USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=9 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+ -120:sc= -0.684 (180deg=-3.19!) 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 -109:sc= -2.18 (180deg=-7.53!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.47) USER MOD Single : A 34 MET CE :methyl -110:sc= -2.18 (180deg=-6.14!) 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 180:sc= -0.115 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.0102 (180deg=-0.0969) USER MOD Single : A 55 HIS : no HE2:sc= -1.03 K(o=-1,f=-3.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -161:sc= 0.769 (180deg=0.531) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 3.806 -1.297 -0.924 1.00 13.32 N ATOM 19 CA LYS A 2 5.226 -1.581 -0.758 1.00 61.35 C ATOM 20 C LYS A 2 5.715 -2.552 -1.829 1.00 34.45 C ATOM 21 O LYS A 2 6.473 -3.478 -1.540 1.00 72.40 O ATOM 22 CB LYS A 2 5.492 -2.162 0.632 1.00 24.02 C ATOM 23 CG LYS A 2 4.775 -3.476 0.890 1.00 4.12 C ATOM 24 CD LYS A 2 5.135 -4.050 2.250 1.00 0.45 C ATOM 25 CE LYS A 2 4.494 -5.412 2.468 1.00 14.52 C ATOM 26 NZ LYS A 2 4.919 -6.396 1.435 1.00 32.43 N ATOM 0 HA LYS A 2 5.773 -0.644 -0.864 1.00 61.35 H new ATOM 0 HB2 LYS A 2 6.565 -2.313 0.754 1.00 24.02 H new ATOM 0 HB3 LYS A 2 5.185 -1.436 1.385 1.00 24.02 H new ATOM 0 HG2 LYS A 2 3.698 -3.321 0.833 1.00 4.12 H new ATOM 0 HG3 LYS A 2 5.035 -4.193 0.111 1.00 4.12 H new ATOM 0 HD2 LYS A 2 6.218 -4.139 2.333 1.00 0.45 H new ATOM 0 HD3 LYS A 2 4.810 -3.365 3.033 1.00 0.45 H new ATOM 0 HE2 LYS A 2 4.761 -5.785 3.457 1.00 14.52 H new ATOM 0 HE3 LYS A 2 3.409 -5.310 2.448 1.00 14.52 H new ATOM 0 HZ1 LYS A 2 4.084 -6.738 0.917 1.00 32.43 H new ATOM 0 HZ2 LYS A 2 5.576 -5.940 0.770 1.00 32.43 H new ATOM 0 HZ3 LYS A 2 5.394 -7.199 1.895 1.00 32.43 H new ATOM 40 N ARG A 3 5.277 -2.334 -3.064 1.00 54.40 N ATOM 41 CA ARG A 3 5.670 -3.190 -4.177 1.00 11.42 C ATOM 42 C ARG A 3 5.880 -2.369 -5.446 1.00 3.01 C ATOM 43 O ARG A 3 5.439 -1.223 -5.537 1.00 45.00 O ATOM 44 CB ARG A 3 4.609 -4.264 -4.421 1.00 52.04 C ATOM 45 CG ARG A 3 3.333 -3.728 -5.051 1.00 64.23 C ATOM 46 CD ARG A 3 2.124 -3.989 -4.168 1.00 14.45 C ATOM 47 NE ARG A 3 0.957 -4.399 -4.944 1.00 53.30 N ATOM 48 CZ ARG A 3 -0.078 -5.052 -4.427 1.00 23.13 C ATOM 49 NH1 ARG A 3 -0.090 -5.367 -3.139 1.00 20.51 N ATOM 50 NH2 ARG A 3 -1.103 -5.391 -5.198 1.00 1.01 N ATOM 0 H ARG A 3 4.649 -1.572 -3.320 1.00 54.40 H new ATOM 0 HA ARG A 3 6.612 -3.672 -3.917 1.00 11.42 H new ATOM 0 HB2 ARG A 3 5.027 -5.035 -5.068 1.00 52.04 H new ATOM 0 HB3 ARG A 3 4.363 -4.742 -3.473 1.00 52.04 H new ATOM 0 HG2 ARG A 3 3.434 -2.657 -5.224 1.00 64.23 H new ATOM 0 HG3 ARG A 3 3.182 -4.196 -6.024 1.00 64.23 H new ATOM 0 HD2 ARG A 3 2.367 -4.764 -3.441 1.00 14.45 H new ATOM 0 HD3 ARG A 3 1.886 -3.087 -3.604 1.00 14.45 H new ATOM 0 HE ARG A 3 0.935 -4.171 -5.938 1.00 53.30 H new ATOM 0 HH11 ARG A 3 0.696 -5.108 -2.543 1.00 20.51 H new ATOM 0 HH12 ARG A 3 -0.886 -5.868 -2.744 1.00 20.51 H new ATOM 0 HH21 ARG A 3 -1.097 -5.150 -6.189 1.00 1.01 H new ATOM 0 HH22 ARG A 3 -1.897 -5.892 -4.800 1.00 1.01 H new ATOM 64 N PHE A 4 6.557 -2.963 -6.423 1.00 61.21 N ATOM 65 CA PHE A 4 6.827 -2.287 -7.687 1.00 25.14 C ATOM 66 C PHE A 4 6.540 -3.208 -8.869 1.00 33.03 C ATOM 67 O PHE A 4 7.168 -4.256 -9.020 1.00 73.12 O ATOM 68 CB PHE A 4 8.282 -1.815 -7.736 1.00 21.03 C ATOM 69 CG PHE A 4 8.432 -0.374 -8.132 1.00 14.14 C ATOM 70 CD1 PHE A 4 7.746 0.620 -7.451 1.00 62.23 C ATOM 71 CD2 PHE A 4 9.258 -0.013 -9.184 1.00 12.24 C ATOM 72 CE1 PHE A 4 7.881 1.946 -7.814 1.00 45.52 C ATOM 73 CE2 PHE A 4 9.397 1.312 -9.551 1.00 3.52 C ATOM 74 CZ PHE A 4 8.709 2.293 -8.864 1.00 51.43 C ATOM 0 H PHE A 4 6.929 -3.911 -6.364 1.00 61.21 H new ATOM 0 HA PHE A 4 6.168 -1.421 -7.755 1.00 25.14 H new ATOM 0 HB2 PHE A 4 8.737 -1.964 -6.757 1.00 21.03 H new ATOM 0 HB3 PHE A 4 8.834 -2.437 -8.441 1.00 21.03 H new ATOM 0 HD1 PHE A 4 7.099 0.355 -6.628 1.00 62.23 H new ATOM 0 HD2 PHE A 4 9.800 -0.776 -9.724 1.00 12.24 H new ATOM 0 HE1 PHE A 4 7.340 2.711 -7.277 1.00 45.52 H new ATOM 0 HE2 PHE A 4 10.043 1.580 -10.374 1.00 3.52 H new ATOM 0 HZ PHE A 4 8.818 3.329 -9.147 1.00 51.43 H new ATOM 84 N ASP A 5 5.586 -2.809 -9.703 1.00 31.21 N ATOM 85 CA ASP A 5 5.214 -3.597 -10.872 1.00 61.42 C ATOM 86 C ASP A 5 6.012 -3.162 -12.097 1.00 50.13 C ATOM 87 O ASP A 5 5.658 -2.192 -12.769 1.00 44.20 O ATOM 88 CB ASP A 5 3.716 -3.462 -11.149 1.00 60.54 C ATOM 89 CG ASP A 5 2.981 -4.782 -11.014 1.00 41.50 C ATOM 90 OD1 ASP A 5 3.454 -5.785 -11.586 1.00 64.31 O ATOM 91 OD2 ASP A 5 1.932 -4.810 -10.337 1.00 10.23 O ATOM 0 H ASP A 5 5.056 -1.945 -9.591 1.00 31.21 H new ATOM 0 HA ASP A 5 5.444 -4.642 -10.663 1.00 61.42 H new ATOM 0 HB2 ASP A 5 3.285 -2.737 -10.458 1.00 60.54 H new ATOM 0 HB3 ASP A 5 3.569 -3.069 -12.155 1.00 60.54 H new ATOM 96 N LEU A 6 7.090 -3.884 -12.382 1.00 1.10 N ATOM 97 CA LEU A 6 7.940 -3.572 -13.526 1.00 53.21 C ATOM 98 C LEU A 6 7.494 -4.345 -14.763 1.00 34.33 C ATOM 99 O LEU A 6 8.156 -4.313 -15.800 1.00 10.51 O ATOM 100 CB LEU A 6 9.400 -3.897 -13.206 1.00 73.30 C ATOM 101 CG LEU A 6 10.103 -2.944 -12.239 1.00 64.42 C ATOM 102 CD1 LEU A 6 9.948 -1.504 -12.702 1.00 1.14 C ATOM 103 CD2 LEU A 6 9.557 -3.116 -10.829 1.00 41.43 C ATOM 0 H LEU A 6 7.396 -4.690 -11.837 1.00 1.10 H new ATOM 0 HA LEU A 6 7.849 -2.506 -13.734 1.00 53.21 H new ATOM 0 HB2 LEU A 6 9.445 -4.903 -12.790 1.00 73.30 H new ATOM 0 HB3 LEU A 6 9.961 -3.914 -14.140 1.00 73.30 H new ATOM 0 HG LEU A 6 11.165 -3.187 -12.227 1.00 64.42 H new ATOM 0 HD11 LEU A 6 10.455 -0.840 -12.002 1.00 1.14 H new ATOM 0 HD12 LEU A 6 10.389 -1.391 -13.693 1.00 1.14 H new ATOM 0 HD13 LEU A 6 8.889 -1.247 -12.744 1.00 1.14 H new ATOM 0 HD21 LEU A 6 10.069 -2.430 -10.154 1.00 41.43 H new ATOM 0 HD22 LEU A 6 8.489 -2.900 -10.824 1.00 41.43 H new ATOM 0 HD23 LEU A 6 9.722 -4.141 -10.498 1.00 41.43 H new ATOM 115 N ARG A 7 6.366 -5.039 -14.646 1.00 11.33 N ATOM 116 CA ARG A 7 5.831 -5.820 -15.754 1.00 53.34 C ATOM 117 C ARG A 7 5.756 -4.979 -17.026 1.00 4.14 C ATOM 118 O ARG A 7 6.377 -5.290 -18.042 1.00 61.23 O ATOM 119 CB ARG A 7 4.442 -6.357 -15.404 1.00 30.22 C ATOM 120 CG ARG A 7 4.419 -7.852 -15.132 1.00 34.52 C ATOM 121 CD ARG A 7 3.287 -8.229 -14.188 1.00 23.30 C ATOM 122 NE ARG A 7 2.204 -8.921 -14.881 1.00 54.31 N ATOM 123 CZ ARG A 7 0.994 -9.099 -14.361 1.00 44.01 C ATOM 124 NH1 ARG A 7 0.716 -8.639 -13.149 1.00 53.33 N ATOM 125 NH2 ARG A 7 0.061 -9.738 -15.054 1.00 34.52 N ATOM 0 H ARG A 7 5.805 -5.076 -13.795 1.00 11.33 H new ATOM 0 HA ARG A 7 6.504 -6.659 -15.932 1.00 53.34 H new ATOM 0 HB2 ARG A 7 4.069 -5.830 -14.526 1.00 30.22 H new ATOM 0 HB3 ARG A 7 3.758 -6.135 -16.223 1.00 30.22 H new ATOM 0 HG2 ARG A 7 4.306 -8.392 -16.072 1.00 34.52 H new ATOM 0 HG3 ARG A 7 5.372 -8.159 -14.701 1.00 34.52 H new ATOM 0 HD2 ARG A 7 3.675 -8.867 -13.394 1.00 23.30 H new ATOM 0 HD3 ARG A 7 2.897 -7.329 -13.713 1.00 23.30 H new ATOM 0 HE ARG A 7 2.386 -9.288 -15.815 1.00 54.31 H new ATOM 0 HH11 ARG A 7 1.432 -8.147 -12.614 1.00 53.33 H new ATOM 0 HH12 ARG A 7 -0.213 -8.777 -12.752 1.00 53.33 H new ATOM 0 HH21 ARG A 7 0.272 -10.093 -15.987 1.00 34.52 H new ATOM 0 HH22 ARG A 7 -0.867 -9.874 -14.654 1.00 34.52 H new ATOM 139 N PRO A 8 4.979 -3.888 -16.969 1.00 54.40 N ATOM 140 CA PRO A 8 4.805 -2.980 -18.107 1.00 15.23 C ATOM 141 C PRO A 8 6.069 -2.183 -18.411 1.00 75.13 