USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=7 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 Set 1.1: A 51 GLN : amide:sc= -1.45 X(o=-1.5,f=-1.5) USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -170:sc= -2.89 (180deg=-3.05) USER MOD Single : A 26 GLN : amide:sc= -0.288 K(o=-0.29,f=-2.3!) USER MOD Single : A 28 ASN : amide:sc= 0.106 X(o=0.11,f=0) USER MOD Single : A 34 MET CE :methyl 146:sc= -0.37 (180deg=-1.54!) USER MOD Single : A 42 ASN : amide:sc= -0.0536 K(o=-0.054,f=-0.78) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 83:sc= 0.59 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-3.2) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 74 LYS NZ :NH3+ -176:sc= -0.351 (180deg=-0.386) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 3.908 -1.251 -0.983 1.00 62.13 N ATOM 19 CA LYS A 2 5.288 -1.634 -0.709 1.00 42.42 C ATOM 20 C LYS A 2 5.810 -2.590 -1.777 1.00 31.24 C ATOM 21 O LYS A 2 6.638 -3.457 -1.496 1.00 1.45 O ATOM 22 CB LYS A 2 5.394 -2.286 0.671 1.00 33.01 C ATOM 23 CG LYS A 2 4.309 -3.314 0.942 1.00 23.33 C ATOM 24 CD LYS A 2 4.387 -3.845 2.364 1.00 13.31 C ATOM 25 CE LYS A 2 4.040 -5.324 2.427 1.00 70.32 C ATOM 26 NZ LYS A 2 2.712 -5.556 3.059 1.00 74.45 N ATOM 0 HA LYS A 2 5.899 -0.731 -0.725 1.00 42.42 H new ATOM 0 HB2 LYS A 2 6.369 -2.765 0.763 1.00 33.01 H new ATOM 0 HB3 LYS A 2 5.347 -1.510 1.435 1.00 33.01 H new ATOM 0 HG2 LYS A 2 3.330 -2.865 0.774 1.00 23.33 H new ATOM 0 HG3 LYS A 2 4.406 -4.141 0.238 1.00 23.33 H new ATOM 0 HD2 LYS A 2 5.392 -3.689 2.757 1.00 13.31 H new ATOM 0 HD3 LYS A 2 3.705 -3.283 3.001 1.00 13.31 H new ATOM 0 HE2 LYS A 2 4.040 -5.740 1.420 1.00 70.32 H new ATOM 0 HE3 LYS A 2 4.808 -5.853 2.991 1.00 70.32 H new ATOM 0 HZ1 LYS A 2 2.512 -6.576 3.083 1.00 74.45 H new ATOM 0 HZ2 LYS A 2 2.719 -5.182 4.029 1.00 74.45 H new ATOM 0 HZ3 LYS A 2 1.975 -5.072 2.507 1.00 74.45 H new ATOM 40 N ARG A 3 5.321 -2.426 -3.002 1.00 21.45 N ATOM 41 CA ARG A 3 5.739 -3.275 -4.111 1.00 34.54 C ATOM 42 C ARG A 3 5.864 -2.466 -5.398 1.00 12.10 C ATOM 43 O ARG A 3 5.296 -1.380 -5.519 1.00 31.14 O ATOM 44 CB ARG A 3 4.741 -4.418 -4.309 1.00 64.43 C ATOM 45 CG ARG A 3 3.368 -3.956 -4.768 1.00 43.33 C ATOM 46 CD ARG A 3 2.357 -4.002 -3.634 1.00 33.42 C ATOM 47 NE ARG A 3 1.021 -4.356 -4.106 1.00 32.22 N ATOM 48 CZ ARG A 3 0.663 -5.591 -4.441 1.00 13.22 C ATOM 49 NH1 ARG A 3 1.537 -6.584 -4.356 1.00 33.24 N ATOM 50 NH2 ARG A 3 -0.572 -5.834 -4.862 1.00 10.34 N ATOM 0 H ARG A 3 4.635 -1.713 -3.251 1.00 21.45 H new ATOM 0 HA ARG A 3 6.716 -3.692 -3.869 1.00 34.54 H new ATOM 0 HB2 ARG A 3 5.143 -5.117 -5.042 1.00 64.43 H new ATOM 0 HB3 ARG A 3 4.636 -4.964 -3.371 1.00 64.43 H new ATOM 0 HG2 ARG A 3 3.436 -2.939 -5.155 1.00 43.33 H new ATOM 0 HG3 ARG A 3 3.026 -4.587 -5.588 1.00 43.33 H new ATOM 0 HD2 ARG A 3 2.682 -4.727 -2.888 1.00 33.42 H new ATOM 0 HD3 ARG A 3 2.322 -3.031 -3.140 1.00 33.42 H new ATOM 0 HE ARG A 3 0.325 -3.615 -4.183 1.00 32.22 H new ATOM 0 HH11 ARG A 3 2.487 -6.401 -4.033 1.00 33.24 H new ATOM 0 HH12 ARG A 3 1.260 -7.531 -4.614 1.00 33.24 H new ATOM 0 HH21 ARG A 3 -1.247 -5.072 -4.929 1.00 10.34 H new ATOM 0 HH22 ARG A 3 -0.846 -6.782 -5.119 1.00 10.34 H new ATOM 64 N PHE A 4 6.612 -3.001 -6.357 1.00 75.32 N ATOM 65 CA PHE A 4 6.813 -2.328 -7.635 1.00 72.31 C ATOM 66 C PHE A 4 6.490 -3.262 -8.798 1.00 51.32 C ATOM 67 O PHE A 4 7.034 -4.362 -8.895 1.00 43.41 O ATOM 68 CB PHE A 4 8.255 -1.830 -7.752 1.00 12.14 C ATOM 69 CG PHE A 4 8.360 -0.386 -8.151 1.00 15.33 C ATOM 70 CD1 PHE A 4 7.686 0.594 -7.439 1.00 72.12 C ATOM 71 CD2 PHE A 4 9.132 -0.008 -9.237 1.00 0.30 C ATOM 72 CE1 PHE A 4 7.780 1.923 -7.805 1.00 11.40 C ATOM 73 CE2 PHE A 4 9.230 1.320 -9.607 1.00 43.42 C ATOM 74 CZ PHE A 4 8.554 2.287 -8.889 1.00 40.25 C ATOM 0 H PHE A 4 7.089 -3.899 -6.274 1.00 75.32 H new ATOM 0 HA PHE A 4 6.136 -1.475 -7.678 1.00 72.31 H new ATOM 0 HB2 PHE A 4 8.759 -1.972 -6.796 1.00 12.14 H new ATOM 0 HB3 PHE A 4 8.783 -2.440 -8.484 1.00 12.14 H new ATOM 0 HD1 PHE A 4 7.081 0.316 -6.589 1.00 72.12 H new ATOM 0 HD2 PHE A 4 9.664 -0.760 -9.801 1.00 0.30 H new ATOM 0 HE1 PHE A 4 7.248 2.677 -7.243 1.00 11.40 H new ATOM 0 HE2 PHE A 4 9.835 1.601 -10.457 1.00 43.42 H new ATOM 0 HZ PHE A 4 8.631 3.326 -9.175 1.00 40.25 H new ATOM 84 N ASP A 5 5.601 -2.815 -9.678 1.00 15.20 N ATOM 85 CA ASP A 5 5.204 -3.609 -10.835 1.00 44.43 C ATOM 86 C ASP A 5 5.989 -3.191 -12.075 1.00 62.11 C ATOM 87 O ASP A 5 5.651 -2.207 -12.735 1.00 24.14 O ATOM 88 CB ASP A 5 3.704 -3.461 -11.093 1.00 11.24 C ATOM 89 CG ASP A 5 2.949 -4.758 -10.878 1.00 1.15 C ATOM 90 OD1 ASP A 5 3.302 -5.764 -11.528 1.00 13.23 O ATOM 91 OD2 ASP A 5 2.005 -4.767 -10.060 1.00 1.24 O ATOM 0 H ASP A 5 5.141 -1.907 -9.612 1.00 15.20 H new ATOM 0 HA ASP A 5 5.426 -4.654 -10.620 1.00 44.43 H new ATOM 0 HB2 ASP A 5 3.299 -2.694 -10.433 1.00 11.24 H new ATOM 0 HB3 ASP A 5 3.546 -3.117 -12.115 1.00 11.24 H new ATOM 96 N LEU A 6 7.038 -3.944 -12.386 1.00 63.31 N ATOM 97 CA LEU A 6 7.873 -3.652 -13.547 1.00 33.24 C ATOM 98 C LEU A 6 7.434 -4.475 -14.754 1.00 23.34 C ATOM 99 O LEU A 6 8.097 -4.475 -15.791 1.00 53.13 O ATOM 100 CB LEU A 6 9.342 -3.936 -13.228 1.00 34.14 C ATOM 101 CG LEU A 6 10.023 -2.954 -12.274 1.00 44.03 C ATOM 102 CD1 LEU A 6 9.814 -1.523 -12.743 1.00 41.52 C ATOM 103 CD2 LEU A 6 9.499 -3.135 -10.857 1.00 61.13 C ATOM 0 H LEU A 6 7.331 -4.761 -11.851 1.00 63.31 H new ATOM 0 HA LEU A 6 7.758 -2.596 -13.790 1.00 33.24 H new ATOM 0 HB2 LEU A 6 9.414 -4.936 -12.800 1.00 34.14 H new ATOM 0 HB3 LEU A 6 9.900 -3.949 -14.164 1.00 34.14 H new ATOM 0 HG LEU A 6 11.093 -3.162 -12.273 1.00 44.03 H new ATOM 0 HD11 LEU A 6 10.306 -0.838 -12.052 1.00 41.52 H new ATOM 0 HD12 LEU A 6 10.239 -1.401 -13.739 1.00 41.52 H new ATOM 0 HD13 LEU A 6 8.747 -1.303 -12.775 1.00 41.52 H new ATOM 0 HD21 LEU A 6 9.995 -2.428 -10.192 1.00 61.13 H new ATOM 0 HD22 LEU A 6 8.424 -2.955 -10.841 1.00 61.13 H new ATOM 0 HD23 LEU A 6 9.702 -4.152 -10.521 1.00 61.13 H new ATOM 115 N ARG A 7 6.313 -5.174 -14.611 1.00 21.42 N ATOM 116 CA ARG A 7 5.786 -6.001 -15.690 1.00 35.04 C ATOM 117 C ARG A 7 5.717 -5.213 -16.995 1.00 22.14 C ATOM 118 O ARG A 7 6.347 -5.563 -17.993 1.00 50.41 O ATOM 119 CB ARG A 7 4.396 -6.526 -15.325 1.00 73.43 C ATOM 120 CG ARG A 7 4.384 -7.993 -14.926 1.00 44.11 C ATOM 121 CD ARG A 7 3.352 -8.268 -13.844 1.00 3.44 C ATOM 122 NE ARG A 7 1.988 -8.066 -14.324 1.00 61.23 N ATOM 123 CZ ARG A 7 1.393 -8.864 -15.204 1.00 24.51 C ATOM 124 NH1 ARG A 7 2.040 -9.912 -15.696 1.00 33.52 N ATOM 125 NH2 ARG A 7 0.149 -8.615 -15.593 1.00 24.43 N ATOM 0 H ARG A 7 5.752 -5.184 -13.759 1.00 21.42 H new ATOM 0 HA ARG A 7 6.461 -6.845 -15.831 1.00 35.04 H new ATOM 0 HB2 ARG A 7 3.997 -5.932 -14.503 1.00 73.43 H new ATOM 0 HB3 ARG A 7 3.729 -6.384 -16.175 1.00 73.43 H new ATOM 0 HG2 ARG A 7 4.168 -8.607 -15.800 1.00 44.11 H new ATOM 0 HG3 ARG A 7 5.373 -8.282 -14.569 1.00 44.11 H new ATOM 0 HD2 ARG A 7 3.463 -9.293 -13.489 1.00 3.44 H new ATOM 0 HD3 ARG A 7 3.537 -7.614 -12.992 1.00 3.44 H new ATOM 0 HE ARG A 7 1.463 -7.269 -13.964 1.00 61.23 H new ATOM 0 HH11 ARG A 7 2.996 -10.107 -15.399 1.00 33.52 H new ATOM 0 HH12 ARG A 7 1.581 -10.523 -16.371 1.00 33.52 H new ATOM 0 HH21 ARG A 7 -0.352 -7.810 -15.216 1.00 24.43 H new ATOM 0 HH22 ARG A 7 -0.307 -9.228 -16.269 1.00 24.43 H new ATOM 139 N PRO A 8 4.934 -4.124 -16.988 1.00 62.13 N ATOM 140 CA