.00 23.13 H new ATOM 0 HD3 ARG A 73 18.007 -8.051 3.933 1.00 23.13 H new ATOM 0 HE ARG A 73 16.888 -8.928 5.784 1.00 5.14 H new ATOM 0 HH11 ARG A 73 17.511 -11.450 3.394 1.00 63.41 H new ATOM 0 HH12 ARG A 73 17.012 -12.757 4.473 1.00 63.41 H new ATOM 0 HH21 ARG A 73 16.250 -10.612 7.164 1.00 34.12 H new ATOM 0 HH22 ARG A 73 16.301 -12.285 6.598 1.00 34.12 H new ATOM 1213 N LYS A 74 15.639 -4.714 2.783 1.00 2.31 N ATOM 1214 CA LYS A 74 16.553 -3.584 2.908 1.00 20.41 C ATOM 1215 C LYS A 74 17.339 -3.662 4.213 1.00 33.12 C ATOM 1216 O LYS A 74 16.849 -4.184 5.215 1.00 54.20 O ATOM 1217 CB LYS A 74 15.779 -2.266 2.844 1.00 13.13 C ATOM 1218 CG LYS A 74 15.151 -1.994 1.488 1.00 34.43 C ATOM 1219 CD LYS A 74 13.718 -1.508 1.625 1.00 54.30 C ATOM 1220 CE LYS A 74 12.833 -2.063 0.519 1.00 13.25 C ATOM 1221 NZ LYS A 74 12.839 -3.552 0.499 1.00 13.23 N ATOM 0 H LYS A 74 14.688 -4.524 3.100 1.00 2.31 H new ATOM 0 HA LYS A 74 17.257 -3.625 2.077 1.00 20.41 H new ATOM 0 HB2 LYS A 74 14.996 -2.277 3.602 1.00 13.13 H new ATOM 0 HB3 LYS A 74 16.453 -1.446 3.094 1.00 13.13 H new ATOM 0 HG2 LYS A 74 15.740 -1.247 0.956 1.00 34.43 H new ATOM 0 HG3 LYS A 74 15.172 -2.903 0.887 1.00 34.43 H new ATOM 0 HD2 LYS A 74 13.322 -1.809 2.595 1.00 54.30 H new ATOM 0 HD3 LYS A 74 13.698 -0.419 1.596 1.00 54.30 H new ATOM 0 HE2 LYS A 74 11.812 -1.706 0.657 1.00 13.25 H new ATOM 0 HE3 LYS A 74 13.176 -1.685 -0.444 1.00 13.25 H new ATOM 0 HZ1 LYS A 74 13.390 -3.886 -0.318 1.00 13.23 H new ATOM 0 HZ2 LYS A 74 13.269 -3.909 1.376 1.00 13.23 H new ATOM 0 HZ3 LYS A 74 11.863 -3.902 0.425 1.00 13.23 H new ATOM 1235 N LYS A 75 18.560 -3.139 4.195 1.00 11.24 N ATOM 1236 CA LYS A 75 19.413 -3.146 5.378 1.00 42.04 C ATOM 1237 C LYS A 75 20.665 -2.304 5.150 1.00 14.15 C ATOM 1238 O LYS A 75 20.788 -1.619 4.135 1.00 34.43 O ATOM 1239 CB LYS A 75 19.809 -4.580 5.738 1.00 52.23 C ATOM 1240 CG LYS A 75 19.398 -4.990 7.142 1.00 45.35 C ATOM 1241 CD LYS A 75 20.601 -5.391 7.979 1.00 30.21 C ATOM 1242 CE LYS A 75 20.229 -5.557 9.445 1.00 61.45 C ATOM 1243 NZ LYS A 75 21.381 -5.272 10.345 1.00 74.52 N ATOM 0 H LYS A 75 18.982 -2.705 3.374 1.00 11.24 H new ATOM 0 HA LYS A 75 18.850 -2.713 6.204 1.00 42.04 H new ATOM 0 HB2 LYS A 75 19.355 -5.264 5.021 1.00 52.23 H new ATOM 0 HB3 LYS A 75 20.889 -4.685 5.639 1.00 52.23 H new ATOM 0 HG2 LYS A 75 18.876 -4.164 7.625 1.00 45.35 H new ATOM 0 HG3 LYS A 75 18.697 -5.823 7.089 1.00 45.35 H new ATOM 0 HD2 LYS A 75 21.015 -6.325 7.599 1.00 30.21 H new ATOM 0 HD3 LYS A 75 21.380 -4.635 7.884 1.00 30.21 H new ATOM 0 HE2 LYS A 75 19.404 -4.888 9.688 1.00 61.45 H new ATOM 0 HE3 LYS A 75 19.876 -6.574 9.617 1.00 61.45 H new ATOM 0 HZ1 LYS A 75 21.087 -5.396 11.335 1.00 74.52 H new ATOM 0 HZ2 LYS A 75 22.160 -5.927 10.130 1.00 74.52 H new ATOM 0 HZ3 LYS A 75 21.702 -4.293 10.199 1.00 74.52 H new