C ATOM 142 O PRO A 8 6.167 -1.529 -19.450 1.00 42.04 O ATOM 143 CB PRO A 8 3.682 -2.046 -17.647 1.00 72.31 C ATOM 144 CG PRO A 8 3.754 -2.071 -16.159 1.00 72.23 C ATOM 145 CD PRO A 8 4.210 -3.456 -15.790 1.00 14.32 C ATOM 0 HA PRO A 8 4.580 -3.519 -19.028 1.00 15.23 H new ATOM 0 HB2 PRO A 8 3.823 -1.037 -18.033 1.00 72.31 H new ATOM 0 HB3 PRO A 8 2.711 -2.390 -18.002 1.00 72.31 H new ATOM 0 HG2 PRO A 8 4.451 -1.319 -15.789 1.00 72.23 H new ATOM 0 HG3 PRO A 8 2.782 -1.849 -15.717 1.00 72.23 H new ATOM 0 HD2 PRO A 8 4.824 -3.450 -14.890 1.00 14.32 H new ATOM 0 HD3 PRO A 8 3.366 -4.118 -15.596 1.00 14.32 H new ATOM 153 N LEU A 9 7.033 -2.242 -17.500 1.00 63.20 N ATOM 154 CA LEU A 9 8.293 -1.526 -17.672 1.00 33.14 C ATOM 155 C LEU A 9 9.258 -2.324 -18.542 1.00 5.20 C ATOM 156 O LEU A 9 9.354 -3.545 -18.423 1.00 65.52 O ATOM 157 CB LEU A 9 8.930 -1.242 -16.310 1.00 63.44 C ATOM 158 CG LEU A 9 8.769 0.182 -15.778 1.00 23.25 C ATOM 159 CD1 LEU A 9 7.819 0.203 -14.590 1.00 43.32 C ATOM 160 CD2 LEU A 9 10.122 0.763 -15.391 1.00 73.24 C ATOM 0 H LEU A 9 6.967 -2.778 -16.635 1.00 63.20 H new ATOM 0 HA LEU A 9 8.081 -0.581 -18.171 1.00 33.14 H new ATOM 0 HB2 LEU A 9 8.504 -1.931 -15.581 1.00 63.44 H new ATOM 0 HB3 LEU A 9 9.995 -1.466 -16.375 1.00 63.44 H new ATOM 0 HG LEU A 9 8.343 0.799 -16.569 1.00 23.25 H new ATOM 0 HD11 LEU A 9 7.716 1.225 -14.224 1.00 43.32 H new ATOM 0 HD12 LEU A 9 6.843 -0.172 -14.898 1.00 43.32 H new ATOM 0 HD13 LEU A 9 8.216 -0.429 -13.795 1.00 43.32 H new ATOM 0 HD21 LEU A 9 9.988 1.777 -15.014 1.00 73.24 H new ATOM 0 HD22 LEU A 9 10.575 0.145 -14.616 1.00 73.24 H new ATOM 0 HD23 LEU A 9 10.773 0.783 -16.265 1.00 73.24 H new ATOM 172 N LYS A 10 9.974 -1.625 -19.416 1.00 44.41 N ATOM 173 CA LYS A 10 10.936 -2.266 -20.305 1.00 3.32 C ATOM 174 C LYS A 10 12.226 -2.599 -19.562 1.00 10.45 C ATOM 175 O LYS A 10 12.501 -2.044 -18.498 1.00 44.32 O ATOM 176 CB LYS A 10 11.243 -1.358 -21.498 1.00 74.13 C ATOM 177 CG LYS A 10 12.111 -0.163 -21.146 1.00 45.03 C ATOM 178 CD LYS A 10 12.326 0.743 -22.347 1.00 44.10 C ATOM 179 CE LYS A 10 11.136 1.663 -22.571 1.00 42.30 C ATOM 180 NZ LYS A 10 11.246 2.410 -23.855 1.00 24.02 N ATOM 0 H LYS A 10 9.906 -0.613 -19.528 1.00 44.41 H new ATOM 0 HA LYS A 10 10.495 -3.195 -20.667 1.00 3.32 H new ATOM 0 HB2 LYS A 10 11.742 -1.943 -22.270 1.00 74.13 H new ATOM 0 HB3 LYS A 10 10.305 -1.002 -21.924 1.00 74.13 H new ATOM 0 HG2 LYS A 10 11.643 0.403 -20.341 1.00 45.03 H new ATOM 0 HG3 LYS A 10 13.075 -0.509 -20.773 1.00 45.03 H new ATOM 0 HD2 LYS A 10 13.226 1.340 -22.197 1.00 44.10 H new ATOM 0 HD3 LYS A 10 12.491 0.136 -23.237 1.00 44.10 H new ATOM 0 HE2 LYS A 10 10.218 1.076 -22.570 1.00 42.30 H new ATOM 0 HE3 LYS A 10 11.063 2.370 -21.745 1.00 42.30 H new ATOM 0 HZ1 LYS A 10 10.416 3.026 -23.971 1.00 24.02 H new ATOM 0 HZ2 LYS A 10 12.109 2.990 -23.846 1.00 24.02 H new ATOM 0 HZ3 LYS A 10 11.290 1.736 -24.646 1.00 24.02 H new ATOM 194 N ALA A 11 13.013 -3.506 -20.129 1.00 63.51 N ATOM 195 CA ALA A 11 14.275 -3.910 -19.522 1.00 24.02 C ATOM 196 C ALA A 11 15.316 -2.800 -19.628 1.00 75.03 C ATOM 197 O ALA A 11 15.368 -2.079 -20.623 1.00 50.53 O ATOM 198 CB ALA A 11 14.791 -5.184 -20.174 1.00 65.01 C ATOM 0 H ALA A 11 12.799 -3.976 -21.009 1.00 63.51 H new ATOM 0 HA ALA A 11 14.095 -4.104 -18.465 1.00 24.02 H new ATOM 0 HB1 ALA A 11 15.734 -5.474 -19.711 1.00 65.01 H new ATOM 0 HB2 ALA A 11 14.061 -5.982 -20.041 1.00 65.01 H new ATOM 0 HB3 ALA A 11 14.948 -5.010 -21.238 1.00 65.01 H new ATOM 204 N GLY A 12 16.142 -2.668 -18.595 1.00 61.50 N ATOM 205 CA GLY A 12 17.169 -1.643 -18.593 1.00 22.34 C ATOM 206 C GLY A 12 16.859 -0.514 -17.630 1.00 52.14 C ATOM 207 O GLY A 12 17.743 -0.034 -16.921 1.00 2.33 O ATOM 0 H GLY A 12 16.118 -3.253 -17.759 1.00 61.50 H new ATOM 0 HA2 GLY A 12 18.126 -2.092 -18.326 1.00 22.34 H new ATOM 0 HA3 GLY A 12 17.277 -1.239 -19.600 1.00 22.34 H new ATOM 211 N ILE A 13 15.601 -0.088 -17.607 1.00 55.31 N ATOM 212 CA ILE A 13 15.177 0.993 -16.725 1.00 73.32 C ATOM 213 C ILE A 13 14.472 0.448 -15.488 1.00 21.25 C ATOM 214 O ILE A 13 14.531 1.045 -14.413 1.00 1.33 O ATOM 215 CB ILE A 13 14.235 1.973 -17.449 1.00 14.15 C ATOM 216 CG1 ILE A 13 14.820 2.369 -18.806 1.00 13.33 C ATOM 217 CG2 ILE A 13 13.992 3.205 -16.590 1.00 41.50 C ATOM 218 CD1 ILE A 13 13.945 3.327 -19.585 1.00 31.45 C ATOM 0 H ILE A 13 14.857 -0.474 -18.189 1.00 55.31 H new ATOM 0 HA ILE A 13 16.079 1.525 -16.422 1.00 73.32 H new ATOM 0 HB ILE A 13 13.279 1.478 -17.618 1.00 14.15 H new ATOM 0 HG12 ILE A 13 15.797 2.826 -18.652 1.00 13.33 H new ATOM 0 HG13 ILE A 13 14.979 1.469 -19.401 1.00 13.33 H new ATOM 0 HG21 ILE A 13 13.325 3.889 -17.115 1.00 41.50 H new ATOM 0 HG22 ILE A 13 13.536 2.906 -15.646 1.00 41.50 H new ATOM 0 HG23 ILE A 13 14.941 3.704 -16.393 1.00 41.50 H new ATOM 0 HD11 ILE A 13 14.422 3.564 -20.536 1.00 31.45 H new ATOM 0 HD12 ILE A 13 12.975 2.865 -19.771 1.00 31.45 H new ATOM 0 HD13 ILE A 13 13.807 4.243 -19.010 1.00 31.45 H new ATOM 230 N PHE A 14 13.807 -0.692 -15.646 1.00 12.32 N ATOM 231 CA PHE A 14 13.091 -1.319 -14.541 1.00 0.22 C ATOM 232 C PHE A 14 14.033 -1.604 -13.375 1.00 11.34 C ATOM 233 O PHE A 14 13.606 -1.679 -12.223 1.00 73.11 O ATOM 234 CB PHE A 14 12.429 -2.618 -15.006 1.00 4.33 C ATOM 235 CG PHE A 14 13.375 -3.783 -15.068 1.00 72.20 C ATOM 236 CD1 PHE A 14 14.514 -3.727 -15.854 1.00 42.33 C ATOM 237 CD2 PHE A 14 13.124 -4.935 -14.341 1.00 33.54 C ATOM 238 CE1 PHE A 14 15.387 -4.797 -15.914 1.00 35.34 C ATOM 239 CE2 PHE A 14 13.993 -6.009 -14.396 1.00 15.14 C ATOM 240 CZ PHE A 14 15.125 -5.940 -15.184 1.00 74.30 C ATOM 0 H PHE A 14 13.749 -1.200 -16.528 1.00 12.32 H new ATOM 0 HA PHE A 14 12.320 -0.628 -14.202 1.00 0.22 H new ATOM 0 HB2 PHE A 14 11.609 -2.861 -14.330 1.00 4.33 H new ATOM 0 HB3 PHE A 14 11.993 -2.461 -15.993 1.00 4.33 H new ATOM 0 HD1 PHE A 14 14.723 -2.836 -16.427 1.00 42.33 H new ATOM 0 HD2 PHE A 14 12.239 -4.995 -13.724 1.00 33.54 H new ATOM 0 HE1 PHE A 14 16.272 -4.739 -16.530 1.00 35.34 H new ATOM 0 HE2 PHE A 14 13.787 -6.901 -13.823 1.00 15.14 H new ATOM 0 HZ PHE A 14 15.804 -6.778 -15.229 1.00 74.30 H new ATOM 250 N GLU A 15 15.316 -1.762 -13.683 1.00 44.51 N ATOM 251 CA GLU A 15 16.318 -2.040 -12.661 1.00 4.41 C ATOM 252 C GLU A 15 16.810 -0.747 -12.015 1.00 32.41 C ATOM 253 O GLU A 15 17.278 -0.749 -10.876 1.00 72.13 O ATOM 254 CB GLU A 15 17.499 -2.801 -13.267 1.00 4.03 C ATOM 255 CG GLU A 15 18.679 -2.947 -12.320 1.00 60.33 C ATOM 256 CD GLU A 15 19.830 -2.027 -12.676 1.00 41.41 C ATOM 257 OE1 GLU A 15 20.270 -2.050 -13.844 1.00 60.05 O ATOM 258 OE2 GLU A 15 20.291 -1.282 -11.785 1.00 73.13 O ATOM 0 H GLU A 15 15.686 -1.702 -14.632 1.00 44.51 H new ATOM 0 HA GLU A 15 15.853 -2.657 -11.892 1.00 4.41 H new ATOM 0 HB2 GLU A 15 17.164 -3.792 -13.572 1.00 4.03 H new ATOM 0 HB3 GLU A 15 17.829 -2.285 -14.169 1.00 4.03 H new ATOM 0 HG2 GLU A 15 18.351 -2.736 -11.302 1.00 60.33 H new ATOM 0 HG3 GLU A 15 19.026 -3.980 -12.335 1.00 60.33 H new ATOM 265 N ARG A 16 16.700 0.354 -12.751 1.00 21.13 N ATOM 266 CA ARG A 16 17.134 1.653 -12.251 1.00 65.12 C ATOM 267 C ARG A 16 16.020 2.332 -11.461 1.00 55.34 C ATOM 268 O ARG A 16 16.280 3.101 -10.535 1.00 31.34 O ATOM 269 CB ARG A 16 17.571 2.549 -13.411 1.00 43.24 C ATOM 270 CG ARG A 16 19.066 2.509 -13.683 1.00 23.04 C ATOM 271 CD ARG A 16 19.363 2.528 -15.174 1.00 13.30 C ATOM 272 NE