PRO A 8 4.765 -3.264 -18.163 1.00 72.13 C ATOM 141 C PRO A 8 6.028 -2.474 -18.491 1.00 34.54 C ATOM 142 O PRO A 8 6.138 -1.877 -19.562 1.00 64.33 O ATOM 143 CB PRO A 8 3.635 -2.318 -17.750 1.00 55.04 C ATOM 144 CG PRO A 8 3.695 -2.282 -16.262 1.00 43.13 C ATOM 145 CD PRO A 8 4.154 -3.648 -15.833 1.00 64.14 C ATOM 0 HA PRO A 8 4.550 -3.841 -19.062 1.00 72.13 H new ATOM 0 HB2 PRO A 8 3.775 -1.324 -18.176 1.00 55.04 H new ATOM 0 HB3 PRO A 8 2.668 -2.681 -18.098 1.00 55.04 H new ATOM 0 HG2 PRO A 8 4.386 -1.512 -15.918 1.00 43.13 H new ATOM 0 HG3 PRO A 8 2.719 -2.047 -15.838 1.00 43.13 H new ATOM 0 HD2 PRO A 8 4.762 -3.602 -14.929 1.00 64.14 H new ATOM 0 HD3 PRO A 8 3.312 -4.306 -15.618 1.00 64.14 H new ATOM 153 N LEU A 9 6.978 -2.476 -17.562 1.00 54.42 N ATOM 154 CA LEU A 9 8.234 -1.759 -17.752 1.00 62.35 C ATOM 155 C LEU A 9 9.194 -2.565 -18.621 1.00 64.42 C ATOM 156 O LEU A 9 9.217 -3.795 -18.565 1.00 33.21 O ATOM 157 CB LEU A 9 8.882 -1.458 -16.400 1.00 23.30 C ATOM 158 CG LEU A 9 8.826 -0.002 -15.938 1.00 12.21 C ATOM 159 CD1 LEU A 9 7.850 0.154 -14.781 1.00 65.24 C ATOM 160 CD2 LEU A 9 10.211 0.485 -15.539 1.00 1.22 C ATOM 0 H LEU A 9 6.902 -2.966 -16.670 1.00 54.42 H new ATOM 0 HA LEU A 9 8.015 -0.820 -18.259 1.00 62.35 H new ATOM 0 HB2 LEU A 9 8.400 -2.077 -15.643 1.00 23.30 H new ATOM 0 HB3 LEU A 9 9.927 -1.764 -16.444 1.00 23.30 H new ATOM 0 HG LEU A 9 8.474 0.609 -16.769 1.00 12.21 H new ATOM 0 HD11 LEU A 9 7.823 1.197 -14.465 1.00 65.24 H new ATOM 0 HD12 LEU A 9 6.854 -0.154 -15.101 1.00 65.24 H new ATOM 0 HD13 LEU A 9 8.172 -0.469 -13.947 1.00 65.24 H new ATOM 0 HD21 LEU A 9 10.152 1.523 -15.213 1.00 1.22 H new ATOM 0 HD22 LEU A 9 10.592 -0.130 -14.724 1.00 1.22 H new ATOM 0 HD23 LEU A 9 10.883 0.411 -16.394 1.00 1.22 H new ATOM 172 N LYS A 10 9.989 -1.865 -19.423 1.00 53.43 N ATOM 173 CA LYS A 10 10.954 -2.513 -20.302 1.00 65.51 C ATOM 174 C LYS A 10 12.266 -2.776 -19.569 1.00 43.02 C ATOM 175 O LYS A 10 12.541 -2.172 -18.533 1.00 14.02 O ATOM 176 CB LYS A 10 11.213 -1.648 -21.538 1.00 34.14 C ATOM 177 CG LYS A 10 12.017 -0.393 -21.244 1.00 73.43 C ATOM 178 CD LYS A 10 12.192 0.460 -22.489 1.00 11.30 C ATOM 179 CE LYS A 10 10.950 1.291 -22.775 1.00 31.52 C ATOM 180 NZ LYS A 10 10.376 0.987 -24.115 1.00 45.43 N ATOM 0 H LYS A 10 9.984 -0.847 -19.482 1.00 53.43 H new ATOM 0 HA LYS A 10 10.535 -3.469 -20.617 1.00 65.51 H new ATOM 0 HB2 LYS A 10 11.742 -2.242 -22.283 1.00 34.14 H new ATOM 0 HB3 LYS A 10 10.258 -1.363 -21.978 1.00 34.14 H new ATOM 0 HG2 LYS A 10 11.516 0.189 -20.471 1.00 73.43 H new ATOM 0 HG3 LYS A 10 12.995 -0.670 -20.851 1.00 73.43 H new ATOM 0 HD2 LYS A 10 13.051 1.119 -22.362 1.00 11.30 H new ATOM 0 HD3 LYS A 10 12.406 -0.182 -23.344 1.00 11.30 H new ATOM 0 HE2 LYS A 10 10.200 1.100 -22.007 1.00 31.52 H new ATOM 0 HE3 LYS A 10 11.201 2.350 -22.719 1.00 31.52 H new ATOM 0 HZ1 LYS A 10 9.532 1.573 -24.272 1.00 45.43 H new ATOM 0 HZ2 LYS A 10 11.082 1.193 -24.850 1.00 45.43 H new ATOM 0 HZ3 LYS A 10 10.113 -0.018 -24.160 1.00 45.43 H new ATOM 194 N ALA A 11 13.073 -3.679 -20.115 1.00 64.55 N ATOM 195 CA ALA A 11 14.358 -4.019 -19.515 1.00 53.33 C ATOM 196 C ALA A 11 15.342 -2.860 -19.632 1.00 53.45 C ATOM 197 O ALA A 11 15.370 -2.156 -20.641 1.00 52.02 O ATOM 198 CB ALA A 11 14.931 -5.268 -20.167 1.00 22.32 C ATOM 0 H ALA A 11 12.860 -4.189 -20.972 1.00 64.55 H new ATOM 0 HA ALA A 11 14.195 -4.218 -18.456 1.00 53.33 H new ATOM 0 HB1 ALA A 11 15.890 -5.510 -19.709 1.00 22.32 H new ATOM 0 HB2 ALA A 11 14.242 -6.101 -20.027 1.00 22.32 H new ATOM 0 HB3 ALA A 11 15.072 -5.090 -21.233 1.00 22.32 H new ATOM 204 N GLY A 12 16.148 -2.666 -18.593 1.00 31.11 N ATOM 205 CA GLY A 12 17.122 -1.590 -18.600 1.00 33.24 C ATOM 206 C GLY A 12 16.742 -0.459 -17.665 1.00 50.43 C ATOM 207 O GLY A 12 17.595 0.092 -16.968 1.00 34.21 O ATOM 0 H GLY A 12 16.144 -3.235 -17.746 1.00 31.11 H new ATOM 0 HA2 GLY A 12 18.096 -1.984 -18.312 1.00 33.24 H new ATOM 0 HA3 GLY A 12 17.223 -1.201 -19.613 1.00 33.24 H new ATOM 211 N ILE A 13 15.460 -0.109 -17.652 1.00 61.40 N ATOM 212 CA ILE A 13 14.970 0.964 -16.797 1.00 2.52 C ATOM 213 C ILE A 13 14.302 0.408 -15.544 1.00 2.20 C ATOM 214 O ILE A 13 14.332 1.031 -14.483 1.00 10.44 O ATOM 215 CB ILE A 13 13.968 1.865 -17.542 1.00 51.25 C ATOM 216 CG1 ILE A 13 14.521 2.254 -18.915 1.00 5.42 C ATOM 217 CG2 ILE A 13 13.657 3.106 -16.719 1.00 50.33 C ATOM 218 CD1 ILE A 13 13.577 3.113 -19.726 1.00 11.41 C ATOM 0 H ILE A 13 14.742 -0.553 -18.224 1.00 61.40 H new ATOM 0 HA ILE A 13 15.837 1.559 -16.510 1.00 2.52 H new ATOM 0 HB ILE A 13 13.042 1.309 -17.688 1.00 51.25 H new ATOM 0 HG12 ILE A 13 15.461 2.789 -18.781 1.00 5.42 H new ATOM 0 HG13 ILE A 13 14.747 1.348 -19.476 1.00 5.42 H new ATOM 0 HG21 ILE A 13 12.947 3.733 -17.259 1.00 50.33 H new ATOM 0 HG22 ILE A 13 13.225 2.810 -15.763 1.00 50.33 H new ATOM 0 HG23 ILE A 13 14.576 3.666 -16.544 1.00 50.33 H new ATOM 0 HD11 ILE A 13 14.035 3.350 -20.686 1.00 11.41 H new ATOM 0 HD12 ILE A 13 12.645 2.573 -19.892 1.00 11.41 H new ATOM 0 HD13 ILE A 13 13.370 4.036 -19.185 1.00 11.41 H new ATOM 230 N PHE A 14 13.701 -0.770 -15.674 1.00 41.21 N ATOM 231 CA PHE A 14 13.026 -1.412 -14.552 1.00 50.31 C ATOM 232 C PHE A 14 13.987 -1.618 -13.385 1.00 61.41 C ATOM 233 O PHE A 14 13.570 -1.685 -12.229 1.00 63.34 O ATOM 234 CB PHE A 14 12.436 -2.755 -14.985 1.00 73.15 C ATOM 235 CG PHE A 14 13.444 -3.867 -15.028 1.00 64.25 C ATOM 236 CD1 PHE A 14 14.570 -3.768 -15.830 1.00 24.43 C ATOM 237 CD2 PHE A 14 13.266 -5.012 -14.268 1.00 1.31 C ATOM 238 CE1 PHE A 14 15.501 -4.790 -15.871 1.00 52.23 C ATOM 239 CE2 PHE A 14 14.193 -6.036 -14.305 1.00 42.01 C ATOM 240 CZ PHE A 14 15.311 -5.925 -15.109 1.00 23.53 C ATOM 0 H PHE A 14 13.668 -1.300 -16.545 1.00 41.21 H new ATOM 0 HA PHE A 14 12.219 -0.758 -14.223 1.00 50.31 H new ATOM 0 HB2 PHE A 14 11.634 -3.029 -14.299 1.00 73.15 H new ATOM 0 HB3 PHE A 14 11.987 -2.644 -15.972 1.00 73.15 H new ATOM 0 HD1 PHE A 14 14.722 -2.883 -16.430 1.00 24.43 H new ATOM 0 HD2 PHE A 14 12.393 -5.105 -13.640 1.00 1.31 H new ATOM 0 HE1 PHE A 14 16.375 -4.700 -16.498 1.00 52.23 H new ATOM 0 HE2 PHE A 14 14.044 -6.922 -13.706 1.00 42.01 H new ATOM 0 HZ PHE A 14 16.035 -6.725 -15.141 1.00 23.53 H new ATOM 250 N GLU A 15 15.275 -1.719 -13.698 1.00 23.51 N ATOM 251 CA GLU A 15 16.295 -1.920 -12.676 1.00 24.15 C ATOM 252 C GLU A 15 16.716 -0.590 -12.058 1.00 12.41 C ATOM 253 O GLU A 15 17.157 -0.538 -10.910 1.00 24.11 O ATOM 254 CB GLU A 15 17.515 -2.626 -13.272 1.00 51.00 C ATOM 255 CG GLU A 15 18.715 -2.660 -12.340 1.00 52.44 C ATOM 256 CD GLU A 15 19.791 -1.669 -12.740 1.00 23.04 C ATOM 257 OE1 GLU A 15 19.438 -0.567 -13.209 1.00 12.10 O ATOM 258 OE2 GLU A 15 20.986 -1.995 -12.583 1.00 63.52 O ATOM 0 H GLU A 15 15.636 -1.665 -14.650 1.00 23.51 H new ATOM 0 HA GLU A 15 15.868 -2.546 -11.893 1.00 24.15 H new ATOM 0 HB2 GLU A 15 17.241 -3.648 -13.535 1.00 51.00 H new ATOM 0 HB3 GLU A 15 17.798 -2.124 -14.197 1.00 51.00 H new ATOM 0 HG2 GLU A 15 18.387 -2.444 -11.323 1.00 52.44 H new ATOM 0 HG3 GLU A 15 19.136 -3.665 -12.332 1.00 52.44 H new ATOM 265 N ARG A 16 16.576 0.484 -12.828 1.00 54.23 N ATOM 266 CA ARG A 16 16.942 1.815 -12.358 1.00 62.24 C ATOM 267 C ARG A 16 15.808 2.438 -11.550 1.00 33.50 C ATOM 268 O ARG A 16 16.045 3.178 -10.594 1.00 65.54 O ATOM 269 CB ARG A 16 17.295 2.718 -13.542 1.00 74.30 C ATOM 270 CG ARG A 16 18.785 2.785 -13.834 1.00 53.11 C ATOM 271 CD ARG A 16 19.055 2.904 -15.326 1.00 22.22 C ATOM 272 NE ARG A 16 19.627 4.201 -15.677 1.00 11.02 N ATOM 273 CZ ARG A 16 19.829 4.601 -16.927 1.00 71.03 C ATOM 274 NH1 ARG A 16 19.507 3.809 -17.940 1.00 72.35 N ATOM 275 NH2 ARG A 16 20.354 5.796 -17.166 1.00 53.04 N ATOM 0 H ARG A 16 16.212 0.459 -13.780 1.00 54.23 H new ATOM 0 HA ARG A 16 17.814 1.717 -11.711 1.00 62.24 H new ATOM 0 HB2 ARG A 16 16.775 2.358 -14.430 1.00 74.30 H new ATOM 0 HB3 ARG A 16 16.927 3.724 -13.343 1.00 74.30 H new ATOM 0 HG2 ARG A 16 19.221 3.639 -13.315 1.00 53.11 H new ATOM 0 HG3 ARG A 16 19.274 1.892 -13.445 1.00 53.11 H new ATOM 0 HD2 ARG A 16 19.737 2.112 -15.635 1.00 22.22 H new ATOM 0 HD3 ARG A 16 18.125 2.757 -15.875 1.00 22.22 H new ATOM 0 HE ARG A 16 19.886 4.834 -14.920 1.00 11.02 H new ATOM 0 HH11 ARG A 16 19.103 2.890 -17.760 1.00 72.35 H new ATOM 0 HH12 ARG A 16 19.663 4.119 -18.899 1.00 72.35 H new ATOM 0 HH21 ARG A 16 20.603 6.408 -16.389 1.00 53.04 H new ATOM 0 HH22 ARG A 16 20.509 6.102 -18.127 1.00 53.04 H new ATOM 289 N LEU A 17 14.575 2.134 -11.940 1.00 34.45 N ATOM 290 CA LEU A 17 13.402 2.664 -11.252 1.00 25.44 C ATOM 291 C LEU A 17 13.207 1.980 -9.902 1.00 64.32 C ATOM 292 O LEU A 17 12.621 2.553 -8.985 1.00 30.32 O ATOM 293 CB LEU A 17 12.153 2.479 -12.115 1.00 2.20 C ATOM 294 CG LEU A 17 11.397 3.756 -12.483 1.00 45.35 C ATOM 295 CD1 LEU A 17 10.869 4.443 -11.234 1.00 0.32 C ATOM 296 CD2 LEU A 17 12.295 4.698 -13.273 1.00 11.10 C ATOM 0 H LEU A 17 14.361 1.524 -12.729 1.00 34.45 H new ATOM 0 HA LEU A 17 13.563 3.728 -11.080 1.00 25.44 H new ATOM 0 HB2 LEU A 17 12.444 1.974 -13.036 1.00 2.20 H new ATOM 0 HB3 LEU A 17 11.468 1.814 -11.590 1.00 2.20 H new ATOM 0 HG LEU A 17 10.547 3.485 -13.110 1.00 45.35 H new ATOM 0 HD11 LEU A 17 10.334 5.350 -11.516 1.00 0.32 H new ATOM 0 HD12 LEU A 17 10.191 3.771 -10.708 1.00 0.32 H new ATOM 0 HD13 LEU A 17 11.703 4.702 -10.581 1.00 0.32 H new ATOM 0 HD21 LEU A 17 11.741 5.602 -13.527 1.00 11.10 H new ATOM 0 HD22 LEU A 17 13.164 4.962 -12.671 1.00 11.10 H new ATOM 0 HD23 LEU A 17 12.624 4.205 -14.188 1.00 11.10 H new ATOM 308 N GLU A 18 13.705 0.752 -9.789 1.00 42.22 N ATOM 309 CA GLU A 18 13.586 -0.009 -8.551 1.00 4.41 C ATOM 310 C GLU A 18 14.225 0.743 -7.387 1.00 5.41 C ATOM 311 O GLU A 18 13.830 0.574 -6.234 1.00 51.41 O ATOM 312 CB GLU A 18 14.241 -1.383 -8.706 1.00 2.24 C ATOM 313 CG GLU A 18 13.346 -2.535 -8.282 1.00 54.12 C ATOM 314 CD GLU A 18 13.082 -3.514 -9.410 1.00 53.40 C ATOM 315 OE1 GLU A 18 12.419 -3.120 -10.393 1.00 35.43 O ATOM 316 OE2 GLU A 18 13.537 -4.672 -9.310 1.00 44.32 O ATOM 0 H GLU A 18 14.194 0.264 -10.539 1.00 42.22 H new ATOM 0 HA GLU A 18 12.526 -0.142 -8.337 1.00 4.41 H new ATOM 0 HB2 GLU A 18 14.530 -1.523 -9.748 1.00 2.24 H new ATOM 0 HB3 GLU A 18 15.156 -1.409 -8.115 1.00 2.24 H new ATOM 0 HG2 GLU A 18 13.810 -3.063 -7.449 1.00 54.12 H new ATOM 0 HG3 GLU A 18 12.397 -2.139 -7.920 1.00 54.12 H new ATOM 323 N GLU A 19 15.216 1.573 -7.699 1.00 2.23 N ATOM 324 CA GLU A 19 15.911 2.350 -6.679 1.00 31.34 C ATOM 325 C GLU A 19 15.098 3.579 -6.283 1.00 41.22 C ATOM 326 O GLU A 19 15.132 4.016 -5.132 1.00 1.10 O ATOM 327 CB GLU A 19 17.291 2.778 -7.183 1.00 74.44 C ATOM 328 CG GLU A 19 18.018 3.720 -6.240 1.00 4.32 C ATOM 329 CD GLU A 19 18.122 5.130 -6.789 1.00 10.04 C ATOM 330 OE1 GLU A 19 18.538 5.282 -7.957 1.00 13.35 O ATOM 331 OE2 GLU A 19 17.788 6.081 -6.051 1.00 71.50 O ATOM 0 H GLU A 19 15.555 1.724 -8.649 1.00 2.23 H new ATOM 0 HA GLU A 19 16.034 1.718 -5.799 1.00 31.34 H new ATOM 0 HB2 GLU A 19 17.903 1.890 -7.339 1.00 74.44 H new ATOM 0 HB3 GLU A 19 17.180 3.263 -8.153 1.00 74.44 H new ATOM 0 HG2 GLU A 19 17.496 3.744 -5.283 1.00 4.32 H new ATOM 0 HG3 GLU A 19 19.019 3.334 -6.048 1.00 4.32 H new ATOM 338 N LEU A 20 14.369 4.133 -7.245 1.00 55.02 N ATOM 339 CA LEU A 20 13.547 5.313 -6.999 1.00 74.11 C ATOM 340 C LEU A 20 12.542 5.053 -5.882 1.00 35.15 C ATOM 341 O LEU A 20 12.211 5.953 -5.109 1.00 52.12 O ATOM 342 CB LEU A 20 12.811 5.722 -8.277 1.00 5.14 C ATOM 343 CG LEU A 20 13.223 7.062 -8.888 1.00 20.11 C ATOM 344 CD1 LEU A 20 14.231 6.851 -10.007 1.00 74.13 C ATOM 345 CD2 LEU A 20 12.002 7.812 -9.401 1.00 62.50 C ATOM 0 H LEU A 20 14.330 3.784 -8.203 1.00 55.02 H new ATOM 0 HA LEU A 20 14.205 6.125 -6.690 1.00 74.11 H new ATOM 0 HB2 LEU A 20 12.961 4.943 -9.024 1.00 5.14 H new ATOM 0 HB3 LEU A 20 11.743 5.756 -8.062 1.00 5.14 H new ATOM 0 HG LEU A 20 13.694 7.664 -8.111 1.00 20.11 H new ATOM 0 HD11 LEU A 20 14.512 7.815 -10.430 1.00 74.13 H new ATOM 0 HD12 LEU A 20 15.117 6.356 -9.610 1.00 74.13 H new ATOM 0 HD13 LEU A 20 13.787 6.230 -10.785 1.00 74.13 H new ATOM 0 HD21 LEU A 20 12.314 8.763 -9.832 1.00 62.50 H new ATOM 0 HD22 LEU A 20 11.502 7.215 -10.163 1.00 62.50 H new ATOM 0 HD23 LEU A 20 11.315 7.996 -8.575 1.00 62.50 H new ATOM 357 N ILE A 21 12.061 3.817 -5.801 1.00 23.34 N ATOM 358 CA ILE A 21 11.097 3.438 -4.775 1.00 71.13 C ATOM 359 C ILE A 21 11.800 2.992 -3.498 1.00 34.24 C ATOM 360 O ILE A 21 11.282 3.177 -2.397 1.00 22.23 O ATOM 361 CB ILE A 21 10.173 2.306 -5.262 1.00 64.40 C ATOM 362 CG1 ILE A 21 9.143 1.960 -4.185 1.00 60.10 C ATOM 363 CG2 ILE A 21 10.991 1.078 -5.634 1.00 23.12 C ATOM 364 CD1 ILE A 21 8.288 3.136 -3.767 1.00 23.22 C ATOM 0 H ILE A 21 12.323 3.061 -6.434 1.00 23.34 H new ATOM 0 HA ILE A 21 10.495 4.322 -4.565 1.00 71.13 H new ATOM 0 HB ILE A 21 9.641 2.647 -6.150 1.00 64.40 H new ATOM 0 HG12 ILE A 21 8.496 1.164 -4.554 1.00 60.10 H new ATOM 0 HG13 ILE A 21 9.662 1.569 -3.310 1.00 60.10 H new ATOM 0 HG21 ILE A 21 10.324 0.287 -5.976 1.00 23.12 H new ATOM 0 HG22 ILE A 21 11.689 1.334 -6.431 1.00 23.12 H new ATOM 0 HG23 ILE A 21 11.546 0.733 -4.762 1.00 23.12 H new ATOM 0 HD11 ILE A 21 7.581 2.818 -3.001 1.00 23.22 H new ATOM 0 HD12 ILE A 21 8.925 3.925 -3.367 1.00 23.22 H new ATOM 0 HD13 ILE A 21 7.741 3.514 -4.631 1.00 23.22 H new ATOM 376 N GLU A 22 12.982 2.405 -3.653 1.00 43.10 N ATOM 377 CA GLU A 22 13.756 1.934 -2.511 1.00 24.33 C ATOM 378 C GLU A 22 14.002 3.065 -1.516 1.00 32.52 C ATOM 379 O GLU A 22 14.175 2.828 -0.320 1.00 45.40 O ATOM 380 CB GLU A 22 15.092 1.351 -2.977 1.00 43.20 C ATOM 381 CG GLU A 22 15.083 -0.162 -3.110 1.00 71.41 C ATOM 382 CD GLU A 22 14.589 -0.855 -1.855 1.00 72.31 C ATOM 383 OE1 GLU A 22 14.625 -0.227 -0.777 1.00 31.35 O ATOM 384 OE2 GLU A 22 14.166 -2.026 -1.952 1.00 75.43 O ATOM 0 H GLU A 22 13.424 2.244 -4.558 1.00 43.10 H new ATOM 0 HA GLU A 22 13.181 1.153 -2.013 1.00 24.33 H new ATOM 0 HB2 GLU A 22 15.354 1.790 -3.939 1.00 43.20 H new ATOM 0 HB3 GLU A 22 15.871 1.641 -2.272 1.00 43.20 H new ATOM 0 HG2 GLU A 22 14.449 -0.445 -3.950 1.00 71.41 H new ATOM 0 HG3 GLU A 22 16.091 -0.509 -3.339 1.00 71.41 H new ATOM 391 N LYS A 23 14.015 4.294 -2.019 1.00 3.33 N ATOM 392 CA LYS A 23 14.239 5.463 -1.176 1.00 55.44 C ATOM 393 C LYS A 23 13.079 5.664 -0.206 1.00 52.42 C ATOM 394 O LYS A 23 13.284 6.014 0.955 1.00 12.35 O ATOM 395 CB LYS A 23 14.417 6.714 -2.041 1.00 31.33 C ATOM 396 CG LYS A 23 15.840 7.243 -2.058 1.00 65.24 C ATOM 397 CD LYS A 23 16.212 7.798 -3.423 1.00 62.32 C ATOM 398 CE LYS A 23 17.675 8.210 -3.478 1.00 2.55 C ATOM 399 NZ LYS A 23 17.965 9.072 -4.657 1.00 11.52 N ATOM 0 H LYS A 23 13.873 4.507 -3.006 1.00 3.33 H new ATOM 0 HA LYS A 23 15.148 5.295 -0.598 1.00 55.44 H new ATOM 0 HB2 LYS A 23 14.111 6.486 -3.062 1.00 31.33 