USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=8 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 28 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0153) USER MOD Set 2.1: A 51 GLN : amide:sc= 0.849 K(o=0.92,f=-3.4!) USER MOD Set 2.2: A 52 SER OG : rot -5:sc= 0.0679 USER MOD Set 3.1: A 34 MET CE :methyl -117:sc= -3.67! (180deg=-6.99!) USER MOD Set 3.2: A 69 THR OG1 : rot 180:sc= -0.0447 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 -172:sc= -2.8 (180deg=-3.12) USER MOD Single : A 26 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.2) USER MOD Single : A 42 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.02) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 82:sc= 0.805 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-3.1) USER MOD Single : A 74 LYS NZ :NH3+ -149:sc= -0.387 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.472 -0.554 -1.188 1.00 53.10 N ATOM 19 CA LYS A 2 5.770 -1.128 -0.856 1.00 44.22 C ATOM 20 C LYS A 2 6.198 -2.149 -1.905 1.00 70.13 C ATOM 21 O LYS A 2 6.971 -3.063 -1.617 1.00 2.42 O ATOM 22 CB LYS A 2 5.722 -1.788 0.524 1.00 74.04 C ATOM 23 CG LYS A 2 4.558 -2.749 0.697 1.00 24.12 C ATOM 24 CD LYS A 2 4.573 -3.400 2.070 1.00 12.33 C ATOM 25 CE LYS A 2 3.499 -4.470 2.191 1.00 12.13 C ATOM 26 NZ LYS A 2 3.345 -4.945 3.594 1.00 31.31 N ATOM 0 HA LYS A 2 6.502 -0.321 -0.840 1.00 44.22 H new ATOM 0 HB2 LYS A 2 6.655 -2.326 0.693 1.00 74.04 H new ATOM 0 HB3 LYS A 2 5.659 -1.012 1.287 1.00 74.04 H new ATOM 0 HG2 LYS A 2 3.619 -2.214 0.557 1.00 24.12 H new ATOM 0 HG3 LYS A 2 4.603 -3.519 -0.073 1.00 24.12 H new ATOM 0 HD2 LYS A 2 5.552 -3.843 2.253 1.00 12.33 H new ATOM 0 HD3 LYS A 2 4.419 -2.640 2.836 1.00 12.33 H new ATOM 0 HE2 LYS A 2 2.548 -4.072 1.836 1.00 12.13 H new ATOM 0 HE3 LYS A 2 3.752 -5.313 1.548 1.00 12.13 H new ATOM 0 HZ1 LYS A 2 2.604 -5.673 3.635 1.00 31.31 H new ATOM 0 HZ2 LYS A 2 4.245 -5.348 3.925 1.00 31.31 H new ATOM 0 HZ3 LYS A 2 3.079 -4.146 4.204 1.00 31.31 H new ATOM 40 N ARG A 3 5.691 -1.987 -3.123 1.00 62.32 N ATOM 41 CA ARG A 3 6.021 -2.895 -4.215 1.00 23.41 C ATOM 42 C ARG A 3 6.140 -2.139 -5.535 1.00 11.44 C ATOM 43 O ARG A 3 5.693 -0.997 -5.650 1.00 24.01 O ATOM 44 CB ARG A 3 4.959 -3.989 -4.336 1.00 32.33 C ATOM 45 CG ARG A 3 3.590 -3.467 -4.741 1.00 43.04 C ATOM 46 CD ARG A 3 2.646 -3.397 -3.552 1.00 35.31 C ATOM 47 NE ARG A 3 1.270 -3.128 -3.961 1.00 14.33 N ATOM 48 CZ ARG A 3 0.450 -4.056 -4.441 1.00 64.52 C ATOM 49 NH1 ARG A 3 0.866 -5.309 -4.572 1.00 2.41 N ATOM 50 NH2 ARG A 3 -0.788 -3.733 -4.792 1.00 20.44 N ATOM 0 H ARG A 3 5.050 -1.236 -3.378 1.00 62.32 H new ATOM 0 HA ARG A 3 6.984 -3.355 -3.992 1.00 23.41 H new ATOM 0 HB2 ARG A 3 5.289 -4.725 -5.069 1.00 32.33 H new ATOM 0 HB3 ARG A 3 4.873 -4.507 -3.381 1.00 32.33 H new ATOM 0 HG2 ARG A 3 3.694 -2.476 -5.183 1.00 43.04 H new ATOM 0 HG3 ARG A 3 3.164 -4.115 -5.507 1.00 43.04 H new ATOM 0 HD2 ARG A 3 2.684 -4.338 -3.003 1.00 35.31 H new ATOM 0 HD3 ARG A 3 2.980 -2.616 -2.869 1.00 35.31 H new ATOM 0 HE ARG A 3 0.919 -2.174 -3.873 1.00 14.33 H new ATOM 0 HH11 ARG A 3 1.817 -5.561 -4.304 1.00 2.41 H new ATOM 0 HH12 ARG A 3 0.235 -6.020 -4.941 1.00 2.41 H new ATOM 0 HH21 ARG A 3 -1.111 -2.771 -4.693 1.00 20.44 H new ATOM 0 HH22 ARG A 3 -1.416 -4.447 -5.160 1.00 20.44 H new ATOM 64 N PHE A 4 6.745 -2.782 -6.527 1.00 70.14 N ATOM 65 CA PHE A 4 6.924 -2.170 -7.839 1.00 12.53 C ATOM 66 C PHE A 4 6.648 -3.177 -8.952 1.00 4.55 C ATOM 67 O PHE A 4 7.350 -4.179 -9.084 1.00 24.23 O ATOM 68 CB PHE A 4 8.343 -1.615 -7.977 1.00 23.32 C ATOM 69 CG PHE A 4 8.385 -0.163 -8.359 1.00 64.45 C ATOM 70 CD1 PHE A 4 7.636 0.772 -7.664 1.00 21.11 C ATOM 71 CD2 PHE A 4 9.174 0.266 -9.414 1.00 44.12 C ATOM 72 CE1 PHE A 4 7.672 2.108 -8.015 1.00 5.24 C ATOM 73 CE2 PHE A 4 9.215 1.601 -9.769 1.00 42.32 C ATOM 74 CZ PHE A 4 8.464 2.524 -9.068 1.00 31.33 C ATOM 0 H PHE A 4 7.120 -3.727 -6.448 1.00 70.14 H new ATOM 0 HA PHE A 4 6.211 -1.351 -7.930 1.00 12.53 H new ATOM 0 HB2 PHE A 4 8.870 -1.749 -7.033 1.00 23.32 H new ATOM 0 HB3 PHE A 4 8.880 -2.195 -8.727 1.00 23.32 H new ATOM 0 HD1 PHE A 4 7.017 0.453 -6.838 1.00 21.11 H new ATOM 0 HD2 PHE A 4 9.764 -0.451 -9.965 1.00 44.12 H new ATOM 0 HE1 PHE A 4 7.081 2.827 -7.466 1.00 5.24 H new ATOM 0 HE2 PHE A 4 9.834 1.922 -10.594 1.00 42.32 H new ATOM 0 HZ PHE A 4 8.496 3.568 -9.342 1.00 31.33 H new ATOM 84 N ASP A 5 5.622 -2.902 -9.749 1.00 12.04 N ATOM 85 CA ASP A 5 5.253 -3.783 -10.851 1.00 14.32 C ATOM 86 C ASP A 5 5.983 -3.387 -12.130 1.00 70.23 C ATOM 87 O ASP A 5 5.528 -2.517 -12.874 1.00 71.11 O ATOM 88 CB ASP A 5 3.741 -3.743 -11.079 1.00 33.32 C ATOM 89 CG ASP A 5 3.086 -5.092 -10.855 1.00 62.41 C ATOM 90 OD1 ASP A 5 3.476 -6.062 -11.539 1.00 53.04 O ATOM 91 OD2 ASP A 5 2.185 -5.179 -9.995 1.00 41.22 O ATOM 0 H ASP A 5 5.031 -2.076 -9.653 1.00 12.04 H new ATOM 0 HA ASP A 5 5.546 -4.799 -10.586 1.00 14.32 H new ATOM 0 HB2 ASP A 5 3.294 -3.010 -10.408 1.00 33.32 H new ATOM 0 HB3 ASP A 5 3.539 -3.408 -12.096 1.00 33.32 H new ATOM 96 N LEU A 6 7.118 -4.031 -12.380 1.00 50.44 N ATOM 97 CA LEU A 6 7.913 -3.746 -13.570 1.00 52.30 C ATOM 98 C LEU A 6 7.422 -4.562 -14.761 1.00 53.24 C ATOM 99 O LEU A 6 8.025 -4.537 -15.834 1.00 62.42 O ATOM 100 CB LEU A 6 9.389 -4.046 -13.305 1.00 61.41 C ATOM 101 CG LEU A 6 10.133 -3.037 -12.431 1.00 4.50 C ATOM 102 CD1 LEU A 6 9.975 -1.630 -12.987 1.00 61.03 C ATOM 103 CD2 LEU A 6 9.634 -3.103 -10.995 1.00 73.52 C ATOM 0 H LEU A 6 7.508 -4.754 -11.775 1.00 50.44 H new ATOM 0 HA LEU A 6 7.801 -2.688 -13.807 1.00 52.30 H new ATOM 0 HB2 LEU A 6 9.461 -5.027 -12.834 1.00 61.41 H new ATOM 0 HB3 LEU A 6 9.903 -4.114 -14.264 1.00 61.41 H new ATOM 0 HG LEU A 6 11.193 -3.292 -12.438 1.00 4.50 H new ATOM 0 HD11 LEU A 6 10.511 -0.925 -12.352 1.00 61.03 H new ATOM 0 HD12 LEU A 6 10.382 -1.590 -13.997 1.00 61.03 H new ATOM 0 HD13 LEU A 6 8.918 -1.365 -13.011 1.00 61.03 H new ATOM 0 HD21 LEU A 6 10.175 -2.377 -10.388 1.00 73.52 H new ATOM 0 HD22 LEU A 6 8.569 -2.875 -10.969 1.00 73.52 H new ATOM 0 HD23 LEU A 6 9.800 -4.104 -10.598 1.00 73.52 H new ATOM 115 N ARG A 7 6.322 -5.282 -14.566 1.00 0.02 N ATOM 116 CA ARG A 7 5.749 -6.105 -15.624 1.00 41.54 C ATOM 117 C ARG A 7 5.598 -5.303 -16.914 1.00 70.21 C ATOM 118 O ARG A 7 6.180 -5.630 -17.949 1.00 0.34 O ATOM 119 CB ARG A 7 4.389 -6.656 -15.192 1.00 3.14 C ATOM 120 CG ARG A 7 4.351 -8.172 -15.092 1.00 34.02 C ATOM 121 CD ARG A 7 3.245 -8.641 -14.158 1.00 44.24 C ATOM 122 NE ARG A 7 2.169 -9.314 -14.880 1.00 32.23 N ATOM 123 CZ ARG A 7 1.187 -8.671 -15.503 1.00 24.52 C ATOM 124 NH1 ARG A 7 1.147 -7.346 -15.493 1.00 64.32 N ATOM 125 NH2 ARG A 7 0.244 -9.355 -16.138 1.00 15.42 N ATOM 0 H ARG A 7 5.810 -5.312 -13.685 1.00 0.02 H new ATOM 0 HA ARG A 7 6.428 -6.937 -15.810 1.00 41.54 H new ATOM 0 HB2 ARG A 7 4.124 -6.230 -14.224 1.00 3.14 H new ATOM 0 HB3 ARG A 7 3.631 -6.328 -15.903 1.00 3.14 H new ATOM 0 HG2 ARG A 7 4.198 -8.599 -16.083 1.00 34.02 H new ATOM 0 HG3 ARG A 7 5.312 -8.538 -14.732 1.00 34.02 H new ATOM 0 HD2 ARG A 7 3.662 -9.319 -13.414 1.00 44.24 H new ATOM 0 HD3 ARG A 7 2.840 -7.786 -13.618 1.00 44.24 H new ATOM 0 HE ARG A 7 2.171 -10.334 -14.908 1.00 32.23 H new ATOM 0 HH11 ARG A 7 1.871 -6.818 -15.006 1.00 64.32 H new ATOM 0 HH12 ARG A 7 0.392 -6.855 -15.972 1.00 64.32 H new ATOM 0 HH21 ARG A 7 0.273 -10.375 -16.148 1.00 15.42 H new ATOM 0 HH22 ARG A 7 -0.510 -8.861 -16.616 1.00 