ARG A 16 20.286 3.601 -15.535 1.00 14.22 N ATOM 273 CZ ARG A 16 20.685 3.839 -16.779 1.00 4.20 C ATOM 274 NH1 ARG A 16 20.245 3.084 -17.776 1.00 41.52 N ATOM 275 NH2 ARG A 16 21.527 4.834 -17.028 1.00 1.43 N ATOM 0 H ARG A 16 16.314 0.373 -13.695 1.00 21.13 H new ATOM 0 HA ARG A 16 17.982 1.493 -11.585 1.00 65.12 H new ATOM 0 HB2 ARG A 16 17.038 2.247 -14.313 1.00 43.24 H new ATOM 0 HB3 ARG A 16 17.277 3.576 -13.196 1.00 43.24 H new ATOM 0 HG2 ARG A 16 19.547 3.362 -13.205 1.00 23.04 H new ATOM 0 HG3 ARG A 16 19.494 1.611 -13.237 1.00 23.04 H new ATOM 0 HD2 ARG A 16 19.788 1.569 -15.471 1.00 13.30 H new ATOM 0 HD3 ARG A 16 18.432 2.649 -15.728 1.00 13.30 H new ATOM 0 HE ARG A 16 20.644 4.200 -14.791 1.00 14.22 H new ATOM 0 HH11 ARG A 16 19.598 2.318 -17.589 1.00 41.52 H new ATOM 0 HH12 ARG A 16 20.553 3.269 -18.730 1.00 41.52 H new ATOM 0 HH21 ARG A 16 21.868 5.417 -16.264 1.00 1.43 H new ATOM 0 HH22 ARG A 16 21.833 5.016 -17.984 1.00 1.43 H new ATOM 289 N LEU A 17 14.778 2.045 -11.835 1.00 35.44 N ATOM 290 CA LEU A 17 13.622 2.628 -11.162 1.00 31.22 C ATOM 291 C LEU A 17 13.376 1.952 -9.817 1.00 23.52 C ATOM 292 O LEU A 17 12.788 2.543 -8.913 1.00 1.45 O ATOM 293 CB LEU A 17 12.378 2.504 -12.043 1.00 33.42 C ATOM 294 CG LEU A 17 11.704 3.817 -12.442 1.00 31.02 C ATOM 295 CD1 LEU A 17 11.290 4.602 -11.206 1.00 62.54 C ATOM 296 CD2 LEU A 17 12.631 4.647 -13.318 1.00 11.45 C ATOM 0 H LEU A 17 14.545 1.412 -12.600 1.00 35.44 H new ATOM 0 HA LEU A 17 13.830 3.683 -10.984 1.00 31.22 H new ATOM 0 HB2 LEU A 17 12.653 1.969 -12.952 1.00 33.42 H new ATOM 0 HB3 LEU A 17 11.647 1.888 -11.520 1.00 33.42 H new ATOM 0 HG LEU A 17 10.807 3.583 -13.016 1.00 31.02 H new ATOM 0 HD11 LEU A 17 10.812 5.533 -11.510 1.00 62.54 H new ATOM 0 HD12 LEU A 17 10.590 4.010 -10.617 1.00 62.54 H new ATOM 0 HD13 LEU A 17 12.171 4.826 -10.605 1.00 62.54 H new ATOM 0 HD21 LEU A 17 12.135 5.578 -13.593 1.00 11.45 H new ATOM 0 HD22 LEU A 17 13.546 4.871 -12.769 1.00 11.45 H new ATOM 0 HD23 LEU A 17 12.877 4.087 -14.220 1.00 11.45 H new ATOM 308 N GLU A 18 13.833 0.709 -9.693 1.00 11.24 N ATOM 309 CA GLU A 18 13.663 -0.046 -8.457 1.00 63.30 C ATOM 310 C GLU A 18 14.303 0.684 -7.280 1.00 44.53 C ATOM 311 O GLU A 18 13.861 0.551 -6.140 1.00 3.43 O ATOM 312 CB GLU A 18 14.275 -1.442 -8.598 1.00 53.15 C ATOM 313 CG GLU A 18 13.334 -2.563 -8.190 1.00 11.23 C ATOM 314 CD GLU A 18 13.054 -3.532 -9.322 1.00 51.41 C ATOM 315 OE1 GLU A 18 12.496 -3.097 -10.351 1.00 63.03 O ATOM 316 OE2 GLU A 18 13.393 -4.725 -9.178 1.00 62.05 O ATOM 0 H GLU A 18 14.323 0.205 -10.432 1.00 11.24 H new ATOM 0 HA GLU A 18 12.594 -0.142 -8.265 1.00 63.30 H new ATOM 0 HB2 GLU A 18 14.579 -1.593 -9.634 1.00 53.15 H new ATOM 0 HB3 GLU A 18 15.178 -1.497 -7.989 1.00 53.15 H new ATOM 0 HG2 GLU A 18 13.766 -3.107 -7.350 1.00 11.23 H new ATOM 0 HG3 GLU A 18 12.394 -2.135 -7.843 1.00 11.23 H new ATOM 323 N GLU A 19 15.347 1.456 -7.567 1.00 64.23 N ATOM 324 CA GLU A 19 16.049 2.206 -6.533 1.00 2.44 C ATOM 325 C GLU A 19 15.291 3.482 -6.177 1.00 41.22 C ATOM 326 O GLU A 19 15.332 3.945 -5.036 1.00 61.14 O ATOM 327 CB GLU A 19 17.466 2.554 -6.995 1.00 74.25 C ATOM 328 CG GLU A 19 18.218 3.455 -6.030 1.00 74.41 C ATOM 329 CD GLU A 19 18.389 4.865 -6.561 1.00 72.30 C ATOM 330 OE1 GLU A 19 17.418 5.407 -7.129 1.00 1.53 O ATOM 331 OE2 GLU A 19 19.494 5.425 -6.408 1.00 43.31 O ATOM 0 H GLU A 19 15.725 1.578 -8.507 1.00 64.23 H new ATOM 0 HA GLU A 19 16.109 1.579 -5.644 1.00 2.44 H new ATOM 0 HB2 GLU A 19 18.031 1.632 -7.133 1.00 74.25 H new ATOM 0 HB3 GLU A 19 17.412 3.043 -7.968 1.00 74.25 H new ATOM 0 HG2 GLU A 19 17.684 3.491 -5.081 1.00 74.41 H new ATOM 0 HG3 GLU A 19 19.199 3.026 -5.827 1.00 74.41 H new ATOM 338 N LEU A 20 14.600 4.046 -7.162 1.00 3.33 N ATOM 339 CA LEU A 20 13.833 5.269 -6.954 1.00 54.44 C ATOM 340 C LEU A 20 12.771 5.070 -5.878 1.00 12.03 C ATOM 341 O LEU A 20 12.464 5.989 -5.117 1.00 60.42 O ATOM 342 CB LEU A 20 13.173 5.708 -8.263 1.00 14.43 C ATOM 343 CG LEU A 20 13.674 7.024 -8.859 1.00 42.10 C ATOM 344 CD1 LEU A 20 14.692 6.759 -9.957 1.00 62.42 C ATOM 345 CD2 LEU A 20 12.510 7.845 -9.395 1.00 62.44 C ATOM 0 H LEU A 20 14.555 3.676 -8.112 1.00 3.33 H new ATOM 0 HA LEU A 20 14.520 6.047 -6.620 1.00 54.44 H new ATOM 0 HB2 LEU A 20 13.317 4.920 -9.002 1.00 14.43 H new ATOM 0 HB3 LEU A 20 12.100 5.794 -8.094 1.00 14.43 H new ATOM 0 HG LEU A 20 14.162 7.596 -8.069 1.00 42.10 H new ATOM 0 HD11 LEU A 20 15.037 7.707 -10.369 1.00 62.42 H new ATOM 0 HD12 LEU A 20 15.540 6.213 -9.543 1.00 62.42 H new ATOM 0 HD13 LEU A 20 14.230 6.167 -10.747 1.00 62.42 H new ATOM 0 HD21 LEU A 20 12.886 8.778 -9.815 1.00 62.44 H new ATOM 0 HD22 LEU A 20 11.993 7.280 -10.171 1.00 62.44 H new ATOM 0 HD23 LEU A 20 11.816 8.066 -8.584 1.00 62.44 H new ATOM 357 N ILE A 21 12.215 3.865 -5.818 1.00 62.51 N ATOM 358 CA ILE A 21 11.190 3.544 -4.832 1.00 45.13 C ATOM 359 C ILE A 21 11.815 3.088 -3.518 1.00 64.43 C ATOM 360 O ILE A 21 11.260 3.315 -2.444 1.00 41.21 O ATOM 361 CB ILE A 21 10.240 2.446 -5.345 1.00 21.23 C ATOM 362 CG1 ILE A 21 9.147 2.165 -4.312 1.00 33.40 C ATOM 363 CG2 ILE A 21 11.018 1.177 -5.660 1.00 20.15 C ATOM 364 CD1 ILE A 21 8.287 3.369 -3.999 1.00 52.11 C ATOM 0 H ILE A 21 12.457 3.094 -6.441 1.00 62.51 H new ATOM 0 HA ILE A 21 10.619 4.456 -4.662 1.00 45.13 H new ATOM 0 HB ILE A 21 9.766 2.795 -6.263 1.00 21.23 H new ATOM 0 HG12 ILE A 21 8.511 1.360 -4.678 1.00 33.40 H new ATOM 0 HG13 ILE A 21 9.611 1.811 -3.391 1.00 33.40 H new ATOM 0 HG21 ILE A 21 10.333 0.410 -6.021 1.00 20.15 H new ATOM 0 HG22 ILE A 21 11.763 1.388 -6.427 1.00 20.15 H new ATOM 0 HG23 ILE A 21 11.516 0.822 -4.758 1.00 20.15 H new ATOM 0 HD11 ILE A 21 7.534 3.096 -3.260 1.00 52.11 H new ATOM 0 HD12 ILE A 21 8.912 4.169 -3.602 1.00 52.11 H new ATOM 0 HD13 ILE A 21 7.794 3.711 -4.909 1.00 52.11 H new ATOM 376 N GLU A 22 12.975 2.444 -3.613 1.00 34.32 N ATOM 377 CA GLU A 22 13.675 1.956 -2.431 1.00 4.34 C ATOM 378 C GLU A 22 13.932 3.091 -1.443 1.00 51.45 C ATOM 379 O GLU A 22 14.057 2.866 -0.239 1.00 43.55 O ATOM 380 CB GLU A 22 15.001 1.303 -2.829 1.00 55.11 C ATOM 381 CG GLU A 22 14.941 -0.214 -2.878 1.00 33.32 C ATOM 382 CD GLU A 22 14.395 -0.818 -1.598 1.00 64.11 C ATOM 383 OE1 GLU A 22 14.414 -0.125 -0.560 1.00 22.35 O ATOM 384 OE2 GLU A 22 13.950 -1.984 -1.636 1.00 75.11 O ATOM 0 H GLU A 22 13.449 2.249 -4.495 1.00 34.32 H new ATOM 0 HA GLU A 22 13.042 1.212 -1.947 1.00 4.34 H new ATOM 0 HB2 GLU A 22 15.302 1.678 -3.807 1.00 55.11 H new ATOM 0 HB3 GLU A 22 15.772 1.605 -2.121 1.00 55.11 H new ATOM 0 HG2 GLU A 22 14.316 -0.522 -3.716 1.00 33.32 H new ATOM 0 HG3 GLU A 22 15.940 -0.608 -3.064 1.00 33.32 H new ATOM 391 N LYS A 23 14.009 4.312 -1.962 1.00 43.31 N ATOM 392 CA LYS A 23 14.250 5.484 -1.129 1.00 0.33 C ATOM 393 C LYS A 23 13.096 5.707 -0.157 1.00 13.31 C ATOM 394 O LYS A 23 13.310 6.027 1.012 1.00 61.32 O ATOM 395 CB LYS A 23 14.442 6.726 -2.002 1.00 63.03 C ATOM 396 CG LYS A 23 15.861 7.267 -1.986 1.00 45.14 C ATOM 397 CD LYS A 23 16.618 6.885 -3.247 1.00 62.23 C ATOM 398 CE LYS A 23 16.480 7.950 -4.325 1.00 22.34 C ATOM 399 NZ LYS A 23 17.805 8.381 -4.851 1.00 73.34 N ATOM 0 H LYS A 23 13.908 4.515 -2.956 1.00 43.31 H new ATOM 0 HA LYS A 23 15.159 5.308 -0.553 1.00 0.33 H new ATOM 0 HB2 LYS A 23 14.166 6.485 -3.028 1.00 63.03 H new ATOM 0 HB3 LYS A 23 13.761 7.507 -1.664 1.00 63.03 H new ATOM 0 HG2 