USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 GLN : amide:sc= 0.3 K(o=0.74,f=-2.2) USER MOD Set 1.2: A 52 SER OG : rot -32:sc= 0.437 USER MOD Single : A 1 MET CE :methyl 152:sc= -0.199 (180deg=-0.829) USER MOD Single : A 1 MET N :NH3+ -102:sc= -0.568 (180deg=-1.85!) USER MOD Single : A 2 LYS NZ :NH3+ -143:sc= -0.0867 (180deg=-0.97) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= 0.0049 (180deg=0) USER MOD Single : A 25 MET CE :methyl -179:sc= -4.23 (180deg=-4.3) USER MOD Single : A 26 GLN : amide:sc=-0.00666 X(o=-0.0067,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.4!) USER MOD Single : A 34 MET CE :methyl 149:sc= -1.42 (180deg=-2.95!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0153 X(o=-0.015,f=-0.29) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 84:sc= 0.646 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-3.4) USER MOD Single : A 59 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.062) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.293 K(o=-0.29,f=-2.3!) USER MOD Single : A 65 GLN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.662 -2.959 -1.910 1.00 31.53 N ATOM 2 CA MET A 1 1.494 -1.865 -1.422 1.00 71.45 C ATOM 3 C MET A 1 2.948 -2.306 -1.288 1.00 60.42 C ATOM 4 O MET A 1 3.277 -3.473 -1.506 1.00 54.33 O ATOM 5 CB MET A 1 0.975 -1.363 -0.074 1.00 53.20 C ATOM 6 CG MET A 1 0.664 0.125 -0.059 1.00 11.12 C ATOM 7 SD MET A 1 -1.092 0.470 -0.277 1.00 13.13 S ATOM 8 CE MET A 1 -1.769 -0.267 1.209 1.00 71.54 C ATOM 0 H1 MET A 1 0.467 -2.822 -2.922 1.00 31.53 H new ATOM 0 H2 MET A 1 1.160 -3.862 -1.772 1.00 31.53 H new ATOM 0 H3 MET A 1 -0.235 -2.974 -1.384 1.00 31.53 H new ATOM 0 HA MET A 1 1.444 -1.053 -2.147 1.00 71.45 H new ATOM 0 HB2 MET A 1 0.074 -1.917 0.188 1.00 53.20 H new ATOM 0 HB3 MET A 1 1.717 -1.579 0.695 1.00 53.20 H new ATOM 0 HG2 MET A 1 1.000 0.553 0.886 1.00 11.12 H new ATOM 0 HG3 MET A 1 1.228 0.618 -0.851 1.00 11.12 H new ATOM 0 HE1 MET A 1 -2.687 0.251 1.487 1.00 71.54 H new ATOM 0 HE2 MET A 1 -1.987 -1.319 1.026 1.00 71.54 H new ATOM 0 HE3 MET A 1 -1.045 -0.182 2.020 1.00 71.54 H new ATOM 18 N LYS A 2 3.816 -1.367 -0.928 1.00 52.34 N ATOM 19 CA LYS A 2 5.235 -1.658 -0.764 1.00 10.31 C ATOM 20 C LYS A 2 5.722 -2.618 -1.844 1.00 43.24 C ATOM 21 O LYS A 2 6.494 -3.537 -1.569 1.00 54.02 O ATOM 22 CB LYS A 2 5.497 -2.256 0.620 1.00 0.53 C ATOM 23 CG LYS A 2 4.786 -3.577 0.857 1.00 41.23 C ATOM 24 CD LYS A 2 5.120 -4.153 2.222 1.00 24.23 C ATOM 25 CE LYS A 2 4.604 -5.576 2.368 1.00 34.32 C ATOM 26 NZ LYS A 2 4.786 -6.093 3.753 1.00 74.21 N ATOM 0 H LYS A 2 3.561 -0.397 -0.744 1.00 52.34 H new ATOM 0 HA LYS A 2 5.786 -0.722 -0.859 1.00 10.31 H new ATOM 0 HB2 LYS A 2 6.570 -2.403 0.746 1.00 0.53 H new ATOM 0 HB3 LYS A 2 5.182 -1.542 1.381 1.00 0.53 H new ATOM 0 HG2 LYS A 2 3.709 -3.431 0.776 1.00 41.23 H new ATOM 0 HG3 LYS A 2 5.070 -4.288 0.082 1.00 41.23 H new ATOM 0 HD2 LYS A 2 6.200 -4.140 2.369 1.00 24.23 H new ATOM 0 HD3 LYS A 2 4.684 -3.525 2.999 1.00 24.23 H new ATOM 0 HE2 LYS A 2 3.547 -5.608 2.105 1.00 34.32 H new ATOM 0 HE3 LYS A 2 5.127 -6.226 1.666 1.00 34.32 H new ATOM 0 HZ1 LYS A 2 5.036 -7.102 3.717 1.00 74.21 H new ATOM 0 HZ2 LYS A 2 5.548 -5.564 4.224 1.00 74.21 H new ATOM 0 HZ3 LYS A 2 3.901 -5.974 4.287 1.00 74.21 H new ATOM 40 N ARG A 3 5.268 -2.397 -3.074 1.00 25.41 N ATOM 41 CA ARG A 3 5.659 -3.243 -4.195 1.00 72.15 C ATOM 42 C ARG A 3 5.842 -2.414 -5.463 1.00 62.24 C ATOM 43 O ARG A 3 5.392 -1.271 -5.541 1.00 33.01 O ATOM 44 CB ARG A 3 4.609 -4.330 -4.432 1.00 31.44 C ATOM 45 CG ARG A 3 3.443 -3.874 -5.293 1.00 70.34 C ATOM 46 CD ARG A 3 2.691 -2.721 -4.648 1.00 41.32 C ATOM 47 NE ARG A 3 1.462 -2.398 -5.367 1.00 73.25 N ATOM 48 CZ ARG A 3 0.844 -1.225 -5.279 1.00 23.45 C ATOM 49 NH1 ARG A 3 1.339 -0.269 -4.506 1.00 4.24 N ATOM 50 NH2 ARG A 3 -0.271 -1.008 -5.964 1.00 42.41 N ATOM 0 H ARG A 3 4.630 -1.640 -3.319 1.00 25.41 H new ATOM 0 HA ARG A 3 6.610 -3.714 -3.948 1.00 72.15 H new ATOM 0 HB2 ARG A 3 5.087 -5.187 -4.907 1.00 31.44 H new ATOM 0 HB3 ARG A 3 4.227 -4.670 -3.469 1.00 31.44 H new ATOM 0 HG2 ARG A 3 3.811 -3.567 -6.272 1.00 70.34 H new ATOM 0 HG3 ARG A 3 2.761 -4.709 -5.456 1.00 70.34 H new ATOM 0 HD2 ARG A 3 2.450 -2.977 -3.616 1.00 41.32 H new ATOM 0 HD3 ARG A 3 3.334 -1.842 -4.616 1.00 41.32 H new ATOM 0 HE ARG A 3 1.055 -3.113 -5.970 1.00 73.25 H new ATOM 0 HH11 ARG A 3 2.196 -0.433 -3.977 1.00 4.24 H new ATOM 0 HH12 ARG A 3 0.863 0.631 -4.440 1.00 4.24 H new ATOM 0 HH21 ARG A 3 -0.655 -1.742 -6.559 1.00 42.41 H new ATOM 0 HH22 ARG A 3 -0.744 -0.107 -5.896 1.00 42.41 H new ATOM 64 N PHE A 4 6.507 -2.998 -6.455 1.00 20.21 N ATOM 65 CA PHE A 4 6.752 -2.313 -7.719 1.00 34.41 C ATOM 66 C PHE A 4 6.469 -3.236 -8.901 1.00 31.11 C ATOM 67 O PHE A 4 7.114 -4.273 -9.061 1.00 54.42 O ATOM 68 CB PHE A 4 8.196 -1.814 -7.782 1.00 5.15 C ATOM 69 CG PHE A 4 8.314 -0.364 -8.155 1.00 52.14 C ATOM 70 CD1 PHE A 4 7.625 0.606 -7.445 1.00 5.21 C ATOM 71 CD2 PHE A 4 9.113 0.029 -9.217 1.00 32.01 C ATOM 72 CE1 PHE A 4 7.731 1.941 -7.787 1.00 61.04 C ATOM 73 CE2 PHE A 4 9.223 1.362 -9.564 1.00 12.51 C ATOM 74 CZ PHE A 4 8.532 2.320 -8.847 1.00 73.34 C ATOM 0 H PHE A 4 6.886 -3.944 -6.408 1.00 20.21 H new ATOM 0 HA PHE A 4 6.077 -1.459 -7.777 1.00 34.41 H new ATOM 0 HB2 PHE A 4 8.669 -1.971 -6.812 1.00 5.15 H new ATOM 0 HB3 PHE A 4 8.748 -2.413 -8.506 1.00 5.15 H new ATOM 0 HD1 PHE A 4 6.998 0.316 -6.615 1.00 5.21 H new ATOM 0 HD2 PHE A 4 9.656 -0.715 -9.780 1.00 32.01 H new ATOM 0 HE1 PHE A 4 7.188 2.687 -7.226 1.00 61.04 H new ATOM 0 HE2 PHE A 4 9.848 1.655 -10.395 1.00 12.51 H new ATOM 0 HZ PHE A 4 8.618 3.363 -9.115 1.00 73.34 H new ATOM 84 N ASP A 5 5.501 -2.852 -9.725 1.00 54.21 N ATOM 85 CA ASP A 5 5.132 -3.643 -10.893 1.00 73.21 C ATOM 86 C ASP A 5 5.936 -3.214 -12.116 1.00 72.13 C ATOM 87 O ASP A 5 5.597 -2.235 -12.783 1.00 70.53 O ATOM 88 CB ASP A 5 3.635 -3.505 -11.177 1.00 61.51 C ATOM 89 CG ASP A 5 2.898 -4.824 -11.050 1.00 70.24 C ATOM 90 OD1 ASP A 5 3.020 -5.662 -11.968 1.00 51.01 O ATOM 91 OD2 ASP A 5 2.198 -5.018 -10.034 1.00 25.11 O ATOM 0 H ASP A 5 4.957 -1.997 -9.606 1.00 54.21 H new ATOM 0 HA ASP A 5 5.359 -4.688 -10.680 1.00 73.21 H new ATOM 0 HB2 ASP A 5 3.202 -2.782 -10.486 1.00 61.51 H new ATOM 0 HB3 ASP A 5 3.494 -3.108 -12.182 1.00 61.51 H new ATOM 96 N LEU A 6 7.003 -3.951 -12.405 1.00 35.30 N ATOM 97 CA LEU A 6 7.856 -3.647 -13.548 1.00 5.31 C ATOM 98 C LEU A 6 7.414 -4.428 -14.781 1.00 45.33 C ATOM 99 O LEU A 6 8.081 -4.402 -15.816 1.00 61.40 O ATOM 100 CB LEU A 6 9.315 -3.971 -13.220 1.00 61.05 C ATOM 101 CG LEU A 6 10.034 -2.980 -12.304 1.00 53.24 C ATOM 102 CD1 LEU A 6 9.924 -1.567 -12.856 1.00 42.13 C ATOM 103 CD2 LEU A 6 9.466 -3.049 -10.894 1.00 63.01 C ATOM 0 H LEU A 6 7.298 -4.763 -11.863 1.00 35.30 H new ATOM 0 HA LEU A 6 7.766 -2.583 -13.765 1.00 5.31 H new ATOM 0 HB2 LEU A 6 9.352 -4.956 -12.756 1.00 61.05 H new ATOM 0 HB3 LEU A 6 9.870 -4.039 -14.156 1.00 61.05 H new ATOM 0 HG LEU A 6 11.089 -3.251 -12.263 1.00 53.24 H new ATOM 0 HD11 LEU A 6 10.441 -0.875 -12.191 1.00 42.13 H new ATOM 0 HD12 LEU A 6 10.378 -1.527 -13.846 1.00 42.13 H new ATOM 0 HD13 LEU A 6 8.874 -1.285 -12.927 1.00 42.13 H new ATOM 0 HD21 LEU A 6 9.989 -2.337 -10.256 1.00 63.01 H new ATOM 0 HD22 LEU A 6 8.404 -2.803 -10.917 1.00 63.01 H new ATOM 0 HD23 LEU A 6 9.597 -4.056 -10.498 1.00 63.01 H new ATOM 115 N ARG A 7 6.286 -5.119 -14.664 1.00 75.13 N ATOM 116 CA ARG A 7 5.754 -5.907 -15.770 1.00 51.41 C ATOM 117 C ARG A 7 5.707 -5.081 -17.052 1.00 41.24 C ATOM 118 O ARG A 7 6.332 -5.416 -18.059 1.00 2.12 O ATOM 119 CB ARG A 7 4.354 -6.421 -15.431 1.00 33.11 C ATOM 120 CG ARG A 7 4.293 -7.924 -15.213 1.00 64.25 C ATOM 121 CD ARG A 7 3.089 -8.318 -14.372 1.00 3.50 C ATOM 122 NE ARG A 7 1.968 -8.761 -15.195 1.00 55.12 N ATOM 123 CZ ARG A 7 0.809 -9.176 -14.696 1.00 74.11 C ATOM 124 NH1 ARG A 7 0.620 -9.204 -13.384 1.00 21.00 N ATOM 125 NH2 ARG A 7 -0.165 -9.564 -15.510 1.00 61.01 N ATOM 0 H ARG A 7 5.722 -5.150 -13.815 1.00 75.13 H new ATOM 0 HA ARG A 7 6.417 -6.757 -15.929 1.00 51.41 H new ATOM 0 HB2 ARG A 7 3.999 -5.917 -14.532 1.00 33.11 H new ATOM 0 HB3 ARG A 7 3.672 -6.151 -16.237 1.00 33.11 H new ATOM 0 HG2 ARG A 7 4.246 -8.431 -16.177 1.00 64.25 H new ATOM 0 HG3 ARG A 7 5.206 -8.259 -14.721 1.00 64.25 H new ATOM 0 HD2 ARG A 7 3.372 -9.116 -13.685 1.00 3.50 H new ATOM 0 HD3 ARG A 7 2.778 -7.469 -13.763 1.00 3.50 H new ATOM 0 HE ARG A 7 2.081 -8.751 -16.209 1.00 55.12 H new ATOM 0 HH11 ARG A 7 1.366 -8.906 -12.755 1.00 21.00 H new ATOM 0 HH12 ARG A 7 -0.271 -9.523 -13.004 1.00 21.00 H new ATOM 0 HH21 ARG A 7 -0.024 -9.544 -16.520 1.00 61.01 H new ATOM 0 HH22 ARG A 7 -1.054 -9.882 -15.126 1.00 61.01 H new ATOM 139 N PRO A 8 4.948 -3.975 -17.017 1.00 62.44 N ATOM 140 CA PRO A 8 4.802 -3.079 -18.168 1.00 75.10 C ATOM 141 C PRO A 8 6.082 -2.309 -18.470 1.00 4.33 C ATOM 142 O PRO A 8 6.210 -1.685 -19.524 1.00 64.44 O ATOM 143 CB PRO A 8 3.691 -2.120 -17.731 1.00 61.34 C ATOM 144 CG PRO A 8 3.748 -2.128 -16.243 1.00 11.52 C ATOM 145 CD PRO A 8 4.175 -3.515 -15.851 