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 Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00305) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.0189 (180deg=-0.227) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.0379) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -113:sc= -3.71 (180deg=-8.24!) USER MOD Single : A 26 GLN : amide:sc= -0.356 K(o=-0.36,f=-1.4) USER MOD Single : A 28 ASN : amide:sc= 0.426 X(o=0.43,f=0) USER MOD Single : A 34 MET CE :methyl 147:sc= -0.375 (180deg=-1.82!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 86:sc= 1.03 USER MOD Single : A 51 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.6) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-3.5) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.3) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00634 USER MOD Single : A 74 LYS NZ :NH3+ -156:sc= 0.806 (180deg=-0.0974) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.448 0.332 -0.515 1.00 61.34 N ATOM 2 CA MET A 1 2.261 0.460 -1.720 1.00 33.55 C ATOM 3 C MET A 1 3.723 0.143 -1.424 1.00 44.24 C ATOM 4 O MET A 1 4.580 1.027 -1.460 1.00 70.11 O ATOM 5 CB MET A 1 2.138 1.871 -2.296 1.00 3.53 C ATOM 6 CG MET A 1 2.254 2.967 -1.249 1.00 2.34 C ATOM 7 SD MET A 1 2.368 4.613 -1.976 1.00 12.44 S ATOM 8 CE MET A 1 4.102 4.978 -1.718 1.00 44.22 C ATOM 0 H1 MET A 1 0.520 0.773 -0.674 1.00 61.34 H new ATOM 0 H2 MET A 1 1.319 -0.675 -0.289 1.00 61.34 H new ATOM 0 H3 MET A 1 1.925 0.806 0.278 1.00 61.34 H new ATOM 0 HA MET A 1 1.894 -0.257 -2.455 1.00 33.55 H new ATOM 0 HB2 MET A 1 2.912 2.016 -3.049 1.00 3.53 H new ATOM 0 HB3 MET A 1 1.178 1.965 -2.804 1.00 3.53 H new ATOM 0 HG2 MET A 1 1.389 2.925 -0.588 1.00 2.34 H new ATOM 0 HG3 MET A 1 3.135 2.784 -0.633 1.00 2.34 H new ATOM 0 HE1 MET A 1 4.321 5.981 -2.084 1.00 44.22 H new ATOM 0 HE2 MET A 1 4.331 4.922 -0.654 1.00 44.22 H new ATOM 0 HE3 MET A 1 4.711 4.254 -2.259 1.00 44.22 H new ATOM 18 N LYS A 2 4.003 -1.122 -1.132 1.00 62.54 N ATOM 19 CA LYS A 2 5.362 -1.556 -0.832 1.00 23.43 C ATOM 20 C LYS A 2 5.872 -2.525 -1.894 1.00 73.21 C ATOM 21 O LYS A 2 6.701 -3.390 -1.612 1.00 44.03 O ATOM 22 CB LYS A 2 5.415 -2.220 0.546 1.00 33.31 C ATOM 23 CG LYS A 2 4.258 -3.169 0.809 1.00 70.15 C ATOM 24 CD LYS A 2 4.301 -3.724 2.223 1.00 43.54 C ATOM 25 CE LYS A 2 3.743 -5.137 2.284 1.00 11.04 C ATOM 26 NZ LYS A 2 3.158 -5.444 3.619 1.00 75.22 N ATOM 0 H LYS A 2 3.306 -1.866 -1.097 1.00 62.54 H new ATOM 0 HA LYS A 2 6.005 -0.676 -0.830 1.00 23.43 H new ATOM 0 HB2 LYS A 2 6.352 -2.768 0.640 1.00 33.31 H new ATOM 0 HB3 LYS A 2 5.420 -1.446 1.313 1.00 33.31 H new ATOM 0 HG2 LYS A 2 3.315 -2.646 0.651 1.00 70.15 H new ATOM 0 HG3 LYS A 2 4.291 -3.991 0.094 1.00 70.15 H new ATOM 0 HD2 LYS A 2 5.329 -3.722 2.585 1.00 43.54 H new ATOM 0 HD3 LYS A 2 3.728 -3.076 2.887 1.00 43.54 H new ATOM 0 HE2 LYS A 2 2.980 -5.260 1.516 1.00 11.04 H new ATOM 0 HE3 LYS A 2 4.536 -5.851 2.062 1.00 11.04 H new ATOM 0 HZ1 LYS A 2 2.788 -6.416 3.621 1.00 75.22 H new ATOM 0 HZ2 LYS A 2 3.893 -5.352 4.349 1.00 75.22 H new ATOM 0 HZ3 LYS A 2 2.384 -4.779 3.820 1.00 75.22 H new ATOM 40 N ARG A 3 5.371 -2.374 -3.116 1.00 14.43 N ATOM 41 CA ARG A 3 5.776 -3.235 -4.220 1.00 34.11 C ATOM 42 C ARG A 3 5.888 -2.440 -5.517 1.00 52.32 C ATOM 43 O ARG A 3 5.299 -1.367 -5.653 1.00 2.12 O ATOM 44 CB ARG A 3 4.775 -4.379 -4.396 1.00 23.24 C ATOM 45 CG ARG A 3 3.384 -3.916 -4.794 1.00 53.43 C ATOM 46 CD ARG A 3 2.442 -3.890 -3.601 1.00 32.22 C ATOM 47 NE ARG A 3 1.403 -4.912 -3.701 1.00 62.13 N ATOM 48 CZ ARG A 3 0.387 -5.013 -2.852 1.00 21.42 C ATOM 49 NH1 ARG A 3 0.273 -4.159 -1.844 1.00 44.03 N ATOM 50 NH2 ARG A 3 -0.518 -5.971 -3.009 1.00 53.55 N ATOM 0 H ARG A 3 4.684 -1.663 -3.366 1.00 14.43 H new ATOM 0 HA ARG A 3 6.755 -3.651 -3.983 1.00 34.11 H new ATOM 0 HB2 ARG A 3 5.151 -5.066 -5.155 1.00 23.24 H new ATOM 0 HB3 ARG A 3 4.709 -4.939 -3.463 1.00 23.24 H new ATOM 0 HG2 ARG A 3 3.443 -2.920 -5.234 1.00 53.43 H new ATOM 0 HG3 ARG A 3 2.984 -4.580 -5.560 1.00 53.43 H new ATOM 0 HD2 ARG A 3 3.013 -4.042 -2.685 1.00 32.22 H new ATOM 0 HD3 ARG A 3 1.977 -2.907 -3.527 1.00 32.22 H new ATOM 0 HE ARG A 3 1.461 -5.585 -4.465 1.00 62.13 H new ATOM 0 HH11 ARG A 3 0.967 -3.422 -1.719 1.00 44.03 H new ATOM 0 HH12 ARG A 3 -0.509 -4.239 -1.194 1.00 44.03 H new ATOM 0 HH21 ARG A 3 -0.433 -6.631 -3.782 1.00 53.55 H new ATOM 0 HH22 ARG A 3 -1.298 -6.048 -2.356 1.00 53.55 H new ATOM 64 N PHE A 4 6.648 -2.973 -6.468 1.00 51.41 N ATOM 65 CA PHE A 4 6.839 -2.312 -7.754 1.00 71.11 C ATOM 66 C PHE A 4 6.538 -3.267 -8.906 1.00 15.51 C ATOM 67 O PHE A 4 7.211 -4.283 -9.076 1.00 74.20 O ATOM 68 CB PHE A 4 8.271 -1.786 -7.874 1.00 32.52 C ATOM 69 CG PHE A 4 8.348 -0.355 -8.321 1.00 5.31 C ATOM 70 CD1 PHE A 4 7.603 0.625 -7.685 1.00 74.20 C ATOM 71 CD2 PHE A 4 9.168 0.012 -9.377 1.00 34.15 C ATOM 72 CE1 PHE A 4 7.672 1.943 -8.095 1.00 73.21 C ATOM 73 CE2 PHE A 4 9.241 1.329 -9.791 1.00 21.43 C ATOM 74 CZ PHE A 4 8.493 2.295 -9.148 1.00 52.43 C ATOM 0 H PHE A 4 7.142 -3.861 -6.373 1.00 51.41 H new ATOM 0 HA PHE A 4 6.145 -1.473 -7.809 1.00 71.11 H new ATOM 0 HB2 PHE A 4 8.768 -1.884 -6.909 1.00 32.52 H new ATOM 0 HB3 PHE A 4 8.820 -2.409 -8.580 1.00 32.52 H new ATOM 0 HD1 PHE A 4 6.961 0.356 -6.859 1.00 74.20 H new ATOM 0 HD2 PHE A 4 9.757 -0.740 -9.882 1.00 34.15 H new ATOM 0 HE1 PHE A 4 7.084 2.697 -7.592 1.00 73.21 H new ATOM 0 HE2 PHE A 4 9.882 1.602 -10.616 1.00 21.43 H new ATOM 0 HZ PHE A 4 8.550 3.325 -9.468 1.00 52.43 H new ATOM 84 N ASP A 5 5.521 -2.932 -9.693 1.00 44.42 N ATOM 85 CA ASP A 5 5.130 -3.758 -10.829 1.00 50.45 C ATOM 86 C ASP A 5 5.845 -3.308 -12.100 1.00 21.31 C ATOM 87 O ASP A 5 5.375 -2.416 -12.807 1.00 71.23 O ATOM 88 CB ASP A 5 3.615 -3.697 -11.033 1.00 64.35 C ATOM 89 CG ASP A 5 2.951 -5.046 -10.840 1.00 70.23 C ATOM 90 OD1 ASP A 5 2.950 -5.850 -11.796 1.00 52.15 O ATOM 91 OD2 ASP A 5 2.433 -5.299 -9.733 1.00 11.34 O ATOM 0 H ASP A 5 4.953 -2.095 -9.565 1.00 44.42 H new ATOM 0 HA ASP A 5 5.420 -4.787 -10.616 1.00 50.45 H new ATOM 0 HB2 ASP A 5 3.185 -2.980 -10.333 1.00 64.35 H new ATOM 0 HB3 ASP A 5 3.401 -3.330 -12.037 1.00 64.35 H new ATOM 96 N LEU A 6 6.984 -3.931 -12.383 1.00 1.40 N ATOM 97 CA LEU A 6 7.766 -3.594 -13.568 1.00 74.30 C ATOM 98 C LEU A 6 7.263 -4.361 -14.787 1.00 52.54 C ATOM 99 O LEU A 6 7.855 -4.290 -15.865 1.00 14.24 O ATOM 100 CB LEU A 6 9.245 -3.903 -13.332 1.00 1.01 C ATOM 101 CG LEU A 6 9.995 -2.934 -12.417 1.00 30.54 C ATOM 102 CD1 LEU A 6 9.823 -1.502 -12.899 1.00 34.51 C ATOM 103 CD2 LEU A 6 9.513 -3.077 -10.980 1.00 64.12 C ATOM 0 H LEU A 6 7.386 -4.672 -11.809 1.00 1.40 H new ATOM 0 HA LEU A 6 7.650 -2.527 -13.759 1.00 74.30 H new ATOM 0 HB2 LEU A 6 9.323 -4.905 -12.910 1.00 1.01 H new ATOM 0 HB3 LEU A 6 9.750 -3.924 -14.298 1.00 1.01 H new ATOM 0 HG LEU A 6 11.056 -3.181 -12.450 1.00 30.54 H new ATOM 0 HD11 LEU A 6 10.364 -0.827 -12.235 1.00 34.51 H new ATOM 0 HD12 LEU A 6 10.217 -1.409 -13.911 1.00 34.51 H new ATOM 0 HD13 LEU A 6 8.764 -1.242 -12.897 1.00 34.51 H new ATOM 0 HD21 LEU A 6 10.057 -2.380 -10.343 1.00 64.12 H new ATOM 0 HD22 LEU A 6 8.447 -2.857 -10.930 1.00 64.12 H new ATOM 0 HD23 LEU A 6 9.690 -4.096 -10.637 1.00 64.12 H new ATOM 115 N ARG A 7 6.166 -5.091 -14.610 1.00 44.53 N ATOM 116 CA ARG A 7 5.583 -5.869 -15.696 1.00 63.04 C ATOM 117 C ARG A 7 5.423 -5.016 -16.952 1.00 22.25 C ATOM 118 O ARG A 7 5.986 -5.309 -18.007 1.00 1.13 O ATOM 119 CB ARG A 7 4.226 -6.435 -15.275 1.00 21.11 C ATOM 120 CG ARG A 7 4.204 -7.951 -15.172 1.00 71.43 C ATOM 121 CD ARG A 7 3.133 -8.429 -14.204 1.00 11.41 C ATOM 122 NE ARG A 7 1.895 -8.787 -14.890 1.00 73.15 N ATOM 123 CZ ARG A 7 0.916 -9.484 -14.324 1.00 52.03 C ATOM 124 NH1 ARG A 7 1.030 -9.895 -13.069 1.00 1.31 N ATOM 125 NH2 ARG A 7 -0.181 -9.771 -15.014 1.00 42.22 N ATOM 0 H ARG A 7 5.664 -5.160 -13.725 1.00 44.53 H new ATOM 0 HA ARG A 7 6.259 -6.694 -15.922 1.00 63.04 H new ATOM 0 HB2 ARG A 7 3.948 -6.010 -14.311 1.00 21.11 H new ATOM 0 HB3 ARG A 7 3.470 -6.117 -15.993 1.00 21.11 H new ATOM 0 HG2 ARG A 7 4.023 -8.381 -16.157 1.00 71.43 H new ATOM 0 HG3 ARG A 7 5.180 -8.308 -14.842 1.00 71.43 H new ATOM 0 HD2 ARG A 7 3.504 -9.292 -13.651 1.00 11.41 H new ATOM 0 HD3 ARG A 7 2.929 -7.646 -13.474 1.00 11.41 H new ATOM 0 HE ARG A 7 1.775 -8.485 -15.857 1.00 73.15 H new ATOM 0 HH11 ARG A 7 1.871 -9.676 -12.535 1.00 1.31 H new ATOM 0 HH12 ARG A 7 0.277 -10.430 -12.637 1.00 1.31 H new ATOM 0 HH21 ARG A 7 -0.273 -9.456 -15.980 1.00 42.22 H new ATOM 0 HH22 ARG A 7 -0.932 -10.306 -14.578 1.00 42.22 H new ATOM 139 N PRO A 8 4.637 -3.936 -16.837 1.00 12.32 N ATOM 140 CA PRO A 8 4.384 -3.018 -17.952 1.00 62.50 C ATOM 141 C PRO A 8 5.618 -2.202 -18.322 1.00 71.42 C ATOM 142 O PRO A 8 5.629 -1.499 -19.333 1.00 63.14 O ATOM 143 CB PRO A 8 3.279 -2.104 -17.416 1.00 64.53 C ATOM 144 CG PRO A 8 3.440 -2.144 -15.936 1.00 10.23 C ATOM 145 CD PRO A 8 3.934 -3.526 -15.609 1.00 40.03 C ATOM 0 HA PRO A 8 4.111 -3.550 -18.864 1.00 62.50 H new ATOM 0 HB2 PRO A 8 3.385 -1.089 -17.799 1.00 64.53 H new ATOM 0 HB3 PRO A 8 2.293 -2.457 -17.717 1.00 64.53 H new ATOM 0 HG2 PRO A 8 4.149 -1.387 -15.600 1.00 10.23 H new ATOM 0 HG3 PRO A 8 2.494 -1.939 -15.435 1.00 10.23 H new ATOM 0 HD2 PRO A 8 4.601 -3.521 -14.747 1.00 40.03 H new ATOM 0 HD3 PRO A 8 3.112 -4.201 -15.372 1.00 40.03 H new ATOM 153 N LEU A 9 6.655 -2.300 -17.498 1.00 63.43 N ATOM 154 CA LEU A 9 7.896 -1.571 -17.740 1.00 35.14 C ATOM 155 C LEU A 9 8.782 -2.318 -18.731 1.00 41.32 C ATOM 156 O LEU A 9 8.554 -3.492 -19.023 1.00 3.02 O ATOM 157 CB LEU A 9 8.649 -1.357 -16.425 1.00 74.53 C ATOM 158 CG LEU A 9 8.845 0.096 -15.993 1.00 10.00 C ATOM 159 CD1 LEU A 9 8.009 0.404 -14.760 1.00 70.14 C ATOM 160 CD2 LEU A 9 10.316 0.379 -15.726 1.00 62.10 C ATOM 0 H LEU A 9 6.662 -2.877 -16.657 1.00 63.43 H new ATOM 0 HA LEU A 9 7.642 -0.601 -18.168 1.00 35.14 H new ATOM 0 HB2 LEU A 9 8.114 -1.881 -15.633 1.00 74.53 H new ATOM 0 HB3 LEU A 9 9.630 -1.825 -16.511 1.00 74.53 H new ATOM 0 HG LEU A 9 8.512 0.744 -16.804 1.00 10.00 H new ATOM 0 HD11 LEU A 9 8.162 1.443 -14.467 1.00 70.14 H new ATOM 0 HD12 LEU A 9 6.955 0.241 -14.985 1.00 70.14 H new ATOM 0 HD13 LEU A 9 8.311 -0.251 -13.943 1.00 70.14 H new ATOM 0 HD21 LEU A 9 10.437 1.418 -15.420 1.00 62.10 H new ATOM 0 HD22 LEU A 9 10.675 -0.277 -14.933 1.00 62.10 H new ATOM 0 HD23 LEU A 9 10.892 0.199 -16.634 1.00 62.10 H new ATOM 172 N LYS A 10 9.796 -1.629 -19.245 1.00 75.35 N ATOM 173 CA LYS A 10 10.720 -2.227 -20.202 1.00 12.31 C ATOM 174 C LYS A 10 12.031 -2.611 -19.524 1.00 43.52 C ATOM 175 O LYS A 10 12.356 -2.107 -18.449 1.00 50.14 O ATOM 176 CB LYS A 10 10.993 -1.256 -21.353 1.00 2.11 C ATOM 177 CG LYS A 10 11.873 -0.081 -20.962 1.00 14.13 C ATOM 178 CD LYS A 10 12.014 0.914 -22.102 1.00 21.43 C ATOM 179 CE LYS A 10 10.937 1.986 -22.042 1.00 44.43 C ATOM 180 NZ LYS A 10 9.839 1.724 -23.013 1.00 11.11 N ATOM 0 H LYS A 10 9.999 -0.656 -19.015 1.00 75.35 H new ATOM 0 HA LYS A 10 10.259 -3.131 -20.600 1.00 12.31 H new ATOM 0 HB2 LYS A 10 11.468 -1.799 -22.170 1.00 2.11 H new ATOM 0 HB3 LYS A 10 10.043 -0.878 -21.731 1.00 2.11 H new ATOM 0 HG2 LYS A 10 11.448 0.419 -20.092 1.00 14.13 H new ATOM 0 HG3 LYS A 10 12.859 -0.444 -20.671 1.00 14.13 H new ATOM 0 HD2 LYS A 10 12.997 1.382 -22.058 1.00 21.43 H new ATOM 0 HD3 LYS A 10 11.953 0.388 -23.055 1.00 21.43 H new ATOM 0 HE2 LYS A 10 10.526 2.032 -21.033 1.00 44.43 H new ATOM 0 HE3 LYS A 10 11.381 2.959 -22.250 1.00 44.43 H new ATOM 0 HZ1 LYS A 10 8.938 2.063 -22.618 1.00 11.11 H new ATOM 0 HZ2 LYS A 10 10.037 2.223 -23.904 1.00 11.11 H new ATOM 0 HZ3 LYS A 10 9.774 0.702 -23.196 1.00 11.11 H new ATOM 194 N ALA A 11 12.782 -3.504 -20.161 1.00 34.04 N ATOM 195 CA ALA A 11 14.059 -3.952 -19.621 1.00 22.15 C ATOM 196 C ALA A 11 15.093 -2.831 -19.654 1.00 72.44 C ATOM 197 O ALA A 11 15.058 -1.968 -20.530 1.00 13.54 O ATOM 198 CB ALA A 11 14.564 -5.162 -20.393 1.00 52.33 C ATOM 0 H ALA A 11 12.527 -3.931 -21.052 1.00 34.04 H new ATOM 0 HA ALA A 11 13.905 -4.238 -18.581 1.00 22.15 H new ATOM 0 HB1 ALA A 11 15.519 -5.486 -19.978 1.00 52.33 H new ATOM 0 HB2 ALA A 11 13.840 -5.973 -20.313 1.00 52.33 H new ATOM 0 HB3 ALA A 11 14.695 -4.896 -21.442 1.00 52.33 H new ATOM 204 N GLY A 12 16.013 -2.852 -18.695 1.00 11.34 N ATOM 205 CA GLY A 12 17.043 -1.831 -18.633 1.00 20.41 C ATOM 206 C GLY A 12 16.668 -0.684 -17.716 1.00 42.23 C ATOM 207 O GLY A 12 17.510 -0.169 -16.980 1.00 10.23 O ATOM 0 H GLY A 12 16.064 -3.557 -17.960 1.00 11.34 H new ATOM 0 HA2 GLY A 12 17.974 -2.279 -18.287 1.00 20.41 H new ATOM 0 HA3 GLY A 12 17.228 -1.445 -19.635 1.00 20.41 H new ATOM 211 N ILE A 13 15.403 -0.281 -17.762 1.00 72.11 N ATOM 212 CA ILE A 13 14.919 0.813 -16.930 1.00 4.34 C ATOM 213 C ILE A 13 14.170 0.287 -15.710 1.00 62.01 C ATOM 214 O ILE A 13 13.981 1.004 -14.727 1.00 62.21 O ATOM 215 CB ILE A 13 13.992 1.755 -17.721 1.00 3.15 C ATOM 216 CG1 ILE A 13 14.682 2.227 -19.002 1.00 72.24 C ATOM 217 CG2 ILE A 13 13.588 2.944 -16.862 1.00 11.21 C ATOM 218 CD1 ILE A 13 13.769 2.996 -19.931 1.00 41.53 C ATOM 0 H ILE A 13 14.694 -0.696 -18.367 1.00 72.11 H new ATOM 0 HA ILE A 13 15.796 1.371 -16.602 1.00 4.34 H new ATOM 0 HB ILE A 13 13.091 1.207 -17.997 1.00 3.15 H new ATOM 0 HG12 ILE A 13 15.531 2.857 -18.737 1.00 72.24 H new ATOM 0 HG13 ILE A 13 15.080 1.361 -19.531 1.00 72.24 H new ATOM 0 HG21 ILE A 13 12.933 3.601 -17.435 1.00 11.21 H new ATOM 0 HG22 ILE A 13 13.062 2.590 -15.975 1.00 11.21 H new ATOM 0 HG23 ILE A 13 14.479 3.494 -16.560 1.00 11.21 H new ATOM 0 HD11 ILE A 13 14.325 3.299 -20.818 1.00 41.53 H new ATOM 0 HD12 ILE A 13 12.932 2.362 -20.226 1.00 41.53 H new ATOM 0 HD13 ILE A 13 13.391 3.881 -19.419 1.00 41.53 H new ATOM 230 N PHE A 14 13.747 -0.971 -15.780 1.00 50.20 N ATOM 231 CA PHE A 14 13.019 -1.595 -14.681 1.00 51.42 C ATOM 232 C PHE A 14 13.936 -1.826 -13.484 1.00 34.24 C ATOM 233 O PHE A 14 13.498 -1.772 -12.335 1.00 32.31 O ATOM 234 CB PHE A 14 12.408 -2.922 -15.135 1.00 22.23 C ATOM 235 CG PHE A 14 13.355 -4.083 -15.033 1.00 22.52 C ATOM 236 CD1 PHE A 14 14.465 -4.164 -15.858 1.00 42.21 C ATOM 237 CD2 PHE A 14 13.135 -5.095 -14.112 1.00 21.20 C ATOM 238 CE1 PHE A 14 15.339 -5.231 -15.767 1.00 10.13 C ATOM 239 CE2 PHE A 14 14.006 -6.164 -14.016 1.00 35.42 C ATOM 240 CZ PHE A 14 15.108 -6.233 -14.845 1.00 21.01 C ATOM 0 H PHE A 14 13.896 -1.578 -16.586 1.00 50.20 H new ATOM 0 HA PHE A 14 12.219 -0.920 -14.378 1.00 51.42 H new ATOM 0 HB2 PHE A 14 11.524 -3.131 -14.533 1.00 22.23 H new ATOM 0 HB3 PHE A 14 12.075 -2.825 -16.168 1.00 22.23 H new ATOM 0 HD1 PHE A 14 14.650 -3.384 -16.581 1.00 42.21 H new ATOM 0 HD2 PHE A 14 12.274 -5.048 -13.462 1.00 21.20 H new ATOM 0 HE1 PHE A 14 16.201 -5.281 -16.416 1.00 10.13 H new ATOM 0 HE2 PHE A 14 13.825 -6.945 -13.293 1.00 35.42 H new ATOM 0 HZ PHE A 14 15.788 -7.069 -14.773 1.00 21.01 H new ATOM 250 N GLU A 15 15.209 -2.085 -13.762 1.00 45.31 N ATOM 251 CA GLU A 15 16.187 -2.326 -12.708 1.00 25.12 C ATOM 252 C GLU A 15 16.703 -1.010 -12.132 1.00 70.13 C ATOM 253 O GLU A 15 17.184 -0.962 -11.000 1.00 41.21 O ATOM 254 CB GLU A 15 17.357 -3.153 -13.246 1.00 41.11 C ATOM 255 CG GLU A 15 18.526 -3.254 -12.281 1.00 20.23 C ATOM 256 CD GLU A 15 19.689 -2.366 -12.678 1.00 22.03 C ATOM 257 OE1 GLU A 15 20.166 -2.490 -13.825 1.00 2.40 O ATOM 258 OE2 GLU A 15 20.122 -1.547 -11.840 1.00 40.22 O ATOM 0 H GLU A 15 15.587 -2.133 -14.708 1.00 45.31 H new ATOM 0 HA GLU A 15 15.694 -2.883 -11.911 1.00 25.12 H new ATOM 0 HB2 GLU A 15 17.003 -4.157 -13.481 1.00 41.11 H new ATOM 0 HB3 GLU A 15 17.705 -2.711 -14.180 1.00 41.11 H new ATOM 0 HG2 GLU A 15 18.191 -2.981 -11.280 1.00 20.23 H new ATOM 0 HG3 GLU A 15 18.864 -4.289 -12.233 1.00 20.23 H new ATOM 265 N ARG A 16 16.599 0.055 -12.921 1.00 21.34 N ATOM 266 CA ARG A 16 17.056 1.371 -12.491 1.00 61.21 C ATOM 267 C ARG A 16 15.988 2.071 -11.656 1.00 41.43 C ATOM 268 O ARG A 16 16.291 2.698 -10.640 1.00 41.21 O ATOM 269 CB ARG A 16 17.415 2.230 -13.704 1.00 45.54 C ATOM 270 CG ARG A 16 18.890 2.182 -14.070 1.00 30.20 C ATOM 271 CD ARG A 16 19.092 2.233 -15.576 1.00 44.33 C ATOM 272 NE ARG A 16 19.907 3.376 -15.980 1.00 62.03 N ATOM 273 CZ ARG A 16 20.260 3.619 -17.238 1.00 15.43 C ATOM 274 NH1 ARG A 16 19.870 2.805 -18.208 1.00 70.34 N ATOM 275 NH2 ARG A 16 21.003 4.680 -17.526 1.00 54.23 N ATOM 0 H ARG A 16 16.203 0.032 -13.861 1.00 21.34 H new ATOM 0 HA ARG A 16 17.944 1.236 -11.874 1.00 61.21 H new ATOM 0 HB2 ARG A 16 16.826 1.899 -14.560 1.00 45.54 H new ATOM 0 HB3 ARG A 16 17.133 3.263 -13.503 1.00 45.54 H new ATOM 0 HG2 ARG A 16 19.409 3.019 -13.604 1.00 30.20 H new ATOM 0 HG3 ARG A 16 19.335 1.270 -13.673 1.00 30.20 H new ATOM 0 HD2 ARG A 16 19.569 1.311 -15.909 1.00 44.33 H new ATOM 0 HD3 ARG A 16 18.122 2.286 -16.070 1.00 44.33 H new ATOM 0 HE ARG A 16 20.222 4.023 -15.257 1.00 62.03 H new ATOM 0 HH11 ARG A 16 19.297 1.990 -17.990 1.00 70.34 H new ATOM 0 HH12 ARG A 16 20.142 2.994 -19.173 1.00 70.34 H new ATOM 0 HH21 ARG A 16 21.303 5.309 -16.782 1.00 54.23 H new ATOM 0 HH22 ARG A 16 21.274 4.866 -18.492 1.00 54.23 H new ATOM 289 N LEU A 17 14.738 1.961 -12.092 1.00 11.43 N ATOM 290 CA LEU A 17 13.624 2.585 -11.385 1.00 60.52 C ATOM 291 C LEU A 17 13.394 1.916 -10.034 1.00 33.51 C ATOM 292 O LEU A 17 12.865 2.531 -9.109 1.00 23.24 O ATOM 293 CB LEU A 17 12.351 2.506 -12.230 1.00 11.15 C ATOM 294 CG LEU A 17 11.721 3.844 -12.619 1.00 75.54 C ATOM 295 CD1 LEU A 17 11.336 4.634 -11.379 1.00 4.45 C ATOM 296 CD2 LEU A 17 12.673 4.647 -13.493 1.00 14.41 C ATOM 0 H LEU A 17 14.470 1.446 -12.931 1.00 11.43 H new ATOM 0 HA LEU A 17 13.874 3.632 -11.213 1.00 60.52 H new ATOM 0 HB2 LEU A 17 12.578 1.955 -13.143 1.00 11.15 H new ATOM 0 HB3 LEU A 17 11.610 1.924 -11.682 1.00 11.15 H new ATOM 0 HG LEU A 17 10.815 3.645 -13.192 1.00 75.54 H new ATOM 0 HD11 LEU A 17 10.889 5.583 -11.676 1.00 4.45 H new ATOM 0 HD12 LEU A 17 10.617 4.062 -10.792 1.00 4.45 H new ATOM 0 HD13 LEU A 17 12.225 4.824 -10.778 1.00 4.45 H new ATOM 0 HD21 LEU A 17 12.208 5.596 -13.760 1.00 14.41 H new ATOM 0 HD22 LEU A 17 13.597 4.836 -12.946 1.00 14.41 H new ATOM 0 HD23 LEU A 17 12.897 4.084 -14.399 1.00 14.41 H new ATOM 308 N GLU A 18 13.796 0.653 -9.928 1.00 71.11 N ATOM 309 CA GLU A 18 13.634 -0.098 -8.689 1.00 21.41 C ATOM 310 C GLU A 18 14.300 0.626 -7.523 1.00 24.24 C ATOM 311 O GLU A 18 13.889 0.480 -6.372 1.00 71.12 O ATOM 312 CB GLU A 18 14.225 -1.502 -8.837 1.00 22.04 C ATOM 313 CG GLU A 18 13.336 -2.599 -8.276 1.00 72.10 C ATOM 314 CD GLU A 18 12.984 -3.650 -9.311 1.00 32.34 C ATOM 315 OE1 GLU A 18 12.451 -3.279 -10.377 1.00 32.10 O ATOM 316 OE2 GLU A 18 13.242 -4.845 -9.053 1.00 50.12 O ATOM 0 H GLU A 18 14.236 0.129 -10.685 1.00 71.11 H new ATOM 0 HA GLU A 18 12.567 -0.181 -8.481 1.00 21.41 H new ATOM 0 HB2 GLU A 18 14.409 -1.700 -9.893 1.00 22.04 H new ATOM 0 HB3 GLU A 18 15.191 -1.535 -8.333 1.00 22.04 H new ATOM 0 HG2 GLU A 18 13.840 -3.076 -7.436 1.00 72.10 H new ATOM 0 HG3 GLU A 18 12.419 -2.156 -7.887 1.00 72.10 H new ATOM 323 N GLU A 19 15.332 1.406 -7.830 1.00 20.03 N ATOM 324 CA GLU A 19 16.056 2.152 -6.807 1.00 21.40 C ATOM 325 C GLU A 19 15.288 3.407 -6.402 1.00 70.44 C ATOM 326 O GLU A 19 15.413 3.889 -5.276 1.00 24.00 O ATOM 327 CB GLU A 19 17.449 2.534 -7.313 1.00 32.43 C ATOM 328 CG GLU A 19 18.171 3.525 -6.416 1.00 50.33 C ATOM 329 CD GLU A 19 18.193 4.927 -6.995 1.00 70.44 C ATOM 330 OE1 GLU A 19 18.685 5.092 -8.131 1.00 11.30 O ATOM 331 OE2 GLU A 19 17.717 5.858 -6.312 1.00 65.31 O ATOM 0 H GLU A 19 15.685 1.538 -8.778 1.00 20.03 H new ATOM 0 HA GLU A 19 16.158 1.512 -5.931 1.00 21.40 H new ATOM 0 HB2 GLU A 19 18.054 1.632 -7.404 1.00 32.43 H new ATOM 0 HB3 GLU A 19 17.359 2.960 -8.312 1.00 32.43 H new ATOM 0 HG2 GLU A 19 17.686 3.546 -5.440 1.00 50.33 H new ATOM 0 HG3 GLU A 19 19.194 3.186 -6.256 1.00 50.33 H new ATOM 338 N LEU A 20 14.493 3.931 -7.329 1.00 23.22 N ATOM 339 CA LEU A 20 13.704 5.130 -7.070 1.00 43.33 C ATOM 340 C LEU A 20 12.637 4.863 -6.014 1.00 73.22 C ATOM 341 O LEU A 20 12.286 5.749 -5.234 1.00 73.33 O ATOM 342 CB LEU A 20 13.048 5.621 -8.362 1.00 44.40 C ATOM 343 CG LEU A 20 13.564 6.951 -8.914 1.00 24.15 C ATOM 344 CD1 LEU A 20 14.591 6.712 -10.009 1.00 65.33 C ATOM 345 CD2 LEU A 20 12.411 7.795 -9.436 1.00 42.20 C ATOM 0 H LEU A 20 14.378 3.545 -8.266 1.00 23.22 H new ATOM 0 HA LEU A 20 14.375 5.902 -6.694 1.00 43.33 H new ATOM 0 HB2 LEU A 20 13.182 4.856 -9.127 1.00 44.40 H new ATOM 0 HB3 LEU A 20 11.976 5.714 -8.189 1.00 44.40 H new ATOM 0 HG LEU A 20 14.048 7.495 -8.103 1.00 24.15 H new ATOM 0 HD11 LEU A 20 14.947 7.669 -10.390 1.00 65.33 H new ATOM 0 HD12 LEU A 20 15.431 6.148 -9.603 1.00 65.33 H new ATOM 0 HD13 LEU A 20 14.133 6.147 -10.821 1.00 65.33 H new ATOM 0 HD21 LEU A 20 12.797 8.737 -9.825 1.00 42.20 H new ATOM 0 HD22 LEU A 20 11.898 7.257 -10.233 1.00 42.20 H new ATOM 0 HD23 LEU A 20 11.711 7.996 -8.625 1.00 42.20 H new ATOM 357 N ILE A 21 12.126 3.636 -5.994 1.00 41.31 N ATOM 358 CA ILE A 21 11.101 3.252 -5.031 1.00 64.35 C ATOM 359 C ILE A 21 11.726 2.706 -3.752 1.00 61.52 C ATOM 360 O ILE A 21 11.196 2.901 -2.659 1.00 71.51 O ATOM 361 CB ILE A 21 10.148 2.193 -5.617 1.00 23.23 C ATOM 362 CG1 ILE A 21 9.026 1.881 -4.624 1.00 64.22 C ATOM 363 CG2 ILE A 21 10.916 0.928 -5.972 1.00 13.12 C ATOM 364 CD1 ILE A 21 8.087 3.043 -4.390 1.00 33.34 C ATOM 0 H ILE A 21 12.405 2.892 -6.633 1.00 41.31 H new ATOM 0 HA ILE A 21 10.532 4.152 -4.798 1.00 64.35 H new ATOM 0 HB ILE A 21 9.701 2.591 -6.528 1.00 23.23 H new ATOM 0 HG12 ILE A 21 8.453 1.029 -4.991 1.00 64.22 H new ATOM 0 HG13 ILE A 21 9.466 1.583 -3.673 1.00 64.22 H new ATOM 0 HG21 ILE A 21 10.229 0.189 -6.385 1.00 13.12 H new ATOM 0 HG22 ILE A 21 11.683 1.163 -6.710 1.00 13.12 H new ATOM 0 HG23 ILE A 21 11.387 0.525 -5.076 1.00 13.12 H new ATOM 0 HD11 ILE A 21 7.317 2.751 -3.676 1.00 33.34 H new ATOM 0 HD12 ILE A 21 8.647 3.889 -3.993 1.00 33.34 H new ATOM 0 HD13 ILE A 21 7.619 3.328 -5.332 1.00 33.34 H new ATOM 376 N GLU A 22 12.857 2.022 -3.897 1.00 42.13 N ATOM 377 CA GLU A 22 13.555 1.449 -2.752 1.00 73.33 C ATOM 378 C GLU A 22 13.864 2.521 -1.711 1.00 62.42 C ATOM 379 O GLU A 22 13.997 2.228 -0.523 1.00 12.35 O ATOM 380 CB GLU A 22 14.850 0.771 -3.203 1.00 43.03 C ATOM 381 CG GLU A 22 15.160 -0.512 -2.451 1.00 0.04 C ATOM 382 CD GLU A 22 15.122 -1.736 -3.344 1.00 65.34 C ATOM 383 OE1 GLU A 22 15.524 -1.623 -4.522 1.00 21.14 O ATOM 384 OE2 GLU A 22 14.692 -2.807 -2.867 1.00 53.25 O ATOM 0 H GLU A 22 13.309 1.851 -4.795 1.00 42.13 H new ATOM 0 HA GLU A 22 12.903 0.703 -2.297 1.00 73.33 H new ATOM 0 HB2 GLU A 22 14.783 0.550 -4.268 1.00 43.03 H new ATOM 0 HB3 GLU A 22 15.679 1.467 -3.074 1.00 43.03 H new ATOM 0 HG2 GLU A 22 16.146 -0.431 -1.994 1.00 0.04 H new ATOM 0 HG3 GLU A 22 14.442 -0.636 -1.640 1.00 0.04 H new ATOM 391 N LYS A 23 13.979 3.764 -2.166 1.00 73.45 N ATOM 392 CA LYS A 23 14.272 4.881 -1.277 1.00 32.13 C ATOM 393 C LYS A 23 13.116 5.126 -0.312 1.00 52.23 C ATOM 394 O LYS A 23 13.328 5.471 0.850 1.00 62.43 O ATOM 395 CB LYS A 23 14.550 6.148 -2.089 1.00 74.54 C ATOM 396 CG LYS A 23 16.023 6.508 -2.170 1.00 30.23 C ATOM 397 CD LYS A 23 16.305 7.852 -1.520 1.00 15.13 C ATOM 398 CE LYS A 23 17.736 8.302 -1.768 1.00 1.12 C ATOM 399 NZ LYS A 23 18.635 7.940 -0.637 1.00 62.13 N ATOM 0 H LYS A 23 13.873 4.023 -3.147 1.00 73.45 H new ATOM 0 HA LYS A 23 15.159 4.627 -0.697 1.00 32.13 H new ATOM 0 HB2 LYS A 23 14.161 6.015 -3.099 1.00 74.54 H new ATOM 0 HB3 LYS A 23 14.005 6.981 -1.645 1.00 74.54 H new ATOM 0 HG2 LYS A 23 16.615 5.735 -1.680 1.00 30.23 H new ATOM 0 HG3 LYS A 23 16.335 6.535 -3.214 1.00 30.23 H new ATOM 0 HD2 LYS A 23 15.615 8.599 -1.912 1.00 15.13 H new ATOM 0 HD3 LYS A 23 16.125 7.783 -0.447 1.00 15.13 H new ATOM 0 HE2 LYS A 23 18.106 7.846 -2.686 1.00 1.12 H new ATOM 0 HE3 LYS A 23 17.757 9.382 -1.917 1.00 1.12 H new ATOM 0 HZ1 LYS A 23 19.601 8.264 -0.844 1.00 62.13 H new ATOM 0 HZ2 LYS A 23 18.297 8.395 0.235 1.00 62.13 H new ATOM 0 HZ3 LYS A 23 18.635 6.908 -0.511 1.00 62.13 H new ATOM 413 N GLU A 24 11.893 4.945 -0.803 1.00 4.15 N ATOM 414 CA GLU A 24 10.705 5.147 0.018 1.00 74.34 C ATOM 415 C GLU A 24 10.526 3.999 1.008 1.00 53.33 C ATOM 416 O GLU A 24 10.153 4.213 2.161 1.00 43.21 O ATOM 417 CB GLU A 24 9.462 5.270 -0.867 1.00 64.32 C ATOM 418 CG GLU A 24 8.510 6.369 -0.429 1.00 53.43 C ATOM 419 CD GLU A 24 7.240 5.826 0.198 1.00 43.15 C ATOM 420 OE1 GLU A 24 7.288 4.714 0.764 1.00 1.11 O ATOM 421 OE2 GLU A 24 6.200 6.512 0.121 1.00 13.15 O ATOM 0 H GLU A 24 11.700 4.660 -1.763 1.00 4.15 H new ATOM 0 HA GLU A 24 10.836 6.072 0.580 1.00 74.34 H new ATOM 0 HB2 GLU A 24 9.775 5.460 -1.894 1.00 64.32 H new ATOM 0 HB3 GLU A 24 8.930 4.319 -0.866 1.00 64.32 H new ATOM 0 HG2 GLU A 24 9.015 7.018 0.286 1.00 53.43 H new ATOM 0 HG3 GLU A 24 8.251 6.985 -1.290 1.00 53.43 H new ATOM 428 N MET A 25 10.793 2.782 0.548 1.00 65.53 N ATOM 429 CA MET A 25 10.663 1.600 1.393 1.00 52.14 C ATOM 430 C MET A 25 11.437 1.775 2.695 1.00 13.14 C ATOM 431 O MET A 25 12.496 2.401 2.718 1.00 12.44 O ATOM 432 CB MET A 25 11.163 0.359 0.651 1.00 22.24 C ATOM 433 CG MET A 25 10.493 0.144 -0.696 1.00 44.52 C ATOM 434 SD MET A 25 8.706 -0.049 -0.560 1.00 52.24 S ATOM 435 CE MET A 25 8.601 -1.531 0.440 1.00 55.21 C ATOM 0 H MET A 25 11.101 2.588 -0.405 1.00 65.53 H new ATOM 0 HA MET A 25 9.608 1.470 1.633 1.00 52.14 H new ATOM 0 HB2 MET A 25 12.239 0.444 0.502 1.00 22.24 H new ATOM 0 HB3 MET A 25 10.996 -0.519 1.275 1.00 22.24 H new ATOM 0 HG2 MET A 25 10.715 0.990 -1.347 1.00 44.52 H new ATOM 0 HG3 MET A 25 10.915 -0.742 -1.170 1.00 44.52 H new ATOM 0 HE1 MET A 25 8.176 -2.341 -0.153 1.00 55.21 H new ATOM 0 HE2 MET A 25 9.598 -1.813 0.778 1.00 55.21 H new ATOM 0 HE3 MET A 25 7.964 -1.342 1.304 1.00 55.21 H new ATOM 445 N GLN A 26 10.900 1.218 3.777 1.00 44.35 N ATOM 446 CA GLN A 26 11.541 1.315 5.083 1.00 64.34 C ATOM 447 C GLN A 26 12.881 0.585 5.087 1.00 53.21 