15.42 H new ATOM 139 N PRO A 8 4.797 -4.229 -16.853 1.00 44.30 N ATOM 140 CA PRO A 8 4.551 -3.359 -18.007 1.00 10.43 C ATOM 141 C PRO A 8 5.781 -2.542 -18.390 1.00 74.55 C ATOM 142 O PRO A 8 5.808 -1.898 -19.440 1.00 61.30 O ATOM 143 CB PRO A 8 3.428 -2.438 -17.523 1.00 53.02 C ATOM 144 CG PRO A 8 3.567 -2.418 -16.040 1.00 55.20 C ATOM 145 CD PRO A 8 4.072 -3.780 -15.653 1.00 34.22 C ATOM 0 HA PRO A 8 4.299 -3.929 -18.901 1.00 10.43 H new ATOM 0 HB2 PRO A 8 3.528 -1.437 -17.943 1.00 53.02 H new ATOM 0 HB3 PRO A 8 2.450 -2.814 -17.824 1.00 53.02 H new ATOM 0 HG2 PRO A 8 4.262 -1.640 -15.724 1.00 55.20 H new ATOM 0 HG3 PRO A 8 2.611 -2.206 -15.561 1.00 55.20 H new ATOM 0 HD2 PRO A 8 4.726 -3.734 -14.782 1.00 34.22 H new ATOM 0 HD3 PRO A 8 3.254 -4.455 -15.402 1.00 34.22 H new ATOM 153 N LEU A 9 6.796 -2.574 -17.535 1.00 2.11 N ATOM 154 CA LEU A 9 8.030 -1.837 -17.785 1.00 22.02 C ATOM 155 C LEU A 9 8.960 -2.626 -18.701 1.00 32.30 C ATOM 156 O LEU A 9 8.832 -3.844 -18.833 1.00 45.23 O ATOM 157 CB LEU A 9 8.739 -1.527 -16.465 1.00 33.31 C ATOM 158 CG LEU A 9 8.679 -0.073 -15.996 1.00 73.11 C ATOM 159 CD1 LEU A 9 7.786 0.057 -14.771 1.00 64.44 C ATOM 160 CD2 LEU A 9 10.077 0.449 -15.697 1.00 54.15 C ATOM 0 H LEU A 9 6.790 -3.102 -16.662 1.00 2.11 H new ATOM 0 HA LEU A 9 7.771 -0.901 -18.280 1.00 22.02 H new ATOM 0 HB2 LEU A 9 8.307 -2.157 -15.687 1.00 33.31 H new ATOM 0 HB3 LEU A 9 9.786 -1.813 -16.562 1.00 33.31 H new ATOM 0 HG LEU A 9 8.251 0.530 -16.797 1.00 73.11 H new ATOM 0 HD11 LEU A 9 7.756 1.099 -14.452 1.00 64.44 H new ATOM 0 HD12 LEU A 9 6.778 -0.276 -15.018 1.00 64.44 H new ATOM 0 HD13 LEU A 9 8.184 -0.558 -13.964 1.00 64.44 H new ATOM 0 HD21 LEU A 9 10.015 1.485 -15.365 1.00 54.15 H new ATOM 0 HD22 LEU A 9 10.532 -0.157 -14.913 1.00 54.15 H new ATOM 0 HD23 LEU A 9 10.687 0.393 -16.599 1.00 54.15 H new ATOM 172 N LYS A 10 9.897 -1.925 -19.331 1.00 33.44 N ATOM 173 CA LYS A 10 10.851 -2.560 -20.232 1.00 41.31 C ATOM 174 C LYS A 10 12.173 -2.832 -19.521 1.00 51.01 C ATOM 175 O LYS A 10 12.452 -2.259 -18.469 1.00 12.44 O ATOM 176 CB LYS A 10 11.092 -1.675 -21.458 1.00 32.24 C ATOM 177 CG LYS A 10 11.950 -0.456 -21.169 1.00 2.15 C ATOM 178 CD LYS A 10 12.125 0.409 -22.406 1.00 14.15 C ATOM 179 CE LYS A 10 10.881 1.238 -22.686 1.00 14.10 C ATOM 180 NZ LYS A 10 10.337 0.979 -24.048 1.00 34.23 N ATOM 0 H LYS A 10 10.016 -0.917 -19.234 1.00 33.44 H new ATOM 0 HA LYS A 10 10.430 -3.512 -20.555 1.00 41.31 H new ATOM 0 HB2 LYS A 10 11.571 -2.269 -22.236 1.00 32.24 H new ATOM 0 HB3 LYS A 10 10.131 -1.347 -21.853 1.00 32.24 H new ATOM 0 HG2 LYS A 10 11.492 0.133 -20.374 1.00 2.15 H new ATOM 0 HG3 LYS A 10 12.927 -0.775 -20.806 1.00 2.15 H new ATOM 0 HD2 LYS A 10 12.981 1.070 -22.271 1.00 14.15 H new ATOM 0 HD3 LYS A 10 12.343 -0.224 -23.266 1.00 14.15 H new ATOM 0 HE2 LYS A 10 10.118 1.011 -21.941 1.00 14.10 H new ATOM 0 HE3 LYS A 10 11.120 2.297 -22.586 1.00 14.10 H new ATOM 0 HZ1 LYS A 10 9.490 1.563 -24.200 1.00 34.23 H new ATOM 0 HZ2 LYS A 10 11.056 1.219 -24.760 1.00 34.23 H new ATOM 0 HZ3 LYS A 10 10.085 -0.026 -24.136 1.00 34.23 H new ATOM 194 N ALA A 11 12.983 -3.709 -20.104 1.00 23.30 N ATOM 195 CA ALA A 11 14.277 -4.054 -19.528 1.00 31.43 C ATOM 196 C ALA A 11 15.256 -2.891 -19.641 1.00 64.13 C ATOM 197 O ALA A 11 15.222 -2.130 -20.608 1.00 25.54 O ATOM 198 CB ALA A 11 14.844 -5.292 -20.207 1.00 32.45 C ATOM 0 H ALA A 11 12.766 -4.194 -20.975 1.00 23.30 H new ATOM 0 HA ALA A 11 14.130 -4.269 -18.470 1.00 31.43 H new ATOM 0 HB1 ALA A 11 15.810 -5.538 -19.767 1.00 32.45 H new ATOM 0 HB2 ALA A 11 14.159 -6.129 -20.069 1.00 32.45 H new ATOM 0 HB3 ALA A 11 14.969 -5.098 -21.272 1.00 32.45 H new ATOM 204 N GLY A 12 16.129 -2.758 -18.647 1.00 32.54 N ATOM 205 CA GLY A 12 17.105 -1.685 -18.654 1.00 51.44 C ATOM 206 C GLY A 12 16.735 -0.558 -17.710 1.00 52.24 C ATOM 207 O GLY A 12 17.576 -0.072 -16.954 1.00 50.50 O ATOM 0 H GLY A 12 16.177 -3.375 -17.836 1.00 32.54 H new ATOM 0 HA2 GLY A 12 18.080 -2.083 -18.374 1.00 51.44 H new ATOM 0 HA3 GLY A 12 17.200 -1.291 -19.666 1.00 51.44 H new ATOM 211 N ILE A 13 15.474 -0.141 -17.755 1.00 40.22 N ATOM 212 CA ILE A 13 14.995 0.936 -16.898 1.00 3.34 C ATOM 213 C ILE A 13 14.259 0.385 -15.682 1.00 34.33 C ATOM 214 O ILE A 13 14.190 1.033 -14.637 1.00 74.03 O ATOM 215 CB ILE A 13 14.059 1.891 -17.662 1.00 32.51 C ATOM 216 CG1 ILE A 13 14.666 2.260 -19.017 1.00 24.22 C ATOM 217 CG2 ILE A 13 13.789 3.141 -16.838 1.00 21.31 C ATOM 218 CD1 ILE A 13 13.798 3.189 -19.836 1.00 33.24 C ATOM 0 H ILE A 13 14.766 -0.533 -18.376 1.00 40.22 H new ATOM 0 HA ILE A 13 15.874 1.490 -16.568 1.00 3.34 H new ATOM 0 HB ILE A 13 13.110 1.383 -17.836 1.00 32.51 H new ATOM 0 HG12 ILE A 13 15.636 2.731 -18.855 1.00 24.22 H new ATOM 0 HG13 ILE A 13 14.845 1.348 -19.586 1.00 24.22 H new ATOM 0 HG21 ILE A 13 13.126 3.806 -17.392 1.00 21.31 H new ATOM 0 HG22 ILE A 13 13.318 2.861 -15.896 1.00 21.31 H new ATOM 0 HG23 ILE A 13 14.730 3.653 -16.635 1.00 21.31 H new ATOM 0 HD11 ILE A 13 14.291 3.407 -20.783 1.00 33.24 H new ATOM 0 HD12 ILE A 13 12.837 2.713 -20.029 1.00 33.24 H new ATOM 0 HD13 ILE A 13 13.639 4.117 -19.287 1.00 33.24 H new ATOM 230 N PHE A 14 13.710 -0.817 -15.824 1.00 64.51 N ATOM 231 CA PHE A 14 12.979 -1.458 -14.737 1.00 41.20 C ATOM 232 C PHE A 14 13.884 -1.677 -13.528 1.00 33.10 C ATOM 233 O PHE A 14 13.418 -1.712 -12.390 1.00 15.42 O ATOM 234 CB PHE A 14 12.398 -2.795 -15.203 1.00 3.43 C ATOM 235 CG PHE A 14 13.394 -3.919 -15.185 1.00 34.41 C ATOM 236 CD1 PHE A 14 14.543 -3.857 -15.955 1.00 44.23 C ATOM 237 CD2 PHE A 14 13.179 -5.039 -14.398 1.00 70.50 C ATOM 238 CE1 PHE A 14 15.462 -4.890 -15.941 1.00 14.00 C ATOM 239 CE2 PHE A 14 14.094 -6.075 -14.379 1.00 73.43 C ATOM 240 CZ PHE A 14 15.236 -6.001 -15.153 1.00 33.14 C ATOM 0 H PHE A 14 13.758 -1.367 -16.682 1.00 64.51 H new ATOM 0 HA PHE A 14 12.163 -0.798 -14.443 1.00 41.20 H new ATOM 0 HB2 PHE A 14 11.554 -3.058 -14.565 1.00 3.43 H new ATOM 0 HB3 PHE A 14 12.009 -2.680 -16.215 1.00 3.43 H new ATOM 0 HD1 PHE A 14 14.724 -2.991 -16.574 1.00 44.23 H new ATOM 0 HD2 PHE A 14 12.287 -5.103 -13.793 1.00 70.50 H new ATOM 0 HE1 PHE A 14 16.355 -4.828 -16.545 1.00 14.00 H new ATOM 0 HE2 PHE A 14 13.916 -6.942 -13.760 1.00 73.43 H new ATOM 0 HZ PHE A 14 15.951 -6.811 -15.142 1.00 33.14 H new ATOM 250 N GLU A 15 15.180 -1.825 -13.785 1.00 74.10 N ATOM 251 CA GLU A 15 16.149 -2.043 -12.718 1.00 4.50 C ATOM 252 C GLU A 15 16.565 -0.719 -12.082 1.00 53.13 C ATOM 253 O GLU A 15 16.892 -0.663 -10.897 1.00 22.32 O ATOM 254 CB GLU A 15 17.382 -2.770 -13.259 1.00 51.02 C ATOM 255 CG GLU A 15 18.535 -2.832 -12.271 1.00 52.24 C ATOM 256 CD GLU A 15 19.694 -1.940 -12.672 1.00 24.54 C ATOM 257 OE1 GLU A 15 19.459 -0.743 -12.937 1.00 22.22 O ATOM 258 OE2 GLU A 15 20.838 -2.441 -12.719 1.00 73.11 O ATOM 0 H GLU A 15 15.582 -1.798 -14.722 1.00 74.10 H new ATOM 0 HA GLU A 15 15.677 -2.661 -11.954 1.00 4.50 H new ATOM 0 HB2 GLU A 15 17.101 -3.785 -13.540 1.00 51.02 H new ATOM 0 HB3 GLU A 15 17.719 -2.270 -14.167 1.00 51.02 H new ATOM 0 HG2 GLU A 15 18.179 -2.537 -11.284 1.00 52.24 H new ATOM 0 HG3 GLU A 15 18.884 -3.861 -12.190 1.00 52.24 H new ATOM 265 N ARG A 16 16.549 0.344 -12.880 1.00 1.35 N ATOM 266 CA ARG A 16 16.926 1.667 -12.396 1.00 54.23 C ATOM 267 C ARG A 16 15.798 2.288 -11.577 1.00 52.12 C ATOM 268 O ARG A 16 16.036 2.891 -10.530 1.00 32.02 O ATOM 269 CB ARG A 