1.00 64.15 C ATOM 0 HA PRO A 8 4.577 -3.625 -19.084 1.00 75.10 H new ATOM 0 HB2 PRO A 8 3.854 -1.118 -18.128 1.00 61.34 H new ATOM 0 HB3 PRO A 8 2.717 -2.451 -18.092 1.00 61.34 H new ATOM 0 HG2 PRO A 8 4.455 -1.384 -15.876 1.00 11.52 H new ATOM 0 HG3 PRO A 8 2.776 -1.883 -15.814 1.00 11.52 H new ATOM 0 HD2 PRO A 8 4.780 -3.508 -14.945 1.00 64.15 H new ATOM 0 HD3 PRO A 8 3.318 -4.160 -15.657 1.00 64.15 H new ATOM 153 N LEU A 9 7.029 -2.355 -17.538 1.00 75.44 N ATOM 154 CA LEU A 9 8.301 -1.662 -17.705 1.00 41.20 C ATOM 155 C LEU A 9 9.264 -2.487 -18.552 1.00 24.31 C ATOM 156 O LEU A 9 9.406 -3.694 -18.352 1.00 43.14 O ATOM 157 CB LEU A 9 8.927 -1.368 -16.340 1.00 72.14 C ATOM 158 CG LEU A 9 8.827 0.078 -15.853 1.00 73.23 C ATOM 159 CD1 LEU A 9 7.856 0.182 -14.687 1.00 4.11 C ATOM 160 CD2 LEU A 9 10.199 0.603 -15.457 1.00 13.23 C ATOM 0 H LEU A 9 6.939 -2.865 -16.659 1.00 75.44 H new ATOM 0 HA LEU A 9 8.109 -0.721 -18.220 1.00 41.20 H new ATOM 0 HB2 LEU A 9 8.454 -2.013 -15.599 1.00 72.14 H new ATOM 0 HB3 LEU A 9 9.980 -1.645 -16.378 1.00 72.14 H new ATOM 0 HG LEU A 9 8.448 0.692 -16.670 1.00 73.23 H new ATOM 0 HD11 LEU A 9 7.798 1.218 -14.353 1.00 4.11 H new ATOM 0 HD12 LEU A 9 6.869 -0.153 -15.005 1.00 4.11 H new ATOM 0 HD13 LEU A 9 8.205 -0.444 -13.866 1.00 4.11 H new ATOM 0 HD21 LEU A 9 10.109 1.633 -15.113 1.00 13.23 H new ATOM 0 HD22 LEU A 9 10.607 -0.013 -14.655 1.00 13.23 H new ATOM 0 HD23 LEU A 9 10.866 0.565 -16.319 1.00 13.23 H new ATOM 172 N LYS A 10 9.926 -1.829 -19.497 1.00 44.41 N ATOM 173 CA LYS A 10 10.880 -2.499 -20.373 1.00 73.40 C ATOM 174 C LYS A 10 12.183 -2.792 -19.636 1.00 41.44 C ATOM 175 O LYS A 10 12.459 -2.208 -18.589 1.00 1.12 O ATOM 176 CB LYS A 10 11.161 -1.640 -21.608 1.00 21.22 C ATOM 177 CG LYS A 10 12.001 -0.410 -21.314 1.00 3.51 C ATOM 178 CD LYS A 10 12.181 0.452 -22.553 1.00 22.32 C ATOM 179 CE LYS A 10 10.962 1.324 -22.807 1.00 14.32 C ATOM 180 NZ LYS A 10 10.683 1.478 -24.262 1.00 11.14 N ATOM 0 H LYS A 10 9.819 -0.831 -19.676 1.00 44.41 H new ATOM 0 HA LYS A 10 10.442 -3.446 -20.689 1.00 73.40 H new ATOM 0 HB2 LYS A 10 11.671 -2.248 -22.355 1.00 21.22 H new ATOM 0 HB3 LYS A 10 10.213 -1.326 -22.046 1.00 21.22 H new ATOM 0 HG2 LYS A 10 11.526 0.177 -20.528 1.00 3.51 H new ATOM 0 HG3 LYS A 10 12.977 -0.716 -20.938 1.00 3.51 H new ATOM 0 HD2 LYS A 10 13.062 1.082 -22.434 1.00 22.32 H new ATOM 0 HD3 LYS A 10 12.360 -0.186 -23.418 1.00 22.32 H new ATOM 0 HE2 LYS A 10 10.093 0.886 -22.315 1.00 14.32 H new ATOM 0 HE3 LYS A 10 11.119 2.306 -22.361 1.00 14.32 H new ATOM 0 HZ1 LYS A 10 9.845 2.079 -24.393 1.00 11.14 H new ATOM 0 HZ2 LYS A 10 11.502 1.919 -24.728 1.00 11.14 H new ATOM 0 HZ3 LYS A 10 10.508 0.543 -24.683 1.00 11.14 H new ATOM 194 N ALA A 11 12.981 -3.698 -20.192 1.00 1.41 N ATOM 195 CA ALA A 11 14.257 -4.064 -19.589 1.00 73.12 C ATOM 196 C ALA A 11 15.261 -2.921 -19.693 1.00 22.44 C ATOM 197 O ALA A 11 15.291 -2.196 -20.686 1.00 62.30 O ATOM 198 CB ALA A 11 14.811 -5.318 -20.249 1.00 22.02 C ATOM 0 H ALA A 11 12.767 -4.192 -21.058 1.00 1.41 H new ATOM 0 HA ALA A 11 14.087 -4.268 -18.532 1.00 73.12 H new ATOM 0 HB1 ALA A 11 15.764 -5.580 -19.789 1.00 22.02 H new ATOM 0 HB2 ALA A 11 14.107 -6.140 -20.118 1.00 22.02 H new ATOM 0 HB3 ALA A 11 14.960 -5.134 -21.313 1.00 22.02 H new ATOM 204 N GLY A 12 16.083 -2.766 -18.659 1.00 34.04 N ATOM 205 CA GLY A 12 17.077 -1.709 -18.653 1.00 53.33 C ATOM 206 C GLY A 12 16.709 -0.572 -17.721 1.00 55.40 C ATOM 207 O GLY A 12 17.564 -0.038 -17.014 1.00 20.53 O ATOM 0 H GLY A 12 16.078 -3.354 -17.825 1.00 34.04 H new ATOM 0 HA2 GLY A 12 18.040 -2.122 -18.354 1.00 53.33 H new ATOM 0 HA3 GLY A 12 17.196 -1.321 -19.665 1.00 53.33 H new ATOM 211 N ILE A 13 15.433 -0.198 -17.721 1.00 24.13 N ATOM 212 CA ILE A 13 14.955 0.884 -16.869 1.00 31.52 C ATOM 213 C ILE A 13 14.273 0.338 -15.619 1.00 2.15 C ATOM 214 O ILE A 13 14.294 0.969 -14.561 1.00 65.14 O ATOM 215 CB ILE A 13 13.969 1.798 -17.620 1.00 21.30 C ATOM 216 CG1 ILE A 13 14.543 2.193 -18.982 1.00 51.11 C ATOM 217 CG2 ILE A 13 13.657 3.035 -16.791 1.00 63.21 C ATOM 218 CD1 ILE A 13 13.611 3.056 -19.803 1.00 53.30 C ATOM 0 H ILE A 13 14.713 -0.628 -18.301 1.00 24.13 H new ATOM 0 HA ILE A 13 15.829 1.467 -16.579 1.00 31.52 H new ATOM 0 HB ILE A 13 13.041 1.251 -17.783 1.00 21.30 H new ATOM 0 HG12 ILE A 13 15.481 2.727 -18.831 1.00 51.11 H new ATOM 0 HG13 ILE A 13 14.778 1.289 -19.544 1.00 51.11 H new ATOM 0 HG21 ILE A 13 12.959 3.671 -17.335 1.00 63.21 H new ATOM 0 HG22 ILE A 13 13.211 2.735 -15.843 1.00 63.21 H new ATOM 0 HG23 ILE A 13 14.577 3.587 -16.600 1.00 63.21 H new ATOM 0 HD11 ILE A 13 14.083 3.298 -20.755 1.00 53.30 H new ATOM 0 HD12 ILE A 13 12.682 2.516 -19.985 1.00 53.30 H new ATOM 0 HD13 ILE A 13 13.396 3.977 -19.261 1.00 53.30 H new ATOM 230 N PHE A 14 13.670 -0.839 -15.746 1.00 21.20 N ATOM 231 CA PHE A 14 12.982 -1.471 -14.626 1.00 64.11 C ATOM 232 C PHE A 14 13.937 -1.691 -13.456 1.00 14.43 C ATOM 233 O PHE A 14 13.515 -1.750 -12.301 1.00 42.32 O ATOM 234 CB PHE A 14 12.375 -2.806 -15.061 1.00 20.41 C ATOM 235 CG PHE A 14 13.369 -3.932 -15.103 1.00 41.45 C ATOM 236 CD1 PHE A 14 14.499 -3.846 -15.901 1.00 10.43 C ATOM 237 CD2 PHE A 14 13.173 -5.076 -14.347 1.00 3.44 C ATOM 238 CE1 PHE A 14 15.416 -4.879 -15.942 1.00 30.01 C ATOM 239 CE2 PHE A 14 14.087 -6.112 -14.383 1.00 51.14 C ATOM 240 CZ PHE A 14 15.209 -6.014 -15.183 1.00 30.11 C ATOM 0 H PHE A 14 13.644 -1.375 -16.613 1.00 21.20 H new ATOM 0 HA PHE A 14 12.183 -0.805 -14.300 1.00 64.11 H new ATOM 0 HB2 PHE A 14 11.569 -3.069 -14.377 1.00 20.41 H new ATOM 0 HB3 PHE A 14 11.929 -2.689 -16.049 1.00 20.41 H new ATOM 0 HD1 PHE A 14 14.665 -2.961 -16.498 1.00 10.43 H new ATOM 0 HD2 PHE A 14 12.296 -5.159 -13.722 1.00 3.44 H new ATOM 0 HE1 PHE A 14 16.293 -4.799 -16.567 1.00 30.01 H new ATOM 0 HE2 PHE A 14 13.924 -6.997 -13.786 1.00 51.14 H new ATOM 0 HZ PHE A 14 15.923 -6.824 -15.215 1.00 30.11 H new ATOM 250 N GLU A 15 15.224 -1.811 -13.764 1.00 61.22 N ATOM 251 CA GLU A 15 16.238 -2.026 -12.738 1.00 51.33 C ATOM 252 C GLU A 15 16.682 -0.700 -12.126 1.00 75.13 C ATOM 253 O GLU A 15 17.137 -0.654 -10.984 1.00 1.55 O ATOM 254 CB GLU A 15 17.445 -2.757 -13.328 1.00 64.22 C ATOM 255 CG GLU A 15 18.617 -2.871 -12.367 1.00 40.04 C ATOM 256 CD GLU A 15 19.778 -1.976 -12.754 1.00 50.44 C ATOM 257 OE1 GLU A 15 20.644 -2.431 -13.531 1.00 3.35 O ATOM 258 OE2 GLU A 15 19.821 -0.821 -12.282 1.00 14.34 O ATOM 0 H GLU A 15 15.589 -1.763 -14.715 1.00 61.22 H new ATOM 0 HA GLU A 15 15.799 -2.640 -11.952 1.00 51.33 H new ATOM 0 HB2 GLU A 15 17.139 -3.757 -13.635 1.00 64.22 H new ATOM 0 HB3 GLU A 15 17.772 -2.234 -14.227 1.00 64.22 H new ATOM 0 HG2 GLU A 15 18.284 -2.613 -11.362 1.00 40.04 H new ATOM 0 HG3 GLU A 15 18.956 -3.906 -12.335 1.00 40.04 H new ATOM 265 N ARG A 16 16.545 0.375 -12.896 1.00 4.04 N ATOM 266 CA ARG A 16 16.933 1.701 -12.431 1.00 5.23 C ATOM 267 C ARG A 16 15.820 2.334 -11.601 1.00 61.01 C ATOM 268 O ARG A 16 16.082 3.040 -10.626 1.00 40.13 O ATOM 269 CB ARG A 16 17.273 2.602 -13.619 1.00 44.43 C ATOM 270 CG ARG A 16 18.753 2.618 -13.968 1.00 73.14 C ATOM 271 CD ARG A 16 18.977 2.378 -15.453 1.00 62.40 C ATOM 272 NE ARG A 16 20.048 3.215 -15.987 1.00 54.33 N ATOM 273 CZ ARG A 16 21.337 2.997 -15.755 1.00 1.21 C ATOM 274 NH1 ARG A 16 21.714 1.973 -15.002 1.00 4.10 N ATOM 275 NH2 ARG A 16 22.252 3.804 -16.276 1.00 43.05 N ATOM 0 H ARG A 16 16.169 0.353 -13.844 1.00 4.04 H new ATOM 0 HA ARG A 16 17.816 1.593 -11.801 1.00 5.23 H new ATOM 0 HB2 ARG A 16 16.707 2.270 -14.489 1.00 44.43 H new ATOM 0 HB3 ARG A 16 16.950 3.619 -13.397 1.00 44.43 H new ATOM 0 HG2 ARG A 16 19.185 3.578 -13.684 1.00 73.14 H new ATOM 0 HG3 ARG A 16 19.272 1.852 -13.392 1.00 73.14 H new ATOM 0 HD2 ARG A 16 19.221 1.328 -15.618 1.00 62.40 H new ATOM 0 HD3 ARG A 16 18.054 2.580 -15.996 1.00 62.40 H new ATOM 0 HE ARG A 16 19.792 4.011 -16.571 1.00 54.33 H new ATOM 0 HH11 ARG A 16 21.013 1.351 -14.600 1.00 4.10 H new ATOM 0 HH12 ARG A 16 22.705 1.808 -14.825 1.00 4.10 H new ATOM 0 HH21 ARG A 16 21.966 4.593 -16.856 1.00 43.05 H new ATOM 0 HH22 ARG A 16 23.242 3.635 -16.097 1.00 43.05 H new ATOM 289 N LEU A 17 14.578 2.077 -11.994 1.00 75.22 N ATOM 290 CA LEU A 17 13.423 2.621 -11.287 1.00 43.35 C ATOM 291 C LEU A 17 13.231 1.927 -9.943 1.00 74.11 C ATOM 292 O LEU A 17 12.705 2.516 -9.000 1.00 12.34 O ATOM 293 CB LEU A 17 12.161 2.469 -12.138 1.00 42.34 C ATOM 294 CG LEU A 17 11.444 3.767 -12.513 1.00 61.21 C ATOM 295 CD1 LEU A 17 11.117 4.575 -11.267 1.00 44.21 C ATOM 296 CD2 LEU A 17 12.292 4.586 -13.475 1.00 72.15 C ATOM 0 H LEU A 17 14.344 1.495 -12.799 1.00 75.22 H new ATOM 0 HA LEU A 17 13.605 3.680 -11.105 1.00 43.35 H new ATOM 0 HB2 LEU A 17 12.427 1.946 -13.057 1.00 42.34 H new ATOM 0 HB3 LEU A 17 11.459 1.832 -11.600 1.00 42.34 H new ATOM 0 HG LEU A 17 10.509 3.512 -13.012 1.00 61.21 H new ATOM 0 HD11 LEU A 17 10.607 5.495 -11.553 1.00 44.21 H new ATOM 0 HD12 LEU A 17 10.470 3.990 -10.613 1.00 44.21 H new ATOM 0 HD13 LEU A 17 12.039 4.820 -10.740 1.00 44.21 H new ATOM 0 HD21 LEU A 