C ATOM 448 O GLN A 26 13.164 -0.248 4.226 1.00 62.00 O ATOM 449 CB GLN A 26 10.629 0.737 6.166 1.00 70.21 C ATOM 450 CG GLN A 26 9.993 1.794 7.053 1.00 15.41 C ATOM 451 CD GLN A 26 9.941 1.379 8.510 1.00 14.53 C ATOM 452 OE1 GLN A 26 10.792 1.769 9.309 1.00 4.45 O ATOM 453 NE2 GLN A 26 8.938 0.584 8.864 1.00 12.34 N ATOM 0 H GLN A 26 10.024 0.696 3.774 1.00 44.35 H new ATOM 0 HA GLN A 26 11.721 2.369 5.294 1.00 64.34 H new ATOM 0 HB2 GLN A 26 9.842 0.151 5.692 1.00 70.21 H new ATOM 0 HB3 GLN A 26 11.206 0.052 6.788 1.00 70.21 H new ATOM 0 HG2 GLN A 26 10.555 2.724 6.964 1.00 15.41 H new ATOM 0 HG3 GLN A 26 8.982 1.998 6.701 1.00 15.41 H new ATOM 0 HE21 GLN A 26 8.255 0.285 8.169 1.00 12.34 H new ATOM 0 HE22 GLN A 26 8.851 0.273 9.831 1.00 12.34 H new ATOM 462 N PRO A 27 13.726 0.904 6.078 1.00 12.44 N ATOM 463 CA PRO A 27 15.050 0.291 6.219 1.00 75.53 C ATOM 464 C PRO A 27 14.968 -1.176 6.628 1.00 31.03 C ATOM 465 O PRO A 27 15.981 -1.871 6.685 1.00 21.42 O ATOM 466 CB PRO A 27 15.709 1.119 7.324 1.00 22.42 C ATOM 467 CG PRO A 27 14.573 1.664 8.118 1.00 11.12 C ATOM 468 CD PRO A 27 13.454 1.889 7.139 1.00 32.12 C ATOM 0 HA PRO A 27 15.603 0.294 5.280 1.00 75.53 H new ATOM 0 HB2 PRO A 27 16.365 0.505 7.941 1.00 22.42 H new ATOM 0 HB3 PRO A 27 16.321 1.919 6.908 1.00 22.42 H new ATOM 0 HG2 PRO A 27 14.273 0.966 8.900 1.00 11.12 H new ATOM 0 HG3 PRO A 27 14.853 2.595 8.612 1.00 11.12 H new ATOM 0 HD2 PRO A 27 12.479 1.726 7.598 1.00 32.12 H new ATOM 0 HD3 PRO A 27 13.457 2.908 6.752 1.00 32.12 H new ATOM 476 N ASN A 28 13.755 -1.640 6.912 1.00 2.34 N ATOM 477 CA ASN A 28 13.542 -3.025 7.317 1.00 52.40 C ATOM 478 C ASN A 28 12.207 -3.545 6.792 1.00 65.43 C ATOM 479 O ASN A 28 11.540 -4.344 7.448 1.00 24.04 O ATOM 480 CB ASN A 28 13.584 -3.145 8.842 1.00 44.53 C ATOM 481 CG ASN A 28 14.274 -4.414 9.303 1.00 44.22 C ATOM 482 OD1 ASN A 28 15.363 -4.369 9.875 1.00 3.23 O ATOM 483 ND2 ASN A 28 13.642 -5.555 9.054 1.00 12.33 N ATOM 0 H ASN A 28 12.905 -1.078 6.869 1.00 2.34 H new ATOM 0 HA ASN A 28 14.342 -3.630 6.890 1.00 52.40 H new ATOM 0 HB2 ASN A 28 14.103 -2.281 9.258 1.00 44.53 H new ATOM 0 HB3 ASN A 28 12.567 -3.125 9.234 1.00 44.53 H new ATOM 0 HD21 ASN A 28 14.058 -6.441 9.340 1.00 12.33 H new ATOM 0 HD22 ASN A 28 12.740 -5.545 8.577 1.00 12.33 H new ATOM 490 N GLU A 29 11.826 -3.087 5.604 1.00 71.25 N ATOM 491 CA GLU A 29 10.571 -3.507 4.991 1.00 61.13 C ATOM 492 C GLU A 29 10.829 -4.363 3.754 1.00 43.32 C ATOM 493 O GLU A 29 11.941 -4.391 3.226 1.00 62.40 O ATOM 494 CB GLU A 29 9.729 -2.287 4.613 1.00 14.24 C ATOM 495 CG GLU A 29 8.555 -2.045 5.547 1.00 32.35 C ATOM 496 CD GLU A 29 7.376 -2.952 5.250 1.00 63.01 C ATOM 497 OE1 GLU A 29 6.646 -2.677 4.275 1.00 3.51 O ATOM 498 OE2 GLU A 29 7.185 -3.938 5.992 1.00 13.25 O ATOM 0 H GLU A 29 12.367 -2.426 5.047 1.00 71.25 H new ATOM 0 HA GLU A 29 10.024 -4.106 5.719 1.00 61.13 H new ATOM 0 HB2 GLU A 29 10.367 -1.403 4.608 1.00 14.24 H new ATOM 0 HB3 GLU A 29 9.354 -2.415 3.598 1.00 14.24 H new ATOM 0 HG2 GLU A 29 8.877 -2.200 6.577 1.00 32.35 H new ATOM 0 HG3 GLU A 29 8.238 -1.005 5.465 1.00 32.35 H new ATOM 505 N VAL A 30 9.794 -5.060 3.297 1.00 53.53 N ATOM 506 CA VAL A 30 9.907 -5.916 2.122 1.00 11.21 C ATOM 507 C VAL A 30 9.439 -5.190 0.866 1.00 53.02 C ATOM 508 O VAL A 30 8.504 -4.391 0.910 1.00 33.22 O ATOM 509 CB VAL A 30 9.088 -7.210 2.290 1.00 40.55 C ATOM 510 CG1 VAL A 30 7.630 -6.970 1.928 1.00 42.43 C ATOM 511 CG2 VAL A 30 9.679 -8.327 1.443 1.00 0.12 C ATOM 0 H VAL A 30 8.867 -5.049 3.723 1.00 53.53 H new ATOM 0 HA VAL A 30 10.961 -6.173 2.017 1.00 11.21 H new ATOM 0 HB VAL A 30 9.132 -7.515 3.336 1.00 40.55 H new ATOM 0 HG11 VAL A 30 7.067 -7.895 2.053 1.00 42.43 H new ATOM 0 HG12 VAL A 30 7.215 -6.202 2.580 1.00 42.43 H new ATOM 0 HG13 VAL A 30 7.562 -6.641 0.891 1.00 42.43 H new ATOM 0 HG21 VAL A 30 9.088 -9.234 1.573 1.00 0.12 H new ATOM 0 HG22 VAL A 30 9.666 -8.033 0.393 1.00 0.12 H new ATOM 0 HG23 VAL A 30 10.706 -8.515 1.755 1.00 0.12 H new ATOM 521 N ALA A 31 10.095 -5.474 -0.254 1.00 62.03 N ATOM 522 CA ALA A 31 9.745 -4.850 -1.524 1.00 74.33 C ATOM 523 C ALA A 31 9.572 -5.896 -2.620 1.00 73.33 C ATOM 524 O ALA A 31 10.534 -6.547 -3.027 1.00 65.42 O ATOM 525 CB ALA A 31 10.805 -3.835 -1.924 1.00 13.42 C ATOM 0 H ALA A 31 10.872 -6.132 -0.308 1.00 62.03 H new ATOM 0 HA ALA A 31 8.794 -4.334 -1.396 1.00 74.33 H new ATOM 0 HB1 ALA A 31 10.530 -3.377 -2.874 1.00 13.42 H new ATOM 0 HB2 ALA A 31 10.878 -3.064 -1.157 1.00 13.42 H new ATOM 0 HB3 ALA A 31 11.768 -4.336 -2.028 1.00 13.42 H new ATOM 531 N ILE A 32 8.340 -6.053 -3.093 1.00 50.34 N ATOM 532 CA ILE A 32 8.042 -7.020 -4.143 1.00 2.34 C ATOM 533 C ILE A 32 8.111 -6.373 -5.522 1.00 14.12 C ATOM 534 O ILE A 32 7.247 -5.576 -5.889 1.00 70.02 O ATOM 535 CB ILE A 32 6.649 -7.647 -3.951 1.00 31.31 C ATOM 536 CG1 ILE A 32 6.674 -8.656 -2.801 1.00 31.31 C ATOM 537 CG2 ILE A 32 6.187 -8.314 -5.238 1.00 33.12 C ATOM 538 CD1 ILE A 32 5.549 -8.468 -1.807 1.00 71.34 C ATOM 0 H ILE A 32 7.532 -5.523 -2.766 1.00 50.34 H new ATOM 0 HA ILE A 32 8.797 -7.804 -4.074 1.00 2.34 H new ATOM 0 HB ILE A 32 5.942 -6.856 -3.700 1.00 31.31 H new ATOM 0 HG12 ILE A 32 6.620 -9.664 -3.212 1.00 31.31 H new ATOM 0 HG13 ILE A 32 7.627 -8.575 -2.278 1.00 31.31 H new ATOM 0 HG21 ILE A 32 5.201 -8.753 -5.087 1.00 33.12 H new ATOM 0 HG22 ILE A 32 6.136 -7.572 -6.034 1.00 33.12 H new ATOM 0 HG23 ILE A 32 6.893 -9.096 -5.516 1.00 33.12 H new ATOM 0 HD11 ILE A 32 5.630 -9.218 -1.020 1.00 71.34 H new ATOM 0 HD12 ILE A 32 5.614 -7.472 -1.368 1.00 71.34 H new ATOM 0 HD13 ILE A 32 4.591 -8.578 -2.316 1.00 71.34 H new ATOM 550 N PHE A 33 9.143 -6.722 -6.283 1.00 35.53 N ATOM 551 CA PHE A 33 9.324 -6.177 -7.623 1.00 12.22 C ATOM 552 C PHE A 33 8.953 -7.208 -8.685 1.00 22.03 C ATOM 553 O PHE A 33 9.710 -8.141 -8.949 1.00 62.53 O ATOM 554 CB PHE A 33 10.772 -5.723 -7.820 1.00 54.31 C ATOM 555 CG PHE A 33 11.268 -4.814 -6.732 1.00 42.13 C ATOM 556 CD1 PHE A 33 10.451 -3.823 -6.212 1.00 71.22 C ATOM 557 CD2 PHE A 33 12.552 -4.950 -6.230 1.00 21.45 C ATOM 558 CE1 PHE A 33 10.906 -2.985 -5.212 1.00 31.12 C ATOM 559 CE2 PHE A 33 13.012 -4.115 -5.229 1.00 24.52 C ATOM 560 CZ PHE A 33 12.188 -3.132 -4.719 1.00 33.24 C ATOM 0 H PHE A 33 9.867 -7.380 -5.994 1.00 35.53 H new ATOM 0 HA PHE A 33 8.663 -5.317 -7.731 1.00 12.22 H new ATOM 0 HB2 PHE A 33 11.416 -6.601 -7.871 1.00 54.31 H new ATOM 0 HB3 PHE A 33 10.856 -5.210 -8.778 1.00 54.31 H new ATOM 0 HD1 PHE A 33 9.447 -3.704 -6.593 1.00 71.22 H new ATOM 0 HD2 PHE A 33 13.201 -5.717 -6.625 1.00 21.45 H new ATOM 0 HE1 PHE A 33 10.260 -2.216 -4.816 1.00 31.12 H new ATOM 0 HE2 PHE A 33 14.015 -4.232 -4.846 1.00 24.52 H new ATOM 0 HZ PHE A 33 12.545 -2.479 -3.936 1.00 33.24 H new ATOM 570 N MET A 34 7.783 -7.032 -9.289 1.00 13.20 N ATOM 571 CA MET A 34 7.311 -7.946 -10.322 1.00 63.45 C ATOM 572 C MET A 34 7.932 -7.606 -11.674 1.00 14.12 C ATOM 573 O MET A 34 7.883 -6.459 -12.119 1.00 51.00 O ATOM 574 CB MET A 34 5.785 -7.896 -10.421 1.00 45.42 C ATOM 575 CG MET A 34 5.182 -9.096 -11.132 1.00 62.11 C ATOM 576 SD MET A 34 3.996 -9.987 -10.107 1.00 3.22 S ATOM 577 CE MET A 34 2.980 -8.636 -9.514 1.00 74.43 C ATOM 0 H MET A 34 7.144 -6.265 -9.081 1.00 13.20 H new ATOM 0 HA MET A 34 7.616 -8.955 -10.045 1.00 63.45 H new ATOM 0 HB2 MET A 34 5.366 -7.831 -9.417 1.00 45.42 H new ATOM 0 HB3 MET A 34 5.493 -6.988 -10.948 1.00 45.42 H new ATOM 0 HG2 MET A 34 4.689 -8.762 -12.045 1.00 62.11 H new ATOM 0 HG3 MET A 34 5.980 -9.775 -11.431 1.00 62.11 H new ATOM 0 HE1 MET A 34 1.953 -8.980 -9.392 1.00 74.43 H new ATOM 0 HE2 MET A 34 3.362 -8.287 -8.555 1.00 74.43 H new ATOM 0 HE3 MET A 34 3.006 -7.818 -10.234 1.00 74.43 H new ATOM 587 N PHE A 35 8.515 -8.609 -12.322 1.00 13.11 N ATOM 588 CA PHE A 35 9.146 -8.415 -13.622 1.00 53.21 C ATOM 589 C PHE A 35 8.726 -9.510 -14.599 1.00 4.51 C ATOM 590 O PHE A 35 8.843 -10.698 -14.302 1.00 14.11 O ATOM 591 CB PHE A 35 10.669 -8.402 -13.477 1.00 12.44 C ATOM 592 CG PHE A 35 11.245 -9.732 -13.086 1.00 63.54 C ATOM 593 CD1 PHE A 35 10.973 -10.283 -11.845 1.00 33.34 C ATOM 594 CD2 PHE A 35 12.060 -10.433 -13.961 1.00 45.52 C ATOM 595 CE1 PHE A 35 11.501 -11.508 -11.482 1.00 63.05 C ATOM 596 CE2 PHE A 35 12.592 -11.658 -13.605 1.00 15.32 C ATOM 597 CZ PHE A 35 12.313 -12.196 -12.364 1.00 14.45 C ATOM 0 H PHE A 35 8.564 -9.564 -11.968 1.00 13.11 H new ATOM 0 HA PHE A 35 8.818 -7.454 -14.017 1.00 53.21 H new ATOM 0 HB2 PHE A 35 11.113 -8.086 -14.421 1.00 12.44 H new ATOM 0 HB3 PHE A 35 10.948 -7.660 -12.729 1.00 12.44 H new ATOM 0 HD1 PHE A 35 10.340 -9.749 -11.152 1.00 33.34 H new ATOM 0 HD2 PHE A 