16 17.280 2.581 -13.571 1.00 31.11 C ATOM 270 CG ARG A 16 18.772 2.662 -13.851 1.00 74.01 C ATOM 271 CD ARG A 16 19.051 2.823 -15.337 1.00 44.11 C ATOM 272 NE ARG A 16 19.419 4.194 -15.679 1.00 43.43 N ATOM 273 CZ ARG A 16 19.450 4.658 -16.924 1.00 4.24 C ATOM 274 NH1 ARG A 16 19.137 3.865 -17.938 1.00 73.25 N ATOM 275 NH2 ARG A 16 19.795 5.919 -17.155 1.00 24.52 N ATOM 0 H ARG A 16 16.279 0.315 -13.863 1.00 1.35 H new ATOM 0 HA ARG A 16 17.800 1.556 -11.754 1.00 54.23 H new ATOM 0 HB2 ARG A 16 16.770 2.223 -14.465 1.00 31.11 H new ATOM 0 HB3 ARG A 16 16.902 3.583 -13.368 1.00 31.11 H new ATOM 0 HG2 ARG A 16 19.201 3.503 -13.306 1.00 74.01 H new ATOM 0 HG3 ARG A 16 19.262 1.761 -13.483 1.00 74.01 H new ATOM 0 HD2 ARG A 16 19.855 2.148 -15.630 1.00 44.11 H new ATOM 0 HD3 ARG A 16 18.168 2.532 -15.905 1.00 44.11 H new ATOM 0 HE ARG A 16 19.666 4.830 -14.921 1.00 43.43 H new ATOM 0 HH11 ARG A 16 18.871 2.896 -17.764 1.00 73.25 H new ATOM 0 HH12 ARG A 16 19.162 4.224 -18.892 1.00 73.25 H new ATOM 0 HH21 ARG A 16 20.037 6.532 -16.377 1.00 24.52 H new ATOM 0 HH22 ARG A 16 19.819 6.274 -18.111 1.00 24.52 H new ATOM 289 N LEU A 17 14.570 2.137 -12.061 1.00 50.33 N ATOM 290 CA LEU A 17 13.404 2.683 -11.375 1.00 4.52 C ATOM 291 C LEU A 17 13.170 1.970 -10.047 1.00 64.32 C ATOM 292 O LEU A 17 12.583 2.533 -9.124 1.00 73.05 O ATOM 293 CB LEU A 17 12.162 2.560 -12.259 1.00 65.42 C ATOM 294 CG LEU A 17 11.445 3.867 -12.595 1.00 52.34 C ATOM 295 CD1 LEU A 17 11.015 4.582 -11.324 1.00 0.51 C ATOM 296 CD2 LEU A 17 12.339 4.765 -13.438 1.00 70.02 C ATOM 0 H LEU A 17 14.356 1.641 -12.926 1.00 50.33 H new ATOM 0 HA LEU A 17 13.594 3.737 -11.172 1.00 4.52 H new ATOM 0 HB2 LEU A 17 12.452 2.078 -13.193 1.00 65.42 H new ATOM 0 HB3 LEU A 17 11.453 1.897 -11.764 1.00 65.42 H new ATOM 0 HG LEU A 17 10.552 3.630 -13.174 1.00 52.34 H new ATOM 0 HD11 LEU A 17 10.506 5.510 -11.583 1.00 0.51 H new ATOM 0 HD12 LEU A 17 10.337 3.943 -10.758 1.00 0.51 H new ATOM 0 HD13 LEU A 17 11.893 4.806 -10.718 1.00 0.51 H new ATOM 0 HD21 LEU A 17 11.812 5.691 -13.668 1.00 70.02 H new ATOM 0 HD22 LEU A 17 13.250 4.994 -12.885 1.00 70.02 H new ATOM 0 HD23 LEU A 17 12.596 4.254 -14.366 1.00 70.02 H new ATOM 308 N GLU A 18 13.636 0.728 -9.959 1.00 25.24 N ATOM 309 CA GLU A 18 13.479 -0.062 -8.743 1.00 14.42 C ATOM 310 C GLU A 18 14.121 0.641 -7.550 1.00 40.34 C ATOM 311 O GLU A 18 13.721 0.433 -6.406 1.00 1.05 O ATOM 312 CB GLU A 18 14.098 -1.449 -8.925 1.00 74.01 C ATOM 313 CG GLU A 18 13.232 -2.577 -8.390 1.00 32.02 C ATOM 314 CD GLU A 18 12.945 -3.638 -9.434 1.00 70.31 C ATOM 315 OE1 GLU A 18 12.490 -3.277 -10.539 1.00 52.41 O ATOM 316 OE2 GLU A 18 13.176 -4.831 -9.146 1.00 23.34 O ATOM 0 H GLU A 18 14.125 0.248 -10.714 1.00 25.24 H new ATOM 0 HA GLU A 18 12.412 -0.171 -8.547 1.00 14.42 H new ATOM 0 HB2 GLU A 18 14.285 -1.618 -9.985 1.00 74.01 H new ATOM 0 HB3 GLU A 18 15.065 -1.475 -8.422 1.00 74.01 H new ATOM 0 HG2 GLU A 18 13.729 -3.038 -7.536 1.00 32.02 H new ATOM 0 HG3 GLU A 18 12.290 -2.166 -8.027 1.00 32.02 H new ATOM 323 N GLU A 19 15.119 1.474 -7.829 1.00 63.21 N ATOM 324 CA GLU A 19 15.818 2.206 -6.779 1.00 51.14 C ATOM 325 C GLU A 19 15.064 3.480 -6.411 1.00 14.45 C ATOM 326 O GLU A 19 15.208 4.003 -5.305 1.00 3.14 O ATOM 327 CB GLU A 19 17.239 2.553 -7.228 1.00 51.42 C ATOM 328 CG GLU A 19 17.980 3.458 -6.258 1.00 32.02 C ATOM 329 CD GLU A 19 18.115 4.878 -6.772 1.00 4.13 C ATOM 330 OE1 GLU A 19 18.598 5.053 -7.910 1.00 65.32 O ATOM 331 OE2 GLU A 19 17.739 5.814 -6.036 1.00 42.42 O ATOM 0 H GLU A 19 15.461 1.659 -8.772 1.00 63.21 H new ATOM 0 HA GLU A 19 15.869 1.567 -5.898 1.00 51.14 H new ATOM 0 HB2 GLU A 19 17.806 1.631 -7.357 1.00 51.42 H new ATOM 0 HB3 GLU A 19 17.195 3.038 -8.203 1.00 51.42 H new ATOM 0 HG2 GLU A 19 17.454 3.470 -5.304 1.00 32.02 H new ATOM 0 HG3 GLU A 19 18.972 3.048 -6.070 1.00 32.02 H new ATOM 338 N LEU A 20 14.259 3.975 -7.344 1.00 51.53 N ATOM 339 CA LEU A 20 13.481 5.189 -7.119 1.00 43.11 C ATOM 340 C LEU A 20 12.473 4.989 -5.992 1.00 24.32 C ATOM 341 O LEU A 20 12.217 5.901 -5.206 1.00 2.23 O ATOM 342 CB LEU A 20 12.755 5.598 -8.401 1.00 54.15 C ATOM 343 CG LEU A 20 13.166 6.940 -9.007 1.00 41.51 C ATOM 344 CD1 LEU A 20 14.103 6.729 -10.187 1.00 13.35 C ATOM 345 CD2 LEU A 20 11.938 7.732 -9.434 1.00 23.14 C ATOM 0 H LEU A 20 14.127 3.555 -8.264 1.00 51.53 H new ATOM 0 HA LEU A 20 14.169 5.983 -6.829 1.00 43.11 H new ATOM 0 HB2 LEU A 20 12.914 4.821 -9.148 1.00 54.15 H new ATOM 0 HB3 LEU A 20 11.685 5.628 -8.195 1.00 54.15 H new ATOM 0 HG LEU A 20 13.696 7.513 -8.246 1.00 41.51 H new ATOM 0 HD11 LEU A 20 14.385 7.695 -10.605 1.00 13.35 H new ATOM 0 HD12 LEU A 20 14.998 6.204 -9.852 1.00 13.35 H new ATOM 0 HD13 LEU A 20 13.599 6.136 -10.950 1.00 13.35 H new ATOM 0 HD21 LEU A 20 12.250 8.684 -9.863 1.00 23.14 H new ATOM 0 HD22 LEU A 20 11.380 7.164 -10.178 1.00 23.14 H new ATOM 0 HD23 LEU A 20 11.304 7.915 -8.567 1.00 23.14 H new ATOM 357 N ILE A 21 11.907 3.789 -5.918 1.00 52.11 N ATOM 358 CA ILE A 21 10.930 3.468 -4.885 1.00 11.41 C ATOM 359 C ILE A 21 11.615 2.987 -3.611 1.00 4.14 C ATOM 360 O ILE A 21 11.121 3.211 -2.506 1.00 70.13 O ATOM 361 CB ILE A 21 9.940 2.389 -5.361 1.00 65.44 C ATOM 362 CG1 ILE A 21 8.809 2.219 -4.346 1.00 30.25 C ATOM 363 CG2 ILE A 21 10.663 1.068 -5.583 1.00 4.42 C ATOM 364 CD1 ILE A 21 7.961 3.460 -4.172 1.00 62.54 C ATOM 0 H ILE A 21 12.108 3.023 -6.561 1.00 52.11 H new ATOM 0 HA ILE A 21 10.381 4.386 -4.675 1.00 11.41 H new ATOM 0 HB ILE A 21 9.506 2.708 -6.309 1.00 65.44 H new ATOM 0 HG12 ILE A 21 8.170 1.394 -4.661 1.00 30.25 H new ATOM 0 HG13 ILE A 21 9.236 1.942 -3.382 1.00 30.25 H new ATOM 0 HG21 ILE A 21 9.950 0.315 -5.919 1.00 4.42 H new ATOM 0 HG22 ILE A 21 11.436 1.199 -6.340 1.00 4.42 H new ATOM 0 HG23 ILE A 21 11.121 0.742 -4.649 1.00 4.42 H new ATOM 0 HD11 ILE A 21 7.179 3.266 -3.438 1.00 62.54 H new ATOM 0 HD12 ILE A 21 8.587 4.283 -3.827 1.00 62.54 H new ATOM 0 HD13 ILE A 21 7.505 3.726 -5.126 1.00 62.54 H new ATOM 376 N GLU A 22 12.758 2.327 -3.773 1.00 34.42 N ATOM 377 CA GLU A 22 13.512 1.815 -2.634 1.00 75.24 C ATOM 378 C GLU A 22 13.828 2.932 -1.645 1.00 3.42 C ATOM 379 O GLU A 22 13.986 2.691 -0.448 1.00 5.52 O ATOM 380 CB GLU A 22 14.808 1.155 -3.108 1.00 44.31 C ATOM 381 CG GLU A 22 14.739 -0.362 -3.153 1.00 54.11 C ATOM 382 CD GLU A 22 14.231 -0.961 -1.856 1.00 75.22 C ATOM 383 OE1 GLU A 22 14.982 -0.944 -0.859 1.00 41.33 O ATOM 384 OE2 GLU A 22 13.080 -1.448 -1.839 1.00 3.33 O ATOM 0 H GLU A 22 13.182 2.135 -4.681 1.00 34.42 H new ATOM 0 HA GLU A 22 12.898 1.070 -2.129 1.00 75.24 H new ATOM 0 HB2 GLU A 22 15.053 1.529 -4.102 1.00 44.31 H new ATOM 0 HB3 GLU A 22 15.621 1.454 -2.446 1.00 44.31 H new ATOM 0 HG2 GLU A 22 14.086 -0.668 -3.971 1.00 54.11 H new ATOM 0 HG3 GLU A 22 15.730 -0.761 -3.370 1.00 54.11 H new ATOM 391 N LYS A 23 13.920 4.156 -2.154 1.00 3.45 N ATOM 392 CA LYS A 23 14.217 5.313 -1.317 1.00 24.13 C ATOM 393 C LYS A 23 13.097 5.559 -0.311 1.00 41.33 C ATOM 394 O LYS A 23 13.348 5.963 0.824 1.00 50.35 O ATOM 395 CB LYS A 23 14.421 6.557 -2.184 1.00 42.13 C ATOM 396 CG LYS A 23 15.875 6.980 -2.310 1.00 33.24 C ATOM 397 CD LYS A 23 16.219 8.091 -1.332 1.00 55.11 C ATOM 398 CE LYS A 23 17.712 8.141 -1.048 1.00 51.30 C ATOM 399 NZ LYS A 23 17.996 8.520 0.364 1.00 35.21 N ATOM 0 H LYS A 23 13.793 4.373 -3.143 1.00 3.45 H new ATOM 0 HA LYS A 23 15.136 5.106 -0.768 1.00 