H new ATOM 0 HB3 LYS A 23 13.752 7.496 -1.675 1.00 31.33 H new ATOM 0 HG2 LYS A 23 15.948 8.024 -1.305 1.00 65.24 H new ATOM 0 HG3 LYS A 23 16.530 6.443 -1.789 1.00 65.24 H new ATOM 0 HD2 LYS A 23 16.016 7.047 -4.188 1.00 62.32 H new ATOM 0 HD3 LYS A 23 15.582 8.658 -3.651 1.00 62.32 H new ATOM 0 HE2 LYS A 23 17.936 8.744 -2.565 1.00 2.55 H new ATOM 0 HE3 LYS A 23 18.302 7.319 -3.517 1.00 2.55 H new ATOM 0 HZ1 LYS A 23 18.972 9.331 -4.658 1.00 11.52 H new ATOM 0 HZ2 LYS A 23 17.740 8.553 -5.530 1.00 11.52 H new ATOM 0 HZ3 LYS A 23 17.386 9.934 -4.607 1.00 11.52 H new ATOM 413 N GLU A 24 11.862 5.439 -0.691 1.00 54.41 N ATOM 414 CA GLU A 24 10.670 5.596 0.135 1.00 61.31 C ATOM 415 C GLU A 24 10.509 4.414 1.087 1.00 4.21 C ATOM 416 O GLU A 24 10.003 4.564 2.199 1.00 44.02 O ATOM 417 CB GLU A 24 9.426 5.728 -0.746 1.00 12.03 C ATOM 418 CG GLU A 24 8.592 6.961 -0.440 1.00 31.12 C ATOM 419 CD GLU A 24 7.287 6.625 0.256 1.00 25.25 C ATOM 420 OE1 GLU A 24 6.500 5.836 -0.308 1.00 43.51 O ATOM 421 OE2 GLU A 24 7.054 7.150 1.365 1.00 74.20 O ATOM 0 H GLU A 24 11.675 5.148 -1.651 1.00 54.41 H new ATOM 0 HA GLU A 24 10.786 6.504 0.726 1.00 61.31 H new ATOM 0 HB2 GLU A 24 9.733 5.757 -1.791 1.00 12.03 H new ATOM 0 HB3 GLU A 24 8.806 4.840 -0.621 1.00 12.03 H new ATOM 0 HG2 GLU A 24 9.170 7.639 0.188 1.00 31.12 H new ATOM 0 HG3 GLU A 24 8.378 7.490 -1.369 1.00 31.12 H new ATOM 428 N MET A 25 10.943 3.240 0.642 1.00 65.42 N ATOM 429 CA MET A 25 10.849 2.032 1.454 1.00 15.32 C ATOM 430 C MET A 25 11.689 2.162 2.721 1.00 72.33 C ATOM 431 O MET A 25 12.754 2.777 2.708 1.00 4.12 O ATOM 432 CB MET A 25 11.303 0.813 0.649 1.00 13.22 C ATOM 433 CG MET A 25 10.439 0.534 -0.570 1.00 61.01 C ATOM 434 SD MET A 25 8.739 0.118 -0.137 1.00 21.03 S ATOM 435 CE MET A 25 9.001 -1.269 0.966 1.00 14.35 C ATOM 0 H MET A 25 11.363 3.099 -0.277 1.00 65.42 H new ATOM 0 HA MET A 25 9.806 1.899 1.743 1.00 15.32 H new ATOM 0 HB2 MET A 25 12.333 0.964 0.327 1.00 13.22 H new ATOM 0 HB3 MET A 25 11.296 -0.063 1.297 1.00 13.22 H new ATOM 0 HG2 MET A 25 10.440 1.409 -1.219 1.00 61.01 H new ATOM 0 HG3 MET A 25 10.876 -0.286 -1.140 1.00 61.01 H new ATOM 0 HE1 MET A 25 8.046 -1.750 1.179 1.00 14.35 H new ATOM 0 HE2 MET A 25 9.672 -1.987 0.495 1.00 14.35 H new ATOM 0 HE3 MET A 25 9.445 -0.915 1.897 1.00 14.35 H new ATOM 445 N GLN A 26 11.201 1.578 3.811 1.00 5.51 N ATOM 446 CA GLN A 26 11.908 1.630 5.085 1.00 3.53 C ATOM 447 C GLN A 26 13.247 0.905 4.995 1.00 12.14 C ATOM 448 O GLN A 26 13.486 0.102 4.093 1.00 10.03 O ATOM 449 CB GLN A 26 11.053 1.012 6.193 1.00 41.14 C ATOM 450 CG GLN A 26 10.456 2.036 7.144 1.00 54.43 C ATOM 451 CD GLN A 26 10.448 1.561 8.583 1.00 4.54 C ATOM 452 OE1 GLN A 26 11.306 0.780 8.996 1.00 43.41 O ATOM 453 NE2 GLN A 26 9.477 2.032 9.357 1.00 22.13 N ATOM 0 H GLN A 26 10.320 1.064 3.837 1.00 5.51 H new ATOM 0 HA GLN A 26 12.098 2.676 5.324 1.00 3.53 H new ATOM 0 HB2 GLN A 26 10.246 0.436 5.739 1.00 41.14 H new ATOM 0 HB3 GLN A 26 11.663 0.311 6.763 1.00 41.14 H new ATOM 0 HG2 GLN A 26 11.023 2.964 7.075 1.00 54.43 H new ATOM 0 HG3 GLN A 26 9.436 2.262 6.834 1.00 54.43 H new ATOM 0 HE21 GLN A 26 8.787 2.677 8.973 1.00 22.13 H new ATOM 0 HE22 GLN A 26 9.422 1.748 10.335 1.00 22.13 H new ATOM 462 N PRO A 27 14.142 1.193 5.952 1.00 40.22 N ATOM 463 CA PRO A 27 15.472 0.579 6.002 1.00 30.42 C ATOM 464 C PRO A 27 15.413 -0.901 6.366 1.00 64.01 C ATOM 465 O PRO A 27 16.431 -1.592 6.359 1.00 61.22 O ATOM 466 CB PRO A 27 16.187 1.371 7.099 1.00 4.02 C ATOM 467 CG PRO A 27 15.093 1.886 7.969 1.00 4.32 C ATOM 468 CD PRO A 27 13.925 2.141 7.058 1.00 74.41 C ATOM 0 HA PRO A 27 15.974 0.615 5.035 1.00 30.42 H new ATOM 0 HB2 PRO A 27 16.874 0.738 7.660 1.00 4.02 H new ATOM 0 HB3 PRO A 27 16.776 2.186 6.679 1.00 4.02 H new ATOM 0 HG2 PRO A 27 14.835 1.161 8.741 1.00 4.32 H new ATOM 0 HG3 PRO A 27 15.397 2.800 8.479 1.00 4.32 H new ATOM 0 HD2 PRO A 27 12.975 1.960 7.562 1.00 74.41 H new ATOM 0 HD3 PRO A 27 13.908 3.172 6.706 1.00 74.41 H new ATOM 476 N ASN A 28 14.215 -1.381 6.683 1.00 2.21 N ATOM 477 CA ASN A 28 14.024 -2.779 7.050 1.00 64.42 C ATOM 478 C ASN A 28 12.643 -3.269 6.627 1.00 73.00 C ATOM 479 O ASN A 28 12.007 -4.049 7.335 1.00 32.01 O ATOM 480 CB ASN A 28 14.203 -2.962 8.558 1.00 12.45 C ATOM 481 CG ASN A 28 15.017 -4.194 8.900 1.00 64.44 C ATOM 482 OD1 ASN A 28 16.147 -4.093 9.377 1.00 5.43 O ATOM 483 ND2 ASN A 28 14.445 -5.368 8.655 1.00 44.41 N ATOM 0 H ASN A 28 13.362 -0.822 6.693 1.00 2.21 H new ATOM 0 HA ASN A 28 14.776 -3.371 6.528 1.00 64.42 H new ATOM 0 HB2 ASN A 28 14.692 -2.081 8.972 1.00 12.45 H new ATOM 0 HB3 ASN A 28 13.224 -3.035 9.031 1.00 12.45 H new ATOM 0 HD21 ASN A 28 14.945 -6.232 8.863 1.00 44.41 H new ATOM 0 HD22 ASN A 28 13.506 -5.405 8.259 1.00 44.41 H new ATOM 490 N GLU A 29 12.186 -2.806 5.468 1.00 54.51 N ATOM 491 CA GLU A 29 10.879 -3.197 4.951 1.00 3.53 C ATOM 492 C GLU A 29 11.025 -4.131 3.754 1.00 62.30 C ATOM 493 O GLU A 29 12.113 -4.279 3.196 1.00 53.40 O ATOM 494 CB GLU A 29 10.073 -1.959 4.551 1.00 62.11 C ATOM 495 CG GLU A 29 8.867 -1.705 5.439 1.00 11.11 C ATOM 496 CD GLU A 29 7.673 -2.560 5.061 1.00 25.51 C ATOM 497 OE1 GLU A 29 7.660 -3.754 5.428 1.00 21.21 O ATOM 498 OE2 GLU A 29 6.754 -2.037 4.399 1.00 75.14 O ATOM 0 H GLU A 29 12.701 -2.160 4.869 1.00 54.51 H new ATOM 0 HA GLU A 29 10.348 -3.728 5.741 1.00 3.53 H new ATOM 0 HB2 GLU A 29 10.725 -1.086 4.580 1.00 62.11 H new ATOM 0 HB3 GLU A 29 9.737 -2.072 3.520 1.00 62.11 H new ATOM 0 HG2 GLU A 29 9.137 -1.903 6.477 1.00 11.11 H new ATOM 0 HG3 GLU A 29 8.590 -0.653 5.377 1.00 11.11 H new ATOM 505 N VAL A 30 9.921 -4.762 3.365 1.00 45.42 N ATOM 506 CA VAL A 30 9.925 -5.682 2.234 1.00 41.11 C ATOM 507 C VAL A 30 9.460 -4.987 0.959 1.00 60.52 C ATOM 508 O VAL A 30 8.564 -4.145 0.990 1.00 0.44 O ATOM 509 CB VAL A 30 9.023 -6.901 2.500 1.00 75.33 C ATOM 510 CG1 VAL A 30 8.145 -7.190 1.291 1.00 0.13 C ATOM 511 CG2 VAL A 30 9.863 -8.117 2.861 1.00 12.23 C ATOM 0 H VAL A 30 9.013 -4.653 3.817 1.00 45.42 H new ATOM 0 HA VAL A 30 10.953 -6.021 2.105 1.00 41.11 H new ATOM 0 HB VAL A 30 8.373 -6.672 3.345 1.00 75.33 H new ATOM 0 HG11 VAL A 30 7.514 -8.055 1.498 1.00 0.13 H new ATOM 0 HG12 VAL A 30 7.517 -6.324 1.082 1.00 0.13 H new ATOM 0 HG13 VAL A 30 8.774 -7.398 0.426 1.00 0.13 H new ATOM 0 HG21 VAL A 30 9.209 -8.969 3.046 1.00 12.23 H new ATOM 0 HG22 VAL A 30 10.539 -8.350 2.038 1.00 12.23 H new ATOM 0 HG23 VAL A 30 10.444 -7.904 3.758 1.00 12.23 H new ATOM 521 N ALA A 31 10.075 -5.348 -0.163 1.00 21.02 N ATOM 522 CA ALA A 31 9.722 -4.762 -1.450 1.00 5.42 C ATOM 523 C ALA A 31 9.565 -5.838 -2.519 1.00 12.33 C ATOM 524 O ALA A 31 10.532 -6.504 -2.889 1.00 32.21 O ATOM 525 CB ALA A 31 10.773 -3.745 -1.872 1.00 60.22 C ATOM 0 H ALA A 31 10.820 -6.043 -0.206 1.00 21.02 H new ATOM 0 HA ALA A 31 8.764 -4.254 -1.340 1.00 5.42 H new ATOM 0 HB1 ALA A 31 10.497 -3.315 -2.835 1.00 60.22 H new ATOM 0 HB2 ALA A 31 10.834 -2.953 -1.125 1.00 60.22 H new ATOM 0 HB3 ALA A 31 11.742 -4.237 -1.959 1.00 60.22 H new ATOM 531 N ILE A 32 8.341 -6.002 -3.010 1.00 23.32 N ATOM 532 CA ILE A 32 8.058 -6.998 -4.036 1.00 43.45 C ATOM 533 C ILE A 32 8.109 -6.380 -5.430 1.00 14.13 C ATOM 534 O ILE A 32 7.220 -5.620 -5.816 1.00 60.32 O ATOM 535 CB ILE A 32 6.678 -7.648 -3.825 1.00 4.10 C ATOM 536 CG1 ILE A 32 6.756 -8.715 -2.731 1.00 75.23 C ATOM 537 CG2 ILE A 32 6.172 -8.251 -5.127 