35 12.282 -10.017 -14.933 1.00 45.52 H new ATOM 0 HE1 PHE A 35 11.280 -11.927 -10.511 1.00 63.05 H new ATOM 0 HE2 PHE A 35 13.225 -12.194 -14.297 1.00 15.32 H new ATOM 0 HZ PHE A 35 12.728 -13.153 -12.083 1.00 14.45 H new ATOM 607 N GLU A 36 8.238 -9.098 -15.765 1.00 71.50 N ATOM 608 CA GLU A 36 7.800 -10.044 -16.785 1.00 31.11 C ATOM 609 C GLU A 36 8.689 -9.961 -18.022 1.00 43.31 C ATOM 610 O GLU A 36 8.433 -10.619 -19.031 1.00 14.44 O ATOM 611 CB GLU A 36 6.344 -9.774 -17.171 1.00 20.12 C ATOM 612 CG GLU A 36 6.155 -8.502 -17.980 1.00 73.43 C ATOM 613 CD GLU A 36 5.812 -8.780 -19.431 1.00 41.12 C ATOM 614 OE1 GLU A 36 6.118 -9.892 -19.910 1.00 62.10 O ATOM 615 OE2 GLU A 36 5.239 -7.886 -20.088 1.00 13.24 O ATOM 0 H GLU A 36 8.136 -8.117 -16.026 1.00 71.50 H new ATOM 0 HA GLU A 36 7.878 -11.049 -16.369 1.00 31.11 H new ATOM 0 HB2 GLU A 36 5.966 -10.620 -17.746 1.00 20.12 H new ATOM 0 HB3 GLU A 36 5.742 -9.711 -16.264 1.00 20.12 H new ATOM 0 HG2 GLU A 36 5.362 -7.905 -17.531 1.00 73.43 H new ATOM 0 HG3 GLU A 36 7.067 -7.907 -17.934 1.00 73.43 H new ATOM 622 N VAL A 37 9.736 -9.146 -17.937 1.00 63.22 N ATOM 623 CA VAL A 37 10.665 -8.976 -19.049 1.00 33.15 C ATOM 624 C VAL A 37 12.086 -8.744 -18.547 1.00 55.10 C ATOM 625 O VAL A 37 12.390 -8.985 -17.380 1.00 23.12 O ATOM 626 CB VAL A 37 10.251 -7.798 -19.950 1.00 2.30 C ATOM 627 CG1 VAL A 37 10.661 -8.058 -21.391 1.00 71.44 C ATOM 628 CG2 VAL A 37 8.754 -7.550 -19.849 1.00 74.21 C ATOM 0 H VAL A 37 9.962 -8.593 -17.110 1.00 63.22 H new ATOM 0 HA VAL A 37 10.635 -9.897 -19.631 1.00 33.15 H new ATOM 0 HB VAL A 37 10.768 -6.902 -19.607 1.00 2.30 H new ATOM 0 HG11 VAL A 37 10.360 -7.215 -22.013 1.00 71.44 H new ATOM 0 HG12 VAL A 37 11.743 -8.181 -21.445 1.00 71.44 H new ATOM 0 HG13 VAL A 37 10.174 -8.965 -21.750 1.00 71.44 H new ATOM 0 HG21 VAL A 37 8.479 -6.714 -20.492 1.00 74.21 H new ATOM 0 HG22 VAL A 37 8.215 -8.443 -20.165 1.00 74.21 H new ATOM 0 HG23 VAL A 37 8.493 -7.315 -18.817 1.00 74.21 H new ATOM 638 N GLY A 38 12.953 -8.273 -19.438 1.00 55.14 N ATOM 639 CA GLY A 38 14.332 -8.015 -19.067 1.00 73.35 C ATOM 640 C GLY A 38 15.013 -9.237 -18.483 1.00 52.11 C ATOM 641 O GLY A 38 14.389 -10.286 -18.321 1.00 50.21 O ATOM 0 H GLY A 38 12.725 -8.065 -20.410 1.00 55.14 H new ATOM 0 HA2 GLY A 38 14.885 -7.679 -19.945 1.00 73.35 H new ATOM 0 HA3 GLY A 38 14.364 -7.203 -18.341 1.00 73.35 H new ATOM 645 N ASP A 39 16.296 -9.102 -18.167 1.00 61.34 N ATOM 646 CA ASP A 39 17.063 -10.204 -17.598 1.00 61.33 C ATOM 647 C ASP A 39 16.594 -10.518 -16.181 1.00 71.00 C ATOM 648 O ASP A 39 16.022 -9.665 -15.502 1.00 74.13 O ATOM 649 CB ASP A 39 18.555 -9.866 -17.592 1.00 13.12 C ATOM 650 CG ASP A 39 19.205 -10.088 -18.943 1.00 74.13 C ATOM 651 OD1 ASP A 39 18.718 -9.511 -19.938 1.00 73.03 O ATOM 652 OD2 ASP A 39 20.201 -10.838 -19.006 1.00 33.40 O ATOM 0 H ASP A 39 16.827 -8.241 -18.295 1.00 61.34 H new ATOM 0 HA ASP A 39 16.901 -11.085 -18.219 1.00 61.33 H new ATOM 0 HB2 ASP A 39 18.688 -8.826 -17.295 1.00 13.12 H new ATOM 0 HB3 ASP A 39 19.060 -10.478 -16.844 1.00 13.12 H new ATOM 657 N PHE A 40 16.839 -11.748 -15.741 1.00 1.44 N ATOM 658 CA PHE A 40 16.440 -12.175 -14.405 1.00 32.02 C ATOM 659 C PHE A 40 17.551 -11.908 -13.394 1.00 11.25 C ATOM 660 O PHE A 40 17.286 -11.612 -12.228 1.00 44.34 O ATOM 661 CB PHE A 40 16.084 -13.663 -14.407 1.00 62.24 C ATOM 662 CG PHE A 40 16.160 -14.295 -15.768 1.00 31.22 C ATOM 663 CD1 PHE A 40 17.341 -14.861 -16.219 1.00 25.03 C ATOM 664 CD2 PHE A 40 15.049 -14.323 -16.596 1.00 23.01 C ATOM 665 CE1 PHE A 40 17.414 -15.444 -17.470 1.00 4.20 C ATOM 666 CE2 PHE A 40 15.116 -14.905 -17.848 1.00 1.31 C ATOM 667 CZ PHE A 40 16.300 -15.465 -18.286 1.00 3.41 C ATOM 0 H PHE A 40 17.312 -12.466 -16.290 1.00 1.44 H new ATOM 0 HA PHE A 40 15.562 -11.599 -14.114 1.00 32.02 H new ATOM 0 HB2 PHE A 40 16.758 -14.191 -13.732 1.00 62.24 H new ATOM 0 HB3 PHE A 40 15.075 -13.788 -14.013 1.00 62.24 H new ATOM 0 HD1 PHE A 40 18.215 -14.847 -15.585 1.00 25.03 H new ATOM 0 HD2 PHE A 40 14.121 -13.885 -16.259 1.00 23.01 H new ATOM 0 HE1 PHE A 40 18.341 -15.883 -17.809 1.00 4.20 H new ATOM 0 HE2 PHE A 40 14.243 -14.922 -18.483 1.00 1.31 H new ATOM 0 HZ PHE A 40 16.355 -15.918 -19.265 1.00 3.41 H new ATOM 677 N SER A 41 18.795 -12.015 -13.848 1.00 62.33 N ATOM 678 CA SER A 41 19.947 -11.790 -12.983 1.00 43.14 C ATOM 679 C SER A 41 20.073 -10.314 -12.620 1.00 43.50 C ATOM 680 O SER A 41 20.840 -9.945 -11.732 1.00 24.13 O ATOM 681 CB SER A 41 21.228 -12.269 -13.669 1.00 62.13 C ATOM 682 OG SER A 41 21.958 -11.179 -14.206 1.00 33.21 O ATOM 0 H SER A 41 19.031 -12.256 -14.810 1.00 62.33 H new ATOM 0 HA SER A 41 19.799 -12.361 -12.066 1.00 43.14 H new ATOM 0 HB2 SER A 41 21.848 -12.808 -12.953 1.00 62.13 H new ATOM 0 HB3 SER A 41 20.977 -12.970 -14.465 1.00 62.13 H new ATOM 0 HG SER A 41 22.773 -11.512 -14.637 1.00 33.21 H new ATOM 688 N ASN A 42 19.314 -9.473 -13.315 1.00 13.23 N ATOM 689 CA ASN A 42 19.340 -8.036 -13.067 1.00 12.13 C ATOM 690 C ASN A 42 18.482 -7.677 -11.857 1.00 52.13 C ATOM 691 O ASN A 42 18.694 -6.647 -11.217 1.00 0.21 O ATOM 692 CB ASN A 42 18.847 -7.275 -14.299 1.00 61.45 C ATOM 693 CG ASN A 42 19.972 -6.570 -15.032 1.00 24.32 C ATOM 694 OD1 ASN A 42 20.955 -6.148 -14.423 1.00 5.21 O ATOM 695 ND2 ASN A 42 19.833 -6.440 -16.346 1.00 14.11 N ATOM 0 H ASN A 42 18.673 -9.762 -14.054 1.00 13.23 H new ATOM 0 HA ASN A 42 20.370 -7.748 -12.859 1.00 12.13 H new ATOM 0 HB2 ASN A 42 18.354 -7.970 -14.979 1.00 61.45 H new ATOM 0 HB3 ASN A 42 18.100 -6.542 -13.995 1.00 61.45 H new ATOM 0 HD21 ASN A 42 20.558 -5.975 -16.892 1.00 14.11 H new ATOM 0 HD22 ASN A 42 19.001 -6.805 -16.809 1.00 14.11 H new ATOM 702 N ILE A 43 17.513 -8.533 -11.551 1.00 23.42 N ATOM 703 CA ILE A 43 16.625 -8.307 -10.418 1.00 33.53 C ATOM 704 C ILE A 43 17.413 -7.938 -9.166 1.00 1.40 C ATOM 705 O ILE A 43 17.180 -6.905 -8.538 1.00 0.40 O ATOM 706 CB ILE A 43 15.764 -9.550 -10.120 1.00 44.25 C ATOM 707 CG1 ILE A 43 14.585 -9.625 -11.093 1.00 23.22 C ATOM 708 CG2 ILE A 43 15.271 -9.520 -8.682 1.00 35.22 C ATOM 709 CD1 ILE A 43 13.503 -8.607 -10.810 1.00 34.44 C ATOM 0 H ILE A 43 17.323 -9.389 -12.072 1.00 23.42 H new ATOM 0 HA ILE A 43 15.971 -7.478 -10.691 1.00 33.53 H new ATOM 0 HB ILE A 43 16.378 -10.441 -10.254 1.00 44.25 H new ATOM 0 HG12 ILE A 43 14.953 -9.480 -12.109 1.00 23.22 H new ATOM 0 HG13 ILE A 43 14.152 -10.625 -11.051 1.00 23.22 H new ATOM 0 HG21 ILE A 43 14.664 -10.404 -8.487 1.00 35.22 H new ATOM 0 HG22 ILE A 43 16.125 -9.509 -8.005 1.00 35.22 H new ATOM 0 HG23 ILE A 43 14.670 -8.625 -8.522 1.00 35.22 H new ATOM 0 HD11 ILE A 43 12.699 -8.718 -11.538 1.00 34.44 H new ATOM 0 HD12 ILE A 43 13.108 -8.765 -9.807 1.00 34.44 H new ATOM 0 HD13 ILE A 43 13.921 -7.603 -10.881 1.00 34.44 H new ATOM 721 N PRO A 44 18.371 -8.799 -8.794 1.00 62.50 N ATOM 722 CA PRO A 44 19.216 -8.584 -7.616 1.00 11.25 C ATOM 723 C PRO A 44 20.193 -7.428 -7.806 1.00 34.40 C ATOM 724 O PRO A 44 20.717 -6.879 -6.837 1.00 64.12 O ATOM 725 CB PRO A 44 19.973 -9.907 -7.475 1.00 42.41 C ATOM 726 CG PRO A 44 19.992 -10.480 -8.850 1.00 23.01 C ATOM 727 CD PRO A 44 18.704 -10.051 -9.496 1.00 10.34 C ATOM 0 HA PRO A 44 18.629 -8.318 -6.737 1.00 11.25 H new ATOM 0 HB2 PRO A 44 20.983 -9.747 -7.099 1.00 42.41 H new ATOM 0 HB3 PRO A 44 19.474 -10.576 -6.774 1.00 42.41 H new ATOM 0 HG2 PRO A 44 20.851 -10.115 -9.413 1.00 23.01 H new ATOM 0 HG3 PRO A 44 20.070 -11.567 -8.819 1.00 23.01 H new ATOM 0 HD2 PRO A 44 18.825 -9.891 -10.567 1.00 10.34 H new ATOM 0 HD3 PRO A 44 17.923 -10.801 -9.372 1.00 10.34 H new ATOM 735 N LYS A 45 20.433 -7.063 -9.061 1.00 34.42 N ATOM 736 CA LYS A 45 21.345 -5.972 -9.379 1.00 41.35 C ATOM 737 C LYS A 45 20.739 -4.626 -8.994 1.00 51.05 C ATOM 738 O LYS A 45 21.459 -3.665 -8.724 1.00 52.21 O ATOM 739 CB LYS A 45 21.684 -5.982 -10.872 1.00 21.13 C ATOM 740 CG LYS A 45 23.124 -5.603 -11.171 1.00 2.11 C ATOM 741 CD LYS A 45 23.204 -4.441 -12.147 1.00 34.11 C ATOM 742 CE LYS A 45 24.577 -4.349 -12.794 1.00 22.42 C ATOM 743 NZ LYS A 45 24.891 -2.962 -13.235 1.00 22.13 N ATOM 0 H LYS A 45 20.008 -7.508 -9.875 1.00 34.42 H new ATOM 0 HA LYS A 45 22.259 -6.117 -8.804 1.00 41.35 H new ATOM 0 HB2 LYS A 45 21.488 -6.976 -11.274 1.00 21.13 H new ATOM 0 HB3 LYS A 45 21.020 -5.291 -11.391 1.00 21.13 H new ATOM 0 HG2 LYS A 45 23.631 -5.336 -10.244 1.00 2.11 H new ATOM 0 HG3 LYS A 45 23.649 -6.464 -11.585 1.00 2.11 H new ATOM 0 HD2 LYS A 45 22.444 -4.560 -12.919 1.00 34.11 H new ATOM 0 HD3 LYS A 45 22.984 -3.510 -11.625 1.00 34.11 H new ATOM 0 HE2 LYS A 45 25.335 -4.685 -12.087 1.00 22.42 H new ATOM 0 HE3 LYS A 45 24.620 -5.021 -13.651 1.00 22.42 H new ATOM 0 HZ1 LYS A 45 25.835 -2.942 -13.671 1.00 22.13 H new ATOM 0 HZ2 LYS A 45 24.182 -2.650 -13.929 1.00 22.13 H new ATOM 0 HZ3 LYS A 45 24.875 -2.325 -12.413 1.00 22.13 H new ATOM 757 N SER A 46 19.411 -4.565 -8.970 1.00 63.25 N ATOM 758 CA SER A 46 18.709 -3.336 -8.621 1.00 34.34 C ATOM 759 C SER A 46 18.883 -3.013 -7.140 1.00 22.43 C ATOM 760 O SER A 46 19.303 -1.915 -6.778 1.00 43.21 O ATOM 761 CB SER A 46 17.221 -3.462 -8.955 1.00 11.40 C ATOM 762 OG SER A 46 16.991 -4.517 -9.872 1.00 25.52 O ATOM 0 H SER A 46 18.800 -5.352 -9.188 1.00 63.25 H new ATOM 0 HA SER A 46 19.138 -2.523 -9.206 1.00 34.34 H new ATOM 0 HB2 SER A 46 16.654 -3.640 -8.041 1.00 11.40 H new ATOM 0 HB3 SER A 46 16.859 -2.524 -9.377 1.00 11.40 H new ATOM 0 HG SER A 46 16.899 -5.361 -9.383 1.00 25.52 H new ATOM 768 N ALA A 47 18.557 -3.980 -6.288 1.00 2.34 N ATOM 769 CA ALA A 47 18.679 -3.800 -4.846 1.00 63.42 C ATOM 770 C ALA A 47 20.117 -3.479 -4.453 1.00 22.42 C ATOM 771 O ALA A 47 20.363 -2.854 -3.422 1.00 31.43 O ATOM 772 CB ALA A 47 18.196 -5.045 -4.117 1.00 31.03 C ATOM 0 H ALA A 47 18.207 -4.895 -6.571 1.00 2.34 H new ATOM 0 HA ALA A 47 18.054 -2.956 -4.555 1.00 63.42 H new ATOM 0 HB1 ALA A 47 18.293 -4.897 -3.041 1.00 31.03 H new ATOM 0 HB2 ALA A 47 17.151 -5.230 -4.366 1.00 31.03 H new ATOM 0 HB3 ALA A 47 18.798 -5.901 -4.421 1.00 31.03 H new ATOM 778 N GLU A 48 21.063 -3.912 -5.281 1.00 1.22 N ATOM 779 CA GLU A 48 22.477 -3.671 -5.017 1.00 52.20 C ATOM 780 C GLU A 48 22.843 -2.217 -5.302 1.00 64.21 C ATOM 781 O GLU A 48 23.778 -1.674 -4.713 1.00 22.00 O ATOM 782 CB GLU A 48 23.343 -4.603 -5.867 1.00 1.21 C ATOM 783 CG GLU A 48 24.797 -4.651 -5.428 1.00 31.12 C ATOM 784 CD GLU A 48 25.738 -4.058 -6.459 1.00 33.04 C ATOM 785 OE1 GLU A 48 25.453 -2.945 -6.950 1.00 24.35 O ATOM 786 OE2 GLU A 48 26.757 -4.706 -6.775 1.00 2.14 O ATOM 0 H GLU A 48 20.876 -4.431 -6.139 1.00 1.22 H new ATOM 0 HA GLU A 48 22.664 -3.875 -3.963 1.00 52.20 H new ATOM 0 HB2 GLU A 48 22.927 -5.610 -5.827 1.00 1.21 H new ATOM 0 HB3 GLU A 48 23.297 -4.280 -6.907 1.00 1.21 H new ATOM 0 HG2 GLU A 48 24.907 -4.110 -4.488 1.00 31.12 H new ATOM 0 HG3 GLU A 48 25.080 -5.686 -5.236 1.00 31.12 H new ATOM 793 N PHE A 49 22.101 -1.593 -6.210 1.00 73.02 N ATOM 794 CA PHE A 49 22.348 -0.203 -6.575 1.00 74.05 C ATOM 795 C PHE A 49 22.265 0.704 -5.351 1.00 55.02 C ATOM 796 O PHE A 49 22.832 1.797 -5.336 1.00 32.12 O ATOM 797 CB PHE A 49 21.341 0.255 -7.633 1.00 0.11 C ATOM 798 CG PHE A 49 21.981 0.883 -8.838 1.00 24.21 C ATOM 799 CD1 PHE A 49 22.360 2.216 -8.822 1.00 74.35 C ATOM 800 CD2 PHE A 49 22.206 0.140 -9.986 1.00 35.13 C ATOM 801 CE1 PHE A 49 22.948 2.796 -9.930 1.00 63.32 C ATOM 802 CE2 PHE A 49 22.794 0.714 -11.097 1.00 2.55 C ATOM 803 CZ PHE A 49 23.167 2.044 -11.068 1.00 60.02 C ATOM 0 H PHE A 49 21.323 -2.028 -6.707 1.00 73.02 H new ATOM 0 HA PHE A 49 23.355 -0.135 -6.988 1.00 74.05 H new ATOM 0 HB2 PHE A 49 20.747 -0.601 -7.952 1.00 0.11 H new ATOM 0 HB3 PHE A 49 20.653 0.971 -7.183 1.00 0.11 H new ATOM 0 HD1 PHE A 49 22.194 2.808 -7.934 1.00 74.35 H new ATOM 0 HD2 PHE A 49 21.918 -0.901 -10.013 1.00 35.13 H new ATOM 0 HE1 PHE A 49 23.236 3.837 -9.906 1.00 63.32 H new ATOM 0 HE2 PHE A 49 22.962 0.124 -11.986 1.00 2.55 H new ATOM 0 HZ PHE A 49 23.629 2.495 -11.934 1.00 60.02 H new ATOM 813 N ILE A 50 21.553 0.243 -4.328 1.00 25.11 N ATOM 814 CA ILE A 50 21.396 1.012 -3.099 1.00 63.55 C ATOM 815 C ILE A 50 22.637 0.901 -2.219 1.00 52.24 C ATOM 816 O ILE A 50 23.388 1.864 -2.067 1.00 22.34 O ATOM 817 CB ILE A 50 20.168 0.545 -2.297 1.00 32.35 C ATOM 818 CG1 ILE A 50 18.915 0.575 -3.175 1.00 65.01 C ATOM 819 CG2 ILE A 50 19.978 1.416 -1.064 1.00 41.31 C ATOM 820 CD1 ILE A 50 18.500 1.970 -3.587 1.00 63.14 C ATOM 0 H ILE A 50 21.076 -0.659 -4.326 1.00 25.11 H new ATOM 0 HA ILE A 50 21.254 2.052 -3.393 1.00 63.55 H new ATOM 0 HB ILE A 50 20.335 -0.482 -1.971 1.00 32.35 H new ATOM 0 HG12 ILE A 50 19.094 -0.021 -4.070 1.00 65.01 H new ATOM 0 HG13 ILE A 50 18.093 0.104 -2.637 1.00 65.01 H new ATOM 0 HG21 ILE A 50 19.106 1.073 -0.507 1.00 41.31 H new ATOM 0 HG22 ILE A 50 20.862 1.348 -0.431 1.00 41.31 H new ATOM 0 HG23 ILE A 50 19.829 2.452 -1.370 1.00 41.31 H new ATOM 0 HD11 ILE A 50 17.605 1.915 -4.207 1.00 63.14 H new ATOM 0 HD12 ILE A 50 18.289 2.564 -2.698 1.00 63.14 H new ATOM 0 HD13 ILE A 50 19.306 2.437 -4.153 1.00 63.14 H new ATOM 832 N GLN A 51 22.845 -0.279 -1.645 1.00 31.11 N ATOM 833 CA GLN A 51 23.995 -0.515 -0.781 1.00 25.31 C ATOM 834 C GLN A 51 24.559 -1.916 -0.996 1.00 45.22 C ATOM 835 O GLN A 51 23.826 -2.903 -0.961 1.00 75.41 O ATOM 836 CB GLN A 51 23.605 -0.330 0.686 1.00 13.04 C ATOM 837 CG GLN A 51 24.790 -0.083 1.605 1.00 3.12 C ATOM 838 CD GLN A 51 25.634 1.097 1.165 1.00 62.14 C ATOM 839 OE1 GLN A 51 26.616 0.936 0.440 1.00 44.04 O ATOM 840 NE2 GLN A 51 25.255 2.292 1.601 1.00 52.30 N ATOM 0 H GLN A 51 22.233 -1.086 -1.763 1.00 31.11 H new ATOM 0 HA GLN A 51 24.766 0.211 -1.039 1.00 25.31 H new ATOM 0 HB2 GLN A 51 22.913 0.508 0.766 1.00 13.04 H new ATOM 0 HB3 GLN A 51 23.071 -1.218 1.026 1.00 13.04 H new ATOM 0 HG2 GLN A 51 24.429 0.091 2.618 1.00 3.12 H new ATOM 0 HG3 GLN A 51 25.412 -0.977 1.638 1.00 3.12 H new ATOM 0 HE21 GLN A 51 24.434 2.379 2.200 1.00 52.30 H new ATOM 0 HE22 GLN A 51 25.784 3.123 1.337 1.00 52.30 H new ATOM 849 N SER A 52 25.867 -1.994 -1.219 1.00 45.24 N ATOM 850 CA SER A 52 26.530 -3.273 -1.445 1.00 35.43 C ATOM 851 C SER A 52 26.175 -4.269 -0.345 1.00 25.44 C ATOM 852 O SER A 52 26.069 -5.471 -0.589 1.00 71.32 O ATOM 853 CB SER A 52 28.046 -3.083 -1.507 1.00 42.11 C ATOM 854 OG SER A 52 28.678 -4.210 -2.089 1.00 42.11 O ATOM 0 H SER A 52 26.489 -1.186 -1.248 1.00 45.24 H new ATOM 0 HA SER A 52 26.183 -3.671 -2.399 1.00 35.43 H new ATOM 0 HB2 SER A 52 28.280 -2.191 -2.087 1.00 42.11 H new ATOM 0 HB3 SER A 52 28.437 -2.921 -0.502 1.00 42.11 H new ATOM 0 HG SER A 52 29.646 -4.063 -2.119 1.00 42.11 H new ATOM 860 N LYS A 53 25.994 -3.761 0.869 1.00 2.54 N ATOM 861 CA LYS A 53 25.651 -4.603 2.009 1.00 12.41 C ATOM 862 C LYS A 53 24.352 -4.136 2.658 1.00 35.51 C ATOM 863 O LYS A 53 24.275 -3.031 3.192 1.00 51.20 O ATOM 864 CB LYS A 53 26.782 -4.588 3.040 1.00 41.24 C ATOM 865 CG LYS A 53 27.084 -5.954 3.631 1.00 43.22 C ATOM 866 CD LYS A 53 28.283 -6.600 2.957 1.00 5.04 C ATOM 867 CE LYS A 53 29.199 -7.268 3.972 1.00 44.24 C ATOM 868 NZ LYS A 53 30.539 -6.619 4.020 1.00 21.44 N ATOM 0 H LYS A 53 26.079 -2.769 1.089 1.00 2.54 H new ATOM 0 HA LYS A 53 25.511 -5.622 1.647 1.00 12.41 H new ATOM 0 HB2 LYS A 53 27.685 -4.197 2.571 1.00 41.24 H new ATOM 0 HB3 LYS A 53 26.519 -3.903 3.846 1.00 41.24 H new ATOM 0 HG2 LYS A 53 27.276 -5.855 4.699 1.00 43.22 H new ATOM 0 HG3 LYS A 53 26.212 -6.600 3.522 1.00 43.22 H new ATOM 0 HD2 LYS A 53 27.940 -7.339 2.233 1.00 5.04 H new ATOM 0 HD3 LYS A 53 28.841 -5.845 2.403 1.00 5.04 H new ATOM 0 HE2 LYS A 53 28.739 -7.226 4.959 1.00 44.24 H new ATOM 0 HE3 LYS A 53 29.315 -8.322 3.719 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 31.134 -7.102 4.723 1.00 21.44 H new ATOM 0 HZ2 LYS A 53 30.989 -6.681 3.084 1.00 21.44 H new ATOM 0 HZ3 LYS A 53 30.431 -5.619 4.286 1.00 21.44 H new ATOM 882 N GLY A 54 23.332 -4.988 2.610 1.00 72.55 N ATOM 883 CA GLY A 54 22.050 -4.646 3.198 1.00 42.23 C ATOM 884 C GLY A 54 20.886 -5.272 2.456 1.00 31.54 C ATOM 885 O GLY A 54 19.973 -5.825 3.072 1.00 44.41 O ATOM 0 H GLY A 54 23.371 -5.909 2.174 1.00 72.55 H new ATOM 0 HA2 GLY A 54 22.032 -4.973 4.238 1.00 42.23 H new ATOM 0 HA3 GLY A 54 21.933 -3.562 3.202 1.00 42.23 H new ATOM 889 N HIS A 55 20.915 -5.186 1.130 1.00 24.32 N ATOM 890 CA HIS A 55 19.853 -5.749 0.304 1.00 43.22 C ATOM 891 C HIS A 55 19.934 -7.272 0.278 1.00 61.11 C ATOM 892 O HIS A 55 20.924 -7.842 -0.179 1.00 62.21 O ATOM 893 CB HIS A 55 19.940 -5.198 -1.120 1.00 12.42 C ATOM 894 CG HIS A 55 21.146 -5.668 -1.872 1.00 62.51 C ATOM 895 ND1 HIS A 55 22.426 -5.247 -1.581 1.00 44.44 N ATOM 896 CD2 HIS A 55 21.262 -6.532 -2.908 1.00 43.42 C ATOM 897 CE1 HIS A 55 23.278 -5.829 -2.407 1.00 54.43 C ATOM 898 NE2 HIS A 55 22.597 -6.614 -3.222 1.00 55.23 N ATOM 0 H HIS A 55 21.662 -4.732 0.605 1.00 24.32 H new ATOM 0 HA HIS A 55 18.896 -5.461 0.740 1.00 43.22 H new ATOM 0 HB2 HIS A 55 19.044 -5.489 -1.668 1.00 12.42 H new ATOM 0 HB3 HIS A 55 19.949 -4.109 -1.079 1.00 12.42 H new ATOM 0 HD1 HIS A 55 22.677 -4.589 -0.843 1.00 44.44 H new ATOM 0 HD2 HIS A 55 20.455 -7.059 -3.396 1.00 43.42 H new ATOM 0 HE1 HIS A 55 24.349 -5.687 -2.414 1.00 54.43 H new ATOM 906 N GLU A 56 18.886 -7.924 0.772 1.00 23.21 N ATOM 907 CA GLU A 56 18.841 -9.381 