24.13 H new ATOM 0 HB2 LYS A 23 14.020 6.366 -3.179 1.00 42.13 H new ATOM 0 HB3 LYS A 23 13.847 7.382 -1.762 1.00 42.13 H new ATOM 0 HG2 LYS A 23 16.522 6.121 -2.129 1.00 33.24 H new ATOM 0 HG3 LYS A 23 16.070 7.317 -3.328 1.00 33.24 H new ATOM 0 HD2 LYS A 23 15.893 9.048 -1.738 1.00 55.11 H new ATOM 0 HD3 LYS A 23 15.675 7.938 -0.400 1.00 55.11 H new ATOM 0 HE2 LYS A 23 18.154 7.167 -1.259 1.00 51.30 H new ATOM 0 HE3 LYS A 23 18.185 8.858 -1.719 1.00 51.30 H new ATOM 0 HZ1 LYS A 23 19.024 8.543 0.517 1.00 35.21 H new ATOM 0 HZ2 LYS A 23 17.596 9.460 0.558 1.00 35.21 H new ATOM 0 HZ3 LYS A 23 17.566 7.822 1.004 1.00 35.21 H new ATOM 413 N GLU A 24 11.862 5.312 -0.736 1.00 31.21 N ATOM 414 CA GLU A 24 10.704 5.507 0.129 1.00 62.30 C ATOM 415 C GLU A 24 10.488 4.294 1.030 1.00 1.43 C ATOM 416 O GLU A 24 9.624 4.305 1.906 1.00 1.54 O ATOM 417 CB GLU A 24 9.450 5.762 -0.710 1.00 3.31 C ATOM 418 CG GLU A 24 8.699 7.022 -0.313 1.00 71.11 C ATOM 419 CD GLU A 24 7.217 6.776 -0.103 1.00 25.31 C ATOM 420 OE1 GLU A 24 6.873 5.820 0.623 1.00 32.41 O ATOM 421 OE2 GLU A 24 6.403 7.538 -0.664 1.00 43.01 O ATOM 0 H GLU A 24 11.638 4.977 -1.673 1.00 31.21 H new ATOM 0 HA GLU A 24 10.895 6.377 0.758 1.00 62.30 H new ATOM 0 HB2 GLU A 24 9.734 5.834 -1.760 1.00 3.31 H new ATOM 0 HB3 GLU A 24 8.781 4.906 -0.618 1.00 3.31 H new ATOM 0 HG2 GLU A 24 9.130 7.424 0.604 1.00 71.11 H new ATOM 0 HG3 GLU A 24 8.832 7.779 -1.086 1.00 71.11 H new ATOM 428 N MET A 25 11.279 3.250 0.807 1.00 5.23 N ATOM 429 CA MET A 25 11.175 2.030 1.599 1.00 5.13 C ATOM 430 C MET A 25 11.975 2.152 2.893 1.00 75.00 C ATOM 431 O MET A 25 12.990 2.846 2.942 1.00 32.30 O ATOM 432 CB MET A 25 11.670 0.829 0.792 1.00 63.33 C ATOM 433 CG MET A 25 10.849 0.556 -0.458 1.00 14.32 C ATOM 434 SD MET A 25 9.127 0.168 -0.086 1.00 44.22 S ATOM 435 CE MET A 25 9.328 -1.163 1.095 1.00 71.42 C ATOM 0 H MET A 25 11.999 3.224 0.085 1.00 5.23 H new ATOM 0 HA MET A 25 10.126 1.880 1.854 1.00 5.13 H new ATOM 0 HB2 MET A 25 12.708 0.997 0.505 1.00 63.33 H new ATOM 0 HB3 MET A 25 11.654 -0.056 1.427 1.00 63.33 H new ATOM 0 HG2 MET A 25 10.888 1.428 -1.111 1.00 14.32 H new ATOM 0 HG3 MET A 25 11.294 -0.274 -1.007 1.00 14.32 H new ATOM 0 HE1 MET A 25 8.356 -1.606 1.313 1.00 71.42 H new ATOM 0 HE2 MET A 25 9.988 -1.923 0.677 1.00 71.42 H new ATOM 0 HE3 MET A 25 9.762 -0.771 2.015 1.00 71.42 H new ATOM 445 N GLN A 26 11.509 1.474 3.937 1.00 61.21 N ATOM 446 CA GLN A 26 12.181 1.508 5.231 1.00 71.04 C ATOM 447 C GLN A 26 13.482 0.713 5.190 1.00 73.14 C ATOM 448 O GLN A 26 13.705 -0.113 4.305 1.00 61.34 O ATOM 449 CB GLN A 26 11.263 0.951 6.320 1.00 2.35 C ATOM 450 CG GLN A 26 10.692 2.019 7.239 1.00 5.53 C ATOM 451 CD GLN A 26 9.182 1.948 7.350 1.00 23.43 C ATOM 452 OE1 GLN A 26 8.478 1.864 6.344 1.00 34.40 O ATOM 453 NE2 GLN A 26 8.676 1.980 8.578 1.00 44.13 N ATOM 0 H GLN A 26 10.670 0.895 3.912 1.00 61.21 H new ATOM 0 HA GLN A 26 12.419 2.546 5.462 1.00 71.04 H new ATOM 0 HB2 GLN A 26 10.441 0.411 5.850 1.00 2.35 H new ATOM 0 HB3 GLN A 26 11.819 0.228 6.918 1.00 2.35 H new ATOM 0 HG2 GLN A 26 11.131 1.911 8.231 1.00 5.53 H new ATOM 0 HG3 GLN A 26 10.979 3.003 6.868 1.00 5.53 H new ATOM 0 HE21 GLN A 26 9.297 2.050 9.384 1.00 44.13 H new ATOM 0 HE22 GLN A 26 7.666 1.934 8.715 1.00 44.13 H new ATOM 462 N PRO A 27 14.362 0.967 6.169 1.00 21.33 N ATOM 463 CA PRO A 27 15.656 0.285 6.267 1.00 31.51 C ATOM 464 C PRO A 27 15.509 -1.185 6.646 1.00 22.21 C ATOM 465 O PRO A 27 16.488 -1.930 6.669 1.00 73.41 O ATOM 466 CB PRO A 27 16.379 1.053 7.376 1.00 41.10 C ATOM 467 CG PRO A 27 15.288 1.636 8.206 1.00 22.14 C ATOM 468 CD PRO A 27 14.162 1.939 7.257 1.00 31.32 C ATOM 0 HA PRO A 27 16.188 0.282 5.316 1.00 31.51 H new ATOM 0 HB2 PRO A 27 17.015 0.392 7.965 1.00 41.10 H new ATOM 0 HB3 PRO A 27 17.022 1.831 6.964 1.00 41.10 H new ATOM 0 HG2 PRO A 27 14.969 0.936 8.979 1.00 22.14 H new ATOM 0 HG3 PRO A 27 15.624 2.540 8.714 1.00 22.14 H new ATOM 0 HD2 PRO A 27 13.190 1.814 7.734 1.00 31.32 H new ATOM 0 HD3 PRO A 27 14.209 2.965 6.893 1.00 31.32 H new ATOM 476 N ASN A 28 14.280 -1.595 6.942 1.00 22.34 N ATOM 477 CA ASN A 28 14.006 -2.977 7.321 1.00 51.15 C ATOM 478 C ASN A 28 12.630 -3.413 6.827 1.00 71.15 C ATOM 479 O ASN A 28 11.932 -4.174 7.496 1.00 0.44 O ATOM 480 CB ASN A 28 14.089 -3.138 8.840 1.00 43.22 C ATOM 481 CG ASN A 28 14.792 -4.418 9.248 1.00 74.52 C ATOM 482 OD1 ASN A 28 16.009 -4.441 9.429 1.00 61.32 O ATOM 483 ND2 ASN A 28 14.025 -5.493 9.394 1.00 12.32 N ATOM 0 H ASN A 28 13.458 -0.991 6.927 1.00 22.34 H new ATOM 0 HA ASN A 28 14.759 -3.612 6.854 1.00 51.15 H new ATOM 0 HB2 ASN A 28 14.618 -2.285 9.265 1.00 43.22 H new ATOM 0 HB3 ASN A 28 13.083 -3.130 9.259 1.00 43.22 H new ATOM 0 HD21 ASN A 28 14.441 -6.383 9.667 1.00 12.32 H new ATOM 0 HD22 ASN A 28 13.020 -5.428 9.234 1.00 12.32 H new ATOM 490 N GLU A 29 12.248 -2.926 5.650 1.00 33.20 N ATOM 491 CA GLU A 29 10.955 -3.266 5.067 1.00 61.12 C ATOM 492 C GLU A 29 11.129 -4.153 3.837 1.00 3.31 C ATOM 493 O GLU A 29 12.229 -4.275 3.297 1.00 72.40 O ATOM 494 CB GLU A 29 10.191 -1.995 4.689 1.00 62.31 C ATOM 495 CG GLU A 29 9.017 -1.696 5.605 1.00 11.24 C ATOM 496 CD GLU A 29 7.789 -2.519 5.268 1.00 30.13 C ATOM 497 OE1 GLU A 29 7.807 -3.743 5.517 1.00 5.54 O ATOM 498 OE2 GLU A 29 6.809 -1.939 4.755 1.00 21.03 O ATOM 0 H GLU A 29 12.815 -2.296 5.082 1.00 33.20 H new ATOM 0 HA GLU A 29 10.382 -3.817 5.813 1.00 61.12 H new ATOM 0 HB2 GLU A 29 10.879 -1.149 4.706 1.00 62.31 H new ATOM 0 HB3 GLU A 29 9.828 -2.090 3.666 1.00 62.31 H new ATOM 0 HG2 GLU A 29 9.308 -1.891 6.637 1.00 11.24 H new ATOM 0 HG3 GLU A 29 8.769 -0.637 5.538 1.00 11.24 H new ATOM 505 N VAL A 30 10.036 -4.770 3.400 1.00 0.11 N ATOM 506 CA VAL A 30 10.066 -5.645 2.234 1.00 5.04 C ATOM 507 C VAL A 30 9.641 -4.898 0.975 1.00 35.24 C ATOM 508 O VAL A 30 8.796 -4.005 1.027 1.00 13.12 O ATOM 509 CB VAL A 30 9.151 -6.868 2.427 1.00 73.41 C ATOM 510 CG1 VAL A 30 7.710 -6.429 2.640 1.00 61.03 C ATOM 511 CG2 VAL A 30 9.260 -7.808 1.235 1.00 12.33 C ATOM 0 H VAL A 30 9.118 -4.680 3.836 1.00 0.11 H new ATOM 0 HA VAL A 30 11.095 -5.986 2.120 1.00 5.04 H new ATOM 0 HB VAL A 30 9.477 -7.407 3.317 1.00 73.41 H new ATOM 0 HG11 VAL A 30 7.078 -7.307 2.775 1.00 61.03 H new ATOM 0 HG12 VAL A 30 7.649 -5.799 3.527 1.00 61.03 H new ATOM 0 HG13 VAL A 30 7.369 -5.866 1.771 1.00 61.03 H new ATOM 0 HG21 VAL A 30 8.607 -8.667 1.388 1.00 12.33 H new ATOM 0 HG22 VAL A 30 8.961 -7.282 0.328 1.00 12.33 H new ATOM 0 HG23 VAL A 30 10.290 -8.149 1.134 1.00 12.33 H new ATOM 521 N ALA A 31 10.231 -5.271 -0.155 1.00 41.14 N ATOM 522 CA ALA A 31 9.911 -4.638 -1.429 1.00 21.21 C ATOM 523 C ALA A 31 9.642 -5.682 -2.508 1.00 12.41 C ATOM 524 O ALA A 31 10.551 -6.391 -2.939 1.00 43.11 O ATOM 525 CB ALA A 31 11.040 -3.713 -1.857 1.00 3.30 C ATOM 0 H ALA A 31 10.933 -6.008 -0.215 1.00 41.14 H new ATOM 0 HA ALA A 31 9.004 -4.048 -1.296 1.00 21.21 H new ATOM 0 HB1 ALA A 31 10.788 -3.247 -2.810 1.00 3.30 H new ATOM 0 HB2 ALA A 31 11.183 -2.940 -1.102 1.00 3.30 H new ATOM 0 HB3 ALA A 31 11.960 -4.288 -1.967 1.00 3.30 H new ATOM 531 N ILE A 32 8.388 -5.770 -2.939 1.00 61.01 N ATOM 532 CA ILE A 32 8.000 -6.727 -3.968 1.00 44.10 C ATOM 533 C ILE A 32 8.163 -6.131 -5.362 1.00 40.02 C ATOM 534 O ILE A 32 7.464 -5.187 -5.731 1.00 4.52 O ATOM 535 CB ILE A 32 6.543 -7.189 -3.786 1.00 74.14 C ATOM 536 CG1 ILE A 32 6.487 -8.438 -2.904 1.00 12.33 