1.00 21.24 C ATOM 538 CD1 ILE A 32 5.546 -8.738 -1.823 1.00 22.10 C ATOM 0 H ILE A 32 7.530 -5.458 -2.714 1.00 23.32 H new ATOM 0 HA ILE A 32 8.828 -7.765 -3.952 1.00 43.45 H new ATOM 0 HB ILE A 32 5.974 -6.879 -3.507 1.00 4.10 H new ATOM 0 HG12 ILE A 32 6.870 -9.694 -3.197 1.00 75.23 H new ATOM 0 HG13 ILE A 32 7.649 -8.543 -2.129 1.00 75.23 H new ATOM 0 HG21 ILE A 32 5.196 -8.707 -4.962 1.00 21.24 H new ATOM 0 HG22 ILE A 32 6.084 -7.468 -5.881 1.00 21.24 H new ATOM 0 HG23 ILE A 32 6.873 -9.011 -5.473 1.00 21.24 H new ATOM 0 HD11 ILE A 32 5.670 -9.518 -1.072 1.00 22.10 H new ATOM 0 HD12 ILE A 32 5.443 -7.772 -1.329 1.00 22.10 H new ATOM 0 HD13 ILE A 32 4.652 -8.941 -2.413 1.00 22.10 H new ATOM 550 N PHE A 33 9.153 -6.712 -6.181 1.00 22.20 N ATOM 551 CA PHE A 33 9.319 -6.191 -7.533 1.00 5.13 C ATOM 552 C PHE A 33 8.940 -7.242 -8.572 1.00 22.25 C ATOM 553 O PHE A 33 9.659 -8.222 -8.770 1.00 14.54 O ATOM 554 CB PHE A 33 10.764 -5.738 -7.753 1.00 42.42 C ATOM 555 CG PHE A 33 11.285 -4.844 -6.664 1.00 52.21 C ATOM 556 CD1 PHE A 33 10.471 -3.878 -6.094 1.00 32.53 C ATOM 557 CD2 PHE A 33 12.588 -4.969 -6.211 1.00 30.35 C ATOM 558 CE1 PHE A 33 10.948 -3.054 -5.092 1.00 72.30 C ATOM 559 CE2 PHE A 33 13.070 -4.148 -5.209 1.00 24.13 C ATOM 560 CZ PHE A 33 12.249 -3.190 -4.648 1.00 73.11 C ATOM 0 H PHE A 33 9.897 -7.340 -5.877 1.00 22.20 H new ATOM 0 HA PHE A 33 8.655 -5.335 -7.650 1.00 5.13 H new ATOM 0 HB2 PHE A 33 11.404 -6.617 -7.828 1.00 42.42 H new ATOM 0 HB3 PHE A 33 10.831 -5.213 -8.706 1.00 42.42 H new ATOM 0 HD1 PHE A 33 9.453 -3.768 -6.437 1.00 32.53 H new ATOM 0 HD2 PHE A 33 13.235 -5.717 -6.646 1.00 30.35 H new ATOM 0 HE1 PHE A 33 10.304 -2.304 -4.657 1.00 72.30 H new ATOM 0 HE2 PHE A 33 14.088 -4.256 -4.865 1.00 24.13 H new ATOM 0 HZ PHE A 33 12.623 -2.548 -3.864 1.00 73.11 H new ATOM 570 N MET A 34 7.806 -7.031 -9.231 1.00 60.23 N ATOM 571 CA MET A 34 7.331 -7.960 -10.250 1.00 41.14 C ATOM 572 C MET A 34 8.062 -7.739 -11.571 1.00 1.32 C ATOM 573 O MET A 34 8.086 -6.627 -12.100 1.00 23.13 O ATOM 574 CB MET A 34 5.824 -7.798 -10.455 1.00 74.43 C ATOM 575 CG MET A 34 5.074 -9.119 -10.523 1.00 25.33 C ATOM 576 SD MET A 34 4.406 -9.621 -8.925 1.00 50.00 S ATOM 577 CE MET A 34 3.335 -8.234 -8.556 1.00 13.14 C ATOM 0 H MET A 34 7.199 -6.226 -9.078 1.00 60.23 H new ATOM 0 HA MET A 34 7.537 -8.974 -9.906 1.00 41.14 H new ATOM 0 HB2 MET A 34 5.417 -7.200 -9.640 1.00 74.43 H new ATOM 0 HB3 MET A 34 5.649 -7.242 -11.376 1.00 74.43 H new ATOM 0 HG2 MET A 34 4.260 -9.033 -11.242 1.00 25.33 H new ATOM 0 HG3 MET A 34 5.745 -9.895 -10.892 1.00 25.33 H new ATOM 0 HE1 MET A 34 2.459 -8.586 -8.011 1.00 13.14 H new ATOM 0 HE2 MET A 34 3.875 -7.510 -7.946 1.00 13.14 H new ATOM 0 HE3 MET A 34 3.019 -7.761 -9.486 1.00 13.14 H new ATOM 587 N PHE A 35 8.657 -8.803 -12.098 1.00 63.41 N ATOM 588 CA PHE A 35 9.390 -8.725 -13.356 1.00 43.33 C ATOM 589 C PHE A 35 8.864 -9.749 -14.357 1.00 70.03 C ATOM 590 O PHE A 35 8.759 -10.936 -14.049 1.00 42.40 O ATOM 591 CB PHE A 35 10.884 -8.951 -13.116 1.00 23.03 C ATOM 592 CG PHE A 35 11.208 -10.328 -12.611 1.00 23.01 C ATOM 593 CD1 PHE A 35 10.987 -10.664 -11.285 1.00 60.12 C ATOM 594 CD2 PHE A 35 11.735 -11.286 -13.462 1.00 72.12 C ATOM 595 CE1 PHE A 35 11.284 -11.931 -10.817 1.00 52.54 C ATOM 596 CE2 PHE A 35 12.033 -12.554 -13.000 1.00 61.13 C ATOM 597 CZ PHE A 35 11.808 -12.876 -11.676 1.00 65.41 C ATOM 0 H PHE A 35 8.646 -9.730 -11.673 1.00 63.41 H new ATOM 0 HA PHE A 35 9.243 -7.728 -13.771 1.00 43.33 H new ATOM 0 HB2 PHE A 35 11.424 -8.778 -14.047 1.00 23.03 H new ATOM 0 HB3 PHE A 35 11.244 -8.215 -12.397 1.00 23.03 H new ATOM 0 HD1 PHE A 35 10.578 -9.928 -10.609 1.00 60.12 H new ATOM 0 HD2 PHE A 35 11.915 -11.039 -14.498 1.00 72.12 H new ATOM 0 HE1 PHE A 35 11.106 -12.181 -9.781 1.00 52.54 H new ATOM 0 HE2 PHE A 35 12.442 -13.293 -13.674 1.00 61.13 H new ATOM 0 HZ PHE A 35 12.042 -13.866 -11.313 1.00 65.41 H new ATOM 607 N GLU A 36 8.534 -9.280 -15.557 1.00 30.13 N ATOM 608 CA GLU A 36 8.017 -10.155 -16.603 1.00 21.15 C ATOM 609 C GLU A 36 8.968 -10.198 -17.795 1.00 40.12 C ATOM 610 O GLU A 36 8.757 -10.952 -18.745 1.00 70.20 O ATOM 611 CB GLU A 36 6.634 -9.683 -17.056 1.00 30.13 C ATOM 612 CG GLU A 36 6.670 -8.434 -17.920 1.00 61.35 C ATOM 613 CD GLU A 36 6.828 -8.750 -19.395 1.00 72.12 C ATOM 614 OE1 GLU A 36 5.905 -9.362 -19.974 1.00 4.55 O ATOM 615 OE2 GLU A 36 7.874 -8.385 -19.971 1.00 24.22 O ATOM 0 H GLU A 36 8.615 -8.300 -15.828 1.00 30.13 H new ATOM 0 HA GLU A 36 7.933 -11.161 -16.191 1.00 21.15 H new ATOM 0 HB2 GLU A 36 6.150 -10.486 -17.612 1.00 30.13 H new ATOM 0 HB3 GLU A 36 6.020 -9.489 -16.177 1.00 30.13 H new ATOM 0 HG2 GLU A 36 5.752 -7.866 -17.770 1.00 61.35 H new ATOM 0 HG3 GLU A 36 7.494 -7.798 -17.598 1.00 61.35 H new ATOM 688 N ASN A 42 19.031 -9.089 -13.775 1.00 20.01 N ATOM 689 CA ASN A 42 19.155 -7.689 -13.386 1.00 55.21 C ATOM 690 C ASN A 42 18.422 -7.422 -12.075 1.00 3.25 C ATOM 691 O ASN A 42 18.740 -6.473 -11.357 1.00 30.13 O ATOM 692 CB ASN A 42 18.600 -6.782 -14.486 1.00 42.44 C ATOM 693 CG ASN A 42 19.696 -6.169 -15.337 1.00 11.51 C ATOM 694 OD1 ASN A 42 20.786 -6.727 -15.462 1.00 32.20 O ATOM 695 ND2 ASN A 42 19.411 -5.013 -15.926 1.00 73.23 N ATOM 0 HA ASN A 42 20.213 -7.470 -13.242 1.00 55.21 H new ATOM 0 HB2 ASN A 42 17.928 -7.357 -15.123 1.00 42.44 H new ATOM 0 HB3 ASN A 42 18.008 -5.987 -14.033 1.00 42.44 H new ATOM 0 HD21 ASN A 42 20.109 -4.552 -16.510 1.00 73.23 H new ATOM 0 HD22 ASN A 42 18.494 -4.586 -15.795 1.00 73.23 H new ATOM 702 N ILE A 43 17.442 -8.265 -11.768 1.00 40.14 N ATOM 703 CA ILE A 43 16.666 -8.121 -10.543 1.00 3.02 C ATOM 704 C ILE A 43 17.575 -7.881 -9.342 1.00 10.10 C ATOM 705 O ILE A 43 17.447 -6.890 -8.623 1.00 53.43 O ATOM 706 CB ILE A 43 15.799 -9.366 -10.276 1.00 5.33 C ATOM 707 CG1 ILE A 43 14.451 -9.237 -10.987 1.00 61.33 C ATOM 708 CG2 ILE A 43 15.599 -9.560 -8.780 1.00 71.52 C ATOM 709 CD1 ILE A 43 13.586 -8.120 -10.446 1.00 62.52 C ATOM 0 H ILE A 43 17.167 -9.055 -12.351 1.00 40.14 H new ATOM 0 HA ILE A 43 16.015 -7.258 -10.681 1.00 3.02 H new ATOM 0 HB ILE A 43 16.314 -10.242 -10.671 1.00 5.33 H new ATOM 0 HG12 ILE A 43 14.625 -9.069 -12.050 1.00 61.33 H new ATOM 0 HG13 ILE A 43 13.911 -10.180 -10.898 1.00 61.33 H new ATOM 0 HG21 ILE A 43 14.984 -10.443 -8.607 1.00 71.52 H new ATOM 0 HG22 ILE A 43 16.568 -9.691 -8.297 1.00 71.52 H new ATOM 0 HG23 ILE A 43 15.102 -8.684 -8.363 1.00 71.52 H new ATOM 0 HD11 ILE A 43 12.646 -8.088 -10.997 1.00 62.52 H new ATOM 0 HD12 ILE A 43 13.381 -8.297 -9.390 1.00 62.52 H new ATOM 0 HD13 ILE A 43 14.106 -7.169 -10.560 1.00 62.52 H new ATOM 721 N PRO A 44 18.518 -8.809 -9.119 1.00 13.54 N ATOM 722 CA PRO A 44 19.469 -8.719 -8.007 1.00 13.14 C ATOM 723 C PRO A 44 20.481 -7.595 -8.199 1.00 22.01 C ATOM 724 O PRO A 44 21.182 -7.210 -7.263 1.00 0.32 O ATOM 725 CB PRO A 44 20.170 -10.080 -8.029 1.00 15.42 C ATOM 726 CG PRO A 44 20.044 -10.547 -9.438 1.00 21.44 C ATOM 727 CD PRO A 44 18.728 -10.016 -9.935 1.00 3.02 C ATOM 0 HA PRO A 44 18.972 -8.495 -7.063 1.00 13.14 H new ATOM 0 HB2 PRO A 44 21.215 -9.992 -7.733 1.00 15.42 H new ATOM 0 HB3 PRO A 44 19.700 -10.779 -7.337 1.00 15.42 H new ATOM 0 HG2 PRO A 44 20.869 -10.177 -10.047 1.00 21.44 H new ATOM 0 HG3 PRO A 44 20.071 -11.635 -9.492 1.00 21.44 H new ATOM 0 HD2 PRO A 44 18.765 -9.781 -10.999 1.00 3.02 H new ATOM 0 HD3 PRO A 44 17.925 -10.740 -9.797 