LYS A 23 15.836 8.352 -1.890 1.00 45.14 H new ATOM 0 HG3 LYS A 23 16.388 6.882 -1.113 1.00 45.14 H new ATOM 0 HD2 LYS A 23 17.672 6.740 -3.010 1.00 62.23 H new ATOM 0 HD3 LYS A 23 16.242 5.934 -3.624 1.00 62.23 H new ATOM 0 HE2 LYS A 23 15.873 7.562 -5.143 1.00 22.34 H new ATOM 0 HE3 LYS A 23 15.953 8.813 -3.918 1.00 22.34 H new ATOM 0 HZ1 LYS A 23 17.668 9.107 -5.583 1.00 73.34 H new ATOM 0 HZ2 LYS A 23 18.375 8.774 -4.075 1.00 73.34 H new ATOM 0 HZ3 LYS A 23 18.298 7.563 -5.262 1.00 73.34 H new ATOM 413 N GLU A 24 11.873 5.535 -0.648 1.00 55.24 N ATOM 414 CA GLU A 24 10.685 5.717 0.178 1.00 2.43 C ATOM 415 C GLU A 24 10.484 4.527 1.112 1.00 61.04 C ATOM 416 O GLU A 24 9.867 4.651 2.169 1.00 55.23 O ATOM 417 CB GLU A 24 9.448 5.904 -0.702 1.00 14.32 C ATOM 418 CG GLU A 24 8.622 7.128 -0.340 1.00 24.21 C ATOM 419 CD GLU A 24 7.213 6.774 0.093 1.00 21.43 C ATOM 420 OE1 GLU A 24 7.009 6.515 1.298 1.00 42.23 O ATOM 421 OE2 GLU A 24 6.314 6.755 -0.773 1.00 52.32 O ATOM 0 H GLU A 24 11.679 5.270 -1.614 1.00 55.24 H new ATOM 0 HA GLU A 24 10.829 6.612 0.784 1.00 2.43 H new ATOM 0 HB2 GLU A 24 9.762 5.983 -1.743 1.00 14.32 H new ATOM 0 HB3 GLU A 24 8.820 5.016 -0.625 1.00 14.32 H new ATOM 0 HG2 GLU A 24 9.119 7.672 0.463 1.00 24.21 H new ATOM 0 HG3 GLU A 24 8.577 7.798 -1.199 1.00 24.21 H new ATOM 428 N MET A 25 11.010 3.374 0.712 1.00 73.34 N ATOM 429 CA MET A 25 10.889 2.161 1.512 1.00 33.31 C ATOM 430 C MET A 25 11.728 2.261 2.782 1.00 40.32 C ATOM 431 O MET A 25 12.808 2.852 2.777 1.00 73.11 O ATOM 432 CB MET A 25 11.321 0.941 0.696 1.00 34.45 C ATOM 433 CG MET A 25 10.460 0.695 -0.532 1.00 51.21 C ATOM 434 SD MET A 25 8.749 0.309 -0.115 1.00 54.04 S ATOM 435 CE MET A 25 8.939 -1.305 0.636 1.00 23.44 C ATOM 0 H MET A 25 11.524 3.254 -0.161 1.00 73.34 H new ATOM 0 HA MET A 25 9.843 2.047 1.797 1.00 33.31 H new ATOM 0 HB2 MET A 25 12.357 1.072 0.383 1.00 34.45 H new ATOM 0 HB3 MET A 25 11.290 0.058 1.334 1.00 34.45 H new ATOM 0 HG2 MET A 25 10.484 1.578 -1.170 1.00 51.21 H new ATOM 0 HG3 MET A 25 10.884 -0.127 -1.109 1.00 51.21 H new ATOM 0 HE1 MET A 25 8.530 -2.066 -0.029 1.00 23.44 H new ATOM 0 HE2 MET A 25 9.997 -1.504 0.808 1.00 23.44 H new ATOM 0 HE3 MET A 25 8.406 -1.329 1.586 1.00 23.44 H new ATOM 445 N GLN A 26 11.224 1.681 3.866 1.00 2.34 N ATOM 446 CA GLN A 26 11.928 1.707 5.143 1.00 44.40 C ATOM 447 C GLN A 26 13.249 0.950 5.052 1.00 72.41 C ATOM 448 O GLN A 26 13.467 0.141 4.150 1.00 64.32 O ATOM 449 CB GLN A 26 11.055 1.103 6.244 1.00 52.32 C ATOM 450 CG GLN A 26 10.479 2.136 7.199 1.00 2.22 C ATOM 451 CD GLN A 26 9.112 2.630 6.770 1.00 53.11 C ATOM 452 OE1 GLN A 26 8.983 3.706 6.184 1.00 20.43 O ATOM 453 NE2 GLN A 26 8.081 1.845 7.059 1.00 33.15 N ATOM 0 H GLN A 26 10.331 1.188 3.886 1.00 2.34 H new ATOM 0 HA GLN A 26 12.142 2.747 5.389 1.00 44.40 H new ATOM 0 HB2 GLN A 26 10.236 0.549 5.784 1.00 52.32 H new ATOM 0 HB3 GLN A 26 11.646 0.385 6.812 1.00 52.32 H new ATOM 0 HG2 GLN A 26 10.408 1.703 8.197 1.00 2.22 H new ATOM 0 HG3 GLN A 26 11.162 2.983 7.267 1.00 2.22 H new ATOM 0 HE21 GLN A 26 8.233 0.962 7.546 1.00 33.15 H new ATOM 0 HE22 GLN A 26 7.137 2.125 6.794 1.00 33.15 H new ATOM 462 N PRO A 27 14.152 1.216 6.007 1.00 34.15 N ATOM 463 CA PRO A 27 15.466 0.569 6.057 1.00 42.11 C ATOM 464 C PRO A 27 15.372 -0.909 6.421 1.00 52.40 C ATOM 465 O PRO A 27 16.369 -1.628 6.397 1.00 23.11 O ATOM 466 CB PRO A 27 16.202 1.344 7.153 1.00 12.00 C ATOM 467 CG PRO A 27 15.121 1.886 8.024 1.00 44.01 C ATOM 468 CD PRO A 27 13.958 2.169 7.114 1.00 64.45 C ATOM 0 HA PRO A 27 15.968 0.591 5.090 1.00 42.11 H new ATOM 0 HB2 PRO A 27 16.874 0.695 7.714 1.00 12.00 H new ATOM 0 HB3 PRO A 27 16.810 2.145 6.732 1.00 12.00 H new ATOM 0 HG2 PRO A 27 14.846 1.168 8.797 1.00 44.01 H new ATOM 0 HG3 PRO A 27 15.448 2.793 8.533 1.00 44.01 H new ATOM 0 HD2 PRO A 27 13.005 2.010 7.619 1.00 64.45 H new ATOM 0 HD3 PRO A 27 13.965 3.201 6.762 1.00 64.45 H new ATOM 476 N ASN A 28 14.166 -1.355 6.757 1.00 12.44 N ATOM 477 CA ASN A 28 13.942 -2.748 7.127 1.00 53.44 C ATOM 478 C ASN A 28 12.558 -3.212 6.683 1.00 61.35 C ATOM 479 O ASN A 28 11.907 -3.999 7.369 1.00 0.44 O ATOM 480 CB ASN A 28 14.091 -2.926 8.639 1.00 60.42 C ATOM 481 CG ASN A 28 14.815 -4.209 9.001 1.00 43.33 C ATOM 482 OD1 ASN A 28 14.752 -5.198 8.270 1.00 5.41 O ATOM 483 ND2 ASN A 28 15.508 -4.197 10.134 1.00 72.43 N ATOM 0 H ASN A 28 13.329 -0.772 6.781 1.00 12.44 H new ATOM 0 HA ASN A 28 14.690 -3.358 6.621 1.00 53.44 H new ATOM 0 HB2 ASN A 28 14.636 -2.076 9.050 1.00 60.42 H new ATOM 0 HB3 ASN A 28 13.104 -2.926 9.101 1.00 60.42 H new ATOM 0 HD21 ASN A 28 16.016 -5.030 10.430 1.00 72.43 H new ATOM 0 HD22 ASN A 28 15.532 -3.354 10.708 1.00 72.43 H new ATOM 490 N GLU A 29 12.116 -2.720 5.529 1.00 24.32 N ATOM 491 CA GLU A 29 10.810 -3.085 4.994 1.00 61.31 C ATOM 492 C GLU A 29 10.954 -4.039 3.811 1.00 12.40 C ATOM 493 O GLU A 29 12.045 -4.211 3.267 1.00 32.24 O ATOM 494 CB GLU A 29 10.042 -1.833 4.564 1.00 65.51 C ATOM 495 CG GLU A 29 8.812 -1.553 5.410 1.00 72.51 C ATOM 496 CD GLU A 29 7.607 -2.365 4.974 1.00 24.34 C ATOM 497 OE1 GLU A 29 7.666 -3.609 5.069 1.00 72.34 O ATOM 498 OE2 GLU A 29 6.607 -1.757 4.539 1.00 23.43 O ATOM 0 H GLU A 29 12.643 -2.068 4.948 1.00 24.32 H new ATOM 0 HA GLU A 29 10.252 -3.592 5.781 1.00 61.31 H new ATOM 0 HB2 GLU A 29 10.710 -0.973 4.613 1.00 65.51 H new ATOM 0 HB3 GLU A 29 9.739 -1.943 3.523 1.00 65.51 H new ATOM 0 HG2 GLU A 29 9.036 -1.773 6.454 1.00 72.51 H new ATOM 0 HG3 GLU A 29 8.570 -0.492 5.353 1.00 72.51 H new ATOM 505 N VAL A 30 9.844 -4.656 3.418 1.00 62.01 N ATOM 506 CA VAL A 30 9.845 -5.592 2.300 1.00 41.44 C ATOM 507 C VAL A 30 9.340 -4.925 1.025 1.00 41.00 C ATOM 508 O VAL A 30 8.403 -4.129 1.058 1.00 14.55 O ATOM 509 CB VAL A 30 8.974 -6.826 2.600 1.00 64.11 C ATOM 510 CG1 VAL A 30 8.152 -7.210 1.379 1.00 1.51 C ATOM 511 CG2 VAL A 30 9.841 -7.990 3.057 1.00 74.24 C ATOM 0 H VAL A 30 8.933 -4.524 3.857 1.00 62.01 H new ATOM 0 HA VAL A 30 10.877 -5.912 2.156 1.00 41.44 H new ATOM 0 HB VAL A 30 8.285 -6.576 3.407 1.00 64.11 H new ATOM 0 HG11 VAL A 30 7.543 -8.084 1.610 1.00 1.51 H new ATOM 0 HG12 VAL A 30 7.503 -6.379 1.101 1.00 1.51 H new ATOM 0 HG13 VAL A 30 8.820 -7.442 0.549 1.00 1.51 H new ATOM 0 HG21 VAL A 30 9.210 -8.854 3.265 1.00 74.24 H new ATOM 0 HG22 VAL A 30 10.555 -8.242 2.273 1.00 74.24 H new ATOM 0 HG23 VAL A 30 10.380 -7.709 3.961 1.00 74.24 H new ATOM 521 N ALA A 31 9.968 -5.257 -0.098 1.00 51.34 N ATOM 522 CA ALA A 31 9.581 -4.692 -1.385 1.00 73.22 C ATOM 523 C ALA A 31 9.437 -5.782 -2.442 1.00 32.11 C ATOM 524 O ALA A 31 10.411 -6.443 -2.802 1.00 25.12 O ATOM 525 CB ALA A 31 10.597 -3.652 -1.832 1.00 53.44 C ATOM 0 H ALA A 31 10.747 -5.914 -0.143 1.00 51.34 H new ATOM 0 HA ALA A 31 8.612 -4.208 -1.265 1.00 73.22 H new ATOM 0 HB1 ALA A 31 10.295 -3.239 -2.794 1.00 53.44 H new ATOM 0 HB2 ALA A 31 10.648 -2.852 -1.093 1.00 53.44 H new ATOM 0 HB3 ALA A 31 11.577 -4.119 -1.929 1.00 53.44 H new ATOM 531 N ILE A 32 8.216 -5.965 -2.934 1.00 44.25 N ATOM 532 CA ILE A 32 7.946 -6.975 -3.950 1.00 43.32 C ATOM 533 C ILE A 32 8.007 -6.375 -5.351 1.00 74.31 C ATOM 534 O ILE A 32 7.135 -5.599 -5.744 1.00 5.02 O ATOM 535 CB ILE A 32 6.567 -7.628 -3.742 1.00 50.52 C ATOM 536 CG1 ILE A 32 6.529 -8.377 -2.409 1.00 0.12 C ATOM 537 CG2 ILE A 32 6.247 -8.569 -4.894 1.00 43.52 C ATOM 538 CD1 ILE A 32 5.281 -8.106 -1.599 1.00 