C ATOM 537 CG2 ILE A 32 5.901 -7.461 -5.139 1.00 13.33 C ATOM 538 CD1 ILE A 32 5.400 -8.387 -1.853 1.00 54.22 C ATOM 0 H ILE A 32 7.624 -5.191 -2.592 1.00 61.01 H new ATOM 0 HA ILE A 32 8.661 -7.588 -3.864 1.00 44.10 H new ATOM 0 HB ILE A 32 5.984 -6.394 -3.293 1.00 74.14 H new ATOM 0 HG12 ILE A 32 6.330 -9.312 -3.536 1.00 12.33 H new ATOM 0 HG13 ILE A 32 7.451 -8.569 -2.412 1.00 12.33 H new ATOM 0 HG21 ILE A 32 4.871 -7.787 -4.994 1.00 13.33 H new ATOM 0 HG22 ILE A 32 5.913 -6.550 -5.737 1.00 13.33 H new ATOM 0 HG23 ILE A 32 6.459 -8.241 -5.656 1.00 13.33 H new ATOM 0 HD11 ILE A 32 5.419 -9.305 -1.265 1.00 54.22 H new ATOM 0 HD12 ILE A 32 5.568 -7.532 -1.197 1.00 54.22 H new ATOM 0 HD13 ILE A 32 4.429 -8.287 -2.338 1.00 54.22 H new ATOM 550 N PHE A 33 9.089 -6.690 -6.134 1.00 74.35 N ATOM 551 CA PHE A 33 9.343 -6.215 -7.489 1.00 51.05 C ATOM 552 C PHE A 33 8.999 -7.290 -8.516 1.00 42.04 C ATOM 553 O PHE A 33 9.748 -8.249 -8.701 1.00 30.02 O ATOM 554 CB PHE A 33 10.808 -5.799 -7.640 1.00 73.34 C ATOM 555 CG PHE A 33 11.233 -4.739 -6.666 1.00 3.42 C ATOM 556 CD1 PHE A 33 10.375 -3.704 -6.329 1.00 30.44 C ATOM 557 CD2 PHE A 33 12.491 -4.776 -6.086 1.00 62.13 C ATOM 558 CE1 PHE A 33 10.765 -2.727 -5.433 1.00 15.13 C ATOM 559 CE2 PHE A 33 12.886 -3.801 -5.189 1.00 62.53 C ATOM 560 CZ PHE A 33 12.021 -2.776 -4.861 1.00 61.14 C ATOM 0 H PHE A 33 9.676 -7.472 -5.844 1.00 74.35 H new ATOM 0 HA PHE A 33 8.706 -5.349 -7.669 1.00 51.05 H new ATOM 0 HB2 PHE A 33 11.442 -6.676 -7.510 1.00 73.34 H new ATOM 0 HB3 PHE A 33 10.972 -5.436 -8.655 1.00 73.34 H new ATOM 0 HD1 PHE A 33 9.391 -3.661 -6.772 1.00 30.44 H new ATOM 0 HD2 PHE A 33 13.171 -5.576 -6.338 1.00 62.13 H new ATOM 0 HE1 PHE A 33 10.087 -1.925 -5.180 1.00 15.13 H new ATOM 0 HE2 PHE A 33 13.870 -3.841 -4.745 1.00 62.53 H new ATOM 0 HZ PHE A 33 12.326 -2.014 -4.159 1.00 61.14 H new ATOM 570 N MET A 34 7.861 -7.122 -9.182 1.00 31.15 N ATOM 571 CA MET A 34 7.418 -8.077 -10.190 1.00 73.33 C ATOM 572 C MET A 34 8.125 -7.832 -11.520 1.00 14.55 C ATOM 573 O MET A 34 8.195 -6.698 -11.996 1.00 25.50 O ATOM 574 CB MET A 34 5.902 -7.985 -10.380 1.00 45.34 C ATOM 575 CG MET A 34 5.114 -8.847 -9.408 1.00 2.23 C ATOM 576 SD MET A 34 4.058 -10.046 -10.242 1.00 34.42 S ATOM 577 CE MET A 34 5.238 -10.837 -11.332 1.00 63.21 C ATOM 0 H MET A 34 7.229 -6.333 -9.041 1.00 31.15 H new ATOM 0 HA MET A 34 7.673 -9.078 -9.842 1.00 73.33 H new ATOM 0 HB2 MET A 34 5.592 -6.946 -10.265 1.00 45.34 H new ATOM 0 HB3 MET A 34 5.653 -8.281 -11.399 1.00 45.34 H new ATOM 0 HG2 MET A 34 5.807 -9.373 -8.751 1.00 2.23 H new ATOM 0 HG3 MET A 34 4.500 -8.206 -8.775 1.00 2.23 H new ATOM 0 HE1 MET A 34 4.953 -10.657 -12.369 1.00 63.21 H new ATOM 0 HE2 MET A 34 6.232 -10.426 -11.152 1.00 63.21 H new ATOM 0 HE3 MET A 34 5.249 -11.910 -11.140 1.00 63.21 H new ATOM 587 N PHE A 35 8.647 -8.900 -12.113 1.00 55.44 N ATOM 588 CA PHE A 35 9.349 -8.799 -13.387 1.00 61.13 C ATOM 589 C PHE A 35 8.810 -9.818 -14.388 1.00 1.54 C ATOM 590 O PHE A 35 8.614 -10.986 -14.054 1.00 45.25 O ATOM 591 CB PHE A 35 10.851 -9.013 -13.184 1.00 54.50 C ATOM 592 CG PHE A 35 11.203 -10.402 -12.735 1.00 42.21 C ATOM 593 CD1 PHE A 35 10.968 -10.803 -11.430 1.00 71.11 C ATOM 594 CD2 PHE A 35 11.771 -11.306 -13.618 1.00 75.33 C ATOM 595 CE1 PHE A 35 11.291 -12.081 -11.014 1.00 31.02 C ATOM 596 CE2 PHE A 35 12.095 -12.586 -13.208 1.00 1.51 C ATOM 597 CZ PHE A 35 11.856 -12.973 -11.904 1.00 2.02 C ATOM 0 H PHE A 35 8.597 -9.845 -11.732 1.00 55.44 H new ATOM 0 HA PHE A 35 9.182 -7.799 -13.787 1.00 61.13 H new ATOM 0 HB2 PHE A 35 11.370 -8.799 -14.118 1.00 54.50 H new ATOM 0 HB3 PHE A 35 11.215 -8.298 -12.446 1.00 54.50 H new ATOM 0 HD1 PHE A 35 10.527 -10.109 -10.730 1.00 71.11 H new ATOM 0 HD2 PHE A 35 11.963 -11.007 -14.638 1.00 75.33 H new ATOM 0 HE1 PHE A 35 11.102 -12.382 -9.994 1.00 31.02 H new ATOM 0 HE2 PHE A 35 12.535 -13.282 -13.907 1.00 1.51 H new ATOM 0 HZ PHE A 35 12.111 -13.972 -11.581 1.00 2.02 H new ATOM 607 N GLU A 36 8.572 -9.364 -15.614 1.00 71.34 N ATOM 608 CA GLU A 36 8.054 -10.236 -16.663 1.00 1.52 C ATOM 609 C GLU A 36 8.991 -10.255 -17.867 1.00 5.43 C ATOM 610 O GLU A 36 8.779 -11.002 -18.821 1.00 60.34 O ATOM 611 CB GLU A 36 6.660 -9.777 -17.095 1.00 52.14 C ATOM 612 CG GLU A 36 6.662 -8.468 -17.866 1.00 53.44 C ATOM 613 CD GLU A 36 6.846 -8.669 -19.358 1.00 24.21 C ATOM 614 OE1 GLU A 36 6.062 -9.435 -19.955 1.00 55.44 O ATOM 615 OE2 GLU A 36 7.777 -8.061 -19.927 1.00 55.54 O ATOM 0 H GLU A 36 8.729 -8.399 -15.906 1.00 71.34 H new ATOM 0 HA GLU A 36 7.988 -11.247 -16.260 1.00 1.52 H new ATOM 0 HB2 GLU A 36 6.207 -10.552 -17.713 1.00 52.14 H new ATOM 0 HB3 GLU A 36 6.033 -9.667 -16.210 1.00 52.14 H new ATOM 0 HG2 GLU A 36 5.723 -7.944 -17.687 1.00 53.44 H new ATOM 0 HG3 GLU A 36 7.461 -7.829 -17.488 1.00 53.44 H new ATOM 688 N ASN A 42 19.004 -8.985 -13.862 1.00 62.41 N ATOM 689 CA ASN A 42 19.071 -7.588 -13.449 1.00 33.33 C ATOM 690 C ASN A 42 18.334 -7.376 -12.130 1.00 12.51 C ATOM 691 O ASN A 42 18.626 -6.437 -11.388 1.00 42.14 O ATOM 692 CB ASN A 42 18.474 -6.686 -14.531 1.00 1.24 C ATOM 693 CG ASN A 42 19.534 -5.900 -15.277 1.00 44.24 C ATOM 694 OD1 ASN A 42 20.538 -6.457 -15.723 1.00 34.42 O ATOM 695 ND2 ASN A 42 19.316 -4.597 -15.417 1.00 65.43 N ATOM 0 HA ASN A 42 20.119 -7.326 -13.305 1.00 33.33 H new ATOM 0 HB2 ASN A 42 17.912 -7.295 -15.239 1.00 1.24 H new ATOM 0 HB3 ASN A 42 17.767 -5.994 -14.074 1.00 1.24 H new ATOM 0 HD21 ASN A 42 19.994 -4.017 -15.910 1.00 65.43 H new ATOM 0 HD22 ASN A 42 18.470 -4.177 -15.031 1.00 65.43 H new ATOM 702 N ILE A 43 17.378 -8.253 -11.844 1.00 60.33 N ATOM 703 CA ILE A 43 16.601 -8.162 -10.615 1.00 32.45 C ATOM 704 C ILE A 43 17.506 -7.938 -9.408 1.00 34.33 C ATOM 705 O ILE A 43 17.360 -6.969 -8.663 1.00 11.02 O ATOM 706 CB ILE A 43 15.762 -9.433 -10.384 1.00 34.02 C ATOM 707 CG1 ILE A 43 14.408 -9.311 -11.087 1.00 63.33 C ATOM 708 CG2 ILE A 43 15.570 -9.678 -8.895 1.00 24.34 C ATOM 709 CD1 ILE A 43 13.528 -8.220 -10.519 1.00 60.04 C ATOM 0 H ILE A 43 17.123 -9.035 -12.447 1.00 60.33 H new ATOM 0 HA ILE A 43 15.931 -7.310 -10.728 1.00 32.45 H new ATOM 0 HB ILE A 43 16.296 -10.284 -10.807 1.00 34.02 H new ATOM 0 HG12 ILE A 43 14.574 -9.118 -12.147 1.00 63.33 H new ATOM 0 HG13 ILE A 43 13.883 -10.264 -11.015 1.00 63.33 H new ATOM 0 HG21 ILE A 43 14.975 -10.580 -8.748 1.00 24.34 H new ATOM 0 HG22 ILE A 43 16.542 -9.803 -8.419 1.00 24.34 H new ATOM 0 HG23 ILE A 43 15.055 -8.827 -8.450 1.00 24.34 H new ATOM 0 HD11 ILE A 43 12.585 -8.191 -11.066 1.00 60.04 H new ATOM 0 HD12 ILE A 43 13.331 -8.423 -9.466 1.00 60.04 H new ATOM 0 HD13 ILE A 43 14.032 -7.259 -10.615 1.00 60.04 H new ATOM 721 N PRO A 44 18.465 -8.855 -9.209 1.00 51.52 N ATOM 722 CA PRO A 44 19.415 -8.778 -8.095 1.00 54.31 C ATOM 723 C PRO A 44 20.407 -7.631 -8.257 1.00 72.12 C ATOM 724 O PRO A 44 21.098 -7.256 -7.310 1.00 43.12 O ATOM 725 CB PRO A 44 20.140 -10.124 -8.154 1.00 33.54 C ATOM 726 CG PRO A 44 20.022 -10.557 -9.574 1.00 41.34 C ATOM 727 CD PRO A 44 18.697 -10.036 -10.057 1.00 53.23 C ATOM 0 HA PRO A 44 18.915 -8.589 -7.145 1.00 54.31 H new ATOM 0 HB2 PRO A 44 21.184 -10.025 -7.856 1.00 33.54 H new ATOM 0 HB3 PRO A 44 19.684 -10.849 -7.480 1.00 33.54 H new ATOM 0 HG2 PRO A 44 20.840 -10.157 -10.173 1.00 41.34 H new ATOM 0 HG3 PRO A 44 20.068 -11.643 -9.656 1.00 41.34 H new ATOM 0 HD2 PRO A 44 18.730 -9.771 -11.114 1.00 53.23 H