1.00 3.02 H new ATOM 735 N LYS A 45 20.553 -7.072 -9.418 1.00 40.11 N ATOM 736 CA LYS A 45 21.479 -5.990 -9.734 1.00 34.32 C ATOM 737 C LYS A 45 20.921 -4.646 -9.276 1.00 24.33 C ATOM 738 O LYS A 45 21.675 -3.714 -8.995 1.00 61.41 O ATOM 739 CB LYS A 45 21.757 -5.953 -11.238 1.00 43.21 C ATOM 740 CG LYS A 45 23.189 -5.580 -11.582 1.00 61.42 C ATOM 741 CD LYS A 45 23.245 -4.370 -12.499 1.00 4.44 C ATOM 742 CE LYS A 45 24.591 -4.264 -13.200 1.00 52.41 C ATOM 743 NZ LYS A 45 24.473 -4.503 -14.665 1.00 72.12 N ATOM 0 H LYS A 45 19.981 -7.380 -10.204 1.00 40.11 H new ATOM 0 HA LYS A 45 22.412 -6.176 -9.203 1.00 34.32 H new ATOM 0 HB2 LYS A 45 21.532 -6.930 -11.665 1.00 43.21 H new ATOM 0 HB3 LYS A 45 21.081 -5.238 -11.707 1.00 43.21 H new ATOM 0 HG2 LYS A 45 23.741 -5.369 -10.666 1.00 61.42 H new ATOM 0 HG3 LYS A 45 23.681 -6.425 -12.063 1.00 61.42 H new ATOM 0 HD2 LYS A 45 22.451 -4.438 -13.242 1.00 4.44 H new ATOM 0 HD3 LYS A 45 23.063 -3.465 -11.920 1.00 4.44 H new ATOM 0 HE2 LYS A 45 25.014 -3.275 -13.026 1.00 52.41 H new ATOM 0 HE3 LYS A 45 25.283 -4.987 -12.769 1.00 52.41 H new ATOM 0 HZ1 LYS A 45 25.411 -4.422 -15.107 1.00 72.12 H new ATOM 0 HZ2 LYS A 45 24.093 -5.457 -14.832 1.00 72.12 H new ATOM 0 HZ3 LYS A 45 23.832 -3.797 -15.081 1.00 72.12 H new ATOM 757 N SER A 46 19.598 -4.554 -9.201 1.00 35.10 N ATOM 758 CA SER A 46 18.940 -3.323 -8.779 1.00 33.01 C ATOM 759 C SER A 46 19.124 -3.094 -7.282 1.00 24.22 C ATOM 760 O SER A 46 19.616 -2.048 -6.859 1.00 21.43 O ATOM 761 CB SER A 46 17.449 -3.374 -9.118 1.00 72.33 C ATOM 762 OG SER A 46 17.181 -4.372 -10.088 1.00 74.02 O ATOM 0 H SER A 46 18.960 -5.317 -9.427 1.00 35.10 H new ATOM 0 HA SER A 46 19.400 -2.493 -9.316 1.00 33.01 H new ATOM 0 HB2 SER A 46 16.874 -3.577 -8.214 1.00 72.33 H new ATOM 0 HB3 SER A 46 17.124 -2.403 -9.491 1.00 72.33 H new ATOM 0 HG SER A 46 17.094 -5.242 -9.646 1.00 74.02 H new ATOM 768 N ALA A 47 18.726 -4.081 -6.485 1.00 42.33 N ATOM 769 CA ALA A 47 18.849 -3.989 -5.036 1.00 1.03 C ATOM 770 C ALA A 47 20.272 -3.621 -4.628 1.00 34.45 C ATOM 771 O ALA A 47 20.486 -2.993 -3.592 1.00 25.03 O ATOM 772 CB ALA A 47 18.434 -5.301 -4.387 1.00 21.12 C ATOM 0 H ALA A 47 18.316 -4.953 -6.819 1.00 42.33 H new ATOM 0 HA ALA A 47 18.184 -3.198 -4.689 1.00 1.03 H new ATOM 0 HB1 ALA A 47 18.531 -5.218 -3.304 1.00 21.12 H new ATOM 0 HB2 ALA A 47 17.398 -5.522 -4.643 1.00 21.12 H new ATOM 0 HB3 ALA A 47 19.076 -6.105 -4.748 1.00 21.12 H new ATOM 778 N GLU A 48 21.239 -4.018 -5.448 1.00 62.23 N ATOM 779 CA GLU A 48 22.641 -3.731 -5.170 1.00 45.12 C ATOM 780 C GLU A 48 22.946 -2.251 -5.381 1.00 52.50 C ATOM 781 O GLU A 48 23.757 -1.664 -4.664 1.00 54.30 O ATOM 782 CB GLU A 48 23.546 -4.581 -6.064 1.00 63.24 C ATOM 783 CG GLU A 48 25.014 -4.525 -5.675 1.00 11.52 C ATOM 784 CD GLU A 48 25.894 -4.000 -6.792 1.00 43.24 C ATOM 785 OE1 GLU A 48 26.168 -4.766 -7.740 1.00 41.53 O ATOM 786 OE2 GLU A 48 26.310 -2.824 -6.719 1.00 75.52 O ATOM 0 H GLU A 48 21.078 -4.539 -6.310 1.00 62.23 H new ATOM 0 HA GLU A 48 22.836 -3.980 -4.127 1.00 45.12 H new ATOM 0 HB2 GLU A 48 23.209 -5.617 -6.028 1.00 63.24 H new ATOM 0 HB3 GLU A 48 23.440 -4.247 -7.096 1.00 63.24 H new ATOM 0 HG2 GLU A 48 25.129 -3.889 -4.797 1.00 11.52 H new ATOM 0 HG3 GLU A 48 25.349 -5.523 -5.392 1.00 11.52 H new ATOM 793 N PHE A 49 22.290 -1.653 -6.370 1.00 40.23 N ATOM 794 CA PHE A 49 22.491 -0.241 -6.678 1.00 33.54 C ATOM 795 C PHE A 49 22.324 0.617 -5.427 1.00 22.52 C ATOM 796 O PHE A 49 22.960 1.662 -5.290 1.00 12.24 O ATOM 797 CB PHE A 49 21.505 0.213 -7.756 1.00 61.32 C ATOM 798 CG PHE A 49 22.165 0.878 -8.930 1.00 3.34 C ATOM 799 CD1 PHE A 49 22.504 2.221 -8.881 1.00 25.22 C ATOM 800 CD2 PHE A 49 22.447 0.161 -10.081 1.00 42.43 C ATOM 801 CE1 PHE A 49 23.111 2.836 -9.960 1.00 23.25 C ATOM 802 CE2 PHE A 49 23.054 0.771 -11.163 1.00 64.11 C ATOM 803 CZ PHE A 49 23.388 2.110 -11.102 1.00 32.34 C ATOM 0 H PHE A 49 21.615 -2.124 -6.972 1.00 40.23 H new ATOM 0 HA PHE A 49 23.508 -0.117 -7.050 1.00 33.54 H new ATOM 0 HB2 PHE A 49 20.941 -0.651 -8.108 1.00 61.32 H new ATOM 0 HB3 PHE A 49 20.788 0.904 -7.313 1.00 61.32 H new ATOM 0 HD1 PHE A 49 22.292 2.793 -7.990 1.00 25.22 H new ATOM 0 HD2 PHE A 49 22.190 -0.887 -10.134 1.00 42.43 H new ATOM 0 HE1 PHE A 49 23.369 3.884 -9.910 1.00 23.25 H new ATOM 0 HE2 PHE A 49 23.267 0.201 -12.055 1.00 64.11 H new ATOM 0 HZ PHE A 49 23.865 2.588 -11.945 1.00 32.34 H new ATOM 813 N ILE A 50 21.465 0.167 -4.518 1.00 63.22 N ATOM 814 CA ILE A 50 21.215 0.892 -3.279 1.00 4.30 C ATOM 815 C ILE A 50 22.447 0.886 -2.380 1.00 45.45 C ATOM 816 O ILE A 50 23.047 1.931 -2.127 1.00 31.22 O ATOM 817 CB ILE A 50 20.027 0.292 -2.505 1.00 73.02 C ATOM 818 CG1 ILE A 50 18.793 0.211 -3.406 1.00 35.32 C ATOM 819 CG2 ILE A 50 19.730 1.121 -1.264 1.00 71.42 C ATOM 820 CD1 ILE A 50 18.182 1.559 -3.717 1.00 52.12 C ATOM 0 H ILE A 50 20.931 -0.696 -4.617 1.00 63.22 H new ATOM 0 HA ILE A 50 20.976 1.918 -3.558 1.00 4.30 H new ATOM 0 HB ILE A 50 20.290 -0.717 -2.189 1.00 73.02 H new ATOM 0 HG12 ILE A 50 19.067 -0.279 -4.340 1.00 35.32 H new ATOM 0 HG13 ILE A 50 18.043 -0.417 -2.925 1.00 35.32 H new ATOM 0 HG21 ILE A 50 18.888 0.684 -0.728 1.00 71.42 H new ATOM 0 HG22 ILE A 50 20.606 1.133 -0.616 1.00 71.42 H new ATOM 0 HG23 ILE A 50 19.483 2.141 -1.558 1.00 71.42 H new ATOM 0 HD11 ILE A 50 17.312 1.425 -4.360 1.00 52.12 H new ATOM 0 HD12 ILE A 50 17.876 2.043 -2.789 1.00 52.12 H new ATOM 0 HD13 ILE A 50 18.917 2.183 -4.226 1.00 52.12 H new ATOM 832 N GLN A 51 22.820 -0.297 -1.904 1.00 30.10 N ATOM 833 CA GLN A 51 23.982 -0.439 -1.035 1.00 11.45 C ATOM 834 C GLN A 51 24.551 -1.851 -1.112 1.00 60.41 C ATOM 835 O GLN A 51 23.812 -2.833 -1.042 1.00 22.55 O ATOM 836 CB GLN A 51 23.607 -0.105 0.411 1.00 64.53 C ATOM 837 CG GLN A 51 24.637 0.758 1.122 1.00 34.13 C ATOM 838 CD GLN A 51 26.050 0.235 0.959 1.00 42.10 C ATOM 839 OE1 GLN A 51 26.758 0.608 0.023 1.00 71.33 O ATOM 840 NE2 GLN A 51 26.470 -0.633 1.872 1.00 74.43 N ATOM 0 H GLN A 51 22.335 -1.171 -2.105 1.00 30.10 H new ATOM 0 HA GLN A 51 24.746 0.259 -1.376 1.00 11.45 H new ATOM 0 HB2 GLN A 51 22.646 0.410 0.419 1.00 64.53 H new ATOM 0 HB3 GLN A 51 23.476 -1.033 0.967 1.00 64.53 H new ATOM 0 HG2 GLN A 51 24.583 1.775 0.734 1.00 34.13 H new ATOM 0 HG3 GLN A 51 24.393 0.809 2.183 1.00 34.13 H new ATOM 0 HE21 GLN A 51 25.850 -0.915 2.631 1.00 74.43 H new ATOM 0 HE22 GLN A 51 27.413 -1.018 1.814 1.00 74.43 H new ATOM 849 N SER A 52 25.869 -1.946 -1.258 1.00 72.11 N ATOM 850 CA SER A 52 26.537 -3.239 -1.350 1.00 32.14 C ATOM 851 C SER A 52 26.117 -4.150 -0.200 1.00 74.11 C ATOM 852 O SER A 52 26.075 -5.372 -0.344 1.00 31.22 O ATOM 853 CB SER A 52 28.055 -3.054 -1.340 1.00 24.22 C ATOM 854 OG SER A 52 28.469 -2.287 -0.222 1.00 54.25 O ATOM 0 H SER A 52 26.495 -1.143 -1.315 1.00 72.11 H new ATOM 0 HA SER A 52 26.241 -3.707 -2.289 1.00 32.14 H new ATOM 0 HB2 SER A 52 28.543 -4.028 -1.317 1.00 24.22 H new ATOM 0 HB3 SER A 52 28.370 -2.561 -2.260 1.00 24.22 H new ATOM 0 HG SER A 52 29.443 -2.185 -0.238 1.00 54.25 H new ATOM 860 N LYS A 53 25.806 -3.546 0.942 1.00 72.12 N ATOM 861 CA LYS A 53 25.387 -4.300 2.118 1.00 63.15 C ATOM 862 C LYS A 53 24.086 -3.743 2.687 1.00 44.14 C ATOM 863 O LYS A 53 24.052 -2.629 3.207 1.00 3.24 O ATOM 864 CB LYS A 53 26.481 -4.265 3.187 1.00 11.34 C ATOM 865 CG LYS A 53 26.827 -5.633 3.749 1.00 42.11 C ATOM 866 CD LYS A 53 