34.12 C ATOM 0 H ILE A 32 7.399 -5.427 -2.646 1.00 44.25 H new ATOM 0 HA ILE A 32 8.718 -7.738 -3.850 1.00 43.32 H new ATOM 0 HB ILE A 32 5.810 -6.844 -3.718 1.00 50.52 H new ATOM 0 HG12 ILE A 32 6.603 -9.447 -2.601 1.00 0.12 H new ATOM 0 HG13 ILE A 32 7.403 -8.098 -1.820 1.00 0.12 H new ATOM 0 HG21 ILE A 32 5.269 -9.023 -4.732 1.00 43.52 H new ATOM 0 HG22 ILE A 32 6.237 -8.009 -5.829 1.00 43.52 H new ATOM 0 HG23 ILE A 32 7.005 -9.350 -4.947 1.00 43.52 H new ATOM 0 HD11 ILE A 32 5.322 -8.670 -0.667 1.00 34.12 H new ATOM 0 HD12 ILE A 32 5.216 -7.041 -1.376 1.00 34.12 H new ATOM 0 HD13 ILE A 32 4.404 -8.411 -2.169 1.00 34.12 H new ATOM 550 N PHE A 33 9.040 -6.742 -6.102 1.00 31.33 N ATOM 551 CA PHE A 33 9.214 -6.242 -7.460 1.00 50.33 C ATOM 552 C PHE A 33 8.847 -7.311 -8.485 1.00 62.11 C ATOM 553 O PHE A 33 9.503 -8.348 -8.578 1.00 24.05 O ATOM 554 CB PHE A 33 10.658 -5.785 -7.677 1.00 62.32 C ATOM 555 CG PHE A 33 11.165 -4.868 -6.601 1.00 23.50 C ATOM 556 CD1 PHE A 33 10.342 -3.897 -6.056 1.00 13.23 C ATOM 557 CD2 PHE A 33 12.465 -4.979 -6.134 1.00 41.32 C ATOM 558 CE1 PHE A 33 10.806 -3.051 -5.066 1.00 21.42 C ATOM 559 CE2 PHE A 33 12.935 -4.136 -5.144 1.00 60.32 C ATOM 560 CZ PHE A 33 12.104 -3.172 -4.609 1.00 31.14 C ATOM 0 H PHE A 33 9.769 -7.384 -5.793 1.00 31.33 H new ATOM 0 HA PHE A 33 8.547 -5.391 -7.595 1.00 50.33 H new ATOM 0 HB2 PHE A 33 11.304 -6.661 -7.730 1.00 62.32 H new ATOM 0 HB3 PHE A 33 10.729 -5.278 -8.639 1.00 62.32 H new ATOM 0 HD1 PHE A 33 9.326 -3.799 -6.408 1.00 13.23 H new ATOM 0 HD2 PHE A 33 13.118 -5.733 -6.548 1.00 41.32 H new ATOM 0 HE1 PHE A 33 10.155 -2.296 -4.650 1.00 21.42 H new ATOM 0 HE2 PHE A 33 13.951 -4.231 -4.790 1.00 60.32 H new ATOM 0 HZ PHE A 33 12.468 -2.513 -3.834 1.00 31.14 H new ATOM 570 N MET A 34 7.794 -7.050 -9.252 1.00 72.33 N ATOM 571 CA MET A 34 7.340 -7.990 -10.271 1.00 54.20 C ATOM 572 C MET A 34 8.068 -7.755 -11.591 1.00 13.34 C ATOM 573 O MET A 34 8.120 -6.631 -12.091 1.00 12.23 O ATOM 574 CB MET A 34 5.829 -7.860 -10.478 1.00 44.32 C ATOM 575 CG MET A 34 5.128 -9.191 -10.691 1.00 63.45 C ATOM 576 SD MET A 34 3.346 -9.085 -10.443 1.00 74.51 S ATOM 577 CE MET A 34 3.272 -8.609 -8.718 1.00 73.11 C ATOM 0 H MET A 34 7.239 -6.196 -9.188 1.00 72.33 H new ATOM 0 HA MET A 34 7.567 -8.999 -9.926 1.00 54.20 H new ATOM 0 HB2 MET A 34 5.393 -7.364 -9.611 1.00 44.32 H new ATOM 0 HB3 MET A 34 5.642 -7.219 -11.339 1.00 44.32 H new ATOM 0 HG2 MET A 34 5.330 -9.546 -11.702 1.00 63.45 H new ATOM 0 HG3 MET A 34 5.543 -9.930 -10.005 1.00 63.45 H new ATOM 0 HE1 MET A 34 2.886 -9.440 -8.127 1.00 73.11 H new ATOM 0 HE2 MET A 34 4.271 -8.349 -8.369 1.00 73.11 H new ATOM 0 HE3 MET A 34 2.613 -7.748 -8.606 1.00 73.11 H new ATOM 587 N PHE A 35 8.629 -8.822 -12.150 1.00 0.42 N ATOM 588 CA PHE A 35 9.355 -8.731 -13.411 1.00 4.30 C ATOM 589 C PHE A 35 8.845 -9.767 -14.408 1.00 41.55 C ATOM 590 O PHE A 35 8.785 -10.958 -14.105 1.00 52.53 O ATOM 591 CB PHE A 35 10.854 -8.928 -13.176 1.00 5.21 C ATOM 592 CG PHE A 35 11.213 -10.313 -12.719 1.00 75.10 C ATOM 593 CD1 PHE A 35 10.934 -10.724 -11.426 1.00 33.14 C ATOM 594 CD2 PHE A 35 11.829 -11.204 -13.583 1.00 75.20 C ATOM 595 CE1 PHE A 35 11.262 -11.998 -11.002 1.00 74.30 C ATOM 596 CE2 PHE A 35 12.158 -12.480 -13.165 1.00 43.33 C ATOM 597 CZ PHE A 35 11.876 -12.877 -11.873 1.00 14.21 C ATOM 0 H PHE A 35 8.595 -9.760 -11.750 1.00 0.42 H new ATOM 0 HA PHE A 35 9.187 -7.738 -13.828 1.00 4.30 H new ATOM 0 HB2 PHE A 35 11.390 -8.708 -14.099 1.00 5.21 H new ATOM 0 HB3 PHE A 35 11.194 -8.209 -12.431 1.00 5.21 H new ATOM 0 HD1 PHE A 35 10.454 -10.041 -10.741 1.00 33.14 H new ATOM 0 HD2 PHE A 35 12.055 -10.898 -14.594 1.00 75.20 H new ATOM 0 HE1 PHE A 35 11.039 -12.306 -9.991 1.00 74.30 H new ATOM 0 HE2 PHE A 35 12.635 -13.166 -13.849 1.00 43.33 H new ATOM 0 HZ PHE A 35 12.135 -13.873 -11.544 1.00 14.21 H new ATOM 607 N GLU A 36 8.479 -9.302 -15.599 1.00 74.41 N ATOM 608 CA GLU A 36 7.972 -10.188 -16.641 1.00 30.44 C ATOM 609 C GLU A 36 9.039 -10.447 -17.701 1.00 34.42 C ATOM 610 O GLU A 36 8.911 -11.361 -18.516 1.00 54.11 O ATOM 611 CB GLU A 36 6.726 -9.586 -17.292 1.00 54.31 C ATOM 612 CG GLU A 36 7.006 -8.324 -18.092 1.00 21.44 C ATOM 613 CD GLU A 36 7.194 -8.601 -19.571 1.00 0.14 C ATOM 614 OE1 GLU A 36 6.331 -9.284 -20.160 1.00 73.50 O ATOM 615 OE2 GLU A 36 8.204 -8.135 -20.138 1.00 54.44 O ATOM 0 H GLU A 36 8.524 -8.319 -15.866 1.00 74.41 H new ATOM 0 HA GLU A 36 7.707 -11.138 -16.177 1.00 30.44 H new ATOM 0 HB2 GLU A 36 6.274 -10.330 -17.949 1.00 54.31 H new ATOM 0 HB3 GLU A 36 5.995 -9.359 -16.516 1.00 54.31 H new ATOM 0 HG2 GLU A 36 6.181 -7.624 -17.959 1.00 21.44 H new ATOM 0 HG3 GLU A 36 7.901 -7.841 -17.700 1.00 21.44 H new ATOM 688 N ASN A 42 19.195 -9.029 -13.796 1.00 14.53 N ATOM 689 CA ASN A 42 19.051 -7.608 -13.497 1.00 34.42 C ATOM 690 C ASN A 42 18.292 -7.402 -12.189 1.00 51.24 C ATOM 691 O ASN A 42 18.465 -6.387 -11.513 1.00 70.33 O ATOM 692 CB ASN A 42 18.323 -6.897 -14.639 1.00 44.44 C ATOM 693 CG ASN A 42 19.278 -6.183 -15.577 1.00 3.23 C ATOM 694 OD1 ASN A 42 19.871 -5.164 -15.220 1.00 33.31 O ATOM 695 ND2 ASN A 42 19.432 -6.716 -16.783 1.00 55.23 N ATOM 0 HA ASN A 42 20.048 -7.182 -13.389 1.00 34.42 H new ATOM 0 HB2 ASN A 42 17.740 -7.625 -15.203 1.00 44.44 H new ATOM 0 HB3 ASN A 42 17.618 -6.176 -14.224 1.00 44.44 H new ATOM 0 HD21 ASN A 42 20.062 -6.280 -17.457 1.00 55.23 H new ATOM 0 HD22 ASN A 42 18.920 -7.561 -17.036 1.00 55.23 H new ATOM 702 N ILE A 43 17.452 -8.370 -11.840 1.00 23.43 N ATOM 703 CA ILE A 43 16.669 -8.296 -10.613 1.00 12.52 C ATOM 704 C ILE A 43 17.556 -7.987 -9.412 1.00 3.42 C ATOM 705 O ILE A 43 17.353 -7.008 -8.693 1.00 54.34 O ATOM 706 CB ILE A 43 15.907 -9.608 -10.350 1.00 64.21 C ATOM 707 CG1 ILE A 43 14.544 -9.580 -11.045 1.00 24.53 C ATOM 708 CG2 ILE A 43 15.741 -9.834 -8.855 1.00 24.03 C ATOM 709 CD1 ILE A 43 13.605 -8.533 -10.490 1.00 34.24 C ATOM 0 H ILE A 43 17.296 -9.215 -12.390 1.00 23.43 H new ATOM 0 HA ILE A 43 15.949 -7.489 -10.747 1.00 12.52 H new ATOM 0 HB ILE A 43 16.486 -10.435 -10.760 1.00 64.21 H new ATOM 0 HG12 ILE A 43 14.692 -9.397 -12.109 1.00 24.53 H new ATOM 0 HG13 ILE A 43 14.078 -10.561 -10.952 1.00 24.53 H new ATOM 0 HG21 ILE A 43 15.201 -10.765 -8.686 1.00 24.03 H new ATOM 0 HG22 ILE A 43 16.723 -9.893 -8.385 1.00 24.03 H new ATOM 0 HG23 ILE A 43 15.181 -9.005 -8.422 1.00 24.03 H new ATOM 0 HD11 ILE A 43 12.659 -8.570 -11.030 1.00 34.24 H new ATOM 0 HD12 ILE A 43 13.428 -8.727 -9.432 1.00 34.24 H new ATOM 0 HD13 ILE A 43 14.051 -7.545 -10.607 1.00 34.24 H new ATOM 721 N PRO A 44 18.567 -8.840 -9.188 1.00 50.50 N ATOM 722 CA PRO A 44 19.508 -8.677 -8.076 1.00 21.42 C ATOM 723 C PRO A 44 20.432 -7.480 -8.268 1.00 51.41 C ATOM 724 O PRO A 44 21.069 -7.016 -7.322 1.00 43.44 O ATOM 725 CB PRO A 44 20.311 -9.981 -8.097 1.00 54.34 C ATOM 726 CG PRO A 44 20.222 -10.457 -9.506 1.00 74.01 C ATOM 727 CD PRO A 44 18.869 -10.028 -10.004 1.00 2.42 C ATOM 0 HA PRO A 44 18.995 -8.491 -7.133 1.00 21.42 H new ATOM 0 HB2 PRO A 44 21.346 -9.813 -7.800 1.00 54.34 H new ATOM 0 HB3 PRO A 44 19.896 -10.713 -7.405 1.00 54.34 H new ATOM 0 HG2 PRO A 44 21.017 -10.025 -10.115 1.00 74.01 H new ATOM 0 HG3 PRO A 44 20.332 -11.540 -9.560 1.00 74.01 H new ATOM 0 HD2 PRO A 44 18.889 -9.791 -11.068 1.00 2.42 H new ATOM 0 HD3 PRO A 44 18.123 -10.811 -9.866 1.00 2.42 H new ATOM 735 N LYS A 45 20.500 -6.982 -9.498 1.00 71.23 N ATOM 736 CA LYS A 45 21.344 -5.837 -9.815 1.00 45.34 C ATOM 737 C LYS A 45 20.723 -4.543 -9.299 1.00 51.02 C ATOM 738 O LYS A 45 21.431 -3.598 -8.952 1.00 64.04 O ATOM 739 CB LYS A 45 21.564 -5.742 -11.327 1.00 1.10 C ATOM 740 CG LYS A 45 22.932 -5.205 -11.710 1.00 64.32 C ATOM 741 CD LYS A 45 22.822 -4.002 -12.632 1.00 35.41 C ATOM 742 CE LYS A 45 24.117 -3.761 -13.391 1.00 40.24 C ATOM 743 NZ LYS A 45 24.079 -4.356 -14.756 1.00 24.32 N ATOM 0 H LYS A 45 19.980 -7.354 -10.292 1.00 71.23 H new ATOM 0 HA LYS A 45 22.306 -5.979 -9.322 1.00 45.34 H new ATOM 0 HB2 LYS A 45 21.435 -6.731 -11.767 1.00 1.10 H new ATOM 0 HB3 LYS A 45 20.797 -5.099 -11.758 1.00 1.10 H new ATOM 0 HG2 LYS A 45 23.479 -4.925 -10.810 1.00 64.32 H new ATOM 0 HG3 LYS A 45 23.507 -5.990 -12.202 1.00 64.32 H new ATOM 0 HD2 LYS A 45 22.008 -4.158 -13.340 1.00 35.41 H new ATOM 0 HD3 LYS A 45 22.571 -3.116 -12.048 1.00 35.41 H new ATOM 0 HE2 LYS A 45 24.299 -2.689 -13.467 1.00 40.24 H new ATOM 0 HE3 LYS A 45 24.950 -4.187 -12.832 1.00 40.24 H new ATOM 0 HZ1 LYS A 45 24.980 -4.170 -15.241 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 23.930 -5.383 -14.683 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 23.300 -3.931 -15.298 1.00 24.32 H new ATOM 757 N SER A 46 19.395 -4.508 -9.250 1.00 20.22 N ATOM 758 CA SER A 46 18.678 -3.329 -8.778 1.00 23.31 C ATOM 759 C SER A 46 18.853 -3.154 -7.272 1.00 52.14 C ATOM 760 O SER A 46 19.273 -2.096 -6.804 1.00 75.12 O ATOM 761 CB SER A 46 17.191 -3.439 -9.121 1.00 64.01 C ATOM 762 OG SER A 46 16.978 -4.363 -10.174 1.00 32.32 O ATOM 0 H SER A 46 18.794 -5.283 -9.531 1.00 20.22 H new ATOM 0 HA SER A 46 19.095 -2.455 -9.279 1.00 23.31 H new ATOM 0 HB2 SER A 46 16.633 -3.753 -8.239 1.00 64.01 H new ATOM 0 HB3 SER A 46 16.807 -2.460 -9.409 1.00 64.01 H new ATOM 0 HG SER A 46 16.020 -4.417 -10.373 1.00 32.32 H new ATOM 768 N ALA A 47 18.527 -4.200 -6.520 1.00 1.44 N ATOM 769 CA ALA A 47 18.649 -4.163 -5.068 1.00 22.24 C ATOM 770 C ALA A 47 20.074 -3.823 -4.645 1.00 2.21 C ATOM 771 O ALA A 47 20.297 -3.276 -3.565 1.00 54.13 O ATOM 772 CB ALA A 47 18.223 -5.495 -4.469 1.00 32.34 C ATOM 0 H ALA A 47 18.177 -5.083 -6.892 1.00 1.44 H new ATOM 0 HA ALA A 47 17.990 -3.380 -4.693 1.00 22.24 H new ATOM 0 HB1 ALA A 47 18.319 -5.453 -3.384 1.00 32.34 H new ATOM 0 HB2 ALA A 47 17.185 -5.698 -4.734 1.00 32.34 H new ATOM 0 HB3 ALA A 47 18.859 -6.290 -4.859 1.00 32.34 H new ATOM 778 N GLU A 48 21.035 -4.151 -5.503 1.00 4.24 N ATOM 779 CA GLU A 48 22.439 -3.880 -5.216 1.00 23.43 C ATOM 780 C GLU A 48 22.750 -2.394 -5.369 1.00 74.23 C ATOM 781 O GLU A 48 23.588 -1.846 -4.654 1.00 25.54 O ATOM 782 CB GLU A 48 23.339 -4.699 -6.144 1.00 24.15 C ATOM 783 CG GLU A 48 24.796 -4.723 -5.713 1.00 22.44 C ATOM 784 CD GLU A 48 25.749 -4.460 -6.862 1.00 62.55 C ATOM 785 OE1 GLU A 48 25.908 -5.356 -7.718 1.00 43.54 O ATOM 786 OE2 GLU A 48 26.336 -3.359 -6.906 1.00 13.30 O ATOM 0 H GLU A 48 20.867 -4.604 -6.401 1.00 4.24 H new ATOM 0 HA GLU A 48 22.634 -4.169 -4.183 1.00 23.43 H new ATOM 0 HB2 GLU A 48 22.965 -5.722 -6.189 1.00 24.15 H new ATOM 0 HB3 GLU A 48 23.274 -4.291 -7.153 1.00 24.15 H new ATOM 0 HG2 GLU A 48 24.954 -3.974 -4.937 1.00 22.44 H new ATOM 0 HG3 GLU A 48 25.024 -5.693 -5.271 1.00 22.44 H new ATOM 793 N PHE A 49 22.067 -1.747 -6.308 1.00 62.33 N ATOM 794 CA PHE A 49 22.270 -0.325 -6.558 1.00 2.00 C ATOM 795 C PHE A 49 22.159 0.476 -5.264 1.00 24.43 C ATOM 796 O PHE A 49 22.803 1.514 -5.107 1.00 34.12 O ATOM 797 CB PHE A 49 21.249 0.187 -7.576 1.00 61.43 C ATOM 798 CG PHE A 49 21.863 0.980 -8.694 1.00 62.32 C ATOM 799 CD1 PHE A 49 22.208 2.309 -8.510 1.00 53.21 C ATOM 800 CD2 PHE A 49 22.096 0.396 -9.929 1.00 23.11 C ATOM 801 CE1 PHE A 49 22.772 3.041 -9.537 1.00 41.45 C ATOM 802 CE2 PHE A 49 22.661 1.123 -10.960 1.00 11.11 C ATOM 803 CZ PHE A 49 23.000 2.447 -10.763 1.00 41.35 C ATOM 0 H PHE A 49 21.368 -2.185 -6.908 1.00 62.33 H new ATOM 0 HA PHE A 49 23.274 -0.193 -6.962 1.00 2.00 H new ATOM 0 HB2 PHE A 49 20.710 -0.662 -7.997 1.00 61.43 H new ATOM 0 HB3 PHE A 49 20.515 0.807 -7.062 1.00 61.43 H new ATOM 0 HD1 PHE A 49 22.034 2.778 -7.553 1.00 53.21 H new ATOM 0 HD2 PHE A 49 21.833 -0.639 -10.088 1.00 23.11 H new ATOM 0 HE1 PHE A 49 23.034 4.077 -9.381 1.00 41.45 H new ATOM 0 HE2 PHE A 49 22.837 0.656 -11.918 1.00 11.11 H new ATOM 0 HZ PHE A 49 23.443 3.017 -11.566 1.00 41.35 H new ATOM 813 N ILE A 50 21.339 -0.015 -4.340 1.00 43.53 N ATOM 814 CA ILE A 50 21.144 0.654 -3.060 1.00 4.21 C ATOM 815 C ILE A 50 22.408 0.591 -2.209 1.00 1.31 C ATOM 816 O ILE A 50 23.070 1.605 -1.989 1.00 23.13 O ATOM 817 CB ILE A 50 19.977 0.032 -2.272 1.00 33.02 C ATOM 818 CG1 ILE A 50 18.726 -0.050 -3.150 1.00 65.31 C ATOM 819 CG2 ILE A 50 19.695 0.841 -1.015 1.00 2.52 C ATOM 820 CD1 ILE A 50 18.126 1.300 -3.474 1.00 73.40 C ATOM 0 H ILE A 50 20.800 -0.873 -4.454 1.00 43.53 H new ATOM 0 HA ILE A 50 20.909 1.695 -3.281 1.00 4.21 H new ATOM 0 HB ILE A 50 20.257 -0.979 -1.975 1.00 33.02 H new ATOM 0 HG12 ILE A 50 18.978 -0.559 -4.080 1.00 65.31 H new ATOM 0 HG13 ILE A 50 17.977 -0.660 -2.645 1.00 65.31 H new ATOM 0 HG21 ILE A 50 18.867 0.388 -0.469 1.00 2.52 H new ATOM 0 HG22 ILE A 50 20.583 0.853 -0.383 1.00 2.52 H new ATOM 0 HG23 ILE A 50 19.432 1.862 -1.291 1.00 2.52 H new ATOM 0 HD11 ILE A 50 17.243 1.165 -4.099 1.00 73.40 H new ATOM 0 HD12 ILE A 50 17.843 1.804 -2.550 1.00 73.40 H new ATOM 0 HD13 ILE A 50 18.859 1.905 -4.007 1.00 73.40 H new ATOM 832 N GLN A 51 22.737 -0.606 -1.735 1.00 33.21 N ATOM 833 CA GLN A 51 23.922 -0.801 -0.909 1.00 23.22 C ATOM 834 C GLN A 51 24.504 -2.196 -1.112 1.00 31.30 C ATOM 835 O GLN A 51 23.788 -3.195 -1.035 1.00 24.02 O ATOM 836 CB GLN A 51 23.582 -0.588 0.567 1.00 1.52 C ATOM 837 CG GLN A 51 24.644 0.188 1.330 1.00 12.11 C ATOM 838 CD GLN A 51 24.055 1.275 2.207 1.00 10.50 C ATOM 839 OE1 GLN A 51 24.363 2.456 2.042 1.00 14.43 O ATOM 840 NE2 GLN A 51 23.202 0.882 3.146 1.00 5.21 N ATOM 0 H GLN A 51 22.200 -1.455 -1.909 1.00 33.21 H new ATOM 0 HA GLN A 51 24.669 -0.068 -1.212 1.00 23.22 H new ATOM 0 HB2 GLN A 51 22.633 -0.057 0.640 1.00 1.52 H new ATOM 0 HB3 GLN A 51 23.441 -1.559 1.043 1.00 1.52 H new ATOM 0 HG2 GLN A 51 25.218 -0.502 1.949 1.00 12.11 H new ATOM 0 HG3 GLN A 51 25.341 0.636 0.621 1.00 12.11 H new ATOM 0 HE21 GLN A 51 22.975 -0.107 3.247 1.00 5.21 H new ATOM 0 HE22 GLN A 51 22.774 1.569 3.766 1.00 5.21 H new ATOM 849 N SER A 52 25.806 -2.257 -1.372 1.00 71.24 N ATOM 850 CA SER A 52 26.483 -3.530 -1.591 1.00 60.00 C ATOM 851 C SER A 52 26.150 -4.520 -0.479 1.00 64.31 C ATOM 852 O SER A 52 26.066 -5.727 -0.710 1.00 50.33 O ATOM 853 CB SER A 52 27.997 -3.320 -1.667 1.00 34.34 C ATOM 854 OG SER A 52 28.638 -4.441 -2.249 1.00 64.41 O ATOM 0 H SER A 52 26.413 -1.440 -1.436 1.00 71.24 H new ATOM 0 HA SER A 52 26.133 -3.942 -2.537 1.00 60.00 H new ATOM 0 HB2 SER A 52 28.215 -2.427 -2.254 1.00 34.34 H new ATOM 0 HB3 SER A 52 28.394 -3.149 -0.667 1.00 34.34 H new ATOM 0 HG SER A 52 29.604 -4.282 -2.288 1.00 64.41 H new ATOM 860 N LYS A 53 25.962 -4.002 0.730 1.00 43.44 N ATOM 861 CA LYS A 53 25.637 -4.837 1.879 1.00 25.53 C ATOM 862 C LYS A 53 24.369 -4.346 2.569 1.00 52.54 C ATOM 863 O LYS A 53 24.326 -3.232 3.089 1.00 55.52 O ATOM 864 CB LYS A 53 26.800 -4.846 2.874 1.00 24.41 C ATOM 865 CG LYS A 53 28.060 -5.500 2.332 1.00 74.20 C ATOM 866 CD LYS A 53 29.156 -4.478 2.083 