new ATOM 0 HD3 PRO A 44 17.907 -10.777 -9.939 1.00 53.23 H new ATOM 735 N LYS A 45 20.472 -7.077 -9.463 1.00 73.12 N ATOM 736 CA LYS A 45 21.378 -5.971 -9.750 1.00 30.50 C ATOM 737 C LYS A 45 20.800 -4.651 -9.251 1.00 40.12 C ATOM 738 O LYS A 45 21.539 -3.714 -8.949 1.00 52.35 O ATOM 739 CB LYS A 45 21.651 -5.886 -11.253 1.00 51.53 C ATOM 740 CG LYS A 45 23.080 -5.499 -11.591 1.00 3.52 C ATOM 741 CD LYS A 45 23.129 -4.273 -12.488 1.00 3.13 C ATOM 742 CE LYS A 45 24.471 -4.153 -13.195 1.00 13.34 C ATOM 743 NZ LYS A 45 24.432 -4.742 -14.562 1.00 0.04 N ATOM 0 H LYS A 45 19.907 -7.376 -10.258 1.00 73.12 H new ATOM 0 HA LYS A 45 22.316 -6.157 -9.227 1.00 30.50 H new ATOM 0 HB2 LYS A 45 21.427 -6.850 -11.709 1.00 51.53 H new ATOM 0 HB3 LYS A 45 20.972 -5.158 -11.696 1.00 51.53 H new ATOM 0 HG2 LYS A 45 23.631 -5.301 -10.672 1.00 3.52 H new ATOM 0 HG3 LYS A 45 23.576 -6.333 -12.086 1.00 3.52 H new ATOM 0 HD2 LYS A 45 22.331 -4.330 -13.228 1.00 3.13 H new ATOM 0 HD3 LYS A 45 22.949 -3.378 -11.893 1.00 3.13 H new ATOM 0 HE2 LYS A 45 24.755 -3.103 -13.260 1.00 13.34 H new ATOM 0 HE3 LYS A 45 25.238 -4.654 -12.605 1.00 13.34 H new ATOM 0 HZ1 LYS A 45 25.365 -4.640 -15.010 1.00 0.04 H new ATOM 0 HZ2 LYS A 45 24.186 -5.751 -14.499 1.00 0.04 H new ATOM 0 HZ3 LYS A 45 23.718 -4.247 -15.133 1.00 0.04 H new ATOM 757 N SER A 46 19.475 -4.585 -9.166 1.00 2.43 N ATOM 758 CA SER A 46 18.798 -3.378 -8.705 1.00 44.25 C ATOM 759 C SER A 46 18.986 -3.189 -7.203 1.00 45.23 C ATOM 760 O SER A 46 19.461 -2.147 -6.752 1.00 54.44 O ATOM 761 CB SER A 46 17.307 -3.445 -9.040 1.00 31.13 C ATOM 762 OG SER A 46 17.043 -4.459 -9.993 1.00 63.45 O ATOM 0 H SER A 46 18.849 -5.353 -9.410 1.00 2.43 H new ATOM 0 HA SER A 46 19.240 -2.524 -9.218 1.00 44.25 H new ATOM 0 HB2 SER A 46 16.736 -3.637 -8.132 1.00 31.13 H new ATOM 0 HB3 SER A 46 16.975 -2.482 -9.428 1.00 31.13 H new ATOM 0 HG SER A 46 16.986 -5.326 -9.541 1.00 63.45 H new ATOM 768 N ALA A 47 18.611 -4.205 -6.434 1.00 31.22 N ATOM 769 CA ALA A 47 18.740 -4.153 -4.983 1.00 35.12 C ATOM 770 C ALA A 47 20.158 -3.775 -4.571 1.00 1.33 C ATOM 771 O ALA A 47 20.368 -3.171 -3.519 1.00 52.23 O ATOM 772 CB ALA A 47 18.349 -5.490 -4.370 1.00 54.30 C ATOM 0 H ALA A 47 18.215 -5.075 -6.791 1.00 31.22 H new ATOM 0 HA ALA A 47 18.064 -3.383 -4.611 1.00 35.12 H new ATOM 0 HB1 ALA A 47 18.450 -5.437 -3.286 1.00 54.30 H new ATOM 0 HB2 ALA A 47 17.315 -5.720 -4.627 1.00 54.30 H new ATOM 0 HB3 ALA A 47 19.002 -6.273 -4.757 1.00 54.30 H new ATOM 778 N GLU A 48 21.128 -4.135 -5.406 1.00 10.45 N ATOM 779 CA GLU A 48 22.527 -3.833 -5.125 1.00 71.35 C ATOM 780 C GLU A 48 22.807 -2.343 -5.295 1.00 41.14 C ATOM 781 O GLU A 48 23.584 -1.756 -4.542 1.00 63.12 O ATOM 782 CB GLU A 48 23.441 -4.644 -6.047 1.00 54.54 C ATOM 783 CG GLU A 48 24.909 -4.572 -5.665 1.00 4.21 C ATOM 784 CD GLU A 48 25.825 -4.519 -6.873 1.00 12.54 C ATOM 785 OE1 GLU A 48 25.765 -3.518 -7.618 1.00 73.32 O ATOM 786 OE2 GLU A 48 26.601 -5.476 -7.073 1.00 34.35 O ATOM 0 H GLU A 48 20.971 -4.635 -6.281 1.00 10.45 H new ATOM 0 HA GLU A 48 22.731 -4.107 -4.090 1.00 71.35 H new ATOM 0 HB2 GLU A 48 23.122 -5.686 -6.036 1.00 54.54 H new ATOM 0 HB3 GLU A 48 23.322 -4.285 -7.069 1.00 54.54 H new ATOM 0 HG2 GLU A 48 25.077 -3.690 -5.048 1.00 4.21 H new ATOM 0 HG3 GLU A 48 25.165 -5.440 -5.057 1.00 4.21 H new ATOM 793 N PHE A 49 22.169 -1.737 -6.291 1.00 14.42 N ATOM 794 CA PHE A 49 22.349 -0.315 -6.562 1.00 24.23 C ATOM 795 C PHE A 49 22.127 0.512 -5.299 1.00 30.22 C ATOM 796 O PHE A 49 22.749 1.558 -5.112 1.00 54.20 O ATOM 797 CB PHE A 49 21.388 0.143 -7.661 1.00 21.54 C ATOM 798 CG PHE A 49 22.064 0.888 -8.776 1.00 31.11 C ATOM 799 CD1 PHE A 49 22.376 2.231 -8.640 1.00 25.14 C ATOM 800 CD2 PHE A 49 22.387 0.246 -9.960 1.00 71.42 C ATOM 801 CE1 PHE A 49 22.997 2.919 -9.665 1.00 5.14 C ATOM 802 CE2 PHE A 49 23.008 0.929 -10.989 1.00 24.43 C ATOM 803 CZ PHE A 49 23.315 2.267 -10.840 1.00 70.01 C ATOM 0 H PHE A 49 21.523 -2.208 -6.924 1.00 14.42 H new ATOM 0 HA PHE A 49 23.374 -0.162 -6.899 1.00 24.23 H new ATOM 0 HB2 PHE A 49 20.879 -0.728 -8.073 1.00 21.54 H new ATOM 0 HB3 PHE A 49 20.622 0.781 -7.220 1.00 21.54 H new ATOM 0 HD1 PHE A 49 22.131 2.746 -7.723 1.00 25.14 H new ATOM 0 HD2 PHE A 49 22.151 -0.801 -10.081 1.00 71.42 H new ATOM 0 HE1 PHE A 49 23.234 3.966 -9.547 1.00 5.14 H new ATOM 0 HE2 PHE A 49 23.253 0.417 -11.908 1.00 24.43 H new ATOM 0 HZ PHE A 49 23.803 2.803 -11.641 1.00 70.01 H new ATOM 813 N ILE A 50 21.236 0.035 -4.436 1.00 61.00 N ATOM 814 CA ILE A 50 20.932 0.729 -3.191 1.00 53.30 C ATOM 815 C ILE A 50 22.138 0.740 -2.259 1.00 3.44 C ATOM 816 O ILE A 50 22.506 1.782 -1.716 1.00 55.33 O ATOM 817 CB ILE A 50 19.740 0.081 -2.462 1.00 53.41 C ATOM 818 CG1 ILE A 50 18.547 -0.055 -3.410 1.00 72.15 C ATOM 819 CG2 ILE A 50 19.359 0.900 -1.238 1.00 0.42 C ATOM 820 CD1 ILE A 50 17.906 1.267 -3.770 1.00 2.33 C ATOM 0 H ILE A 50 20.712 -0.829 -4.576 1.00 61.00 H new ATOM 0 HA ILE A 50 20.672 1.754 -3.457 1.00 53.30 H new ATOM 0 HB ILE A 50 20.034 -0.915 -2.132 1.00 53.41 H new ATOM 0 HG12 ILE A 50 18.874 -0.551 -4.324 1.00 72.15 H new ATOM 0 HG13 ILE A 50 17.798 -0.699 -2.948 1.00 72.15 H new ATOM 0 HG21 ILE A 50 18.515 0.429 -0.734 1.00 0.42 H new ATOM 0 HG22 ILE A 50 20.207 0.951 -0.556 1.00 0.42 H new ATOM 0 HG23 ILE A 50 19.081 1.908 -1.547 1.00 0.42 H new ATOM 0 HD11 ILE A 50 17.068 1.093 -4.445 1.00 2.33 H new ATOM 0 HD12 ILE A 50 17.548 1.756 -2.864 1.00 2.33 H new ATOM 0 HD13 ILE A 50 18.640 1.906 -4.261 1.00 2.33 H new ATOM 832 N GLN A 51 22.751 -0.425 -2.079 1.00 21.21 N ATOM 833 CA GLN A 51 23.918 -0.549 -1.213 1.00 14.23 C ATOM 834 C GLN A 51 24.539 -1.937 -1.331 1.00 52.40 C ATOM 835 O GLN A 51 23.839 -2.948 -1.273 1.00 40.44 O ATOM 836 CB GLN A 51 23.531 -0.272 0.241 1.00 20.32 C ATOM 837 CG GLN A 51 24.512 0.631 0.970 1.00 2.43 C ATOM 838 CD GLN A 51 25.950 0.174 0.820 1.00 34.41 C ATOM 839 OE1 GLN A 51 26.326 -0.895 1.302 1.00 65.12 O ATOM 840 NE2 GLN A 51 26.762 0.982 0.149 1.00 54.02 N ATOM 0 H GLN A 51 22.459 -1.297 -2.521 1.00 21.21 H new ATOM 0 HA GLN A 51 24.656 0.187 -1.532 1.00 14.23 H new ATOM 0 HB2 GLN A 51 22.542 0.186 0.264 1.00 20.32 H new ATOM 0 HB3 GLN A 51 23.456 -1.219 0.775 1.00 20.32 H new ATOM 0 HG2 GLN A 51 24.416 1.648 0.588 1.00 2.43 H new ATOM 0 HG3 GLN A 51 24.253 0.662 2.028 1.00 2.43 H new ATOM 0 HE21 GLN A 51 26.407 1.859 -0.233 1.00 54.02 H new ATOM 0 HE22 GLN A 51 27.740 0.726 0.016 1.00 54.02 H new ATOM 849 N SER A 52 25.857 -1.977 -1.497 1.00 70.31 N ATOM 850 CA SER A 52 26.572 -3.241 -1.628 1.00 23.31 C ATOM 851 C SER A 52 26.198 -4.197 -0.499 1.00 1.44 C ATOM 852 O SER A 52 26.194 -5.415 -0.676 1.00 13.04 O ATOM 853 CB SER A 52 28.083 -2.999 -1.627 1.00 31.21 C ATOM 854 OG SER A 52 28.479 -2.251 -0.491 1.00 13.25 O ATOM 0 H SER A 52 26.451 -1.149 -1.544 1.00 70.31 H new ATOM 0 HA SER A 52 26.284 -3.696 -2.576 1.00 23.31 H new ATOM 0 HB2 SER A 52 28.607 -3.954 -1.638 1.00 31.21 H new ATOM 0 HB3 SER A 52 28.370 -2.467 -2.534 1.00 31.21 H new ATOM 0 HG SER A 52 27.685 -1.974 0.012 1.00 13.25 H new ATOM 860 N LYS A 53 25.884 -3.634 0.664 1.00 63.43 N ATOM 861 CA LYS A 53 25.507 -4.433 1.824 1.00 61.45 C ATOM 862 C LYS A 53 24.232 -3.894 2.464 1.00 21.42 C ATOM 863 O LYS A 53 24.190 -2.753 2.921 1.00 1.03 O ATOM 864 CB LYS A 53 26.641 -4.445 2.851 1.00 22.21 C ATOM 865 CG LYS A 53 26.832 -5.790 3.531 1.00 13.12 C ATOM 866 CD