17 11.766 5.506 -13.731 1.00 72.15 H new ATOM 0 HD22 LEU A 17 13.243 4.831 -13.003 1.00 72.15 H new ATOM 0 HD23 LEU A 17 12.475 4.008 -14.381 1.00 72.15 H new ATOM 308 N GLU A 18 13.662 0.672 -9.864 1.00 20.02 N ATOM 309 CA GLU A 18 13.538 -0.101 -8.634 1.00 33.51 C ATOM 310 C GLU A 18 14.236 0.604 -7.475 1.00 24.42 C ATOM 311 O GLU A 18 13.866 0.428 -6.315 1.00 12.03 O ATOM 312 CB GLU A 18 14.127 -1.501 -8.823 1.00 52.15 C ATOM 313 CG GLU A 18 13.232 -2.613 -8.303 1.00 63.41 C ATOM 314 CD GLU A 18 12.980 -3.692 -9.339 1.00 11.30 C ATOM 315 OE1 GLU A 18 12.579 -3.345 -10.470 1.00 1.11 O ATOM 316 OE2 GLU A 18 13.183 -4.882 -9.019 1.00 52.52 O ATOM 0 H GLU A 18 14.100 0.170 -10.636 1.00 20.02 H new ATOM 0 HA GLU A 18 12.478 -0.190 -8.397 1.00 33.51 H new ATOM 0 HB2 GLU A 18 14.318 -1.666 -9.883 1.00 52.15 H new ATOM 0 HB3 GLU A 18 15.090 -1.553 -8.314 1.00 52.15 H new ATOM 0 HG2 GLU A 18 13.690 -3.061 -7.421 1.00 63.41 H new ATOM 0 HG3 GLU A 18 12.279 -2.189 -7.986 1.00 63.41 H new ATOM 323 N GLU A 19 15.249 1.401 -7.799 1.00 44.11 N ATOM 324 CA GLU A 19 16.001 2.131 -6.785 1.00 13.41 C ATOM 325 C GLU A 19 15.265 3.403 -6.373 1.00 51.34 C ATOM 326 O GLU A 19 15.367 3.851 -5.230 1.00 51.15 O ATOM 327 CB GLU A 19 17.396 2.482 -7.306 1.00 10.11 C ATOM 328 CG GLU A 19 18.157 3.442 -6.408 1.00 4.52 C ATOM 329 CD GLU A 19 18.259 4.836 -6.997 1.00 70.01 C ATOM 330 OE1 GLU A 19 17.204 5.418 -7.328 1.00 25.21 O ATOM 331 OE2 GLU A 19 19.392 5.344 -7.128 1.00 11.43 O ATOM 0 H GLU A 19 15.568 1.558 -8.755 1.00 44.11 H new ATOM 0 HA GLU A 19 16.099 1.489 -5.910 1.00 13.41 H new ATOM 0 HB2 GLU A 19 17.975 1.565 -7.416 1.00 10.11 H new ATOM 0 HB3 GLU A 19 17.304 2.922 -8.299 1.00 10.11 H new ATOM 0 HG2 GLU A 19 17.662 3.497 -5.439 1.00 4.52 H new ATOM 0 HG3 GLU A 19 19.159 3.052 -6.232 1.00 4.52 H new ATOM 338 N LEU A 20 14.524 3.981 -7.313 1.00 2.14 N ATOM 339 CA LEU A 20 13.771 5.202 -7.049 1.00 52.44 C ATOM 340 C LEU A 20 12.753 4.985 -5.934 1.00 24.20 C ATOM 341 O LEU A 20 12.504 5.879 -5.125 1.00 24.13 O ATOM 342 CB LEU A 20 13.059 5.670 -8.320 1.00 42.02 C ATOM 343 CG LEU A 20 13.509 7.018 -8.884 1.00 2.31 C ATOM 344 CD1 LEU A 20 14.537 6.819 -9.987 1.00 41.30 C ATOM 345 CD2 LEU A 20 12.314 7.806 -9.402 1.00 23.55 C ATOM 0 H LEU A 20 14.429 3.624 -8.264 1.00 2.14 H new ATOM 0 HA LEU A 20 14.474 5.971 -6.729 1.00 52.44 H new ATOM 0 HB2 LEU A 20 13.198 4.912 -9.091 1.00 42.02 H new ATOM 0 HB3 LEU A 20 11.990 5.723 -8.115 1.00 42.02 H new ATOM 0 HG LEU A 20 13.974 7.589 -8.080 1.00 2.31 H new ATOM 0 HD11 LEU A 20 14.845 7.789 -10.376 1.00 41.30 H new ATOM 0 HD12 LEU A 20 15.405 6.297 -9.585 1.00 41.30 H new ATOM 0 HD13 LEU A 20 14.098 6.228 -10.791 1.00 41.30 H new ATOM 0 HD21 LEU A 20 12.654 8.762 -9.800 1.00 23.55 H new ATOM 0 HD22 LEU A 20 11.819 7.240 -10.191 1.00 23.55 H new ATOM 0 HD23 LEU A 20 11.612 7.981 -8.586 1.00 23.55 H new ATOM 357 N ILE A 21 12.171 3.791 -5.896 1.00 54.34 N ATOM 358 CA ILE A 21 11.183 3.456 -4.878 1.00 62.41 C ATOM 359 C ILE A 21 11.853 2.908 -3.623 1.00 32.55 C ATOM 360 O ILE A 21 11.370 3.114 -2.510 1.00 31.12 O ATOM 361 CB ILE A 21 10.168 2.421 -5.398 1.00 53.11 C ATOM 362 CG1 ILE A 21 9.075 2.178 -4.355 1.00 20.20 C ATOM 363 CG2 ILE A 21 10.871 1.119 -5.750 1.00 22.23 C ATOM 364 CD1 ILE A 21 8.227 3.398 -4.072 1.00 4.31 C ATOM 0 H ILE A 21 12.366 3.040 -6.558 1.00 54.34 H new ATOM 0 HA ILE A 21 10.656 4.378 -4.633 1.00 62.41 H new ATOM 0 HB ILE A 21 9.701 2.814 -6.301 1.00 53.11 H new ATOM 0 HG12 ILE A 21 8.430 1.369 -4.698 1.00 20.20 H new ATOM 0 HG13 ILE A 21 9.538 1.844 -3.426 1.00 20.20 H new ATOM 0 HG21 ILE A 21 10.140 0.398 -6.116 1.00 22.23 H new ATOM 0 HG22 ILE A 21 11.616 1.305 -6.524 1.00 22.23 H new ATOM 0 HG23 ILE A 21 11.362 0.719 -4.863 1.00 22.23 H new ATOM 0 HD11 ILE A 21 7.474 3.152 -3.324 1.00 4.31 H new ATOM 0 HD12 ILE A 21 8.860 4.203 -3.698 1.00 4.31 H new ATOM 0 HD13 ILE A 21 7.735 3.720 -4.990 1.00 4.31 H new ATOM 376 N GLU A 22 12.969 2.210 -3.810 1.00 74.41 N ATOM 377 CA GLU A 22 13.705 1.633 -2.692 1.00 21.34 C ATOM 378 C GLU A 22 14.092 2.709 -1.682 1.00 12.43 C ATOM 379 O GLU A 22 14.260 2.432 -0.494 1.00 71.41 O ATOM 380 CB GLU A 22 14.960 0.915 -3.194 1.00 54.10 C ATOM 381 CG GLU A 22 15.267 -0.370 -2.444 1.00 71.44 C ATOM 382 CD GLU A 22 15.322 -1.580 -3.358 1.00 14.52 C ATOM 383 OE1 GLU A 22 14.533 -1.627 -4.325 1.00 61.53 O ATOM 384 OE2 GLU A 22 16.152 -2.477 -3.106 1.00 32.45 O ATOM 0 H GLU A 22 13.383 2.031 -4.725 1.00 74.41 H new ATOM 0 HA GLU A 22 13.055 0.911 -2.197 1.00 21.34 H new ATOM 0 HB2 GLU A 22 14.839 0.688 -4.253 1.00 54.10 H new ATOM 0 HB3 GLU A 22 15.813 1.589 -3.108 1.00 54.10 H new ATOM 0 HG2 GLU A 22 16.221 -0.266 -1.927 1.00 71.44 H new ATOM 0 HG3 GLU A 22 14.507 -0.531 -1.680 1.00 71.44 H new ATOM 391 N LYS A 23 14.232 3.940 -2.162 1.00 40.15 N ATOM 392 CA LYS A 23 14.598 5.060 -1.304 1.00 2.30 C ATOM 393 C LYS A 23 13.491 5.360 -0.298 1.00 71.15 C ATOM 394 O LYS A 23 13.759 5.624 0.873 1.00 65.20 O ATOM 395 CB LYS A 23 14.885 6.304 -2.148 1.00 41.13 C ATOM 396 CG LYS A 23 16.353 6.692 -2.180 1.00 1.42 C ATOM 397 CD LYS A 23 16.557 8.048 -2.836 1.00 25.24 C ATOM 398 CE LYS A 23 16.500 7.947 -4.352 1.00 50.42 C ATOM 399 NZ LYS A 23 17.833 7.636 -4.938 1.00 70.34 N ATOM 0 H LYS A 23 14.097 4.187 -3.142 1.00 40.15 H new ATOM 0 HA LYS A 23 15.499 4.785 -0.755 1.00 2.30 H new ATOM 0 HB2 LYS A 23 14.542 6.128 -3.168 1.00 41.13 H new ATOM 0 HB3 LYS A 23 14.305 7.140 -1.757 1.00 41.13 H new ATOM 0 HG2 LYS A 23 16.746 6.716 -1.164 1.00 1.42 H new ATOM 0 HG3 LYS A 23 16.919 5.935 -2.723 1.00 1.42 H new ATOM 0 HD2 LYS A 23 15.791 8.741 -2.487 1.00 25.24 H new ATOM 0 HD3 LYS A 23 17.520 8.459 -2.533 1.00 25.24 H new ATOM 0 HE2 LYS A 23 15.788 7.173 -4.638 1.00 50.42 H new ATOM 0 HE3 LYS A 23 16.132 8.886 -4.765 1.00 50.42 H new ATOM 0 HZ1 LYS A 23 17.708 7.216 -5.881 1.00 70.34 H new ATOM 0 HZ2 LYS A 23 18.389 8.511 -5.020 1.00 70.34 H new ATOM 0 HZ3 LYS A 23 18.334 6.964 -4.323 1.00 70.34 H new ATOM 413 N GLU A 24 12.247 5.316 -0.764 1.00 73.44 N ATOM 414 CA GLU A 24 11.100 5.582 0.096 1.00 73.23 C ATOM 415 C GLU A 24 10.864 4.424 1.062 1.00 52.41 C ATOM 416 O GLU A 24 10.418 4.626 2.191 1.00 24.12 O ATOM 417 CB GLU A 24 9.846 5.820 -0.748 1.00 73.10 C ATOM 418 CG GLU A 24 9.022 7.012 -0.291 1.00 52.01 C ATOM 419 CD GLU A 24 7.678 6.607 0.284 1.00 63.15 C ATOM 420 OE1 GLU A 24 6.906 5.934 -0.430 1.00 72.20 O ATOM 421 OE2 GLU A 24 7.400 6.963 1.448 1.00 51.32 O ATOM 0 H GLU A 24 12.008 5.099 -1.732 1.00 73.44 H new ATOM 0 HA GLU A 24 11.314 6.479 0.677 1.00 73.23 H new ATOM 0 HB2 GLU A 24 10.140 5.969 -1.787 1.00 73.10 H new ATOM 0 HB3 GLU A 24 9.223 4.926 -0.719 1.00 73.10 H new ATOM 0 HG2 GLU A 24 9.582 7.569 0.461 1.00 52.01 H new ATOM 0 HG3 GLU A 24 8.864 7.685 -1.134 1.00 52.01 H new ATOM 428 N MET A 25 11.166 3.212 0.608 1.00 15.14 N ATOM 429 CA MET A 25 10.987 2.022 1.432 1.00 1.24 C ATOM 430 C MET A 25 11.761 2.146 2.741 1.00 21.00 C ATOM 431 O MET A 25 12.818 2.774 2.789 1.00 23.03 O ATOM 432 CB MET A 25 11.444 0.776 0.672 1.00 61.11 C ATOM 433 CG MET A 25 10.561 0.431 -0.516 1.00 33.20 C ATOM 434 SD MET A 25 8.884 -0.018 -0.028 1.00 22.25 S ATOM 435 CE MET A 25 9.212 -1.357 1.117 1.00 51.43 C ATOM 0 H MET A 25 11.535 3.028 -0.325 1.00 15.14 H new ATOM 0 HA MET A 25 9.926 1.928 1.665 1.00 1.24 H new ATOM 0 HB2 MET A 25 12.465 0.928 0.323 1.00 61.11 H new ATOM 0 HB3 MET A 25 11.464 -0.071 1.358 1.00 61.11 H new ATOM 0 HG2 MET A 25 10.522 1.283 -1.194 1.00 33.20 H new ATOM 0 HG3 MET A 25 11.008 -0.396 -1.068 1.00 33.20 H new ATOM 0 HE1 MET A 25 8.269 -1.754 1.493 1.00 51.43 H new ATOM 0 HE2 MET A 25 9.760 -2.148 0.605 1.00 51.43 H new ATOM 0 HE3 MET A 25 9.807 -0.985 1.951 1.00 51.43 H new ATOM 445 N GLN A 26 11.227 1.544 3.799 1.00 70.34 N ATOM 446 CA GLN A 26 11.868 1.588 5.107 1.00 3.43 C ATOM 447 C GLN A 26 13.173 0.799 5.101 1.00 3.13 C ATOM 448 O GLN A 26 13.412 -0.047 4.239 1.00 53.42 O ATOM 449 CB GLN A 26 10.928 1.034 6.179 1.00 71.33 C ATOM 450 CG GLN A 26 10.336 2.104 7.082 1.00 23.30 C ATOM 451 CD GLN A 26 8.934 2.506 6.669 1.00 4.30 C ATOM 452 OE1 GLN A 26 7.978 2.333 7.425 1.00 1.01 O ATOM 453 NE2 GLN A 26 8.805 3.048 5.463 1.00 34.34 N ATOM 0 H GLN A 26 10.352 1.020 3.775 1.00 70.34 H new ATOM 0 HA GLN A 26 12.095 2.629 5.337 1.00 3.43 H new ATOM 0 HB2 GLN A 26 10.117 0.491 5.694 1.00 71.33 H new ATOM 0 HB3 GLN A 26 11.472 0.315 6.791 1.00 71.33 H new ATOM 0 HG2 GLN A 26 10.317 1.738 8.109 1.00 23.30 H new ATOM 0 HG3 GLN A 26 10.981 2.983 7.069 1.00 23.30 H new ATOM 0 HE21 GLN A 26 9.625 3.173 4.870 1.00 34.34 H new ATOM 0 HE22 GLN A 26 7.886 3.340 5.131 1.00 34.34 H new ATOM 462 N PRO A 27 14.040 1.080 6.085 1.00 1.35 N ATOM 463 CA PRO A 27 15.336 0.407 6.215 1.00 12.25 C ATOM 464 C PRO A 27 15.191 -1.054 6.627 1.00 4.12 C ATOM 465 O PRO A 27 16.172 -1.795 6.674 1.00 1.02 O ATOM 466 CB PRO A 27 16.041 1.205 7.315 1.00 44.32 C ATOM 467 CG PRO A 27 14.937 1.802 8.118 1.00 44.04 C ATOM 468 CD PRO A 27 13.822 2.077 7.148 1.00 73.44 C ATOM 0 HA PRO A 27 15.880 0.384 5.271 