1.00 10.15 C ATOM 867 CE LYS A 53 30.532 -5.052 2.384 1.00 60.33 C ATOM 868 NZ LYS A 53 30.759 -5.213 3.847 1.00 51.14 N ATOM 0 H LYS A 53 26.029 -3.006 0.939 1.00 43.44 H new ATOM 0 HA LYS A 53 25.464 -5.852 1.521 1.00 25.53 H new ATOM 0 HB2 LYS A 53 27.029 -3.820 3.162 1.00 24.41 H new ATOM 0 HB3 LYS A 53 26.489 -5.369 3.778 1.00 24.41 H new ATOM 0 HG2 LYS A 53 28.415 -6.250 3.039 1.00 74.20 H new ATOM 0 HG3 LYS A 53 27.830 -6.021 1.403 1.00 74.20 H new ATOM 0 HD2 LYS A 53 29.118 -4.147 1.045 1.00 10.15 H new ATOM 0 HD3 LYS A 53 28.983 -3.599 2.704 1.00 10.15 H new ATOM 0 HE2 LYS A 53 30.638 -6.019 1.892 1.00 60.33 H new ATOM 0 HE3 LYS A 53 31.297 -4.397 1.968 1.00 60.33 H new ATOM 0 HZ1 LYS A 53 31.777 -5.326 4.030 1.00 51.14 H new ATOM 0 HZ2 LYS A 53 30.408 -4.371 4.347 1.00 51.14 H new ATOM 0 HZ3 LYS A 53 30.251 -6.054 4.187 1.00 51.14 H new ATOM 882 N GLY A 54 23.337 -5.185 2.570 1.00 45.25 N ATOM 883 CA GLY A 54 22.083 -4.817 3.199 1.00 34.41 C ATOM 884 C GLY A 54 20.883 -5.423 2.498 1.00 51.12 C ATOM 885 O GLY A 54 19.982 -5.958 3.144 1.00 34.21 O ATOM 0 H GLY A 54 23.348 -6.113 2.146 1.00 45.25 H new ATOM 0 HA2 GLY A 54 22.093 -5.140 4.240 1.00 34.41 H new ATOM 0 HA3 GLY A 54 21.987 -3.731 3.204 1.00 34.41 H new ATOM 889 N HIS A 55 20.869 -5.338 1.171 1.00 4.44 N ATOM 890 CA HIS A 55 19.770 -5.881 0.381 1.00 1.15 C ATOM 891 C HIS A 55 19.824 -7.405 0.351 1.00 25.42 C ATOM 892 O HIS A 55 20.791 -7.991 -0.136 1.00 74.10 O ATOM 893 CB HIS A 55 19.817 -5.329 -1.044 1.00 14.14 C ATOM 894 CG HIS A 55 20.981 -5.829 -1.842 1.00 2.22 C ATOM 895 ND1 HIS A 55 22.282 -5.443 -1.597 1.00 43.25 N ATOM 896 CD2 HIS A 55 21.035 -6.690 -2.884 1.00 64.34 C ATOM 897 CE1 HIS A 55 23.086 -6.044 -2.456 1.00 41.14 C ATOM 898 NE2 HIS A 55 22.354 -6.807 -3.248 1.00 44.12 N ATOM 0 H HIS A 55 21.607 -4.898 0.621 1.00 4.44 H new ATOM 0 HA HIS A 55 18.834 -5.577 0.849 1.00 1.15 H new ATOM 0 HB2 HIS A 55 18.893 -5.595 -1.558 1.00 14.14 H new ATOM 0 HB3 HIS A 55 19.857 -4.241 -1.002 1.00 14.14 H new ATOM 0 HD1 HIS A 55 22.577 -4.795 -0.867 1.00 43.25 H new ATOM 0 HD2 HIS A 55 20.197 -7.192 -3.344 1.00 64.34 H new ATOM 0 HE1 HIS A 55 24.159 -5.931 -2.503 1.00 41.14 H new ATOM 906 N GLU A 56 18.781 -8.041 0.876 1.00 41.51 N ATOM 907 CA GLU A 56 18.712 -9.497 0.910 1.00 42.32 C ATOM 908 C GLU A 56 17.360 -9.989 0.402 1.00 20.43 C ATOM 909 O GLU A 56 16.315 -9.656 0.963 1.00 71.52 O ATOM 910 CB GLU A 56 18.953 -10.008 2.332 1.00 54.12 C ATOM 911 CG GLU A 56 19.957 -11.145 2.408 1.00 21.40 C ATOM 912 CD GLU A 56 19.293 -12.504 2.520 1.00 13.22 C ATOM 913 OE1 GLU A 56 18.727 -12.800 3.594 1.00 62.03 O ATOM 914 OE2 GLU A 56 19.338 -13.270 1.536 1.00 63.43 O ATOM 0 H GLU A 56 17.973 -7.571 1.283 1.00 41.51 H new ATOM 0 HA GLU A 56 19.491 -9.888 0.255 1.00 42.32 H new ATOM 0 HB2 GLU A 56 19.304 -9.182 2.951 1.00 54.12 H new ATOM 0 HB3 GLU A 56 18.005 -10.342 2.754 1.00 54.12 H new ATOM 0 HG2 GLU A 56 20.589 -11.126 1.520 1.00 21.40 H new ATOM 0 HG3 GLU A 56 20.609 -10.992 3.268 1.00 21.40 H new ATOM 921 N LEU A 57 17.388 -10.784 -0.662 1.00 40.41 N ATOM 922 CA LEU A 57 16.165 -11.323 -1.247 1.00 1.31 C ATOM 923 C LEU A 57 15.644 -12.500 -0.429 1.00 73.25 C ATOM 924 O LEU A 57 16.155 -13.616 -0.532 1.00 62.01 O ATOM 925 CB LEU A 57 16.417 -11.761 -2.691 1.00 31.14 C ATOM 926 CG LEU A 57 16.741 -10.645 -3.684 1.00 41.12 C ATOM 927 CD1 LEU A 57 15.761 -9.492 -3.530 1.00 44.01 C ATOM 928 CD2 LEU A 57 18.171 -10.161 -3.495 1.00 3.14 C ATOM 0 H LEU A 57 18.244 -11.070 -1.137 1.00 40.41 H new ATOM 0 HA LEU A 57 15.410 -10.537 -1.240 1.00 1.31 H new ATOM 0 HB2 LEU A 57 17.242 -12.474 -2.695 1.00 31.14 H new ATOM 0 HB3 LEU A 57 15.535 -12.292 -3.048 1.00 31.14 H new ATOM 0 HG LEU A 57 16.645 -11.044 -4.694 1.00 41.12 H new ATOM 0 HD11 LEU A 57 16.007 -8.707 -4.245 1.00 44.01 H new ATOM 0 HD12 LEU A 57 14.748 -9.848 -3.717 1.00 44.01 H new ATOM 0 HD13 LEU A 57 15.824 -9.093 -2.517 1.00 44.01 H new ATOM 0 HD21 LEU A 57 18.384 -9.367 -4.210 1.00 3.14 H new ATOM 0 HD22 LEU A 57 18.295 -9.779 -2.482 1.00 3.14 H new ATOM 0 HD23 LEU A 57 18.860 -10.990 -3.657 1.00 3.14 H new ATOM 940 N LEU A 58 14.622 -12.245 0.380 1.00 21.14 N ATOM 941 CA LEU A 58 14.029 -13.285 1.214 1.00 12.44 C ATOM 942 C LEU A 58 13.682 -14.517 0.385 1.00 41.33 C ATOM 943 O LEU A 58 13.918 -15.648 0.807 1.00 44.23 O ATOM 944 CB LEU A 58 12.774 -12.754 1.909 1.00 13.04 C ATOM 945 CG LEU A 58 12.850 -12.632 3.432 1.00 42.33 C ATOM 946 CD1 LEU A 58 12.911 -11.170 3.847 1.00 30.14 C ATOM 947 CD2 LEU A 58 11.662 -13.324 4.083 1.00 70.42 C ATOM 0 H LEU A 58 14.187 -11.328 0.476 1.00 21.14 H new ATOM 0 HA LEU A 58 14.761 -13.573 1.968 1.00 12.44 H new ATOM 0 HB2 LEU A 58 12.543 -11.772 1.497 1.00 13.04 H new ATOM 0 HB3 LEU A 58 11.940 -13.409 1.658 1.00 13.04 H new ATOM 0 HG LEU A 58 13.761 -13.124 3.772 1.00 42.33 H new ATOM 0 HD11 LEU A 58 12.965 -11.102 4.934 1.00 30.14 H new ATOM 0 HD12 LEU A 58 13.794 -10.704 3.410 1.00 30.14 H new ATOM 0 HD13 LEU A 58 12.018 -10.654 3.495 1.00 30.14 H new ATOM 0 HD21 LEU A 58 11.733 -13.227 5.166 1.00 70.42 H new ATOM 0 HD22 LEU A 58 10.737 -12.862 3.737 1.00 70.42 H new ATOM 0 HD23 LEU A 58 11.663 -14.380 3.813 1.00 70.42 H new ATOM 1088 N ASP A 67 5.566 -13.555 -15.434 1.00 44.24 N ATOM 1089 CA ASP A 67 6.144 -12.576 -14.521 1.00 21.04 C ATOM 1090 C ASP A 67 6.090 -13.078 -13.081 1.00 61.32 C ATOM 1091 O ASP A 67 5.037 -13.493 -12.598 1.00 30.54 O ATOM 1092 CB ASP A 67 5.406 -11.241 -14.636 1.00 63.31 C ATOM 1093 CG ASP A 67 4.040 -11.276 -13.979 1.00 45.00 C ATOM 1094 OD1 ASP A 67 3.966 -11.056 -12.752 1.00 3.23 O ATOM 1095 OD2 ASP A 67 3.046 -11.522 -14.692 1.00 74.41 O ATOM 0 HA ASP A 67 7.188 -12.430 -14.798 1.00 21.04 H new ATOM 0 HB2 ASP A 67 6.007 -10.456 -14.176 1.00 63.31 H new ATOM 0 HB3 ASP A 67 5.293 -10.981 -15.689 1.00 63.31 H new ATOM 1100 N TRP A 68 7.231 -13.038 -12.403 1.00 63.42 N ATOM 1101 CA TRP A 68 7.314 -13.491 -11.019 1.00 40.20 C ATOM 1102 C TRP A 68 7.452 -12.308 -10.067 1.00 42.11 C ATOM 1103 O TRP A 68 7.407 -11.151 -10.487 1.00 14.12 O ATOM 1104 CB TRP A 68 8.497 -14.444 -10.842 1.00 72.34 C ATOM 1105 CG TRP A 68 8.170 -15.649 -10.014 1.00 34.54 C ATOM 1106 CD1 TRP A 68 8.670 -15.956 -8.780 1.00 73.33 C ATOM 1107 CD2 TRP A 68 7.271 -16.709 -10.359 1.00 62.25 C ATOM 1108 NE1 TRP A 68 8.136 -17.143 -8.339 1.00 21.13 N ATOM 1109 CE2 TRP A 68 7.275 -17.625 -9.289 1.00 12.53 C ATOM 1110 CE3 TRP A 68 6.463 -16.973 -11.468 1.00 54.02 C ATOM 1111 CZ2 TRP A 68 6.502 -18.783 -9.297 1.00 41.24 C ATOM 1112 CZ3 TRP A 68 5.697 -18.123 -11.475 1.00 74.14 C ATOM 1113 CH2 TRP A 68 5.720 -19.016 -10.396 1.00 10.02 C ATOM 0 H TRP A 68 8.111 -12.697 -12.789 1.00 63.42 H new ATOM 0 HA TRP A 68 6.392 -14.020 -10.780 1.00 40.20 H new ATOM 0 HB2 TRP A 68 8.842 -14.769 -11.823 1.00 72.34 H new ATOM 0 HB3 TRP A 68 9.322 -13.905 -10.376 1.00 72.34 H new ATOM 0 HD1 TRP A 68 9.380 -15.355 -8.232 1.00 73.33 H new ATOM 0 HE1 TRP A 68 8.347 -17.593 -7.448 1.00 21.13 H new ATOM 0 HE3 TRP A 68 6.438 -16.290 -12.305 1.00 54.02 H new ATOM 0 HZ2 TRP A 68 6.519 -19.473 -8.466 1.00 41.24 H new ATOM 0 HZ3 TRP A 68 5.069 -18.337 -12.327 1.00 74.14 H new ATOM 0 HH2 TRP A 68 5.109 -19.906 -10.432 1.00 10.02 H new ATOM 1124 N THR A 69 7.622 -12.604 -8.782 1.00 73.21 N ATOM 1125 CA THR A 69 7.766 -11.565 -7.771 1.00 14.14 C ATOM 1126 C THR A 69 8.995 -11.809 -6.902 