LYS A 53 28.171 -6.412 3.172 1.00 54.14 C ATOM 867 CE LYS A 53 29.209 -6.166 4.256 1.00 53.33 C ATOM 868 NZ LYS A 53 30.443 -6.969 4.035 1.00 72.22 N ATOM 0 H LYS A 53 25.883 -2.627 0.828 1.00 63.43 H new ATOM 0 HA LYS A 53 25.320 -5.453 1.487 1.00 61.45 H new ATOM 0 HB2 LYS A 53 27.570 -4.162 2.357 1.00 22.21 H new ATOM 0 HB3 LYS A 53 26.440 -3.689 3.610 1.00 22.21 H new ATOM 0 HG2 LYS A 53 26.766 -5.665 4.612 1.00 13.12 H new ATOM 0 HG3 LYS A 53 26.027 -6.464 3.239 1.00 13.12 H new ATOM 0 HD2 LYS A 53 28.047 -7.485 3.023 1.00 54.14 H new ATOM 0 HD3 LYS A 53 28.524 -5.998 2.228 1.00 54.14 H new ATOM 0 HE2 LYS A 53 29.465 -5.107 4.280 1.00 53.33 H new ATOM 0 HE3 LYS A 53 28.784 -6.414 5.229 1.00 53.33 H new ATOM 0 HZ1 LYS A 53 31.125 -6.773 4.795 1.00 72.22 H new ATOM 0 HZ2 LYS A 53 30.204 -7.981 4.037 1.00 72.22 H new ATOM 0 HZ3 LYS A 53 30.863 -6.715 3.118 1.00 72.22 H new ATOM 882 N GLY A 54 23.194 -4.725 2.495 1.00 12.51 N ATOM 883 CA GLY A 54 21.932 -4.313 3.083 1.00 25.32 C ATOM 884 C GLY A 54 20.736 -4.847 2.321 1.00 51.12 C ATOM 885 O GLY A 54 19.601 -4.758 2.791 1.00 41.44 O ATOM 0 H GLY A 54 23.204 -5.675 2.124 1.00 12.51 H new ATOM 0 HA2 GLY A 54 21.885 -4.660 4.115 1.00 25.32 H new ATOM 0 HA3 GLY A 54 21.885 -3.224 3.110 1.00 25.32 H new ATOM 889 N HIS A 55 20.988 -5.402 1.140 1.00 63.23 N ATOM 890 CA HIS A 55 19.922 -5.951 0.310 1.00 61.43 C ATOM 891 C HIS A 55 20.001 -7.474 0.261 1.00 63.31 C ATOM 892 O HIS A 55 20.988 -8.038 -0.211 1.00 73.33 O ATOM 893 CB HIS A 55 20.003 -5.379 -1.106 1.00 31.21 C ATOM 894 CG HIS A 55 21.223 -5.812 -1.858 1.00 65.21 C ATOM 895 ND1 HIS A 55 22.494 -5.374 -1.548 1.00 34.11 N ATOM 896 CD2 HIS A 55 21.363 -6.651 -2.912 1.00 2.44 C ATOM 897 CE1 HIS A 55 23.362 -5.923 -2.379 1.00 55.21 C ATOM 898 NE2 HIS A 55 22.701 -6.702 -3.216 1.00 61.23 N ATOM 0 H HIS A 55 21.921 -5.483 0.736 1.00 63.23 H new ATOM 0 HA HIS A 55 18.968 -5.668 0.754 1.00 61.43 H new ATOM 0 HB2 HIS A 55 19.116 -5.682 -1.663 1.00 31.21 H new ATOM 0 HB3 HIS A 55 19.988 -4.291 -1.051 1.00 31.21 H new ATOM 0 HD1 HIS A 55 22.727 -4.727 -0.795 1.00 34.11 H new ATOM 0 HD2 HIS A 55 20.570 -7.181 -3.419 1.00 2.44 H new ATOM 0 HE1 HIS A 55 24.430 -5.762 -2.375 1.00 55.21 H new ATOM 906 N GLU A 56 18.956 -8.133 0.753 1.00 43.43 N ATOM 907 CA GLU A 56 18.910 -9.590 0.766 1.00 52.00 C ATOM 908 C GLU A 56 17.557 -10.096 0.274 1.00 14.41 C ATOM 909 O GLU A 56 16.516 -9.788 0.858 1.00 44.34 O ATOM 910 CB GLU A 56 19.182 -10.118 2.176 1.00 61.21 C ATOM 911 CG GLU A 56 20.201 -11.245 2.218 1.00 50.44 C ATOM 912 CD GLU A 56 19.555 -12.612 2.324 1.00 33.23 C ATOM 913 OE1 GLU A 56 18.698 -12.931 1.473 1.00 64.02 O ATOM 914 OE2 GLU A 56 19.905 -13.363 3.258 1.00 35.25 O ATOM 0 H GLU A 56 18.131 -7.681 1.147 1.00 43.43 H new ATOM 0 HA GLU A 56 19.683 -9.959 0.092 1.00 52.00 H new ATOM 0 HB2 GLU A 56 19.535 -9.297 2.800 1.00 61.21 H new ATOM 0 HB3 GLU A 56 18.246 -10.469 2.610 1.00 61.21 H new ATOM 0 HG2 GLU A 56 20.816 -11.207 1.319 1.00 50.44 H new ATOM 0 HG3 GLU A 56 20.868 -11.096 3.067 1.00 50.44 H new ATOM 921 N LEU A 57 17.578 -10.873 -0.803 1.00 42.31 N ATOM 922 CA LEU A 57 16.354 -11.422 -1.375 1.00 54.42 C ATOM 923 C LEU A 57 15.854 -12.607 -0.556 1.00 72.43 C ATOM 924 O LEU A 57 16.408 -13.705 -0.632 1.00 34.15 O ATOM 925 CB LEU A 57 16.592 -11.852 -2.824 1.00 2.24 C ATOM 926 CG LEU A 57 16.826 -10.724 -3.829 1.00 53.41 C ATOM 927 CD1 LEU A 57 15.763 -9.646 -3.679 1.00 31.32 C ATOM 928 CD2 LEU A 57 18.216 -10.132 -3.653 1.00 45.31 C ATOM 0 H LEU A 57 18.430 -11.137 -1.298 1.00 42.31 H new ATOM 0 HA LEU A 57 15.592 -10.643 -1.355 1.00 54.42 H new ATOM 0 HB2 LEU A 57 17.455 -12.517 -2.847 1.00 2.24 H new ATOM 0 HB3 LEU A 57 15.732 -12.434 -3.155 1.00 2.24 H new ATOM 0 HG LEU A 57 16.754 -11.139 -4.834 1.00 53.41 H new ATOM 0 HD11 LEU A 57 15.946 -8.851 -4.402 1.00 31.32 H new ATOM 0 HD12 LEU A 57 14.778 -10.079 -3.856 1.00 31.32 H new ATOM 0 HD13 LEU A 57 15.802 -9.234 -2.670 1.00 31.32 H new ATOM 0 HD21 LEU A 57 18.365 -9.331 -4.377 1.00 45.31 H new ATOM 0 HD22 LEU A 57 18.316 -9.733 -2.644 1.00 45.31 H new ATOM 0 HD23 LEU A 57 18.965 -10.908 -3.812 1.00 45.31 H new ATOM 940 N LEU A 58 14.803 -12.380 0.224 1.00 40.11 N ATOM 941 CA LEU A 58 14.226 -13.430 1.056 1.00 60.22 C ATOM 942 C LEU A 58 13.992 -14.700 0.244 1.00 34.44 C ATOM 943 O LEU A 58 14.253 -15.806 0.715 1.00 23.42 O ATOM 944 CB LEU A 58 12.909 -12.955 1.672 1.00 41.43 C ATOM 945 CG LEU A 58 12.901 -12.787 3.192 1.00 71.04 C ATOM 946 CD1 LEU A 58 12.239 -11.474 3.580 1.00 4.03 C ATOM 947 CD2 LEU A 58 12.192 -13.960 3.854 1.00 43.25 C ATOM 0 H LEU A 58 14.333 -11.478 0.298 1.00 40.11 H new ATOM 0 HA LEU A 58 14.932 -13.656 1.855 1.00 60.22 H new ATOM 0 HB2 LEU A 58 12.643 -12.000 1.220 1.00 41.43 H new ATOM 0 HB3 LEU A 58 12.127 -13.665 1.401 1.00 41.43 H new ATOM 0 HG LEU A 58 13.933 -12.767 3.542 1.00 71.04 H new ATOM 0 HD11 LEU A 58 12.242 -11.372 4.665 1.00 4.03 H new ATOM 0 HD12 LEU A 58 12.788 -10.644 3.135 1.00 4.03 H new ATOM 0 HD13 LEU A 58 11.211 -11.464 3.218 1.00 4.03 H new ATOM 0 HD21 LEU A 58 12.196 -13.824 4.935 1.00 43.25 H new ATOM 0 HD22 LEU A 58 11.163 -14.011 3.498 1.00 43.25 H new ATOM 0 HD23 LEU A 58 12.709 -14.886 3.603 1.00 43.25 H new ATOM 1088 N ASP A 67 6.505 -14.276 -15.626 1.00 64.41 N ATOM 1089 CA ASP A 67 6.681 -13.126 -14.747 1.00 31.21 C ATOM 1090 C ASP A 67 6.536 -13.533 -13.284 1.00 32.41 C ATOM 1091 O ASP A 67 5.462 -13.950 -12.849 1.00 41.11 O ATOM 1092 CB ASP A 67 5.664 -12.036 -15.089 1.00 62.00 C ATOM 1093 CG ASP A 67 4.256 -12.403 -14.663 1.00 3.02 C ATOM 1094 OD1 ASP A 67 3.843 -13.555 -14.910 1.00 24.12 O ATOM 1095 OD2 ASP A 67 3.567 -11.538 -14.083 1.00 0.32 O ATOM 0 HA ASP A 67 7.687 -12.734 -14.898 1.00 31.21 H new ATOM 0 HB2 ASP A 67 5.956 -11.105 -14.603 1.00 62.00 H new ATOM 0 HB3 ASP A 67 5.679 -11.853 -16.163 1.00 62.00 H new ATOM 1100 N TRP A 68 7.623 -13.411 -12.531 1.00 33.12 N ATOM 1101 CA TRP A 68 7.617 -13.768 -11.117 1.00 15.35 C ATOM 1102 C TRP A 68 7.815 -12.534 -10.243 1.00 53.32 C ATOM 1103 O TRP A 68 8.017 -11.429 -10.748 1.00 13.30 O ATOM 1104 CB TRP A 68 8.710 -14.796 -10.824 1.00 4.11 C ATOM 1105 CG TRP A 68 8.301 -15.829 -9.819 1.00 33.43 C ATOM 1106 CD1 TRP A 68 8.716 -15.920 -8.521 1.00 22.40 C ATOM 1107 CD2 TRP A 68 7.396 -16.919 -10.030 1.00 24.11 C ATOM 1108 NE1 TRP A 68 8.125 -17.001 -7.913 1.00 33.33 N ATOM 1109 CE2 TRP A 68 7.310 -17.630 -8.817 1.00 11.22 C ATOM 1110 CE3 TRP A 68 6.650 -17.362 -11.125 1.00 32.52 C ATOM 1111 CZ2 TRP A 68 6.508 -18.759 -8.671 1.00 50.43 C ATOM 1112 CZ3 TRP A 68 5.855 -18.483 -10.979 1.00 33.21 C ATOM 1113 CH2 TRP A 68 5.788 -19.170 -9.760 1.00 30.54 C ATOM 0 H TRP A 68 8.520 -13.068 -12.876 1.00 33.12 H new ATOM 0 HA TRP A 68 6.646 -14.204 -10.883 1.00 15.35 H new ATOM 0 HB2 TRP A 68 8.989 -15.294 -11.753 1.00 4.11 H new ATOM 0 HB3 TRP A 68 9.598 -14.278 -10.461 1.00 4.11 H new ATOM 0 HD1 TRP A 68 9.407 -15.242 -8.043 1.00 22.40 H new ATOM 0 HE1 TRP A 68 8.270 -17.289 -6.945 1.00 33.33 H new ATOM 0 HE3 TRP A 68 6.694 -16.838 -12.068 1.00 32.52 H new ATOM 0 HZ2 TRP A 68 6.456 -19.291 -7.733 1.00 50.43 H new ATOM 0 HZ3 TRP A 68 5.275 -18.836 -11.819 1.00 33.21 H new ATOM 0 HH2 TRP A 68 5.155 -20.042 -9.678 1.00 30.54 H new ATOM 1124 N THR A 69 7.756 -12.728 -8.929 1.00 62.13 N ATOM 1125 CA THR A 69 7.928 -11.631 -7.986 1.00 4.31 C ATOM 1126 C THR A 69 9.157 -11.846 -7.110 1.00 21.31 C ATOM 1127 O THR A 69 9.547 -12.983 -6.841 1.00 3.10 O ATOM 1128 CB THR A 69 6.691 -11.466 -7.083 1.00 60.24 C ATOM 1129 OG1 THR A 69 5.497 -11.684 -7.844 1.00 45.31 O ATOM 1130 CG2 THR A 69 6.656 -10.079 -6.461 1.00 11.32 C ATOM 0 H THR A 69 7.590 -13.636 -8.494 1.00 62.13 H new ATOM 0 HA THR A 69 8.060 -10.725 -8.577 1.00 4.31 H new ATOM 0 HB THR A 69 6.751 -12.204 -6.283 1.00 60.24 H new ATOM 0 HG1 THR A 69 4.715 -11.579 -7.263 1.00 45.31 H new ATOM 0 HG21 THR A 69 5.774 -9.986 -5.828 1.00 11.32 H new ATOM 0 HG22 THR A 69 7.552 -9.927 -5.859 1.00 11.32 H new ATOM 0 HG23 THR A 69 6.617 -9.327 -7.250 1.00 11.32 H new ATOM 1138 N ILE A 70 9.762 -10.749 -6.667 1.00 63.42 N ATOM 1139 CA ILE A 70 10.946 -10.820 -5.820 1.00 0.24 C ATOM 1140 C ILE A 70 10.836 -9.859 -4.641 1.00 1.51 C ATOM 1141 O ILE A 70 10.586 -8.666 -4.819 1.00 64.33 O ATOM 1142 CB ILE A 70 12.226 -10.497 -6.613 1.00 23.52 C ATOM 1143 CG1 ILE A 70 13.447 -10.540 -5.692 1.00 23.23 C ATOM 1144 CG2 ILE A 70 12.107 -9.136 -7.280 1.00 50.44 C ATOM 1145 CD1 ILE A 70 13.567 -11.828 -4.907 1.00 2.44 C ATOM 0 H ILE A 70 9.452 -9.801 -6.880 1.00 63.42 H new ATOM 0 HA ILE A 70 11.007 -11.843 -5.448 1.00 0.24 H new ATOM 0 HB ILE A 70 12.354 -11.250 -7.390 1.00 23.52 H new ATOM 0 HG12 ILE A 70 14.348 -10.403 -6.290 1.00 23.23 H new ATOM 0 HG13 ILE A 70 13.396 -9.703 -4.996 1.00 23.23 H new ATOM 0 HG21 ILE A 70 13.020 -8.922 -7.836 1.00 50.44 H new ATOM 0 HG22 ILE A 70 11.258 -9.139 -7.963 1.00 50.44 H new ATOM 0 HG23 ILE A 70 11.958 -8.370 -6.519 1.00 50.44 H new ATOM 0 HD11 ILE A 70 14.455 -11.788 -4.276 1.00 2.44 H new ATOM 0 HD12 ILE A 70 12.683 -11.957 -4.282 1.00 2.44 H new ATOM 0 HD13 ILE A 70 13.650 -12.668 -5.597 1.00 2.44 H new ATOM 1157 N VAL A 71 11.026 -10.385 -3.435 1.00 62.12 N ATOM 1158 CA VAL A 71 10.952 -9.574 -2.226 1.00 54.42 C ATOM 1159 C VAL A 71 12.341 -9.155 -1.759 1.00 30.14 C ATOM 1160 O VAL A 71 13.246 -9.982 -1.647 1.00 33.41 O ATOM 1161 CB VAL A 71 10.244 -10.329 -1.086 1.00 21.42 C ATOM 1162 CG1 VAL A 71 8.772 -10.532 -1.412 1.00 23.31 C ATOM 1163 CG2 VAL A 71 10.930 -11.662 -0.825 1.00 34.12 C ATOM 0 H VAL A 71 11.232 -11.370 -3.270 1.00 62.12 H new ATOM 0 HA VAL A 71 10.373 -8.685 -2.476 1.00 54.42 H new ATOM 0 HB VAL A 71 10.310 -9.728 -0.179 1.00 21.42 H new ATOM 0 HG11 VAL A 71 8.289 -11.067 -0.595 1.00 23.31 H new ATOM 0 HG12 VAL A 71 8.292 -9.563 -1.545 1.00 23.31 H new ATOM 0 HG13 VAL A 71 8.679 -11.112 -2.330 1.00 23.31 H new ATOM 0 HG21 VAL A 71 10.417 -12.183 -0.016 1.00 34.12 H new ATOM 0 HG22 VAL A 71 10.896 -12.271 -1.728 1.00 34.12 H new ATOM 0 HG23 VAL A 71 11.968 -11.488 -0.543 1.00 34.12 H new ATOM 1173 N VAL A 72 12.504 -7.864 -1.486 1.00 33.33 N ATOM 1174 CA VAL A 72 13.783 -7.335 -1.028 1.00 52.01 C ATOM 1175 C VAL A 72 13.653 -6.701 0.352 1.00 0.22 C ATOM 1176 O VAL A 72 12.819 -5.821 0.566 1.00 34.34 O ATOM 1177 CB VAL A 72 14.341 -6.289 -2.011 1.00 64.11 C ATOM 1178 CG1 VAL A 72 15.802 -5.994 -1.705 1.00 31.43 C ATOM 1179 CG2 VAL A 72 14.175 -6.765 -3.446 1.00 52.03 C ATOM 0 H VAL A 72 11.766 -7.165 -1.574 1.00 33.33 H new ATOM 0 HA VAL A 72 14.473 -8.177 -0.974 1.00 52.01 H new ATOM 0 HB VAL A 72 13.775 -5.365 -1.891 1.00 64.11 H new ATOM 0 HG11 VAL A 72 16.179 -5.253 -2.410 1.00 31.43 H new ATOM 0 HG12 VAL A 72 15.890 -5.607 -0.690 1.00 31.43 H new ATOM 0 HG13 VAL A 72 16.385 -6.910 -1.796 1.00 31.43 H new ATOM 0 HG21 VAL A 72 14.575 -6.014 -4.127 1.00 52.03 H new ATOM 0 HG22 VAL A 72 14.714 -7.702 -3.583 1.00 52.03 H new ATOM 0 HG23 VAL A 72 13.117 -6.921 -3.658 1.00 52.03 H new ATOM 1189 N ARG A 73 14.484 -7.153 1.285 1.00 3.45 N ATOM 1190 CA ARG A 73 14.462 -6.630 2.646 1.00 2.22 C ATOM 1191 C ARG A 73 15.633 -5.681 2.883 1.00 4.21 C ATOM 1192 O ARG A 73 16.789 -6.103 2.935 1.00 34.41 O ATOM 1193 CB ARG A 73 14.509 -7.777 3.657 1.00 61.10 C ATOM 1194 CG ARG A 73 15.631 -8.770 3.400 1.00 50.21 C ATOM 1195 CD ARG A 73 16.433 -9.044 4.663 1.00 52.34 C ATOM 1196 NE ARG A 73 15.648 -9.760 5.665 1.00 50.52 N ATOM 1197 CZ ARG A 73 15.442 -11.071 5.637 1.00 75.50 C ATOM 1198 NH1 ARG A 73 15.960 -11.807 4.663 1.00 55.10 N ATOM 1199 NH2 ARG A 73 14.716 -11.650 6.585 1.00 30.42 N ATOM 0 H ARG A 73 15.181 -7.880 1.124 1.00 3.45 H new ATOM 0 HA ARG A 73 13.534 -6.075 2.780 1.00 2.22 H new ATOM 0 HB2 ARG A 73 14.624 -7.363 4.659 1.00 61.10 H new ATOM 0 HB3 ARG A 73 13.556 -8.306 3.638 1.00 61.10 H new ATOM 0 HG2 ARG A 73 15.213 -9.704 3.024 1.00 50.21 H new ATOM 0 HG3 ARG A 73 16.292 -8.381 2.625 1.00 50.21 H new ATOM 0 HD2 ARG A 73 17.318 -9.628 4.411 1.00 52.34 H new ATOM 0 HD3 ARG A 73 16.782 -8.101 5.082 1.00 52.34 H new ATOM 0 HE ARG A 73 15.235 -9.223 6.428 1.00 50.52 H new ATOM 0 HH11 ARG A 73 16.519 -11.366 3.932 1.00 55.10 H new ATOM 0 HH12 ARG A 73 15.800 -12.814 4.644 1.00 55.10 H new ATOM 0 HH21 ARG A 73 14.316 -11.088 7.336 1.00 30.42 H new ATOM 0 HH22 ARG A 73 14.558 -12.657 6.563 1.00 30.42 H new ATOM 1213 N LYS A 74 15.327 -4.396 3.026 1.00 43.33 N ATOM 1214 CA LYS A 74 16.353 -3.386 3.258 1.00 51.42 C ATOM 1215 C LYS A 74 17.097 -3.655 4.562 1.00 61.54 C ATOM 1216 O LYS A 74 16.577 -4.318 5.460 1.00 43.12 O ATOM 1217 CB LYS A 74 15.725 -1.991 3.296 1.00 14.31 C ATOM 1218 CG LYS A 74 15.646 -1.321 1.935 1.00 61.40 C ATOM 1219 CD LYS A 74 16.327 0.037 1.941 1.00 20.04 C ATOM 1220 CE LYS A 74 15.319 1.165 2.103 1.00 63.22 C ATOM 1221 NZ LYS A 74 15.661 2.054 3.248 1.00 74.14 N ATOM 0 H LYS A 74 14.376 -4.029 2.985 1.00 43.33 H new ATOM 0 HA LYS A 74 17.067 -3.435 2.436 1.00 51.42 H new ATOM 0 HB2 LYS A 74 14.721 -2.065 3.714 1.00 14.31 H new ATOM 0 HB3 LYS A 74 16.304 -1.359 3.969 1.00 14.31 H new ATOM 0 HG2 LYS A 74 16.114 -1.960 1.186 1.00 61.40 H new ATOM 0 HG3 LYS A 74 14.601 -1.204 1.646 1.00 61.40 H new ATOM 0 HD2 LYS A 74 17.053 0.077 2.753 1.00 20.04 H new ATOM 0 HD3 LYS A 74 16.880 0.172 1.011 1.00 20.04 H new ATOM 0 HE2 LYS A 74 15.281 1.753 1.186 1.00 63.22 H new ATOM 0 HE3 LYS A 74 14.325 0.745 2.254 1.00 63.22 H new ATOM 0 HZ1 LYS A 74 14.788 2.441 3.660 1.00 74.14 H new ATOM 0 HZ2 LYS A 74 16.173 1.508 3.971 1.00 74.14 H new ATOM 0 HZ3 LYS A 74 16.262 2.835 2.914 1.00 74.14 H new ATOM 1235 N LYS A 75 18.317 -3.137 4.660 1.00 74.14 N ATOM 1236 CA LYS A 75 19.132 -3.319 5.855 1.00 62.25 C ATOM 1237 C LYS A 75 20.455 -2.569 5.730 1.00 34.31 C ATOM 1238 O LYS A 75 20.726 -1.936 4.711 1.00 50.42 O ATOM 1239 CB LYS A 75 19.398 -4.807 6.094 1.00 70.23 C ATOM 1240 CG LYS A 75 18.928 -5.299 7.452 1.00 54.53 C ATOM 1241 CD LYS A 75 20.085 -5.817 8.289 1.00 51.13 C ATOM 1242 CE LYS A 75 19.670 -7.012 9.134 1.00 44.42 C ATOM 1243 NZ LYS A 75 18.618 -6.652 10.124 1.00 73.21 N ATOM 0 H LYS A 75 18.763 -2.588 3.925 1.00 74.14 H new ATOM 0 HA LYS A 75 18.583 -2.913 6.705 1.00 62.25 H new ATOM 0 HB2 LYS A 75 18.901 -5.386 5.315 1.00 70.23 H new ATOM 0 HB3 LYS A 75 20.467 -4.996 5.999 1.00 70.23 H new ATOM 0 HG2 LYS A 75 18.430 -4.487 7.982 1.00 54.53 H new ATOM 0 HG3 LYS A 75 18.192 -6.091 7.318 1.00 54.53 H new ATOM 0 HD2 LYS A 75 20.910 -6.101 7.635 1.00 51.13 H new ATOM 0 HD3 LYS A 75 20.451 -5.021 8.937 1.00 51.13 H new ATOM 0 HE2 LYS A 75 19.301 -7.806 8.484 1.00 44.42 H new ATOM 0 HE3 LYS A 75 20.541 -7.407 9.657 1.00 44.42 H new ATOM 0 HZ1 LYS A 75 18.387 -7.484 10.703 1.00 73.21 H new ATOM 0 HZ2 LYS A 75 18.966 -5.889 10.739 1.00 73.21 H new ATOM 0 HZ3 LYS A 75 17.765 -6.331 9.623 1.00 73.21 H new