1.00 12.25 H new ATOM 0 HB2 PRO A 27 16.673 0.562 7.928 1.00 44.32 H new ATOM 0 HB3 PRO A 27 16.685 1.976 6.893 1.00 44.32 H new ATOM 0 HG2 PRO A 27 14.612 1.119 8.903 1.00 44.04 H new ATOM 0 HG3 PRO A 27 15.263 2.719 8.608 1.00 44.04 H new ATOM 0 HD2 PRO A 27 12.844 1.959 7.615 1.00 73.44 H new ATOM 0 HD3 PRO A 27 13.869 3.095 6.760 1.00 73.44 H new ATOM 476 N ASN A 28 13.962 -1.461 6.924 1.00 34.41 N ATOM 477 CA ASN A 28 13.689 -2.835 7.332 1.00 3.11 C ATOM 478 C ASN A 28 12.331 -3.297 6.814 1.00 71.24 C ATOM 479 O ASN A 28 11.627 -4.055 7.480 1.00 12.32 O ATOM 480 CB ASN A 28 13.733 -2.954 8.857 1.00 63.32 C ATOM 481 CG ASN A 28 14.377 -4.248 9.317 1.00 10.11 C ATOM 482 OD1 ASN A 28 14.553 -5.180 8.533 1.00 71.24 O ATOM 483 ND2 ASN A 28 14.732 -4.310 10.595 1.00 13.03 N ATOM 0 H ASN A 28 13.139 -0.860 6.890 1.00 34.41 H new ATOM 0 HA ASN A 28 14.459 -3.475 6.901 1.00 3.11 H new ATOM 0 HB2 ASN A 28 14.286 -2.110 9.269 1.00 63.32 H new ATOM 0 HB3 ASN A 28 12.719 -2.895 9.253 1.00 63.32 H new ATOM 0 HD21 ASN A 28 15.170 -5.155 10.962 1.00 13.03 H new ATOM 0 HD22 ASN A 28 14.567 -3.513 11.209 1.00 13.03 H new ATOM 490 N GLU A 29 11.971 -2.836 5.620 1.00 12.30 N ATOM 491 CA GLU A 29 10.697 -3.202 5.013 1.00 72.13 C ATOM 492 C GLU A 29 10.911 -4.107 3.802 1.00 1.45 C ATOM 493 O GLU A 29 12.014 -4.189 3.262 1.00 3.24 O ATOM 494 CB GLU A 29 9.926 -1.948 4.596 1.00 52.13 C ATOM 495 CG GLU A 29 8.734 -1.641 5.487 1.00 22.43 C ATOM 496 CD GLU A 29 7.675 -0.817 4.782 1.00 11.22 C ATOM 497 OE1 GLU A 29 8.046 0.134 4.062 1.00 71.30 O ATOM 498 OE2 GLU A 29 6.476 -1.121 4.950 1.00 33.45 O ATOM 0 H GLU A 29 12.543 -2.209 5.055 1.00 12.30 H new ATOM 0 HA GLU A 29 10.114 -3.748 5.755 1.00 72.13 H new ATOM 0 HB2 GLU A 29 10.605 -1.095 4.605 1.00 52.13 H new ATOM 0 HB3 GLU A 29 9.580 -2.069 3.570 1.00 52.13 H new ATOM 0 HG2 GLU A 29 8.292 -2.576 5.831 1.00 22.43 H new ATOM 0 HG3 GLU A 29 9.076 -1.105 6.373 1.00 22.43 H new ATOM 505 N VAL A 30 9.848 -4.784 3.382 1.00 72.40 N ATOM 506 CA VAL A 30 9.918 -5.683 2.236 1.00 40.23 C ATOM 507 C VAL A 30 9.404 -5.002 0.972 1.00 64.31 C ATOM 508 O VAL A 30 8.463 -4.211 1.020 1.00 43.14 O ATOM 509 CB VAL A 30 9.106 -6.968 2.480 1.00 73.53 C ATOM 510 CG1 VAL A 30 7.621 -6.709 2.275 1.00 70.21 C ATOM 511 CG2 VAL A 30 9.591 -8.086 1.568 1.00 11.33 C ATOM 0 H VAL A 30 8.928 -4.727 3.818 1.00 72.40 H new ATOM 0 HA VAL A 30 10.967 -5.946 2.103 1.00 40.23 H new ATOM 0 HB VAL A 30 9.257 -7.281 3.513 1.00 73.53 H new ATOM 0 HG11 VAL A 30 7.063 -7.629 2.452 1.00 70.21 H new ATOM 0 HG12 VAL A 30 7.286 -5.942 2.973 1.00 70.21 H new ATOM 0 HG13 VAL A 30 7.448 -6.371 1.253 1.00 70.21 H new ATOM 0 HG21 VAL A 30 9.006 -8.987 1.754 1.00 11.33 H new ATOM 0 HG22 VAL A 30 9.472 -7.784 0.527 1.00 11.33 H new ATOM 0 HG23 VAL A 30 10.643 -8.289 1.769 1.00 11.33 H new ATOM 521 N ALA A 31 10.029 -5.317 -0.158 1.00 40.43 N ATOM 522 CA ALA A 31 9.634 -4.737 -1.436 1.00 74.51 C ATOM 523 C ALA A 31 9.487 -5.815 -2.505 1.00 54.01 C ATOM 524 O ALA A 31 10.465 -6.454 -2.894 1.00 52.23 O ATOM 525 CB ALA A 31 10.645 -3.689 -1.876 1.00 71.31 C ATOM 0 H ALA A 31 10.810 -5.970 -0.214 1.00 40.43 H new ATOM 0 HA ALA A 31 8.664 -4.257 -1.305 1.00 74.51 H new ATOM 0 HB1 ALA A 31 10.337 -3.265 -2.832 1.00 71.31 H new ATOM 0 HB2 ALA A 31 10.698 -2.898 -1.128 1.00 71.31 H new ATOM 0 HB3 ALA A 31 11.626 -4.152 -1.984 1.00 71.31 H new ATOM 531 N ILE A 32 8.259 -6.012 -2.975 1.00 65.01 N ATOM 532 CA ILE A 32 7.986 -7.012 -3.999 1.00 72.24 C ATOM 533 C ILE A 32 8.024 -6.396 -5.394 1.00 24.02 C ATOM 534 O ILE A 32 7.174 -5.578 -5.747 1.00 23.44 O ATOM 535 CB ILE A 32 6.615 -7.679 -3.783 1.00 35.11 C ATOM 536 CG1 ILE A 32 6.570 -8.372 -2.419 1.00 54.05 C ATOM 537 CG2 ILE A 32 6.327 -8.673 -4.898 1.00 61.31 C ATOM 538 CD1 ILE A 32 5.449 -7.882 -1.529 1.00 41.23 C ATOM 0 H ILE A 32 7.439 -5.492 -2.663 1.00 65.01 H new ATOM 0 HA ILE A 32 8.767 -7.768 -3.917 1.00 72.24 H new ATOM 0 HB ILE A 32 5.845 -6.908 -3.804 1.00 35.11 H new ATOM 0 HG12 ILE A 32 6.460 -9.446 -2.570 1.00 54.05 H new ATOM 0 HG13 ILE A 32 7.521 -8.217 -1.910 1.00 54.05 H new ATOM 0 HG21 ILE A 32 5.354 -9.136 -4.731 1.00 61.31 H new ATOM 0 HG22 ILE A 32 6.322 -8.153 -5.856 1.00 61.31 H new ATOM 0 HG23 ILE A 32 7.098 -9.443 -4.907 1.00 61.31 H new ATOM 0 HD11 ILE A 32 5.478 -8.417 -0.580 1.00 41.23 H new ATOM 0 HD12 ILE A 32 5.569 -6.814 -1.348 1.00 41.23 H new ATOM 0 HD13 ILE A 32 4.491 -8.062 -2.018 1.00 41.23 H new ATOM 550 N PHE A 33 9.016 -6.795 -6.184 1.00 34.22 N ATOM 551 CA PHE A 33 9.165 -6.283 -7.541 1.00 21.00 C ATOM 552 C PHE A 33 8.812 -7.354 -8.569 1.00 34.25 C ATOM 553 O PHE A 33 9.507 -8.361 -8.695 1.00 62.41 O ATOM 554 CB PHE A 33 10.597 -5.794 -7.769 1.00 52.14 C ATOM 555 CG PHE A 33 11.096 -4.875 -6.691 1.00 35.10 C ATOM 556 CD1 PHE A 33 10.266 -3.905 -6.150 1.00 63.54 C ATOM 557 CD2 PHE A 33 12.393 -4.981 -6.217 1.00 63.35 C ATOM 558 CE1 PHE A 33 10.723 -3.058 -5.159 1.00 22.34 C ATOM 559 CE2 PHE A 33 12.856 -4.137 -5.225 1.00 74.14 C ATOM 560 CZ PHE A 33 12.019 -3.175 -4.695 1.00 31.04 C ATOM 0 H PHE A 33 9.728 -7.471 -5.908 1.00 34.22 H new ATOM 0 HA PHE A 33 8.478 -5.446 -7.664 1.00 21.00 H new ATOM 0 HB2 PHE A 33 11.260 -6.656 -7.836 1.00 52.14 H new ATOM 0 HB3 PHE A 33 10.648 -5.278 -8.728 1.00 52.14 H new ATOM 0 HD1 PHE A 33 9.251 -3.811 -6.507 1.00 63.54 H new ATOM 0 HD2 PHE A 33 13.051 -5.733 -6.628 1.00 63.35 H new ATOM 0 HE1 PHE A 33 10.068 -2.305 -4.747 1.00 22.34 H new ATOM 0 HE2 PHE A 33 13.870 -4.230 -4.865 1.00 74.14 H new ATOM 0 HZ PHE A 33 12.377 -2.515 -3.919 1.00 31.04 H new ATOM 570 N MET A 34 7.725 -7.129 -9.300 1.00 12.34 N ATOM 571 CA MET A 34 7.279 -8.074 -10.317 1.00 13.24 C ATOM 572 C MET A 34 8.014 -7.843 -11.633 1.00 53.22 C ATOM 573 O MET A 34 8.062 -6.722 -12.140 1.00 4.21 O ATOM 574 CB MET A 34 5.769 -7.949 -10.533 1.00 4.52 C ATOM 575 CG MET A 34 5.094 -9.266 -10.878 1.00 54.41 C ATOM 576 SD MET A 34 3.294 -9.156 -10.833 1.00 44.21 S ATOM 577 CE MET A 34 3.015 -8.894 -9.083 1.00 71.13 C ATOM 0 H MET A 34 7.137 -6.301 -9.207 1.00 12.34 H new ATOM 0 HA MET A 34 7.506 -9.081 -9.967 1.00 13.24 H new ATOM 0 HB2 MET A 34 5.313 -7.542 -9.630 1.00 4.52 H new ATOM 0 HB3 MET A 34 5.583 -7.234 -11.334 1.00 4.52 H new ATOM 0 HG2 MET A 34 5.410 -9.583 -11.872 1.00 54.41 H new ATOM 0 HG3 MET A 34 5.425 -10.034 -10.179 1.00 54.41 H new ATOM 0 HE1 MET A 34 2.120 -8.288 -8.944 1.00 71.13 H new ATOM 0 HE2 MET A 34 2.882 -9.856 -8.588 1.00 71.13 H new ATOM 0 HE3 MET A 34 3.873 -8.379 -8.651 1.00 71.13 H new ATOM 587 N PHE A 35 8.584 -8.910 -12.182 1.00 45.12 N ATOM 588 CA PHE A 35 9.318 -8.823 -13.439 1.00 42.34 C ATOM 589 C PHE A 35 8.800 -9.848 -14.444 1.00 0.12 C ATOM 590 O PHE A 35 8.752 -11.043 -14.157 1.00 21.44 O ATOM 591 CB PHE A 35 10.813 -9.039 -13.198 1.00 25.31 C ATOM 592 CG PHE A 35 11.146 -10.414 -12.692 1.00 10.35 C ATOM 593 CD1 PHE A 35 10.896 -10.760 -11.373 1.00 45.14 C ATOM 594 CD2 PHE A 35 11.709 -11.359 -13.534 1.00 34.33 C ATOM 595 CE1 PHE A 35 11.201 -12.024 -10.904 1.00 51.02 C ATOM 596 CE2 PHE A 35 12.015 -12.625 -13.070 1.00 53.14 C ATOM 597 CZ PHE A 35 11.762 -12.957 -11.754 1.00 33.32 C ATOM 0 H PHE A 35 8.552 -9.845 -11.776 1.00 45.12 H new ATOM 0 HA PHE A 35 9.164 -7.826 -13.852 1.00 42.34 H new ATOM 0 HB2 PHE A 35 11.352 -8.863 -14.129 1.00 25.31 H new ATOM 0 HB3 PHE A 35 11.168 -8.300 -12.479 1.00 25.31 H new ATOM 0 HD1 PHE A 35 10.458 -10.034 -10.704 1.00 45.14 H new ATOM 0 HD2 PHE A 35 11.911 -11.104 -14.564 1.00 34.33 H new ATOM 0 HE1 PHE A 35 11.001 -12.282 -9.874 1.00 51.02 H new ATOM 0 HE2 PHE A 35 12.452 -13.354 -13.737 1.00 53.14 H new ATOM 0 HZ PHE A 35 12.002 -13.945 -11.390 1.00 33.32 H new ATOM 607 N GLU A 36 8.413 -9.370 -15.622 1.00 52.33 N ATOM 608 CA GLU A 36 7.897 -10.244 -16.669 1.00 32.34 C ATOM 609 C GLU A 36 8.846 -10.283 -17.862 1.00 64.55 C ATOM 610 O GLU A 36 8.631 -11.030 -18.817 1.00 52.14 O ATOM 611 CB GLU A 36 6.512 -9.775 -17.120 1.00 0.14 C ATOM 612 CG GLU A 36 6.532 -8.456 -17.874 1.00 22.11 C ATOM 613 CD GLU A 36 6.522 -8.644 -19.379 1.00 33.35 C ATOM 614 OE1 GLU A 36 5.434 -8.899 -19.936 1.00 54.33 O ATOM 615 OE2 GLU A 36 7.601 -8.538 -19.998 1.00 14.31 O ATOM 0 H GLU A 36 8.447 -8.383 -15.875 1.00 52.33 H new ATOM 0 HA GLU A 36 7.816 -11.250 -16.258 1.00 32.34 H new ATOM 0 HB2 GLU A 36 6.068 -10.541 -17.756 1.00 0.14 H new ATOM 0 HB3 GLU A 36 5.869 -9.674 -16.246 1.00 0.14 H new ATOM 0 HG2 GLU A 36 5.667 -7.861 -17.580 1.00 22.11 H new ATOM 0 HG3 GLU A 36 7.420 -7.892 -17.588 1.00 22.11 H new ATOM 622 N VAL A 37 9.899 -9.473 -17.801 1.00 75.31 N ATOM 623 CA VAL A 37 10.882 -9.415 -18.876 1.00 1.22 C ATOM 624 C VAL A 37 11.913 -10.529 -18.738 1.00 61.45 C ATOM 625 O VAL A 37 12.102 -11.084 -17.657 1.00 64.50 O ATOM 626 CB VAL A 37 11.610 -8.057 -18.897 1.00 74.35 C ATOM 627 CG1 VAL A 37 12.411 -7.901 -20.181 1.00 75.01 C ATOM 628 CG2 VAL A 37 10.615 -6.918 -18.738 1.00 13.40 C ATOM 0 H VAL A 37 10.093 -8.848 -17.018 1.00 75.31 H new ATOM 0 HA VAL A 37 10.337 -9.542 -19.811 1.00 1.22 H new ATOM 0 HB VAL A 37 12.304 -8.023 -18.057 1.00 74.35 H new ATOM 0 HG11 VAL A 37 12.918 -6.936 -20.178 1.00 75.01 H new ATOM 0 HG12 VAL A 37 13.150 -8.699 -20.248 1.00 75.01 H new ATOM 0 HG13 VAL A 37 11.739 -7.955 -21.038 1.00 75.01 H new ATOM 0 HG21 VAL A 37 11.146 -5.966 -18.755 1.00 13.40 H new ATOM 0 HG22 VAL A 37 9.895 -6.947 -19.556 1.00 13.40 H new ATOM 0 HG23 VAL A 37 10.090 -7.024 -17.789 1.00 13.40 H new ATOM 638 N GLY A 38 12.579 -10.852 -19.843 1.00 74.25 N ATOM 639 CA GLY A 38 13.583 -11.899 -19.825 1.00 62.32 C ATOM 640 C GLY A 38 14.793 -11.528 -18.990 1.00 54.02 C ATOM 641 O GLY A 38 15.639 -12.374 -18.702 1.00 5.43 O ATOM 0 H GLY A 38 12.441 -10.407 -20.750 1.00 74.25 H new ATOM 0 HA2 GLY A 38 13.141 -12.815 -19.432 1.00 62.32 H new ATOM 0 HA3 GLY A 38 13.901 -12.111 -20.846 1.00 62.32 H new ATOM 645 N ASP A 39 14.875 -10.260 -18.602 1.00 71.15 N ATOM 646 CA ASP A 39 15.990 -9.778 -17.796 1.00 63.10 C ATOM 647 C ASP A 39 15.759 -10.074 -16.317 1.00 44.14 C ATOM 648 O ASP A 39 15.347 -9.199 -15.556 1.00 32.14 O ATOM 649 CB ASP A 39 16.186 -8.275 -18.004 1.00 32.52 C ATOM 650 CG ASP A 39 17.167 -7.968 -19.118 1.00 3.04 C ATOM 651 OD1 ASP A 39 16.941 -8.434 -20.254 1.00 71.20 O ATOM 652 OD2 ASP A 39 18.161 -7.260 -18.853 1.00 65.41 O ATOM 0 H ASP A 39 14.182 -9.548 -18.833 1.00 71.15 H new ATOM 0 HA ASP A 39 16.891 -10.301 -18.117 1.00 63.10 H new ATOM 0 HB2 ASP A 39 15.225 -7.814 -18.233 1.00 32.52 H new ATOM 0 HB3 ASP A 39 16.542 -7.826 -17.077 1.00 32.52 H new ATOM 657 N PHE A 40 16.027 -11.313 -15.918 1.00 44.32 N ATOM 658 CA PHE A 40 15.847 -11.725 -14.531 1.00 51.20 C ATOM 659 C PHE A 40 17.143 -11.561 -13.742 1.00 73.21 C ATOM 660 O PHE A 40 17.131 -11.513 -12.512 1.00 44.21 O ATOM 661 CB PHE A 40 15.377 -13.180 -14.466 1.00 2.41 C ATOM 662 CG PHE A 40 15.436 -13.888 -15.789 1.00 30.20 C ATOM 663 CD1 PHE A 40 16.642 -14.354 -16.287 1.00 72.33 C ATOM 664 CD2 PHE A 40 14.285 -14.088 -16.535 1.00 2.25 C ATOM 665 CE1 PHE A 40 16.699 -15.007 -17.504 1.00 64.13 C ATOM 666 CE2 PHE A 40 14.337 -14.740 -17.752 1.00 35.32 C ATOM 667 CZ PHE A 40 15.545 -15.199 -18.238 1.00 22.41 C ATOM 0 H PHE A 40 16.370 -12.049 -16.536 1.00 44.32 H new ATOM 0 HA PHE A 40 15.087 -11.085 -14.084 1.00 51.20 H new ATOM 0 HB2 PHE A 40 15.992 -13.720 -13.746 1.00 2.41 H new ATOM 0 HB3 PHE A 40 14.353 -13.206 -14.094 1.00 2.41 H new ATOM 0 HD1 PHE A 40 17.548 -14.205 -15.718 1.00 72.33 H new ATOM 0 HD2 PHE A 40 13.337 -13.730 -16.161 1.00 2.25 H new ATOM 0 HE1 PHE A 40 17.645 -15.367 -17.881 1.00 64.13 H new ATOM 0 HE2 PHE A 40 13.433 -14.891 -18.323 1.00 35.32 H new ATOM 0 HZ PHE A 40 15.587 -15.707 -19.190 1.00 22.41 H new ATOM 677 N SER A 41 18.259 -11.477 -14.459 1.00 74.13 N ATOM 678 CA SER A 41 19.564 -11.323 -13.827 1.00 72.44 C ATOM 679 C SER A 41 19.759 -9.896 -13.324 1.00 61.43 C ATOM 680 O SER A 41 20.644 -9.628 -12.513 1.00 64.43 O ATOM 681 CB SER A 41 20.677 -11.686 -14.812 1.00 52.25 C ATOM 682 OG SER A 41 21.196 -10.528 -15.444 1.00 22.15 O ATOM 0 H SER A 41 18.286 -11.513 -15.478 1.00 74.13 H new ATOM 0 HA SER A 41 19.609 -11.999 -12.974 1.00 72.44 H new ATOM 0 HB2 SER A 41 21.477 -12.207 -14.286 1.00 52.25 H new ATOM 0 HB3 SER A 41 20.291 -12.373 -15.565 1.00 52.25 H new ATOM 0 HG SER A 41 21.907 -10.786 -16.067 1.00 22.15 H new ATOM 688 N ASN A 42 18.925 -8.984 -13.812 1.00 72.25 N ATOM 689 CA ASN A 42 19.005 -7.584 -13.414 1.00 1.34 C ATOM 690 C ASN A 42 18.269 -7.350 -12.098 1.00 53.31 C ATOM 691 O ASN A 42 18.569 -6.406 -11.366 1.00 43.14 O ATOM 692 CB ASN A 42 18.419 -6.686 -14.506 1.00 20.44 C ATOM 693 CG ASN A 42 19.488 -5.917 -15.257 1.00 41.20 C ATOM 694 OD1 ASN A 42 20.577 -6.432 -15.511 1.00 72.21 O ATOM 695 ND2 ASN A 42 19.181 -4.676 -15.616 1.00 41.33 N ATOM 0 H ASN A 42 18.186 -9.190 -14.484 1.00 72.25 H new ATOM 0 HA ASN A 42 20.056 -7.332 -13.272 1.00 1.34 H new ATOM 0 HB2 ASN A 42 17.853 -7.296 -15.209 1.00 20.44 H new ATOM 0 HB3 ASN A 42 17.717 -5.983 -14.057 1.00 20.44 H new ATOM 0 HD21 ASN A 42 19.860 -4.109 -16.123 1.00 41.33 H new ATOM 0 HD22 ASN A 42 18.266 -4.290 -15.384 1.00 41.33 H new ATOM 702 N ILE A 43 17.304 -8.215 -11.804 1.00 63.02 N ATOM 703 CA ILE A 43 16.527 -8.104 -10.576 1.00 54.45 C ATOM 704 C ILE A 43 17.431 -7.866 -9.372 1.00 65.12 C ATOM 705 O ILE A 43 17.294 -6.882 -8.646 1.00 10.34 O ATOM 706 CB ILE A 43 15.682 -9.367 -10.328 1.00 71.24 C ATOM 707 CG1 ILE A 43 14.328 -9.248 -11.031 1.00 62.45 C ATOM 708 CG2 ILE A 43 15.492 -9.593 -8.836 1.00 13.41 C ATOM 709 CD1 ILE A 43 13.454 -8.146 -10.476 1.00 73.13 C ATOM 0 H ILE A 43 17.042 -9.000 -12.400 1.00 63.02 H new ATOM 0 HA ILE A 43 15.861 -7.250 -10.701 1.00 54.45 H new ATOM 0 HB ILE A 43 16.210 -10.226 -10.741 1.00 71.24 H new ATOM 0 HG12 ILE A 43 14.494 -9.069 -12.093 1.00 62.45 H new ATOM 0 HG13 ILE A 43 13.799 -10.197 -10.947 1.00 62.45 H new ATOM 0 HG21 ILE A 43 14.893 -10.489 -8.677 1.00 13.41 H new ATOM 0 HG22 ILE A 43 16.465 -9.718 -8.360 1.00 13.41 H new ATOM 0 HG23 ILE A 43 14.982 -8.734 -8.400 1.00 13.41 H new ATOM 0 HD11 ILE A 43 12.511 -8.120 -11.022 1.00 73.13 H new ATOM 0 HD12 ILE A 43 13.257 -8.334 -9.421 1.00 73.13 H new ATOM 0 HD13 ILE A 43 13.963 -7.188 -10.585 1.00 73.13 H new ATOM 721 N PRO A 44 18.381 -8.788 -9.155 1.00 44.20 N ATOM 722 CA PRO A 44 19.330 -8.700 -8.041 1.00 11.42 C ATOM 723 C PRO A 44 20.333 -7.566 -8.222 1.00 45.01 C ATOM 724 O PRO A 44 21.030 -7.183 -7.282 1.00 64.30 O ATOM 725 CB PRO A 44 20.042 -10.054 -8.073 1.00 72.30 C ATOM 726 CG PRO A 44 19.922 -10.512 -9.486 1.00 4.51 C ATOM 727 CD PRO A 44 18.603 -9.987 -9.981 1.00 1.32 C ATOM 0 HA PRO A 44 18.830 -8.489 -7.096 1.00 11.42 H new ATOM 0 HB2 PRO A 44 21.086 -9.959 -7.775 1.00 72.30 H new ATOM 0 HB3 PRO A 44 19.577 -10.762 -7.387 1.00 72.30 H new ATOM 0 HG2 PRO A 44 20.745 -10.132 -10.091 1.00 4.51 H new ATOM 0 HG3 PRO A 44 19.957 -11.600 -9.548 1.00 4.51 H new ATOM 0 HD2 PRO A 44 18.641 -9.742 -11.042 1.00 1.32 H new ATOM 0 HD3 PRO A 44 17.805 -10.718 -9.851 1.00 1.32 H new ATOM 735 N LYS A 45 20.402 -7.031 -9.437 1.00 22.54 N ATOM 736 CA LYS A 45 21.319 -5.940 -9.742 1.00 3.22 C ATOM 737 C LYS A 45 20.747 -4.603 -9.280 1.00 61.31 C ATOM 738 O LYS A 45 21.491 -3.670 -8.978 1.00 32.22 O ATOM 739 CB LYS A 45 21.606 -5.892 -11.244 1.00 71.14 C ATOM 740 CG LYS A 45 23.040 -5.520 -11.578 1.00 62.45 C ATOM 741 CD LYS A 45 23.102 -4.339 -12.532 1.00 4.44 C ATOM 742 CE LYS A 45 24.477 -4.209 -13.170 1.00 11.02 C ATOM 743 NZ LYS A 45 25.285 -3.133 -12.532 1.00 62.02 N ATOM 0 H LYS A 45 19.833 -7.336 -10.227 1.00 22.54 H new ATOM 0 HA LYS A 45 22.251 -6.121 -9.206 1.00 3.22 H new ATOM 0 HB2 LYS A 45 21.381 -6.866 -11.680 1.00 71.14 H new ATOM 0 HB3 LYS A 45 20.934 -5.171 -11.711 1.00 71.14 H new ATOM 0 HG2 LYS A 45 23.577 -5.277 -10.661 1.00 62.45 H new ATOM 0 HG3 LYS A 45 23.544 -6.377 -12.025 1.00 62.45 H new ATOM 0 HD2 LYS A 45 22.348 -4.459 -13.310 1.00 4.44 H new ATOM 0 HD3 LYS A 45 22.861 -3.422 -11.994 1.00 4.44 H new ATOM 0 HE2 LYS A 45 25.007 -5.158 -13.088 1.00 11.02 H new ATOM 0 HE3 LYS A 45 24.365 -3.997 -14.233 1.00 11.02 H new ATOM 0 HZ1 LYS A 45 26.215 -3.076 -12.995 1.00 62.02 H new ATOM 0 HZ2 LYS A 45 24.792 -2.223 -12.632 1.00 62.02 H new ATOM 0 HZ3 LYS A 45 25.413 -3.348 -11.523 1.00 62.02 H new ATOM 757 N SER A 46 19.422 -4.519 -9.227 1.00 14.12 N ATOM 758 CA SER A 46 18.750 -3.296 -8.804 1.00 0.32 C ATOM 759 C SER A 46 18.955 -3.051 -7.312 1.00 31.42 C ATOM 760 O SER A 46 19.425 -1.990 -6.904 1.00 44.24 O ATOM 761 CB SER A 46 17.255 -3.375 -9.119 1.00 11.44 C ATOM 762 OG SER A 46 16.990 -4.375 -10.086 1.00 74.41 O ATOM 0 H SER A 46 18.792 -5.283 -9.472 1.00 14.12 H new ATOM 0 HA SER A 46 19.186 -2.462 -9.354 1.00 0.32 H new ATOM 0 HB2 SER A 46 16.699 -3.590 -8.207 1.00 11.44 H new ATOM 0 HB3 SER A 46 16.906 -2.409 -9.485 1.00 11.44 H new ATOM 0 HG SER A 46 16.917 -5.247 -9.644 1.00 74.41 H new ATOM 768 N ALA A 47 18.598 -4.043 -6.502 1.00 11.21 N ATOM 769 CA ALA A 47 18.744 -3.938 -5.055 1.00 51.34 C ATOM 770 C ALA A 47 20.188 -3.637 -4.670 1.00 2.21 C ATOM 771 O ALA A 47 20.450 -3.051 -3.620 1.00 22.32 O ATOM 772 CB ALA A 47 18.272 -5.218 -4.383 1.00 31.31 C ATOM 0 H ALA A 47 18.206 -4.928 -6.823 1.00 11.21 H new ATOM 0 HA ALA A 47 18.124 -3.110 -4.711 1.00 51.34 H new ATOM 0 HB1 ALA A 47 18.387 -5.126 -3.303 1.00 31.31 H new ATOM 0 HB2 ALA A 47 17.223 -5.389 -4.623 1.00 31.31 H new ATOM 0 HB3 ALA A 47 18.868 -6.058 -4.741 1.00 31.31 H new ATOM 778 N GLU A 48 21.121 -4.042 -5.526 1.00 2.11 N ATOM 779 CA GLU A 48 22.539 -3.816 -5.272 1.00 63.24 C ATOM 780 C GLU A 48 22.913 -2.360 -5.533 1.00 5.13 C ATOM 781 O GLU A 48 23.874 -1.842 -4.962 1.00 34.33 O ATOM 782 CB GLU A 48 23.390 -4.737 -6.150 1.00 31.34 C ATOM 783 CG GLU A 48 24.847 -4.807 -5.725 1.00 43.44 C ATOM 784 CD GLU A 48 25.800 -4.451 -6.850 1.00 52.52 C ATOM 785 OE1 GLU A 48 26.108 -3.251 -7.008 1.00 51.53 O ATOM 786 OE2 GLU A 48 26.237 -5.371 -7.572 1.00 53.22 O ATOM 0 H GLU A 48 20.921 -4.528 -6.400 1.00 2.11 H new ATOM 0 HA GLU A 48 22.735 -4.042 -4.224 1.00 63.24 H new ATOM 0 HB2 GLU A 48 22.965 -5.741 -6.128 1.00 31.34 