1.00 74.05 C ATOM 1127 O THR A 69 9.294 -12.947 -6.541 1.00 20.25 O ATOM 1128 CB THR A 69 6.521 -11.484 -6.867 1.00 73.11 C ATOM 1129 OG1 THR A 69 6.001 -12.797 -6.631 1.00 33.21 O ATOM 1130 CG2 THR A 69 5.446 -10.614 -7.502 1.00 64.45 C ATOM 0 H THR A 69 7.663 -13.556 -8.417 1.00 73.21 H new ATOM 0 HA THR A 69 7.882 -10.621 -8.303 1.00 14.14 H new ATOM 0 HB THR A 69 6.816 -11.035 -5.919 1.00 73.11 H new ATOM 0 HG1 THR A 69 5.211 -12.737 -6.054 1.00 33.21 H new ATOM 0 HG21 THR A 69 4.577 -10.572 -6.845 1.00 64.45 H new ATOM 0 HG22 THR A 69 5.835 -9.607 -7.654 1.00 64.45 H new ATOM 0 HG23 THR A 69 5.155 -11.039 -8.463 1.00 64.45 H new ATOM 1138 N ILE A 70 9.702 -10.734 -6.571 1.00 62.33 N ATOM 1139 CA ILE A 70 10.898 -10.833 -5.744 1.00 10.23 C ATOM 1140 C ILE A 70 10.793 -9.932 -4.517 1.00 65.44 C ATOM 1141 O ILE A 70 10.616 -8.720 -4.637 1.00 73.12 O ATOM 1142 CB ILE A 70 12.164 -10.457 -6.536 1.00 52.13 C ATOM 1143 CG1 ILE A 70 13.389 -10.474 -5.620 1.00 43.33 C ATOM 1144 CG2 ILE A 70 11.998 -9.090 -7.183 1.00 15.45 C ATOM 1145 CD1 ILE A 70 13.616 -11.805 -4.939 1.00 21.01 C ATOM 0 H ILE A 70 9.468 -9.785 -6.863 1.00 62.33 H new ATOM 0 HA ILE A 70 10.976 -11.872 -5.424 1.00 10.23 H new ATOM 0 HB ILE A 70 12.314 -11.194 -7.325 1.00 52.13 H new ATOM 0 HG12 ILE A 70 14.273 -10.219 -6.204 1.00 43.33 H new ATOM 0 HG13 ILE A 70 13.275 -9.701 -4.860 1.00 43.33 H new ATOM 0 HG21 ILE A 70 12.901 -8.839 -7.739 1.00 15.45 H new ATOM 0 HG22 ILE A 70 11.147 -9.110 -7.863 1.00 15.45 H new ATOM 0 HG23 ILE A 70 11.827 -8.340 -6.411 1.00 15.45 H new ATOM 0 HD11 ILE A 70 14.501 -11.743 -4.306 1.00 21.01 H new ATOM 0 HD12 ILE A 70 12.749 -12.053 -4.327 1.00 21.01 H new ATOM 0 HD13 ILE A 70 13.762 -12.579 -5.692 1.00 21.01 H new ATOM 1157 N VAL A 71 10.907 -10.533 -3.337 1.00 71.42 N ATOM 1158 CA VAL A 71 10.828 -9.786 -2.088 1.00 3.11 C ATOM 1159 C VAL A 71 12.207 -9.308 -1.646 1.00 31.45 C ATOM 1160 O VAL A 71 13.147 -10.097 -1.546 1.00 72.21 O ATOM 1161 CB VAL A 71 10.206 -10.635 -0.964 1.00 22.43 C ATOM 1162 CG1 VAL A 71 9.658 -9.743 0.139 1.00 3.14 C ATOM 1163 CG2 VAL A 71 9.116 -11.539 -1.520 1.00 65.13 C ATOM 0 H VAL A 71 11.054 -11.536 -3.220 1.00 71.42 H new ATOM 0 HA VAL A 71 10.190 -8.922 -2.275 1.00 3.11 H new ATOM 0 HB VAL A 71 10.985 -11.265 -0.535 1.00 22.43 H new ATOM 0 HG11 VAL A 71 9.223 -10.361 0.924 1.00 3.14 H new ATOM 0 HG12 VAL A 71 10.466 -9.142 0.556 1.00 3.14 H new ATOM 0 HG13 VAL A 71 8.892 -9.085 -0.272 1.00 3.14 H new ATOM 0 HG21 VAL A 71 8.688 -12.132 -0.712 1.00 65.13 H new ATOM 0 HG22 VAL A 71 8.336 -10.930 -1.976 1.00 65.13 H new ATOM 0 HG23 VAL A 71 9.543 -12.204 -2.271 1.00 65.13 H new ATOM 1173 N VAL A 72 12.321 -8.011 -1.380 1.00 53.23 N ATOM 1174 CA VAL A 72 13.584 -7.427 -0.947 1.00 25.15 C ATOM 1175 C VAL A 72 13.442 -6.757 0.416 1.00 74.44 C ATOM 1176 O VAL A 72 12.569 -5.912 0.614 1.00 2.15 O ATOM 1177 CB VAL A 72 14.103 -6.393 -1.963 1.00 42.21 C ATOM 1178 CG1 VAL A 72 15.568 -6.075 -1.702 1.00 14.13 C ATOM 1179 CG2 VAL A 72 13.904 -6.897 -3.384 1.00 50.14 C ATOM 0 H VAL A 72 11.553 -7.344 -1.457 1.00 53.23 H new ATOM 0 HA VAL A 72 14.301 -8.245 -0.874 1.00 25.15 H new ATOM 0 HB VAL A 72 13.530 -5.474 -1.844 1.00 42.21 H new ATOM 0 HG11 VAL A 72 15.917 -5.343 -2.430 1.00 14.13 H new ATOM 0 HG12 VAL A 72 15.679 -5.668 -0.697 1.00 14.13 H new ATOM 0 HG13 VAL A 72 16.160 -6.986 -1.792 1.00 14.13 H new ATOM 0 HG21 VAL A 72 14.276 -6.154 -4.089 1.00 50.14 H new ATOM 0 HG22 VAL A 72 14.450 -7.831 -3.519 1.00 50.14 H new ATOM 0 HG23 VAL A 72 12.843 -7.068 -3.564 1.00 50.14 H new ATOM 1189 N ARG A 73 14.305 -7.141 1.351 1.00 54.13 N ATOM 1190 CA ARG A 73 14.274 -6.578 2.695 1.00 4.12 C ATOM 1191 C ARG A 73 15.413 -5.581 2.893 1.00 32.41 C ATOM 1192 O ARG A 73 16.583 -5.961 2.943 1.00 41.42 O ATOM 1193 CB ARG A 73 14.370 -7.692 3.740 1.00 51.44 C ATOM 1194 CG ARG A 73 15.569 -8.606 3.547 1.00 33.10 C ATOM 1195 CD ARG A 73 16.406 -8.701 4.813 1.00 41.22 C ATOM 1196 NE ARG A 73 16.863 -10.065 5.066 1.00 42.41 N ATOM 1197 CZ ARG A 73 17.525 -10.427 6.159 1.00 1.21 C ATOM 1198 NH1 ARG A 73 17.805 -9.531 7.096 1.00 63.23 N ATOM 1199 NH2 ARG A 73 17.908 -11.688 6.317 1.00 14.54 N ATOM 0 H ARG A 73 15.034 -7.839 1.202 1.00 54.13 H new ATOM 0 HA ARG A 73 13.327 -6.052 2.820 1.00 4.12 H new ATOM 0 HB2 ARG A 73 14.421 -7.244 4.732 1.00 51.44 H new ATOM 0 HB3 ARG A 73 13.459 -8.290 3.706 1.00 51.44 H new ATOM 0 HG2 ARG A 73 15.227 -9.600 3.260 1.00 33.10 H new ATOM 0 HG3 ARG A 73 16.185 -8.232 2.729 1.00 33.10 H new ATOM 0 HD2 ARG A 73 17.268 -8.040 4.728 1.00 41.22 H new ATOM 0 HD3 ARG A 73 15.819 -8.352 5.663 1.00 41.22 H new ATOM 0 HE ARG A 73 16.663 -10.778 4.365 1.00 42.41 H new ATOM 0 HH11 ARG A 73 17.512 -8.561 6.978 1.00 63.23 H new ATOM 0 HH12 ARG A 73 18.314 -9.812 7.934 1.00 63.23 H new ATOM 0 HH21 ARG A 73 17.694 -12.380 5.599 1.00 14.54 H new ATOM 0 HH22 ARG A 73 18.416 -11.965 7.157 1.00 14.54 H new ATOM 1213 N LYS A 74 15.062 -4.305 3.005 1.00 51.31 N ATOM 1214 CA LYS A 74 16.053 -3.252 3.198 1.00 34.51 C ATOM 1215 C LYS A 74 16.910 -3.532 4.428 1.00 44.10 C ATOM 1216 O LYS A 74 16.476 -4.210 5.359 1.00 25.24 O ATOM 1217 CB LYS A 74 15.362 -1.894 3.342 1.00 25.23 C ATOM 1218 CG LYS A 74 15.207 -1.148 2.028 1.00 23.24 C ATOM 1219 CD LYS A 74 16.343 -0.163 1.809 1.00 0.10 C ATOM 1220 CE LYS A 74 16.073 1.163 2.505 1.00 62.45 C ATOM 1221 NZ LYS A 74 16.299 2.321 1.597 1.00 45.31 N ATOM 0 H LYS A 74 14.098 -3.974 2.965 1.00 51.31 H new ATOM 0 HA LYS A 74 16.701 -3.231 2.322 1.00 34.51 H new ATOM 0 HB2 LYS A 74 14.377 -2.042 3.784 1.00 25.23 H new ATOM 0 HB3 LYS A 74 15.933 -1.277 4.035 1.00 25.23 H new ATOM 0 HG2 LYS A 74 15.179 -1.862 1.205 1.00 23.24 H new ATOM 0 HG3 LYS A 74 14.256 -0.616 2.021 1.00 23.24 H new ATOM 0 HD2 LYS A 74 17.273 -0.589 2.184 1.00 0.10 H new ATOM 0 HD3 LYS A 74 16.478 0.006 0.741 1.00 0.10 H new ATOM 0 HE2 LYS A 74 15.045 1.181 2.867 1.00 62.45 H new ATOM 0 HE3 LYS A 74 16.720 1.254 3.378 1.00 62.45 H new ATOM 0 HZ1 LYS A 74 16.423 3.186 2.161 1.00 45.31 H new ATOM 0 HZ2 LYS A 74 17.153 2.154 1.027 1.00 45.31 H new ATOM 0 HZ3 LYS A 74 15.479 2.434 0.967 1.00 45.31 H new ATOM 1235 N LYS A 75 18.130 -3.004 4.426 1.00 54.13 N ATOM 1236 CA LYS A 75 19.048 -3.194 5.542 1.00 2.50 C ATOM 1237 C LYS A 75 20.369 -2.474 5.288 1.00 10.02 C ATOM 1238 O LYS A 75 20.559 -1.857 4.241 1.00 51.15 O ATOM 1239 CB LYS A 75 19.304 -4.685 5.771 1.00 14.14 C ATOM 1240 CG LYS A 75 18.906 -5.164 7.157 1.00 63.01 C ATOM 1241 CD LYS A 75 20.121 -5.563 7.979 1.00 53.25 C ATOM 1242 CE LYS A 75 20.578 -6.975 7.647 1.00 5.03 C ATOM 1243 NZ LYS A 75 20.784 -7.794 8.874 1.00 12.53 N ATOM 0 H LYS A 75 18.505 -2.441 3.663 1.00 54.13 H new ATOM 0 HA LYS A 75 18.588 -2.770 6.434 1.00 2.50 H new ATOM 0 HB2 LYS A 75 18.753 -5.258 5.025 1.00 14.14 H new ATOM 0 HB3 LYS A 75 20.363 -4.892 5.614 1.00 14.14 H new ATOM 0 HG2 LYS A 75 18.360 -4.374 7.673 1.00 63.01 H new ATOM 0 HG3 LYS A 75 18.230 -6.014 7.069 1.00 63.01 H new ATOM 0 HD2 LYS A 75 20.935 -4.862 7.792 1.00 53.25 H new ATOM 0 HD3 LYS A 75 19.882 -5.497 9.040 1.00 53.25 H new ATOM 0 HE2 LYS A 75 19.836 -7.456 7.009 1.00 5.03 H new ATOM 0 HE3 LYS A 75 21.507 -6.932 7.079 1.00 5.03 H new ATOM 0 HZ1 LYS A 75 21.095 -8.749 8.606 1.00 12.53 H new ATOM 0 HZ2 LYS A 75 21.510 -7.349 9.471 1.00 12.53 H new ATOM 0 HZ3 LYS A 75 19.891 -7.857 9.403 1.00 12.53 H new