28.090 -6.192 3.115 1.00 31.34 C ATOM 867 CE LYS A 53 28.932 -6.953 4.128 1.00 10.45 C ATOM 868 NZ LYS A 53 28.779 -8.427 3.982 1.00 42.31 N ATOM 0 H LYS A 53 25.836 -2.536 1.078 1.00 72.12 H new ATOM 0 HA LYS A 53 25.216 -5.333 1.815 1.00 63.15 H new ATOM 0 HB2 LYS A 53 27.380 -3.819 2.761 1.00 11.34 H new ATOM 0 HB3 LYS A 53 26.160 -3.617 4.003 1.00 11.34 H new ATOM 0 HG2 LYS A 53 26.962 -5.561 4.828 1.00 42.11 H new ATOM 0 HG3 LYS A 53 25.998 -6.319 3.576 1.00 42.11 H new ATOM 0 HD2 LYS A 53 27.823 -6.854 2.292 1.00 31.34 H new ATOM 0 HD3 LYS A 53 28.677 -5.377 2.691 1.00 31.34 H new ATOM 0 HE2 LYS A 53 29.981 -6.683 4.004 1.00 10.45 H new ATOM 0 HE3 LYS A 53 28.643 -6.656 5.136 1.00 10.45 H new ATOM 0 HZ1 LYS A 53 29.369 -8.909 4.690 1.00 42.31 H new ATOM 0 HZ2 LYS A 53 27.783 -8.688 4.125 1.00 42.31 H new ATOM 0 HZ3 LYS A 53 29.079 -8.714 3.028 1.00 42.31 H new ATOM 882 N GLY A 54 23.017 -4.527 2.585 1.00 41.34 N ATOM 883 CA GLY A 54 21.729 -4.094 3.095 1.00 62.42 C ATOM 884 C GLY A 54 20.570 -4.692 2.323 1.00 54.34 C ATOM 885 O GLY A 54 19.431 -4.683 2.792 1.00 2.02 O ATOM 0 H GLY A 54 23.020 -5.454 2.159 1.00 41.34 H new ATOM 0 HA2 GLY A 54 21.645 -4.373 4.145 1.00 62.42 H new ATOM 0 HA3 GLY A 54 21.670 -3.007 3.049 1.00 62.42 H new ATOM 889 N HIS A 55 20.857 -5.211 1.133 1.00 24.03 N ATOM 890 CA HIS A 55 19.829 -5.814 0.293 1.00 31.54 C ATOM 891 C HIS A 55 19.960 -7.334 0.281 1.00 21.53 C ATOM 892 O HIS A 55 20.977 -7.875 -0.153 1.00 14.00 O ATOM 893 CB HIS A 55 19.922 -5.272 -1.133 1.00 10.51 C ATOM 894 CG HIS A 55 21.167 -5.690 -1.853 1.00 52.10 C ATOM 895 ND1 HIS A 55 22.418 -5.206 -1.536 1.00 25.34 N ATOM 896 CD2 HIS A 55 21.348 -6.553 -2.879 1.00 71.55 C ATOM 897 CE1 HIS A 55 23.315 -5.753 -2.337 1.00 4.13 C ATOM 898 NE2 HIS A 55 22.692 -6.575 -3.161 1.00 53.35 N ATOM 0 H HIS A 55 21.793 -5.226 0.729 1.00 24.03 H new ATOM 0 HA HIS A 55 18.856 -5.553 0.710 1.00 31.54 H new ATOM 0 HB2 HIS A 55 19.054 -5.611 -1.699 1.00 10.51 H new ATOM 0 HB3 HIS A 55 19.878 -4.183 -1.103 1.00 10.51 H new ATOM 0 HD1 HIS A 55 22.620 -4.531 -0.798 1.00 25.34 H new ATOM 0 HD2 HIS A 55 20.579 -7.119 -3.383 1.00 71.55 H new ATOM 0 HE1 HIS A 55 24.378 -5.560 -2.320 1.00 4.13 H new ATOM 906 N GLU A 56 18.925 -8.017 0.762 1.00 43.14 N ATOM 907 CA GLU A 56 18.927 -9.474 0.807 1.00 61.40 C ATOM 908 C GLU A 56 17.590 -10.035 0.332 1.00 72.24 C ATOM 909 O GLU A 56 16.542 -9.752 0.914 1.00 3.05 O ATOM 910 CB GLU A 56 19.221 -9.962 2.227 1.00 22.21 C ATOM 911 CG GLU A 56 20.304 -11.026 2.293 1.00 31.21 C ATOM 912 CD GLU A 56 19.738 -12.428 2.410 1.00 32.12 C ATOM 913 OE1 GLU A 56 18.835 -12.635 3.248 1.00 3.35 O ATOM 914 OE2 GLU A 56 20.197 -13.318 1.664 1.00 31.24 O ATOM 0 H GLU A 56 18.076 -7.585 1.125 1.00 43.14 H new ATOM 0 HA GLU A 56 19.710 -9.831 0.138 1.00 61.40 H new ATOM 0 HB2 GLU A 56 19.521 -9.112 2.840 1.00 22.21 H new ATOM 0 HB3 GLU A 56 18.305 -10.361 2.662 1.00 22.21 H new ATOM 0 HG2 GLU A 56 20.925 -10.962 1.400 1.00 31.21 H new ATOM 0 HG3 GLU A 56 20.952 -10.827 3.147 1.00 31.21 H new ATOM 921 N LEU A 57 17.633 -10.831 -0.731 1.00 22.31 N ATOM 922 CA LEU A 57 16.426 -11.432 -1.286 1.00 74.44 C ATOM 923 C LEU A 57 15.988 -12.638 -0.461 1.00 64.31 C ATOM 924 O LEU A 57 16.592 -13.709 -0.539 1.00 21.24 O ATOM 925 CB LEU A 57 16.663 -11.852 -2.738 1.00 73.51 C ATOM 926 CG LEU A 57 16.962 -10.722 -3.724 1.00 20.35 C ATOM 927 CD1 LEU A 57 16.000 -9.563 -3.515 1.00 33.31 C ATOM 928 CD2 LEU A 57 18.403 -10.255 -3.577 1.00 53.41 C ATOM 0 H LEU A 57 18.491 -11.075 -1.226 1.00 22.31 H new ATOM 0 HA LEU A 57 15.632 -10.686 -1.255 1.00 74.44 H new ATOM 0 HB2 LEU A 57 17.495 -12.556 -2.760 1.00 73.51 H new ATOM 0 HB3 LEU A 57 15.781 -12.389 -3.088 1.00 73.51 H new ATOM 0 HG LEU A 57 16.825 -11.102 -4.736 1.00 20.35 H new ATOM 0 HD11 LEU A 57 16.228 -8.768 -4.225 1.00 33.31 H new ATOM 0 HD12 LEU A 57 14.977 -9.906 -3.671 1.00 33.31 H new ATOM 0 HD13 LEU A 57 16.104 -9.182 -2.499 1.00 33.31 H new ATOM 0 HD21 LEU A 57 18.599 -9.451 -4.286 1.00 53.41 H new ATOM 0 HD22 LEU A 57 18.566 -9.892 -2.562 1.00 53.41 H new ATOM 0 HD23 LEU A 57 19.077 -11.087 -3.777 1.00 53.41 H new ATOM 940 N LEU A 58 14.934 -12.458 0.327 1.00 25.23 N ATOM 941 CA LEU A 58 14.414 -13.532 1.166 1.00 31.40 C ATOM 942 C LEU A 58 14.244 -14.817 0.362 1.00 73.31 C ATOM 943 O LEU A 58 14.586 -15.903 0.828 1.00 5.22 O ATOM 944 CB LEU A 58 13.075 -13.122 1.782 1.00 5.23 C ATOM 945 CG LEU A 58 13.051 -12.988 3.305 1.00 33.03 C ATOM 946 CD1 LEU A 58 12.157 -11.831 3.725 1.00 31.41 C ATOM 947 CD2 LEU A 58 12.583 -14.286 3.947 1.00 30.12 C ATOM 0 H LEU A 58 14.423 -11.579 0.403 1.00 25.23 H new ATOM 0 HA LEU A 58 15.133 -13.717 1.964 1.00 31.40 H new ATOM 0 HB2 LEU A 58 12.775 -12.168 1.348 1.00 5.23 H new ATOM 0 HB3 LEU A 58 12.323 -13.855 1.490 1.00 5.23 H new ATOM 0 HG LEU A 58 14.064 -12.781 3.648 1.00 33.03 H new ATOM 0 HD11 LEU A 58 12.152 -11.751 4.812 1.00 31.41 H new ATOM 0 HD12 LEU A 58 12.535 -10.904 3.295 1.00 31.41 H new ATOM 0 HD13 LEU A 58 11.142 -12.008 3.370 1.00 31.41 H new ATOM 0 HD21 LEU A 58 12.572 -14.172 5.031 1.00 30.12 H new ATOM 0 HD22 LEU A 58 11.578 -14.524 3.597 1.00 30.12 H new ATOM 0 HD23 LEU A 58 13.263 -15.093 3.674 1.00 30.12 H new ATOM 1088 N ASP A 67 6.171 -13.947 -15.315 1.00 1.13 N ATOM 1089 CA ASP A 67 6.635 -12.893 -14.420 1.00 23.12 C ATOM 1090 C ASP A 67 6.462 -13.304 -12.961 1.00 13.42 C ATOM 1091 O ASP A 67 5.380 -13.721 -12.548 1.00 73.31 O ATOM 1092 CB ASP A 67 5.876 -11.593 -14.691 1.00 31.43 C ATOM 1093 CG ASP A 67 4.629 -11.463 -13.838 1.00 71.04 C ATOM 1094 OD1 ASP A 67 4.744 -10.999 -12.684 1.00 64.53 O ATOM 1095 OD2 ASP A 67 3.537 -11.824 -14.326 1.00 4.33 O ATOM 0 HA ASP A 67 7.696 -12.730 -14.609 1.00 23.12 H new ATOM 0 HB2 ASP A 67 6.534 -10.745 -14.500 1.00 31.43 H new ATOM 0 HB3 ASP A 67 5.599 -11.550 -15.744 1.00 31.43 H new ATOM 1100 N TRP A 68 7.534 -13.183 -12.186 1.00 54.13 N ATOM 1101 CA TRP A 68 7.500 -13.543 -10.773 1.00 52.42 C ATOM 1102 C TRP A 68 7.683 -12.311 -9.893 1.00 63.04 C ATOM 1103 O TRP A 68 7.792 -11.190 -10.391 1.00 40.13 O ATOM 1104 CB TRP A 68 8.586 -14.573 -10.462 1.00 62.41 C ATOM 1105 CG TRP A 68 8.160 -15.601 -9.458 1.00 73.44 C ATOM 1106 CD1 TRP A 68 8.625 -15.743 -8.182 1.00 60.43 C ATOM 1107 CD2 TRP A 68 7.184 -16.632 -9.649 1.00 13.43 C ATOM 1108 NE1 TRP A 68 7.997 -16.800 -7.568 1.00 1.02 N ATOM 1109 CE2 TRP A 68 7.108 -17.361 -8.446 1.00 12.22 C ATOM 1110 CE3 TRP A 68 6.365 -17.008 -10.717 1.00 2.30 C ATOM 1111 CZ2 TRP A 68 6.247 -18.443 -8.285 1.00 61.30 C ATOM 1112 CZ3 TRP A 68 5.512 -18.083 -10.556 1.00 13.51 C ATOM 1113 CH2 TRP A 68 5.457 -18.790 -9.347 1.00 42.34 C ATOM 0 H TRP A 68 8.437 -12.839 -12.512 1.00 54.13 H new ATOM 0 HA TRP A 68 6.524 -13.978 -10.558 1.00 52.42 H new ATOM 0 HB2 TRP A 68 8.875 -15.075 -11.385 1.00 62.41 H new ATOM 0 HB3 TRP A 68 9.471 -14.056 -10.089 1.00 62.41 H new ATOM 0 HD1 TRP A 68 9.376 -15.117 -7.723 1.00 60.43 H new ATOM 0 HE1 TRP A 68 8.166 -17.116 -6.613 1.00 1.02 H new ATOM 0 HE3 TRP A 68 6.398 -16.468 -11.652 1.00 2.30 H new ATOM 0 HZ2 TRP A 68 6.204 -18.989 -7.354 1.00 61.30 H new ATOM 0 HZ3 TRP A 68 4.877 -18.384 -11.376 1.00 13.51 H new ATOM 0 HH2 TRP A 68 4.778 -19.625 -9.252 1.00 42.34 H new ATOM 1124 N THR A 69 7.717 -12.525 -8.582 1.00 24.52 N ATOM 1125 CA THR A 69 7.887 -11.433 -7.633 1.00 11.53 C ATOM 1126 C THR A 69 9.094 -11.668 -6.732 