H new ATOM 0 HB3 GLU A 48 23.338 -4.391 -7.182 1.00 31.34 H new ATOM 0 HG2 GLU A 48 25.010 -4.129 -4.887 1.00 43.44 H new ATOM 0 HG3 GLU A 48 25.070 -5.813 -5.369 1.00 43.44 H new ATOM 793 N PHE A 49 22.148 -1.704 -6.399 1.00 65.54 N ATOM 794 CA PHE A 49 22.400 -0.308 -6.737 1.00 74.35 C ATOM 795 C PHE A 49 22.303 0.577 -5.499 1.00 0.15 C ATOM 796 O PHE A 49 22.885 1.661 -5.451 1.00 14.41 O ATOM 797 CB PHE A 49 21.405 0.169 -7.798 1.00 31.42 C ATOM 798 CG PHE A 49 22.054 0.874 -8.954 1.00 52.31 C ATOM 799 CD1 PHE A 49 22.427 2.204 -8.850 1.00 4.55 C ATOM 800 CD2 PHE A 49 22.291 0.207 -10.145 1.00 55.53 C ATOM 801 CE1 PHE A 49 23.024 2.856 -9.912 1.00 51.23 C ATOM 802 CE2 PHE A 49 22.887 0.854 -11.211 1.00 61.04 C ATOM 803 CZ PHE A 49 23.255 2.180 -11.094 1.00 62.12 C ATOM 0 H PHE A 49 21.348 -2.117 -6.880 1.00 65.54 H new ATOM 0 HA PHE A 49 23.411 -0.233 -7.137 1.00 74.35 H new ATOM 0 HB2 PHE A 49 20.847 -0.689 -8.173 1.00 31.42 H new ATOM 0 HB3 PHE A 49 20.683 0.840 -7.332 1.00 31.42 H new ATOM 0 HD1 PHE A 49 22.249 2.738 -7.928 1.00 4.55 H new ATOM 0 HD2 PHE A 49 22.007 -0.830 -10.242 1.00 55.53 H new ATOM 0 HE1 PHE A 49 23.310 3.893 -9.818 1.00 51.23 H new ATOM 0 HE2 PHE A 49 23.065 0.323 -12.135 1.00 61.04 H new ATOM 0 HZ PHE A 49 23.722 2.687 -11.925 1.00 62.12 H new ATOM 813 N ILE A 50 21.564 0.107 -4.499 1.00 43.21 N ATOM 814 CA ILE A 50 21.392 0.855 -3.260 1.00 53.30 C ATOM 815 C ILE A 50 22.636 0.761 -2.383 1.00 52.22 C ATOM 816 O ILE A 50 23.377 1.732 -2.236 1.00 44.20 O ATOM 817 CB ILE A 50 20.175 0.350 -2.462 1.00 25.41 C ATOM 818 CG1 ILE A 50 18.915 0.397 -3.327 1.00 54.13 C ATOM 819 CG2 ILE A 50 19.989 1.177 -1.199 1.00 43.51 C ATOM 820 CD1 ILE A 50 18.481 1.801 -3.688 1.00 25.13 C ATOM 0 H ILE A 50 21.075 -0.788 -4.523 1.00 43.21 H new ATOM 0 HA ILE A 50 21.226 1.895 -3.540 1.00 53.30 H new ATOM 0 HB ILE A 50 20.354 -0.685 -2.171 1.00 25.41 H new ATOM 0 HG12 ILE A 50 19.092 -0.167 -4.243 1.00 54.13 H new ATOM 0 HG13 ILE A 50 18.102 -0.101 -2.798 1.00 54.13 H new ATOM 0 HG21 ILE A 50 19.125 0.808 -0.646 1.00 43.51 H new ATOM 0 HG22 ILE A 50 20.880 1.096 -0.576 1.00 43.51 H new ATOM 0 HG23 ILE A 50 19.828 2.221 -1.468 1.00 43.51 H new ATOM 0 HD11 ILE A 50 17.581 1.757 -4.302 1.00 25.13 H new ATOM 0 HD12 ILE A 50 18.272 2.363 -2.778 1.00 25.13 H new ATOM 0 HD13 ILE A 50 19.277 2.296 -4.245 1.00 25.13 H new ATOM 832 N GLN A 51 22.858 -0.415 -1.805 1.00 0.30 N ATOM 833 CA GLN A 51 24.013 -0.636 -0.944 1.00 5.45 C ATOM 834 C GLN A 51 24.547 -2.056 -1.101 1.00 55.22 C ATOM 835 O GLN A 51 23.788 -3.024 -1.044 1.00 43.21 O ATOM 836 CB GLN A 51 23.644 -0.376 0.518 1.00 74.41 C ATOM 837 CG GLN A 51 24.684 0.434 1.274 1.00 13.32 C ATOM 838 CD GLN A 51 25.907 -0.383 1.641 1.00 13.22 C ATOM 839 OE1 GLN A 51 26.785 -0.615 0.810 1.00 74.33 O ATOM 840 NE2 GLN A 51 25.971 -0.824 2.892 1.00 12.21 N ATOM 0 H GLN A 51 22.253 -1.229 -1.917 1.00 0.30 H new ATOM 0 HA GLN A 51 24.795 0.061 -1.244 1.00 5.45 H new ATOM 0 HB2 GLN A 51 22.690 0.149 0.555 1.00 74.41 H new ATOM 0 HB3 GLN A 51 23.502 -1.331 1.023 1.00 74.41 H new ATOM 0 HG2 GLN A 51 24.990 1.285 0.665 1.00 13.32 H new ATOM 0 HG3 GLN A 51 24.235 0.837 2.182 1.00 13.32 H new ATOM 0 HE21 GLN A 51 25.220 -0.608 3.548 1.00 12.21 H new ATOM 0 HE22 GLN A 51 26.771 -1.379 3.197 1.00 12.21 H new ATOM 849 N SER A 52 25.856 -2.173 -1.300 1.00 55.43 N ATOM 850 CA SER A 52 26.490 -3.475 -1.471 1.00 14.34 C ATOM 851 C SER A 52 26.114 -4.415 -0.329 1.00 63.14 C ATOM 852 O SER A 52 26.014 -5.628 -0.516 1.00 11.02 O ATOM 853 CB SER A 52 28.010 -3.320 -1.540 1.00 1.10 C ATOM 854 OG SER A 52 28.505 -2.635 -0.402 1.00 64.44 O ATOM 0 H SER A 52 26.498 -1.382 -1.347 1.00 55.43 H new ATOM 0 HA SER A 52 26.134 -3.906 -2.406 1.00 14.34 H new ATOM 0 HB2 SER A 52 28.476 -4.303 -1.608 1.00 1.10 H new ATOM 0 HB3 SER A 52 28.282 -2.775 -2.444 1.00 1.10 H new ATOM 0 HG SER A 52 27.837 -1.987 -0.094 1.00 64.44 H new ATOM 860 N LYS A 53 25.908 -3.847 0.854 1.00 51.44 N ATOM 861 CA LYS A 53 25.542 -4.631 2.027 1.00 63.41 C ATOM 862 C LYS A 53 24.234 -4.131 2.630 1.00 12.11 C ATOM 863 O LYS A 53 24.168 -3.023 3.162 1.00 74.35 O ATOM 864 CB LYS A 53 26.656 -4.569 3.075 1.00 70.33 C ATOM 865 CG LYS A 53 27.578 -5.776 3.055 1.00 61.04 C ATOM 866 CD LYS A 53 29.038 -5.361 2.972 1.00 34.33 C ATOM 867 CE LYS A 53 29.905 -6.186 3.911 1.00 0.31 C ATOM 868 NZ LYS A 53 30.398 -7.431 3.261 1.00 72.34 N ATOM 0 H LYS A 53 25.988 -2.845 1.026 1.00 51.44 H new ATOM 0 HA LYS A 53 25.404 -5.666 1.713 1.00 63.41 H new ATOM 0 HB2 LYS A 53 27.247 -3.668 2.912 1.00 70.33 H new ATOM 0 HB3 LYS A 53 26.208 -4.481 4.065 1.00 70.33 H new ATOM 0 HG2 LYS A 53 27.419 -6.372 3.954 1.00 61.04 H new ATOM 0 HG3 LYS A 53 27.330 -6.410 2.204 1.00 61.04 H new ATOM 0 HD2 LYS A 53 29.394 -5.479 1.948 1.00 34.33 H new ATOM 0 HD3 LYS A 53 29.132 -4.304 3.222 1.00 34.33 H new ATOM 0 HE2 LYS A 53 30.754 -5.588 4.241 1.00 0.31 H new ATOM 0 HE3 LYS A 53 29.332 -6.444 4.802 1.00 0.31 H new ATOM 0 HZ1 LYS A 53 30.985 -7.965 3.934 1.00 72.34 H new ATOM 0 HZ2 LYS A 53 29.588 -8.014 2.969 1.00 72.34 H new ATOM 0 HZ3 LYS A 53 30.966 -7.185 2.425 1.00 72.34 H new ATOM 882 N GLY A 54 23.194 -4.956 2.545 1.00 3.31 N ATOM 883 CA GLY A 54 21.902 -4.579 3.088 1.00 22.10 C ATOM 884 C GLY A 54 20.751 -5.246 2.362 1.00 63.53 C ATOM 885 O GLY A 54 19.846 -5.796 2.990 1.00 22.41 O ATOM 0 H GLY A 54 23.224 -5.878 2.110 1.00 3.31 H new ATOM 0 HA2 GLY A 54 21.864 -4.845 4.144 1.00 22.10 H new ATOM 0 HA3 GLY A 54 21.788 -3.497 3.027 1.00 22.10 H new ATOM 889 N HIS A 55 20.784 -5.198 1.034 1.00 54.43 N ATOM 890 CA HIS A 55 19.734 -5.802 0.221 1.00 50.44 C ATOM 891 C HIS A 55 19.842 -7.323 0.236 1.00 25.34 C ATOM 892 O HIS A 55 20.845 -7.887 -0.201 1.00 32.42 O ATOM 893 CB HIS A 55 19.814 -5.288 -1.217 1.00 42.22 C ATOM 894 CG HIS A 55 21.031 -5.756 -1.954 1.00 5.15 C ATOM 895 ND1 HIS A 55 22.302 -5.300 -1.673 1.00 43.13 N ATOM 896 CD2 HIS A 55 21.167 -6.646 -2.964 1.00 22.42 C ATOM 897 CE1 HIS A 55 23.167 -5.888 -2.480 1.00 72.35 C ATOM 898 NE2 HIS A 55 22.504 -6.711 -3.273 1.00 54.32 N ATOM 0 H HIS A 55 21.526 -4.747 0.498 1.00 54.43 H new ATOM 0 HA HIS A 55 18.771 -5.520 0.647 1.00 50.44 H new ATOM 0 HB2 HIS A 55 18.925 -5.610 -1.759 1.00 42.22 H new ATOM 0 HB3 HIS A 55 19.803 -4.198 -1.206 1.00 42.22 H new ATOM 0 HD1 HIS A 55 22.537 -4.616 -0.954 1.00 43.13 H new ATOM 0 HD2 HIS A 55 20.372 -7.202 -3.439 1.00 22.42 H new ATOM 0 HE1 HIS A 55 24.234 -5.724 -2.490 1.00 72.35 H new ATOM 906 N GLU A 56 18.804 -7.981 0.744 1.00 43.32 N ATOM 907 CA GLU A 56 18.785 -9.437 0.817 1.00 1.15 C ATOM 908 C GLU A 56 17.455 -9.990 0.314 1.00 14.45 C ATOM 909 O GLU A 56 16.395 -9.680 0.860 1.00 15.01 O ATOM 910 CB GLU A 56 19.032 -9.900 2.255 1.00 73.33 C ATOM 911 CG GLU A 56 20.035 -11.036 2.364 1.00 5.34 C ATOM 912 CD GLU A 56 19.370 -12.390 2.517 1.00 42.21 C ATOM 913 OE1 GLU A 56 18.234 -12.552 2.026 1.00 53.31 O ATOM 914 OE2 GLU A 56 19.987 -13.288 3.127 1.00 2.24 O ATOM 0 H GLU A 56 17.966 -7.529 1.111 1.00 43.32 H new ATOM 0 HA GLU A 56 19.581 -9.818 0.178 1.00 1.15 H new ATOM 0 HB2 GLU A 56 19.388 -9.055 2.844 1.00 73.33 H new ATOM 0 HB3 GLU A 56 18.086 -10.218 2.693 1.00 73.33 H new ATOM 0 HG2 GLU A 56 20.667 -11.044 1.476 1.00 5.34 H new ATOM 0 HG3 GLU A 56 20.688 -10.858 3.218 1.00 5.34 H new ATOM 921 N LEU A 57 17.518 -10.809 -0.729 1.00 51.24 N ATOM 922 CA LEU A 57 16.319 -11.405 -1.308 1.00 32.23 C ATOM 923 C LEU A 57 15.862 -12.611 -0.492 1.00 4.51 C ATOM 924 O LEU A 57 16.431 -13.698 -0.599 1.00 41.12 O ATOM 925 CB LEU A 57 16.581 -11.825 -2.755 1.00 42.42 C ATOM 926 CG LEU A 57 16.804 -10.688 -3.753 1.00 53.15 C ATOM 927 CD1 LEU A 57 15.731 -9.622 -3.596 1.00 55.24 C ATOM 928 CD2 LEU A 57 18.189 -10.084 -3.574 1.00 13.33 C ATOM 0 H LEU A 57 18.387 -11.076 -1.192 1.00 51.24 H new ATOM 0 HA LEU A 57 15.527 -10.656 -1.291 1.00 32.23 H new ATOM 0 HB2 LEU A 57 17.457 -12.473 -2.771 1.00 42.42 H new ATOM 0 HB3 LEU A 57 15.736 -12.422 -3.098 1.00 42.42 H new ATOM 0 HG LEU A 57 16.736 -11.097 -4.761 1.00 53.15 H new ATOM 0 HD11 LEU A 57 15.906 -8.821 -4.314 1.00 55.24 H new ATOM 0 HD12 LEU A 57 14.751 -10.063 -3.776 1.00 55.24 H new ATOM 0 HD13 LEU A 57 15.766 -9.217 -2.585 1.00 55.24 H new ATOM 0 HD21 LEU A 57 18.330 -9.277 -4.293 1.00 13.33 H new ATOM 0 HD22 LEU A 57 18.286 -9.690 -2.562 1.00 13.33 H new ATOM 0 HD23 LEU A 57 18.945 -10.852 -3.739 1.00 13.33 H new ATOM 940 N LEU A 58 14.832 -12.411 0.322 1.00 74.30 N ATOM 941 CA LEU A 58 14.296 -13.483 1.155 1.00 3.40 C ATOM 942 C LEU A 58 14.056 -14.744 0.332 1.00 60.10 C ATOM 943 O LEU A 58 14.335 -15.854 0.783 1.00 13.05 O ATOM 944 CB LEU A 58 12.992 -13.036 1.818 1.00 30.41 C ATOM 945 CG LEU A 58 13.038 -12.857 3.336 1.00 51.41 C ATOM 946 CD1 LEU A 58 12.061 -11.777 3.775 1.00 31.13 C ATOM 947 CD2 LEU A 58 12.734 -14.172 4.038 1.00 13.23 C ATOM 0 H LEU A 58 14.351 -11.517 0.424 1.00 74.30 H new ATOM 0 HA LEU A 58 15.030 -13.711 1.928 1.00 3.40 H new ATOM 0 HB2 LEU A 58 12.685 -12.091 1.370 1.00 30.41 H new ATOM 0 HB3 LEU A 58 12.218 -13.767 1.582 1.00 30.41 H new ATOM 0 HG LEU A 58 14.044 -12.544 3.616 1.00 51.41 H new ATOM 0 HD11 LEU A 58 12.107 -11.663 4.858 1.00 31.13 H new ATOM 0 HD12 LEU A 58 12.325 -10.832 3.299 1.00 31.13 H new ATOM 0 HD13 LEU A 58 11.050 -12.060 3.483 1.00 31.13 H new ATOM 0 HD21 LEU A 58 12.771 -14.025 5.117 1.00 13.23 H new ATOM 0 HD22 LEU A 58 11.740 -14.515 3.753 1.00 13.23 H new ATOM 0 HD23 LEU A 58 13.473 -14.919 3.748 1.00 13.23 H new ATOM 959 N ASN A 59 13.539 -14.565 -0.879 1.00 52.32 N ATOM 960 CA ASN A 59 13.263 -15.689 -1.766 1.00 53.35 C ATOM 961 C ASN A 59 13.775 -15.408 -3.176 1.00 1.22 C ATOM 962 O ASN A 59 13.242 -14.553 -3.882 1.00 54.44 O ATOM 963 CB ASN A 59 11.761 -15.977 -1.806 1.00 34.21 C ATOM 964 CG ASN A 59 11.460 -17.455 -1.964 1.00 73.12 C ATOM 965 OD1 ASN A 59 10.711 -17.855 -2.855 1.00 73.45 O ATOM 966 ND2 ASN A 59 12.044 -18.274 -1.097 1.00 51.21 N ATOM 0 H ASN A 59 13.303 -13.652 -1.269 1.00 52.32 H new ATOM 0 HA ASN A 59 13.784 -16.563 -1.376 1.00 53.35 H new ATOM 0 HB2 ASN A 59 11.299 -15.611 -0.889 1.00 34.21 H new ATOM 0 HB3 ASN A 59 11.310 -15.427 -2.632 1.00 34.21 H new ATOM 0 HD21 ASN A 59 11.879 -19.279 -1.154 1.00 51.21 H new ATOM 0 HD22 ASN A 59 12.658 -17.898 -0.374 1.00 51.21 H new ATOM 973 N SER A 60 14.813 -16.134 -3.578 1.00 71.40 N ATOM 974 CA SER A 60 15.400 -15.962 -4.902 1.00 11.33 C ATOM 975 C SER A 60 14.318 -15.936 -5.977 1.00 33.33 C ATOM 976 O SER A 60 13.515 -16.864 -6.088 1.00 53.31 O ATOM 977 CB SER A 60 16.396 -17.086 -5.192 1.00 4.25 C ATOM 978 OG SER A 60 16.293 -17.525 -6.535 1.00 3.11 O ATOM 0 H SER A 60 15.265 -16.847 -3.006 1.00 71.40 H new ATOM 0 HA SER A 60 15.926 -15.007 -4.917 1.00 11.33 H new ATOM 0 HB2 SER A 60 17.410 -16.737 -4.997 1.00 4.25 H new ATOM 0 HB3 SER A 60 16.212 -17.922 -4.518 1.00 4.25 H new ATOM 0 HG SER A 60 16.941 -18.242 -6.695 1.00 3.11 H new ATOM 984 N LEU A 61 14.302 -14.868 -6.766 1.00 63.24 N ATOM 985 CA LEU A 61 13.319 -14.720 -7.834 1.00 1.01 C ATOM 986 C LEU A 61 13.192 -16.009 -8.640 1.00 44.52 C ATOM 987 O LEU A 61 14.191 -16.578 -9.080 1.00 44.34 O ATOM 988 CB LEU A 61 13.709 -13.564 -8.756 1.00 42.24 C ATOM 989 CG LEU A 61 14.990 -13.756 -9.569 1.00 24.15 C ATOM 990 CD1 LEU A 61 15.038 -12.777 -10.731 1.00 55.21 C ATOM 991 CD2 LEU A 61 16.215 -13.591 -8.680 1.00 72.30 C ATOM 0 H LEU A 61 14.958 -14.091 -6.687 1.00 63.24 H new ATOM 0 HA LEU A 61 12.353 -14.502 -7.378 1.00 1.01 H new ATOM 0 HB2 LEU A 61 12.887 -13.385 -9.448 1.00 42.24 H new ATOM 0 HB3 LEU A 61 13.818 -12.664 -8.151 1.00 42.24 H new ATOM 0 HG LEU A 61 14.992 -14.768 -9.974 1.00 24.15 H new ATOM 0 HD11 LEU A 61 15.957 -12.929 -11.297 1.00 55.21 H new ATOM 0 HD12 LEU A 61 14.179 -12.942 -11.382 1.00 55.21 H new ATOM 0 HD13 LEU A 61 15.013 -11.757 -10.348 1.00 55.21 H new ATOM 0 HD21 LEU A 61 17.118 -13.731 -9.275 1.00 72.30 H new ATOM 0 HD22 LEU A 61 16.218 -12.591 -8.246 1.00 72.30 H new ATOM 0 HD23 LEU A 61 16.188 -14.333 -7.882 1.00 72.30 H new ATOM 1003 N ARG A 62 11.958 -16.462 -8.832 1.00 12.24 N ATOM 1004 CA ARG A 62 11.701 -17.682 -9.586 1.00 75.51 C ATOM 1005 C ARG A 62 11.550 -17.380 -11.074 1.00 72.31 C ATOM 1006 O ARG A 62 10.494 -17.616 -11.663 1.00 24.55 O ATOM 1007 CB ARG A 62 10.439 -18.373 -9.065 1.00 20.23 C ATOM 1008 CG ARG A 62 10.465 -19.885 -9.217 1.00 63.24 C ATOM 1009 CD ARG A 62 11.275 -20.543 -8.111 1.00 41.10 C ATOM 1010 NE ARG A 62 11.018 -21.978 -8.023 1.00 51.24 N ATOM 1011 CZ ARG A 62 11.492 -22.864 -8.892 1.00 3.10 C ATOM 1012 NH1 ARG A 62 12.245 -22.464 -9.908 1.00 31.03 N ATOM 1013 NH2 ARG A 62 11.215 -24.153 -8.745 1.00 74.01 N ATOM 0 H ARG A 62 11.120 -16.002 -8.476 1.00 12.24 H new ATOM 0 HA ARG A 62 12.554 -18.348 -9.452 1.00 75.51 H new ATOM 0 HB2 ARG A 62 10.308 -18.125 -8.012 1.00 20.23 H new ATOM 0 HB3 ARG A 62 9.573 -17.978 -9.596 1.00 20.23 H new ATOM 0 HG2 ARG A 62 9.446 -20.271 -9.201 1.00 63.24 H new ATOM 0 HG3 ARG A 62 10.890 -20.147 -10.186 1.00 63.24 H new ATOM 0 HD2 ARG A 62 12.337 -20.375 -8.291 1.00 41.10 H new ATOM 0 HD3 ARG A 62 11.035 -20.073 -7.157 1.00 41.10 H new ATOM 0 HE ARG A 62 10.443 -22.319 -7.252 1.00 51.24 H new ATOM 0 HH11 ARG A 62 12.461 -21.474 -10.024 1.00 31.03 H new ATOM 0 HH12 ARG A 62 12.608 -23.146 -10.574 1.00 31.03 H new ATOM 0 HH21 ARG A 62 10.638 -24.465 -7.964 1.00 74.01 H new ATOM 0 HH22 ARG A 62 11.579 -24.832 -9.413 1.00 74.01 H new ATOM 1027 N PHE A 63 12.612 -16.856 -11.677 1.00 30.23 N ATOM 1028 CA PHE A 63 12.598 -16.520 -13.096 1.00 33.14 C ATOM 1029 C PHE A 63 12.443 -17.775 -13.950 1.00 45.22 C ATOM 1030 O PHE A 63 12.029 -18.825 -13.461 1.00 1.30 O ATOM 1031 CB PHE A 63 13.882 -15.782 -13.480 1.00 30.43 C ATOM 1032 CG PHE A 63 15.079 -16.682 -13.593 1.00 61.45 C ATOM 1033 CD1 PHE A 63 15.615 -17.290 -12.469 1.00 40.42 C ATOM 1034 CD2 PHE A 63 15.668 -16.922 -14.825 1.00 0.45 C ATOM 1035 CE1 PHE A 63 16.717 -18.118 -12.571 1.00 50.52 C ATOM 1036 CE2 PHE A 63 16.770 -17.749 -14.933 1.00 30.03 C ATOM 1037 CZ PHE A 63 17.294 -18.349 -13.804 1.00 44.55 C ATOM 0 H PHE A 63 13.493 -16.655 -11.205 1.00 30.23 H new ATOM 0 HA PHE A 63 11.744 -15.868 -13.282 1.00 33.14 H new ATOM 0 HB2 PHE A 63 13.729 -15.273 -14.432 1.00 30.43 H new ATOM 0 HB3 PHE A 63 14.085 -15.012 -12.736 1.00 30.43 H new ATOM 0 HD1 PHE A 63 15.167 -17.115 -11.502 1.00 40.42 H new ATOM 0 HD2 PHE A 63 15.261 -16.457 -15.711 1.00 0.45 H new ATOM 0 HE1 PHE A 63 17.126 -18.584 -11.687 1.00 50.52 H new ATOM 0 HE2 PHE A 63 17.221 -17.926 -15.898 1.00 30.03 H new ATOM 0 HZ PHE A 63 18.154 -18.998 -13.886 1.00 44.55 H new ATOM 1047 N ASN A 64 12.780 -17.656 -15.231 1.00 31.44 N ATOM 1048 CA ASN A 64 12.678 -18.780 -16.155 1.00 20.14 C ATOM 1049 C ASN A 64 11.219 -19.155 -16.396 1.00 60.22 C ATOM 1050 O ASN A 64 10.926 -20.137 -17.078 1.00 13.11 O ATOM 1051 CB ASN A 64 13.443 -19.987 -15.608 1.00 60.45 C ATOM 1052 CG ASN A 64 14.733 -20.244 -16.363 1.00 70.23 C ATOM 1053 OD1 ASN A 64 15.246 -19.364 -17.055 1.00 24.34 O ATOM 1054 ND2 ASN A 64 15.263 -21.455 -16.234 1.00 50.10 N ATOM 0 H ASN A 64 13.126 -16.794 -15.652 1.00 31.44 H new ATOM 0 HA ASN A 64 13.119 -18.479 -17.105 1.00 20.14 H new ATOM 0 HB2 ASN A 64 13.668 -19.824 -14.554 1.00 60.45 H new ATOM 0 HB3 ASN A 64 12.809 -20.872 -15.665 1.00 60.45 H new ATOM 0 HD21 ASN A 64 16.130 -21.687 -16.719 1.00 50.10 H new ATOM 0 HD22 ASN A 64 14.803 -22.153 -15.650 1.00 50.10 H new ATOM 1061 N GLN A 65 10.310 -18.366 -15.833 1.00 32.21 N ATOM 1062 CA GLN A 65 8.882 -18.616 -15.987 1.00 54.02 C ATOM 1063 C GLN A 65 8.114 -17.307 -16.142 1.00 33.34 C ATOM 1064 O GLN A 65 8.708 -16.246 -16.327 1.00 41.10 O ATOM 1065 CB GLN A 65 8.346 -19.397 -14.786 1.00 1.43 C ATOM 1066 CG GLN A 65 7.796 -20.767 -15.147 1.00 12.14 C ATOM 1067 CD GLN A 65 6.344 -20.937 -14.745 1.00 20.23 C ATOM 1068 OE1 GLN A 65 5.485 -21.218 -15.581 1.00 62.42 O ATOM 1069 NE2 GLN A 65 6.062 -20.768 -13.458 1.00 52.43 N ATOM 0 H GLN A 65 10.537 -17.549 -15.266 1.00 32.21 H new ATOM 0 HA GLN A 65 8.738 -19.210 -16.890 1.00 54.02 H new ATOM 0 HB2 GLN A 65 9.146 -19.517 -14.055 1.00 1.43 H new ATOM 0 HB3 GLN A 65 7.560 -18.814 -14.306 1.00 1.43 H new ATOM 0 HG2 GLN A 65 7.892 -20.921 -16.222 1.00 12.14 H new ATOM 0 HG3 GLN A 65 8.396 -21.535 -14.660 1.00 12.14 H new ATOM 0 HE21 GLN A 65 6.805 -20.536 -12.799 1.00 52.43 H new ATOM 0 HE22 GLN A 65 5.102 -20.871 -13.128 1.00 52.43 H new ATOM 1078 N ALA A 66 6.790 -17.391 -16.064 1.00 74.32 N ATOM 1079 CA ALA A 66 5.941 -16.214 -16.194 1.00 14.53 C ATOM 1080 C ALA A 66 6.332 -15.141 -15.183 1.00 11.12 C ATOM 1081 O ALA A 66 7.072 -15.407 -14.236 1.00 64.40 O ATOM 1082 CB ALA A 66 4.478 -16.596 -16.021 1.00 40.32 C ATOM 0 H ALA A 66 6.282 -18.262 -15.911 1.00 74.32 H new ATOM 0 HA ALA A 66 6.082 -15.804 -17.194 1.00 14.53 H new ATOM 0 HB1 ALA A 66 3.856 -15.707 -16.121 1.00 40.32 H new ATOM 0 HB2 ALA A 66 4.199 -17.322 -16.785 1.00 40.32 H new ATOM 0 HB3 ALA A 66 4.330 -17.033 -15.034 1.00 40.32 H new ATOM 1088 N ASP A 67 5.831 -13.928 -15.390 1.00 72.32 N ATOM 1089 CA ASP A 67 6.128 -12.815 -14.496 1.00 72.03 C ATOM 1090 C ASP A 67 6.055 -13.255 -13.037 1.00 73.05 C ATOM 1091 O ASP A 67 4.995 -13.647 -12.550 1.00 33.31 O ATOM 1092 CB ASP A 67 5.155 -11.661 -14.743 1.00 72.13 C ATOM 1093 CG ASP A 67 3.748 -11.980 -14.277 1.00 20.22 C ATOM 1094 OD1 ASP A 67 2.984 -12.581 -15.061 1.00 64.53 O ATOM 1095 OD2 ASP A 67 3.411 -11.629 -13.127 1.00 31.41 O ATOM 0 H ASP A 67 5.217 -13.691 -16.169 1.00 72.32 H new ATOM 0 HA ASP A 67 7.143 -12.475 -14.704 1.00 72.03 H new ATOM 0 HB2 ASP A 67 5.513 -10.771 -14.226 1.00 72.13 H new ATOM 0 HB3 ASP A 67 5.138 -11.426 -15.807 1.00 72.13 H new ATOM 1100 N TRP A 68 7.187 -13.188 -12.347 1.00 44.05 N ATOM 1101 CA TRP A 68 7.252 -13.581 -10.944 1.00 53.33 C ATOM 1102 C TRP A 68 7.429 -12.362 -10.045 1.00 53.15 C ATOM 1103 O TRP A 68 7.439 -11.225 -10.518 1.00 50.23 O ATOM 1104 CB TRP A 68 8.401 -14.566 -10.721 1.00 54.52 C ATOM 1105 CG TRP A 68 8.060 -15.669 -9.766 1.00 20.01 C ATOM 1106 CD1 TRP A 68 8.569 -15.854 -8.512 1.00 52.21 C ATOM 1107 CD2 TRP A 68 7.137 -16.741 -9.989 1.00 1.35 