1.00 61.43 C ATOM 1127 O THR A 69 9.274 -12.761 -6.193 1.00 51.13 O ATOM 1128 CB THR A 69 6.634 -11.251 -6.755 1.00 51.03 C ATOM 1129 OG1 THR A 69 6.973 -11.427 -5.375 1.00 74.32 O ATOM 1130 CG2 THR A 69 5.550 -12.244 -7.148 1.00 1.34 C ATOM 0 H THR A 69 7.629 -13.446 -8.153 1.00 24.52 H new ATOM 0 HA THR A 69 8.046 -10.528 -8.220 1.00 11.53 H new ATOM 0 HB THR A 69 6.253 -10.241 -6.908 1.00 51.03 H new ATOM 0 HG1 THR A 69 6.172 -11.308 -4.824 1.00 74.32 H new ATOM 0 HG21 THR A 69 4.675 -12.097 -6.515 1.00 1.34 H new ATOM 0 HG22 THR A 69 5.274 -12.087 -8.191 1.00 1.34 H new ATOM 0 HG23 THR A 69 5.924 -13.260 -7.020 1.00 1.34 H new ATOM 1138 N ILE A 70 9.918 -10.638 -6.573 1.00 71.21 N ATOM 1139 CA ILE A 70 11.107 -10.734 -5.736 1.00 2.11 C ATOM 1140 C ILE A 70 10.981 -9.852 -4.498 1.00 53.03 C ATOM 1141 O ILE A 70 10.825 -8.635 -4.603 1.00 72.30 O ATOM 1142 CB ILE A 70 12.376 -10.332 -6.511 1.00 75.05 C ATOM 1143 CG1 ILE A 70 13.602 -10.408 -5.600 1.00 64.14 C ATOM 1144 CG2 ILE A 70 12.223 -8.932 -7.088 1.00 32.24 C ATOM 1145 CD1 ILE A 70 13.779 -11.755 -4.936 1.00 21.50 C ATOM 0 H ILE A 70 9.784 -9.728 -7.013 1.00 71.21 H new ATOM 0 HA ILE A 70 11.193 -11.777 -5.430 1.00 2.11 H new ATOM 0 HB ILE A 70 12.517 -11.030 -7.336 1.00 75.05 H new ATOM 0 HG12 ILE A 70 14.493 -10.180 -6.184 1.00 64.14 H new ATOM 0 HG13 ILE A 70 13.521 -9.640 -4.830 1.00 64.14 H new ATOM 0 HG21 ILE A 70 13.128 -8.662 -7.633 1.00 32.24 H new ATOM 0 HG22 ILE A 70 11.370 -8.909 -7.767 1.00 32.24 H new ATOM 0 HG23 ILE A 70 12.061 -8.220 -6.278 1.00 32.24 H new ATOM 0 HD11 ILE A 70 14.668 -11.736 -4.305 1.00 21.50 H new ATOM 0 HD12 ILE A 70 12.905 -11.977 -4.324 1.00 21.50 H new ATOM 0 HD13 ILE A 70 13.892 -12.525 -5.699 1.00 21.50 H new ATOM 1157 N VAL A 71 11.051 -10.474 -3.325 1.00 52.25 N ATOM 1158 CA VAL A 71 10.947 -9.745 -2.067 1.00 23.43 C ATOM 1159 C VAL A 71 12.320 -9.301 -1.574 1.00 60.32 C ATOM 1160 O VAL A 71 13.194 -10.127 -1.309 1.00 35.21 O ATOM 1161 CB VAL A 71 10.275 -10.601 -0.977 1.00 21.33 C ATOM 1162 CG1 VAL A 71 9.663 -9.715 0.097 1.00 3.41 C ATOM 1163 CG2 VAL A 71 9.223 -11.514 -1.589 1.00 44.34 C ATOM 0 H VAL A 71 11.179 -11.480 -3.220 1.00 52.25 H new ATOM 0 HA VAL A 71 10.332 -8.866 -2.260 1.00 23.43 H new ATOM 0 HB VAL A 71 11.037 -11.225 -0.509 1.00 21.33 H new ATOM 0 HG11 VAL A 71 9.193 -10.338 0.858 1.00 3.41 H new ATOM 0 HG12 VAL A 71 10.443 -9.108 0.556 1.00 3.41 H new ATOM 0 HG13 VAL A 71 8.913 -9.064 -0.352 1.00 3.41 H new ATOM 0 HG21 VAL A 71 8.759 -12.111 -0.804 1.00 44.34 H new ATOM 0 HG22 VAL A 71 8.462 -10.911 -2.085 1.00 44.34 H new ATOM 0 HG23 VAL A 71 9.694 -12.175 -2.317 1.00 44.34 H new ATOM 1173 N VAL A 72 12.504 -7.990 -1.454 1.00 32.34 N ATOM 1174 CA VAL A 72 13.770 -7.435 -0.991 1.00 62.21 C ATOM 1175 C VAL A 72 13.612 -6.765 0.369 1.00 25.43 C ATOM 1176 O VAL A 72 12.770 -5.885 0.545 1.00 1.11 O ATOM 1177 CB VAL A 72 14.333 -6.410 -1.994 1.00 22.34 C ATOM 1178 CG1 VAL A 72 15.793 -6.112 -1.690 1.00 25.44 C ATOM 1179 CG2 VAL A 72 14.169 -6.915 -3.419 1.00 51.43 C ATOM 0 H VAL A 72 11.792 -7.293 -1.671 1.00 32.34 H new ATOM 0 HA VAL A 72 14.468 -8.268 -0.903 1.00 62.21 H new ATOM 0 HB VAL A 72 13.770 -5.482 -1.894 1.00 22.34 H new ATOM 0 HG11 VAL A 72 16.173 -5.386 -2.409 1.00 25.44 H new ATOM 0 HG12 VAL A 72 15.879 -5.705 -0.683 1.00 25.44 H new ATOM 0 HG13 VAL A 72 16.374 -7.031 -1.761 1.00 25.44 H new ATOM 0 HG21 VAL A 72 14.572 -6.179 -4.115 1.00 51.43 H new ATOM 0 HG22 VAL A 72 14.706 -7.856 -3.536 1.00 51.43 H new ATOM 0 HG23 VAL A 72 13.111 -7.072 -3.630 1.00 51.43 H new ATOM 1189 N ARG A 73 14.429 -7.188 1.329 1.00 71.00 N ATOM 1190 CA ARG A 73 14.380 -6.629 2.675 1.00 73.52 C ATOM 1191 C ARG A 73 15.504 -5.620 2.886 1.00 40.54 C ATOM 1192 O ARG A 73 16.678 -5.986 2.954 1.00 15.44 O ATOM 1193 CB ARG A 73 14.480 -7.745 3.717 1.00 53.11 C ATOM 1194 CG ARG A 73 15.614 -8.722 3.456 1.00 4.03 C ATOM 1195 CD ARG A 73 16.393 -9.023 4.727 1.00 5.21 C ATOM 1196 NE ARG A 73 15.651 -9.898 5.630 1.00 12.12 N ATOM 1197 CZ ARG A 73 15.587 -11.217 5.488 1.00 72.14 C ATOM 1198 NH1 ARG A 73 16.218 -11.810 4.484 1.00 61.22 N ATOM 1199 NH2 ARG A 73 14.890 -11.946 6.351 1.00 45.23 N ATOM 0 H ARG A 73 15.132 -7.915 1.200 1.00 71.00 H new ATOM 0 HA ARG A 73 13.426 -6.114 2.793 1.00 73.52 H new ATOM 0 HB2 ARG A 73 14.615 -7.299 4.702 1.00 53.11 H new ATOM 0 HB3 ARG A 73 13.538 -8.293 3.742 1.00 53.11 H new ATOM 0 HG2 ARG A 73 15.211 -9.648 3.047 1.00 4.03 H new ATOM 0 HG3 ARG A 73 16.287 -8.308 2.705 1.00 4.03 H new ATOM 0 HD2 ARG A 73 17.343 -9.491 4.468 1.00 5.21 H new ATOM 0 HD3 ARG A 73 16.627 -8.089 5.238 1.00 5.21 H new ATOM 0 HE ARG A 73 15.154 -9.473 6.413 1.00 12.12 H new ATOM 0 HH11 ARG A 73 16.754 -11.253 3.819 1.00 61.22 H new ATOM 0 HH12 ARG A 73 16.167 -12.823 4.377 1.00 61.22 H new ATOM 0 HH21 ARG A 73 14.403 -11.493 7.124 1.00 45.23 H new ATOM 0 HH22 ARG A 73 14.842 -12.959 6.241 1.00 45.23 H new ATOM 1213 N LYS A 74 15.137 -4.346 2.987 1.00 23.51 N ATOM 1214 CA LYS A 74 16.113 -3.283 3.191 1.00 43.52 C ATOM 1215 C LYS A 74 16.948 -3.542 4.441 1.00 64.24 C ATOM 1216 O LYS A 74 16.524 -4.261 5.345 1.00 31.34 O ATOM 1217 CB LYS A 74 15.407 -1.930 3.308 1.00 31.15 C ATOM 1218 CG LYS A 74 15.241 -1.213 1.980 1.00 41.11 C ATOM 1219 CD LYS A 74 16.396 -0.262 1.711 1.00 34.15 C ATOM 1220 CE LYS A 74 16.221 1.051 2.458 1.00 1.34 C ATOM 1221 NZ LYS A 74 17.461 1.446 3.183 1.00 13.02 N ATOM 0 H LYS A 74 14.170 -4.026 2.931 1.00 23.51 H new ATOM 0 HA LYS A 74 16.779 -3.266 2.328 1.00 43.52 H new ATOM 0 HB2 LYS A 74 14.424 -2.080 3.755 1.00 31.15 H new ATOM 0 HB3 LYS A 74 15.973 -1.292 3.987 1.00 31.15 H new ATOM 0 HG2 LYS A 74 15.177 -1.946 1.176 1.00 41.11 H new ATOM 0 HG3 LYS A 74 14.303 -0.657 1.980 1.00 41.11 H new ATOM 0 HD2 LYS A 74 17.333 -0.731 2.012 1.00 34.15 H new ATOM 0 HD3 LYS A 74 16.466 -0.067 0.641 1.00 34.15 H new ATOM 0 HE2 LYS A 74 15.947 1.836 1.753 1.00 1.34 H new ATOM 0 HE3 LYS A 74 15.399 0.958 3.168 1.00 1.34 H new ATOM 0 HZ1 LYS A 74 17.281 2.309 3.734 1.00 13.02 H new ATOM 0 HZ2 LYS A 74 17.747 0.679 3.825 1.00 13.02 H new ATOM 0 HZ3 LYS A 74 18.222 1.625 2.497 1.00 13.02 H new ATOM 1235 N LYS A 75 18.138 -2.951 4.485 1.00 33.42 N ATOM 1236 CA LYS A 75 19.032 -3.116 5.625 1.00 60.00 C ATOM 1237 C LYS A 75 20.314 -2.313 5.431 1.00 42.11 C ATOM 1238 O LYS A 75 20.441 -1.550 4.473 1.00 30.35 O ATOM 1239 CB LYS A 75 19.370 -4.595 5.825 1.00 35.22 C ATOM 1240 CG LYS A 75 18.941 -5.139 7.177 1.00 74.31 C ATOM 1241 CD LYS A 75 20.120 -5.704 7.950 1.00 22.43 C ATOM 1242 CE LYS A 75 19.666 -6.677 9.028 1.00 72.35 C ATOM 1243 NZ LYS A 75 20.740 -7.643 9.392 1.00 54.32 N ATOM 0 H LYS A 75 18.505 -2.354 3.744 1.00 33.42 H new ATOM 0 HA LYS A 75 18.521 -2.743 6.513 1.00 60.00 H new ATOM 0 HB2 LYS A 75 18.890 -5.178 5.039 1.00 35.22 H new ATOM 0 HB3 LYS A 75 20.445 -4.732 5.712 1.00 35.22 H new ATOM 0 HG2 LYS A 75 18.471 -4.345 7.757 1.00 74.31 H new ATOM 0 HG3 LYS A 75 18.191 -5.917 7.036 1.00 74.31 H new ATOM 0 HD2 LYS A 75 20.797 -6.211 7.263 1.00 22.43 H new ATOM 0 HD3 LYS A 75 20.681 -4.889 8.407 1.00 22.43 H new ATOM 0 HE2 LYS A 75 19.362 -6.121 9.915 1.00 72.35 H new ATOM 0 HE3 LYS A 75 18.790 -7.223 8.679 1.00 72.35 H new ATOM 0 HZ1 LYS A 75 20.391 -8.288 10.129 1.00 54.32 H new ATOM 0 HZ2 LYS A 75 21.012 -8.192 8.552 1.00 54.32 H new ATOM 0 HZ3 LYS A 75 21.567 -7.124 9.750 1.00 54.32 H new