C ATOM 1108 NE1 TRP A 68 8.018 -16.976 -7.942 1.00 14.13 N ATOM 1109 CE2 TRP A 68 7.136 -17.537 -8.827 1.00 33.43 C ATOM 1110 CE3 TRP A 68 6.310 -17.104 -11.055 1.00 2.21 C ATOM 1111 CZ2 TRP A 68 6.341 -18.674 -8.705 1.00 13.22 C ATOM 1112 CZ3 TRP A 68 5.522 -18.232 -10.932 1.00 70.14 C ATOM 1113 CH2 TRP A 68 5.541 -19.006 -9.764 1.00 50.14 C ATOM 0 H TRP A 68 8.073 -12.865 -12.736 1.00 44.05 H new ATOM 0 HA TRP A 68 6.311 -14.067 -10.685 1.00 53.33 H new ATOM 0 HB2 TRP A 68 8.689 -15.000 -11.678 1.00 54.52 H new ATOM 0 HB3 TRP A 68 9.268 -14.023 -10.344 1.00 54.52 H new ATOM 0 HD1 TRP A 68 9.297 -15.213 -8.038 1.00 52.21 H new ATOM 0 HE1 TRP A 68 8.231 -17.333 -7.011 1.00 14.13 H new ATOM 0 HE3 TRP A 68 6.287 -16.513 -11.959 1.00 2.21 H new ATOM 0 HZ2 TRP A 68 6.356 -19.272 -7.806 1.00 13.22 H new ATOM 0 HZ3 TRP A 68 4.880 -18.522 -11.750 1.00 70.14 H new ATOM 0 HH2 TRP A 68 4.912 -19.881 -9.699 1.00 50.14 H new ATOM 1124 N THR A 69 7.568 -12.605 -8.746 1.00 22.41 N ATOM 1125 CA THR A 69 7.744 -11.527 -7.781 1.00 31.41 C ATOM 1126 C THR A 69 8.953 -11.780 -6.888 1.00 64.33 C ATOM 1127 O THR A 69 9.189 -12.907 -6.450 1.00 54.14 O ATOM 1128 CB THR A 69 6.494 -11.356 -6.897 1.00 4.14 C ATOM 1129 OG1 THR A 69 5.819 -12.610 -6.754 1.00 70.43 O ATOM 1130 CG2 THR A 69 5.545 -10.328 -7.494 1.00 64.24 C ATOM 0 H THR A 69 7.562 -13.540 -8.338 1.00 22.41 H new ATOM 0 HA THR A 69 7.904 -10.613 -8.353 1.00 31.41 H new ATOM 0 HB THR A 69 6.815 -11.004 -5.917 1.00 4.14 H new ATOM 0 HG1 THR A 69 5.027 -12.493 -6.189 1.00 70.43 H new ATOM 0 HG21 THR A 69 4.670 -10.225 -6.852 1.00 64.24 H new ATOM 0 HG22 THR A 69 6.053 -9.367 -7.573 1.00 64.24 H new ATOM 0 HG23 THR A 69 5.231 -10.655 -8.485 1.00 64.24 H new ATOM 1138 N ILE A 70 9.717 -10.726 -6.622 1.00 11.02 N ATOM 1139 CA ILE A 70 10.901 -10.835 -5.779 1.00 44.43 C ATOM 1140 C ILE A 70 10.813 -9.894 -4.582 1.00 74.12 C ATOM 1141 O ILE A 70 10.666 -8.682 -4.741 1.00 22.14 O ATOM 1142 CB ILE A 70 12.185 -10.521 -6.570 1.00 23.20 C ATOM 1143 CG1 ILE A 70 13.404 -10.567 -5.645 1.00 54.34 C ATOM 1144 CG2 ILE A 70 12.074 -9.161 -7.243 1.00 24.05 C ATOM 1145 CD1 ILE A 70 13.532 -11.864 -4.878 1.00 70.14 C ATOM 0 H ILE A 70 9.537 -9.787 -6.978 1.00 11.02 H new ATOM 0 HA ILE A 70 10.943 -11.865 -5.426 1.00 44.43 H new ATOM 0 HB ILE A 70 12.311 -11.278 -7.344 1.00 23.20 H new ATOM 0 HG12 ILE A 70 14.306 -10.415 -6.238 1.00 54.34 H new ATOM 0 HG13 ILE A 70 13.344 -9.740 -4.937 1.00 54.34 H new ATOM 0 HG21 ILE A 70 12.989 -8.954 -7.798 1.00 24.05 H new ATOM 0 HG22 ILE A 70 11.226 -9.162 -7.928 1.00 24.05 H new ATOM 0 HG23 ILE A 70 11.927 -8.391 -6.486 1.00 24.05 H new ATOM 0 HD11 ILE A 70 14.417 -11.826 -4.243 1.00 70.14 H new ATOM 0 HD12 ILE A 70 12.647 -12.009 -4.258 1.00 70.14 H new ATOM 0 HD13 ILE A 70 13.624 -12.694 -5.579 1.00 70.14 H new ATOM 1157 N VAL A 71 10.904 -10.461 -3.383 1.00 41.12 N ATOM 1158 CA VAL A 71 10.837 -9.673 -2.158 1.00 62.12 C ATOM 1159 C VAL A 71 12.227 -9.238 -1.708 1.00 43.22 C ATOM 1160 O VAL A 71 13.148 -10.051 -1.624 1.00 74.13 O ATOM 1161 CB VAL A 71 10.165 -10.463 -1.019 1.00 53.53 C ATOM 1162 CG1 VAL A 71 8.668 -10.579 -1.261 1.00 55.54 C ATOM 1163 CG2 VAL A 71 10.799 -11.838 -0.879 1.00 34.24 C ATOM 0 H VAL A 71 11.024 -11.463 -3.234 1.00 41.12 H new ATOM 0 HA VAL A 71 10.238 -8.790 -2.381 1.00 62.12 H new ATOM 0 HB VAL A 71 10.317 -9.921 -0.085 1.00 53.53 H new ATOM 0 HG11 VAL A 71 8.210 -11.140 -0.446 1.00 55.54 H new ATOM 0 HG12 VAL A 71 8.229 -9.583 -1.307 1.00 55.54 H new ATOM 0 HG13 VAL A 71 8.491 -11.098 -2.203 1.00 55.54 H new ATOM 0 HG21 VAL A 71 10.312 -12.382 -0.070 1.00 34.24 H new ATOM 0 HG22 VAL A 71 10.680 -12.390 -1.811 1.00 34.24 H new ATOM 0 HG23 VAL A 71 11.860 -11.728 -0.656 1.00 34.24 H new ATOM 1173 N VAL A 72 12.373 -7.949 -1.419 1.00 10.41 N ATOM 1174 CA VAL A 72 13.651 -7.404 -0.975 1.00 72.24 C ATOM 1175 C VAL A 72 13.521 -6.741 0.391 1.00 11.11 C ATOM 1176 O VAL A 72 12.685 -5.859 0.587 1.00 1.52 O ATOM 1177 CB VAL A 72 14.203 -6.377 -1.982 1.00 21.42 C ATOM 1178 CG1 VAL A 72 15.666 -6.078 -1.691 1.00 13.31 C ATOM 1179 CG2 VAL A 72 14.027 -6.880 -3.407 1.00 34.54 C ATOM 0 H VAL A 72 11.622 -7.262 -1.484 1.00 10.41 H new ATOM 0 HA VAL A 72 14.345 -8.242 -0.904 1.00 72.24 H new ATOM 0 HB VAL A 72 13.639 -5.450 -1.876 1.00 21.42 H new ATOM 0 HG11 VAL A 72 16.039 -5.351 -2.412 1.00 13.31 H new ATOM 0 HG12 VAL A 72 15.761 -5.672 -0.684 1.00 13.31 H new ATOM 0 HG13 VAL A 72 16.247 -6.997 -1.768 1.00 13.31 H new ATOM 0 HG21 VAL A 72 14.422 -6.142 -4.105 1.00 34.54 H new ATOM 0 HG22 VAL A 72 14.565 -7.820 -3.530 1.00 34.54 H new ATOM 0 HG23 VAL A 72 12.968 -7.039 -3.609 1.00 34.54 H new ATOM 1189 N ARG A 73 14.354 -7.171 1.333 1.00 33.42 N ATOM 1190 CA ARG A 73 14.332 -6.620 2.683 1.00 53.35 C ATOM 1191 C ARG A 73 15.473 -5.627 2.883 1.00 64.32 C ATOM 1192 O ARG A 73 16.646 -6.002 2.869 1.00 61.12 O ATOM 1193 CB ARG A 73 14.430 -7.742 3.717 1.00 21.31 C ATOM 1194 CG ARG A 73 15.572 -8.711 3.457 1.00 31.45 C ATOM 1195 CD ARG A 73 16.380 -8.971 4.719 1.00 2.22 C ATOM 1196 NE ARG A 73 15.710 -9.909 5.615 1.00 31.04 N ATOM 1197 CZ ARG A 73 16.231 -10.329 6.763 1.00 70.22 C ATOM 1198 NH1 ARG A 73 17.422 -9.896 7.152 1.00 63.45 N ATOM 1199 NH2 ARG A 73 15.560 -11.184 7.524 1.00 13.11 N ATOM 0 H ARG A 73 15.053 -7.899 1.186 1.00 33.42 H new ATOM 0 HA ARG A 73 13.387 -6.094 2.818 1.00 53.35 H new ATOM 0 HB2 ARG A 73 14.555 -7.303 4.707 1.00 21.31 H new ATOM 0 HB3 ARG A 73 13.491 -8.295 3.731 1.00 21.31 H new ATOM 0 HG2 ARG A 73 15.173 -9.652 3.079 1.00 31.45 H new ATOM 0 HG3 ARG A 73 16.224 -8.307 2.683 1.00 31.45 H new ATOM 0 HD2 ARG A 73 17.359 -9.366 4.447 1.00 2.22 H new ATOM 0 HD3 ARG A 73 16.550 -8.029 5.241 1.00 2.22 H new ATOM 0 HE ARG A 73 14.792 -10.261 5.345 1.00 31.04 H new ATOM 0 HH11 ARG A 73 17.941 -9.239 6.570 1.00 63.45 H new ATOM 0 HH12 ARG A 73 17.819 -10.220 8.034 1.00 63.45 H new ATOM 0 HH21 ARG A 73 14.643 -11.520 7.228 1.00 13.11 H new ATOM 0 HH22 ARG A 73 15.961 -11.506 8.405 1.00 13.11 H new ATOM 1213 N LYS A 74 15.123 -4.359 3.069 1.00 75.45 N ATOM 1214 CA LYS A 74 16.116 -3.312 3.272 1.00 2.05 C ATOM 1215 C LYS A 74 16.860 -3.516 4.589 1.00 72.35 C ATOM 1216 O LYS A 74 16.355 -4.166 5.505 1.00 41.24 O ATOM 1217 CB LYS A 74 15.447 -1.936 3.261 1.00 14.11 C ATOM 1218 CG LYS A 74 15.408 -1.290 1.887 1.00 14.10 C ATOM 1219 CD LYS A 74 15.366 0.226 1.985 1.00 61.15 C ATOM 1220 CE LYS A 74 16.563 0.862 1.294 1.00 72.10 C ATOM 1221 NZ LYS A 74 17.022 2.090 2.000 1.00 41.25 N ATOM 0 H LYS A 74 14.157 -4.032 3.083 1.00 75.45 H new ATOM 0 HA LYS A 74 16.836 -3.366 2.455 1.00 2.05 H new ATOM 0 HB2 LYS A 74 14.428 -2.033 3.637 1.00 14.11 H new ATOM 0 HB3 LYS A 74 15.978 -1.277 3.948 1.00 14.11 H new ATOM 0 HG2 LYS A 74 16.285 -1.594 1.316 1.00 14.10 H new ATOM 0 HG3 LYS A 74 14.533 -1.645 1.342 1.00 14.10 H new ATOM 0 HD2 LYS A 74 14.445 0.596 1.534 1.00 61.15 H new ATOM 0 HD3 LYS A 74 15.349 0.524 3.033 1.00 61.15 H new ATOM 0 HE2 LYS A 74 17.380 0.142 1.248 1.00 72.10 H new ATOM 0 HE3 LYS A 74 16.299 1.111 0.266 1.00 72.10 H new ATOM 0 HZ1 LYS A 74 17.839 2.494 1.499 1.00 41.25 H new ATOM 0 HZ2 LYS A 74 16.250 2.787 2.022 1.00 41.25 H new ATOM 0 HZ3 LYS A 74 17.298 1.848 2.973 1.00 41.25 H new ATOM 1235 N LYS A 75 18.062 -2.957 4.677 1.00 53.42 N ATOM 1236 CA LYS A 75 18.874 -3.074 5.882 1.00 65.55 C ATOM 1237 C LYS A 75 20.180 -2.299 5.735 1.00 30.31 C ATOM 1238 O LYS A 75 20.444 -1.701 4.692 1.00 30.44 O ATOM 1239 CB LYS A 75 19.173 -4.546 6.178 1.00 1.22 C ATOM 1240 CG LYS A 75 18.743 -4.986 7.567 1.00 50.22 C ATOM 1241 CD LYS A 75 19.936 -5.380 8.421 1.00 11.04 C ATOM 1242 CE LYS A 75 19.528 -5.636 9.864 1.00 12.32 C ATOM 1243 NZ LYS A 75 19.810 -4.462 10.737 1.00 75.14 N ATOM 0 H LYS A 75 18.496 -2.418 3.927 1.00 53.42 H new ATOM 0 HA LYS A 75 18.311 -2.649 6.713 1.00 65.55 H new ATOM 0 HB2 LYS A 75 18.669 -5.167 5.437 1.00 1.22 H new ATOM 0 HB3 LYS A 75 20.243 -4.721 6.066 1.00 1.22 H new ATOM 0 HG2 LYS A 75 18.198 -4.177 8.053 1.00 50.22 H new ATOM 0 HG3 LYS A 75 18.057 -5.830 7.487 1.00 50.22 H new ATOM 0 HD2 LYS A 75 20.400 -6.276 8.009 1.00 11.04 H new ATOM 0 HD3 LYS A 75 20.685 -4.589 8.388 1.00 11.04 H new ATOM 0 HE2 LYS A 75 18.465 -5.871 9.904 1.00 12.32 H new ATOM 0 HE3 LYS A 75 20.062 -6.507 10.243 1.00 12.32 H new ATOM 0 HZ1 LYS A 75 19.518 -4.676 11.712 1.00 75.14 H new ATOM 0 HZ2 LYS A 75 20.829 -4.253 10.719 1.00 75.14 H new ATOM 0 HZ3 LYS A 75 19.281 -3.637 10.390 1.00 75.14 H new ATOM 1257 N ALA A 76 20.994 -2.315 6.786 1.00 75.41 N ATOM 1258 CA ALA A 76 22.273 -1.617 6.772 1.00 31.02 C ATOM 1259 C ALA A 76 23.102 -2.013 5.555 1.00 74.01 C ATOM 1260 O ALA A 76 23.903 -1.223 5.054 1.00 31.10 O ATOM 1261 CB ALA A 76 23.043 -1.902 8.053 1.00 43.20 C ATOM 0 H ALA A 76 20.790 -2.804 7.658 1.00 75.41 H new ATOM 0 HA ALA A 76 22.074 -0.547 6.710 1.00 31.02 H new ATOM 0 HB1 ALA A 76 23.997 -1.374 8.029 1.00 43.20 H new ATOM 0 HB2 ALA A 76 22.462 -1.562 8.910 1.00 43.20 H new ATOM 0 HB3 ALA A 76 23.223 -2.974 8.138 1.00 43.20 H new TER 1267 ALA A 76