0.807 1.00 71.24 C ATOM 908 C GLU A 56 17.518 -9.898 0.247 1.00 5.31 C ATOM 909 O GLU A 56 16.443 -9.507 0.704 1.00 62.50 O ATOM 910 CB GLU A 56 19.034 -9.886 2.238 1.00 15.11 C ATOM 911 CG GLU A 56 20.044 -11.015 2.355 1.00 51.32 C ATOM 912 CD GLU A 56 19.387 -12.379 2.442 1.00 3.21 C ATOM 913 OE1 GLU A 56 18.261 -12.528 1.924 1.00 72.40 O ATOM 914 OE2 GLU A 56 19.999 -13.296 3.028 1.00 1.13 O ATOM 0 H GLU A 56 18.058 -7.467 1.153 1.00 23.21 H new ATOM 0 HA GLU A 56 19.652 -9.759 0.184 1.00 71.24 H new ATOM 0 HB2 GLU A 56 19.356 -9.056 2.867 1.00 15.11 H new ATOM 0 HB3 GLU A 56 18.074 -10.227 2.626 1.00 15.11 H new ATOM 0 HG2 GLU A 56 20.711 -10.991 1.493 1.00 51.32 H new ATOM 0 HG3 GLU A 56 20.660 -10.856 3.240 1.00 51.32 H new ATOM 921 N LEU A 57 17.606 -10.777 -0.745 1.00 31.02 N ATOM 922 CA LEU A 57 16.417 -11.348 -1.368 1.00 51.33 C ATOM 923 C LEU A 57 15.954 -12.593 -0.619 1.00 73.13 C ATOM 924 O LEU A 57 16.514 -13.677 -0.789 1.00 12.12 O ATOM 925 CB LEU A 57 16.701 -11.694 -2.831 1.00 35.40 C ATOM 926 CG LEU A 57 16.954 -10.510 -3.764 1.00 63.24 C ATOM 927 CD1 LEU A 57 15.892 -9.440 -3.570 1.00 11.44 C ATOM 928 CD2 LEU A 57 18.343 -9.935 -3.530 1.00 44.41 C ATOM 0 H LEU A 57 18.488 -11.110 -1.135 1.00 31.02 H new ATOM 0 HA LEU A 57 15.621 -10.605 -1.325 1.00 51.33 H new ATOM 0 HB2 LEU A 57 17.570 -12.350 -2.866 1.00 35.40 H new ATOM 0 HB3 LEU A 57 15.856 -12.263 -3.219 1.00 35.40 H new ATOM 0 HG LEU A 57 16.898 -10.865 -4.793 1.00 63.24 H new ATOM 0 HD11 LEU A 57 16.089 -8.605 -4.243 1.00 11.44 H new ATOM 0 HD12 LEU A 57 14.910 -9.858 -3.789 1.00 11.44 H new ATOM 0 HD13 LEU A 57 15.915 -9.088 -2.539 1.00 11.44 H new ATOM 0 HD21 LEU A 57 18.506 -9.093 -4.203 1.00 44.41 H new ATOM 0 HD22 LEU A 57 18.427 -9.596 -2.497 1.00 44.41 H new ATOM 0 HD23 LEU A 57 19.092 -10.703 -3.722 1.00 44.41 H new ATOM 940 N LEU A 58 14.927 -12.432 0.208 1.00 52.32 N ATOM 941 CA LEU A 58 14.386 -13.544 0.982 1.00 53.32 C ATOM 942 C LEU A 58 14.057 -14.727 0.078 1.00 73.33 C ATOM 943 O LEU A 58 14.321 -15.878 0.424 1.00 44.31 O ATOM 944 CB LEU A 58 13.132 -13.102 1.739 1.00 42.41 C ATOM 945 CG LEU A 58 13.245 -13.070 3.263 1.00 3.55 C ATOM 946 CD1 LEU A 58 12.998 -11.663 3.788 1.00 60.54 C ATOM 947 CD2 LEU A 58 12.270 -14.054 3.891 1.00 35.05 C ATOM 0 H LEU A 58 14.452 -11.542 0.360 1.00 52.32 H new ATOM 0 HA LEU A 58 15.144 -13.858 1.699 1.00 53.32 H new ATOM 0 HB2 LEU A 58 12.856 -12.106 1.394 1.00 42.41 H new ATOM 0 HB3 LEU A 58 12.314 -13.771 1.469 1.00 42.41 H new ATOM 0 HG LEU A 58 14.257 -13.366 3.539 1.00 3.55 H new ATOM 0 HD11 LEU A 58 13.083 -11.660 4.875 1.00 60.54 H new ATOM 0 HD12 LEU A 58 13.736 -10.982 3.365 1.00 60.54 H new ATOM 0 HD13 LEU A 58 11.998 -11.338 3.501 1.00 60.54 H new ATOM 0 HD21 LEU A 58 12.365 -14.017 4.976 1.00 35.05 H new ATOM 0 HD22 LEU A 58 11.252 -13.789 3.606 1.00 35.05 H new ATOM 0 HD23 LEU A 58 12.494 -15.062 3.541 1.00 35.05 H new ATOM 959 N ASN A 59 13.480 -14.436 -1.084 1.00 14.25 N ATOM 960 CA ASN A 59 13.116 -15.476 -2.039 1.00 31.23 C ATOM 961 C ASN A 59 13.651 -15.149 -3.430 1.00 11.25 C ATOM 962 O ASN A 59 13.029 -14.401 -4.185 1.00 24.42 O ATOM 963 CB ASN A 59 11.596 -15.641 -2.091 1.00 33.14 C ATOM 964 CG ASN A 59 11.179 -17.061 -2.422 1.00 63.20 C ATOM 965 OD1 ASN A 59 11.638 -17.641 -3.407 1.00 10.44 O ATOM 966 ND2 ASN A 59 10.305 -17.629 -1.599 1.00 2.41 N ATOM 0 H ASN A 59 13.255 -13.488 -1.387 1.00 14.25 H new ATOM 0 HA ASN A 59 13.565 -16.412 -1.707 1.00 31.23 H new ATOM 0 HB2 ASN A 59 11.169 -15.355 -1.130 1.00 33.14 H new ATOM 0 HB3 ASN A 59 11.185 -14.961 -2.837 1.00 33.14 H new ATOM 0 HD21 ASN A 59 9.988 -18.583 -1.771 1.00 2.41 H new ATOM 0 HD22 ASN A 59 9.951 -17.111 -0.795 1.00 2.41 H new ATOM 973 N SER A 60 14.807 -15.714 -3.761 1.00 63.10 N ATOM 974 CA SER A 60 15.428 -15.480 -5.060 1.00 30.24 C ATOM 975 C SER A 60 14.394 -15.564 -6.179 1.00 4.23 C ATOM 976 O SER A 60 13.573 -16.481 -6.214 1.00 70.10 O ATOM 977 CB SER A 60 16.545 -16.496 -5.305 1.00 22.21 C ATOM 978 OG SER A 60 16.554 -16.929 -6.654 1.00 40.34 O ATOM 0 H SER A 60 15.333 -16.337 -3.148 1.00 63.10 H new ATOM 0 HA SER A 60 15.854 -14.477 -5.057 1.00 30.24 H new ATOM 0 HB2 SER A 60 17.508 -16.049 -5.057 1.00 22.21 H new ATOM 0 HB3 SER A 60 16.412 -17.354 -4.645 1.00 22.21 H new ATOM 0 HG SER A 60 17.278 -17.577 -6.785 1.00 40.34 H new ATOM 984 N LEU A 61 14.441 -14.600 -7.092 1.00 2.04 N ATOM 985 CA LEU A 61 13.509 -14.563 -8.214 1.00 4.25 C ATOM 986 C LEU A 61 13.428 -15.923 -8.899 1.00 32.12 C ATOM 987 O LEU A 61 14.450 -16.546 -9.188 1.00 13.04 O ATOM 988 CB LEU A 61 13.937 -13.496 -9.222 1.00 45.44 C ATOM 989 CG LEU A 61 15.298 -13.707 -9.887 1.00 24.24 C ATOM 990 CD1 LEU A 61 15.223 -13.390 -11.372 1.00 15.41 C ATOM 991 CD2 LEU A 61 16.361 -12.853 -9.210 1.00 54.12 C ATOM 0 H LEU A 61 15.114 -13.834 -7.078 1.00 2.04 H new ATOM 0 HA LEU A 61 12.521 -14.313 -7.827 1.00 4.25 H new ATOM 0 HB2 LEU A 61 13.179 -13.438 -10.003 1.00 45.44 H new ATOM 0 HB3 LEU A 61 13.948 -12.531 -8.716 1.00 45.44 H new ATOM 0 HG LEU A 61 15.576 -14.755 -9.775 1.00 24.24 H new ATOM 0 HD11 LEU A 61 16.201 -13.546 -11.827 1.00 15.41 H new ATOM 0 HD12 LEU A 61 14.493 -14.045 -11.847 1.00 15.41 H new ATOM 0 HD13 LEU A 61 14.921 -12.351 -11.508 1.00 15.41 H new ATOM 0 HD21 LEU A 61 17.323 -13.016 -9.696 1.00 54.12 H new ATOM 0 HD22 LEU A 61 16.088 -11.801 -9.290 1.00 54.12 H new ATOM 0 HD23 LEU A 61 16.435 -13.130 -8.158 1.00 54.12 H new ATOM 1003 N ARG A 62 12.206 -16.377 -9.158 1.00 51.11 N ATOM 1004 CA ARG A 62 11.991 -17.663 -9.811 1.00 10.24 C ATOM 1005 C ARG A 62 11.798 -17.484 -11.314 1.00 31.23 C ATOM 1006 O ARG A 62 10.722 -17.753 -11.848 1.00 53.52 O ATOM 1007 CB ARG A 62 10.773 -18.367 -9.209 1.00 42.33 C ATOM 1008 CG ARG A 62 10.860 -18.553 -7.703 1.00 73.43 C ATOM 1009 CD ARG A 62 9.688 -19.366 -7.174 1.00 40.25 C ATOM 1010 NE ARG A 62 10.116 -20.650 -6.627 1.00 34.34 N ATOM 1011 CZ ARG A 62 10.248 -21.753 -7.356 1.00 10.24 C ATOM 1012 NH1 ARG A 62 9.988 -21.727 -8.655 1.00 72.34 N ATOM 1013 NH2 ARG A 62 10.642 -22.884 -6.785 1.00 11.15 N ATOM 0 H ARG A 62 11.350 -15.874 -8.926 1.00 51.11 H new ATOM 0 HA ARG A 62 12.876 -18.278 -9.647 1.00 10.24 H new ATOM 0 HB2 ARG A 62 9.878 -17.791 -9.444 1.00 42.33 H new ATOM 0 HB3 ARG A 62 10.658 -19.343 -9.681 1.00 42.33 H new ATOM 0 HG2 ARG A 62 11.795 -19.053 -7.450 1.00 73.43 H new ATOM 0 HG3 ARG A 62 10.878 -17.578 -7.215 1.00 73.43 H new ATOM 0 HD2 ARG A 62 9.171 -18.797 -6.401 1.00 40.25 H new ATOM 0 HD3 ARG A 62 8.972 -19.535 -7.978 1.00 40.25 H new ATOM 0 HE ARG A 62 10.325 -20.703 -5.630 1.00 34.34 H new ATOM 0 HH11 ARG A 62 9.686 -20.859 -9.097 1.00 72.34 H new ATOM 0 HH12 ARG A 62 10.090 -22.575 -9.213 1.00 72.34 H new ATOM 0 HH21 ARG A 62 10.844 -22.907 -5.785 1.00 11.15 H new ATOM 0 HH22 ARG A 62 10.743 -23.730 -7.346 1.00 11.15 H new ATOM 1027 N PHE A 63 12.847 -17.029 -11.990 1.00 4.11 N ATOM 1028 CA PHE A 63 12.793 -16.813 -13.431 1.00 2.20 C ATOM 1029 C PHE A 63 12.503 -18.118 -14.166 1.00 63.12 C ATOM 1030 O PHE A 63 12.030 -19.085 -13.572 1.00 32.52 O ATOM 1031 CB PHE A 63 14.111 -16.216 -13.929 1.00 3.05 C ATOM 1032 CG PHE A 63 15.213 -17.227 -14.065 1.00 64.22 C ATOM 1033 CD1 PHE A 63 15.588 -18.013 -12.987 1.00 44.40 C ATOM 1034 CD2 PHE A 63 15.874 -17.393 -15.272 1.00 10.12 C ATOM 1035 CE1 PHE A 63 16.603 -18.943 -13.110 1.00 72.30 C ATOM 1036 CE2 PHE A 63 16.889 -18.322 -15.401 1.00 31.31 C ATOM 1037 CZ PHE A 63 17.253 -19.099 -14.319 1.00 30.24 C ATOM 0 H PHE A 63 13.745 -16.803 -11.563 1.00 4.11 H new ATOM 0 HA PHE A 63 11.984 -16.112 -13.638 1.00 2.20 H new ATOM 0 HB2 PHE A 63 13.943 -15.741 -14.896 1.00 3.05 H new ATOM 0 HB3 PHE A 63 14.429 -15.434 -13.240 1.00 3.05 H new ATOM 0 HD1 PHE A 63 15.081 -17.898 -12.040 1.00 44.40 H new ATOM 0 HD2 PHE A 63 15.592 -16.789 -16.122 1.00 10.12 H new ATOM 0 HE1 PHE A 63 16.888 -19.547 -12.261 1.00 72.30 H new ATOM 0 HE2 PHE A 63 17.397 -18.440 -16.347 1.00 31.31 H new ATOM 0 HZ PHE A 63 18.044 -19.827 -14.418 1.00 30.24 H new ATOM 1047 N ASN A 64 12.791 -18.136 -15.464 1.00 11.13 N ATOM 1048 CA ASN A 64 12.560 -19.321 -16.281 1.00 63.34 C ATOM 1049 C ASN A 64 11.067 -19.580 -16.456 1.00 52.40 C ATOM 1050 O ASN A 64 10.666 -20.569 -17.068 1.00 61.11 O ATOM 1051 CB ASN A 64 13.230 -20.542 -15.647 1.00 34.10 C ATOM 1052 CG ASN A 64 14.435 -21.016 -16.436 1.00 74.33 C ATOM 1053 OD1 ASN A 64 15.063 -20.241 -17.157 1.00 1.44 O ATOM 1054 ND2 ASN A 64 14.762 -22.296 -16.304 1.00 31.40 N ATOM 0 H ASN A 64 13.184 -17.344 -15.972 1.00 11.13 H new ATOM 0 HA ASN A 64 12.997 -19.144 -17.264 1.00 63.34 H new ATOM 0 HB2 ASN A 64 13.538 -20.297 -14.631 1.00 34.10 H new ATOM 0 HB3 ASN A 64 12.506 -21.353 -15.573 1.00 34.10 H new ATOM 0 HD21 ASN A 64 15.562 -22.673 -16.812 1.00 31.40 H new ATOM 0 HD22 ASN A 64 14.213 -22.902 -15.695 1.00 31.40 H new ATOM 1061 N GLN A 65 10.249 -18.682 -15.914 1.00 64.34 N ATOM 1062 CA GLN A 65 8.800 -18.814 -16.011 1.00 4.44 C ATOM 1063 C GLN A 65 8.146 -17.458 -16.256 1.00 1.15 C ATOM 1064 O GLN A 65 8.822 -16.481 -16.576 1.00 53.33 O ATOM 1065 CB GLN A 65 8.238 -19.441 -14.734 1.00 22.30 C ATOM 1066 CG GLN A 65 7.518 -20.759 -14.970 1.00 71.02 C ATOM 1067 CD GLN A 65 6.057 -20.706 -14.567 1.00 64.22 C ATOM 1068 OE1 GLN A 65 5.180 -20.476 -15.400 1.00 32.03 O ATOM 1069 NE2 GLN A 65 5.789 -20.920 -13.284 1.00 51.24 N ATOM 0 H GLN A 65 10.565 -17.857 -15.404 1.00 64.34 H new ATOM 0 HA GLN A 65 8.575 -19.464 -16.856 1.00 4.44 H new ATOM 0 HB2 GLN A 65 9.054 -19.603 -14.029 1.00 22.30 H new ATOM 0 HB3 GLN A 65 7.548 -18.738 -14.267 1.00 22.30 H new ATOM 0 HG2 GLN A 65 7.591 -21.025 -16.025 1.00 71.02 H new ATOM 0 HG3 GLN A 65 8.018 -21.548 -14.407 1.00 71.02 H new ATOM 0 HE21 GLN A 65 6.548 -21.107 -12.629 1.00 51.24 H new ATOM 0 HE22 GLN A 65 4.824 -20.897 -12.954 1.00 51.24 H new ATOM 1078 N ALA A 66 6.827 -17.407 -16.102 1.00 51.24 N ATOM 1079 CA ALA A 66 6.082 -16.171 -16.305 1.00 53.33 C ATOM 1080 C ALA A 66 6.492 -15.109 -15.290 1.00 63.14 C ATOM 1081 O ALA A 66 7.246 -15.387 -14.357 1.00 73.33 O ATOM 1082 CB ALA A 66 4.586 -16.436 -16.219 1.00 11.14 C ATOM 0 H ALA A 66 6.253 -18.207 -15.837 1.00 51.24 H new ATOM 0 HA ALA A 66 6.317 -15.794 -17.301 1.00 53.33 H new ATOM 0 HB1 ALA A 66 4.042 -15.504 -16.372 1.00 11.14 H new ATOM 0 HB2 ALA A 66 4.299 -17.154 -16.987 1.00 11.14 H new ATOM 0 HB3 ALA A 66 4.344 -16.840 -15.236 1.00 11.14 H new ATOM 1088 N ASP A 67 5.993 -13.893 -15.479 1.00 41.41 N ATOM 1089 CA ASP A 67 6.308 -12.789 -14.579 1.00 41.15 C ATOM 1090 C ASP A 67 6.257 -13.243 -13.124 1.00 3.10 C ATOM 1091 O ASP A 67 5.229 -13.725 -12.650 1.00 13.25 O ATOM 1092 CB ASP A 67 5.335 -11.630 -14.799 1.00 54.14 C ATOM 1093 CG ASP A 67 4.036 -11.812 -14.038 1.00 5.33 C ATOM 1094 OD1 ASP A 67 3.983 -11.415 -12.855 1.00 33.41 O ATOM 1095 OD2 ASP A 67 3.075 -12.351 -14.624 1.00 75.11 O ATOM 0 H ASP A 67 5.369 -13.646 -16.247 1.00 41.41 H new ATOM 0 HA ASP A 67 7.320 -12.450 -14.800 1.00 41.15 H new ATOM 0 HB2 ASP A 67 5.808 -10.699 -14.488 1.00 54.14 H new ATOM 0 HB3 ASP A 67 5.119 -11.538 -15.863 1.00 54.14 H new ATOM 1100 N TRP A 68 7.374 -13.087 -12.422 1.00 13.30 N ATOM 1101 CA TRP A 68 7.457 -13.482 -11.020 1.00 54.24 C ATOM 1102 C TRP A 68 7.618 -12.262 -10.120 1.00 22.23 C ATOM 1103 O TRP A 68 7.614 -11.124 -10.591 1.00 22.42 O ATOM 1104 CB TRP A 68 8.625 -14.446 -10.809 1.00 43.32 C ATOM 1105 CG TRP A 68 8.342 -15.509 -9.792 1.00 74.41 C ATOM 1106 CD1 TRP A 68 8.918 -15.641 -8.561 1.00 41.21 C ATOM 1107 CD2 TRP A 68 7.413 -16.591 -9.920 1.00 34.31 C ATOM 1108 NE1 TRP A 68 8.403 -16.739 -7.916 1.00 25.51 N ATOM 1109 CE2 TRP A 68 7.478 -17.339 -8.728 1.00 35.11 C ATOM 1110 CE3 TRP A 68 6.531 -17.000 -10.924 1.00 50.01 C ATOM 1111 CZ2 TRP A 68 6.695 -18.471 -8.516 1.00 62.22 C ATOM 1112 CZ3 TRP A 68 5.755 -18.124 -10.713 1.00 5.04 C ATOM 1113 CH2 TRP A 68 5.841 -18.849 -9.516 1.00 51.44 C ATOM 0 H TRP A 68 8.234 -12.690 -12.800 1.00 13.30 H new ATOM 0 HA TRP A 68 6.528 -13.986 -10.754 1.00 54.24 H new ATOM 0 HB2 TRP A 68 8.872 -14.919 -11.759 1.00 43.32 H new ATOM 0 HB3 TRP A 68 9.502 -13.879 -10.497 1.00 43.32 H new ATOM 0 HD1 TRP A 68 9.668 -14.979 -8.154 1.00 41.21 H new ATOM 0 HE1 TRP A 68 8.667 -17.056 -6.983 1.00 25.51 H new ATOM 0 HE3 TRP A 68 6.457 -16.447 -11.849 1.00 50.01 H new ATOM 0 HZ2 TRP A 68 6.760 -19.031 -7.595 1.00 62.22 H new ATOM 0 HZ3 TRP A 68 5.071 -18.449 -11.483 1.00 5.04 H new ATOM 0 HH2 TRP A 68 5.221 -19.723 -9.381 1.00 51.44 H new ATOM 1124 N THR A 69 7.761 -12.506 -8.820 1.00 53.15 N ATOM 1125 CA THR A 69 7.923 -11.427 -7.854 1.00 32.31 C ATOM 1126 C THR A 69 9.123 -11.677 -6.948 1.00 1.31 C ATOM 1127 O THR A 69 9.301 -12.778 -6.427 1.00 62.43 O ATOM 1128 CB THR A 69 6.663 -11.259 -6.983 1.00 42.04 C ATOM 1129 OG1 THR A 69 6.909 -11.759 -5.664 1.00 72.03 O ATOM 1130 CG2 THR A 69 5.480 -11.992 -7.597 1.00 14.12 C ATOM 0 H THR A 69 7.768 -13.441 -8.413 1.00 53.15 H new ATOM 0 HA THR A 69 8.086 -10.513 -8.425 1.00 32.31 H new ATOM 0 HB THR A 69 6.424 -10.197 -6.929 1.00 42.04 H new ATOM 0 HG1 THR A 69 6.104 -11.647 -5.116 1.00 72.03 H new ATOM 0 HG21 THR A 69 4.602 -11.859 -6.965 1.00 14.12 H new ATOM 0 HG22 THR A 69 5.277 -11.589 -8.589 1.00 14.12 H new ATOM 0 HG23 THR A 69 5.712 -13.054 -7.678 1.00 14.12 H new ATOM 1138 N ILE A 70 9.943 -10.648 -6.763 1.00 50.42 N ATOM 1139 CA ILE A 70 11.126 -10.756 -5.918 1.00 14.21 C ATOM 1140 C ILE A 70 10.991 -9.888 -4.671 1.00 22.51 C ATOM 1141 O ILE A 70 10.795 -8.677 -4.763 1.00 11.45 O ATOM 1142 CB ILE A 70 12.401 -10.347 -6.679 1.00 33.22 C ATOM 1143 CG1 ILE A 70 13.619 -10.429 -5.757 1.00 1.51 C ATOM 1144 CG2 ILE A 70 12.252 -8.943 -7.246 1.00 71.54 C ATOM 1145 CD1 ILE A 70 13.826 -11.798 -5.148 1.00 50.23 C ATOM 0 H ILE A 70 9.810 -9.730 -7.187 1.00 50.42 H new ATOM 0 HA ILE A 70 11.209 -11.802 -5.623 1.00 14.21 H new ATOM 0 HB ILE A 70 12.549 -11.038 -7.508 1.00 33.22 H new ATOM 0 HG12 ILE A 70 14.510 -10.153 -6.321 1.00 1.51 H new ATOM 0 HG13 ILE A 70 13.508 -9.697 -4.957 1.00 1.51 H new ATOM 0 HG21 ILE A 70 13.161 -8.668 -7.781 1.00 71.54 H new ATOM 0 HG22 ILE A 70 11.405 -8.915 -7.932 1.00 71.54 H new ATOM 0 HG23 ILE A 70 12.083 -8.238 -6.432 1.00 71.54 H new ATOM 0 HD11 ILE A 70 14.707 -11.781 -4.506 1.00 50.23 H new ATOM 0 HD12 ILE A 70 12.951 -12.069 -4.557 1.00 50.23 H new ATOM 0 HD13 ILE A 70 13.969 -12.531 -5.942 1.00 50.23 H new ATOM 1157 N VAL A 71 11.100 -10.517 -3.505 1.00 21.22 N ATOM 1158 CA VAL A 71 10.994 -9.803 -2.238 1.00 51.12 C ATOM 1159 C VAL A 71 12.361 -9.327 -1.759 1.00 72.03 C ATOM 1160 O VAL A 71 13.289 -10.122 -1.607 1.00 53.33 O ATOM 1161 CB VAL A 71 10.359 -10.686 -1.148 1.00 13.35 C ATOM 1162 CG1 VAL A 71 8.889 -10.934 -1.450 1.00 12.41 C ATOM 1163 CG2 VAL A 71 11.114 -12.000 -1.019 1.00 42.24 C ATOM 0 H VAL A 71 11.262 -11.520 -3.412 1.00 21.22 H new ATOM 0 HA VAL A 71 10.353 -8.939 -2.414 1.00 51.12 H new ATOM 0 HB VAL A 71 10.426 -10.160 -0.196 1.00 13.35 H new ATOM 0 HG11 VAL A 71 8.458 -11.560 -0.669 1.00 12.41 H new ATOM 0 HG12 VAL A 71 8.359 -9.982 -1.486 1.00 12.41 H new ATOM 0 HG13 VAL A 71 8.795 -11.438 -2.412 1.00 12.41 H new ATOM 0 HG21 VAL A 71 10.651 -12.611 -0.244 1.00 42.24 H new ATOM 0 HG22 VAL A 71 11.082 -12.533 -1.969 1.00 42.24 H new ATOM 0 HG23 VAL A 71 12.151 -11.799 -0.751 1.00 42.24 H new ATOM 1173 N VAL A 72 12.478 -8.024 -1.522 1.00 62.34 N ATOM 1174 CA VAL A 72 13.732 -7.442 -1.059 1.00 13.43 C ATOM 1175 C VAL A 72 13.570 -6.819 0.323 1.00 2.05 C ATOM 1176 O VAL A 72 12.697 -5.978 0.538 1.00 3.15 O ATOM 1177 CB VAL A 72 14.247 -6.368 -2.036 1.00 61.50 C ATOM 1178 CG1 VAL A 72 15.720 -6.082 -1.786 1.00 51.33 C ATOM 1179 CG2 VAL A 72 14.017 -6.804 -3.475 1.00 70.51 C ATOM 0 H VAL A 72 11.720 -7.352 -1.643 1.00 62.34 H new ATOM 0 HA VAL A 72 14.458 -8.253 -1.007 1.00 13.43 H new ATOM 0 HB VAL A 72 13.689 -5.448 -1.865 1.00 61.50 H new ATOM 0 HG11 VAL A 72 16.067 -5.321 -2.485 1.00 51.33 H new ATOM 0 HG12 VAL A 72 15.853 -5.724 -0.765 1.00 51.33 H new ATOM 0 HG13 VAL A 72 16.297 -6.996 -1.928 1.00 51.33 H new ATOM 0 HG21 VAL A 72 14.387 -6.034 -4.152 1.00 70.51 H new ATOM 0 HG22 VAL A 72 14.549 -7.737 -3.662 1.00 70.51 H new ATOM 0 HG23 VAL A 72 12.951 -6.954 -3.644 1.00 70.51 H new ATOM 1189 N ARG A 73 14.418 -7.237 1.258 1.00 71.44 N ATOM 1190 CA ARG A 73 14.369 -6.721 2.620 1.00 31.32 C ATOM 1191 C ARG A 73 15.464 -5.683 2.848 1.00 32.10 C ATOM 1192 O ARG A 73 16.651 -6.008 2.855 1.00 23.21 O ATOM 1193 CB ARG A 73 14.517 -7.864 3.627 1.00 43.23 C ATOM 1194 CG ARG A 73 15.745 -8.728 3.391 1.00 42.24 C ATOM 1195 CD ARG A 73 16.571 -8.881 4.658 1.00 11.34 C ATOM 1196 NE ARG A 73 15.793 -9.455 5.753 1.00 54.14 N ATOM 1197 CZ ARG A 73 16.328 -9.876 6.893 1.00 13.43 C ATOM 1198 NH1 ARG A 73 17.636 -9.786 7.088 1.00 21.33 N ATOM 1199 NH2 ARG A 73 15.553 -10.387 7.842 1.00 4.51 N ATOM 0 H ARG A 73 15.147 -7.932 1.096 1.00 71.44 H new ATOM 0 HA ARG A 73 13.401 -6.241 2.765 1.00 31.32 H new ATOM 0 HB2 ARG A 73 14.564 -7.447 4.633 1.00 43.23 H new ATOM 0 HB3 ARG A 73 13.627 -8.492 3.584 1.00 43.23 H new ATOM 0 HG2 ARG A 73 15.436 -9.711 3.036 1.00 42.24 H new ATOM 0 HG3 ARG A 73 16.358 -8.284 2.607 1.00 42.24 H new ATOM 0 HD2 ARG A 73 17.433 -9.516 4.454 1.00 11.34 H new ATOM 0 HD3 ARG A 73 16.957 -7.907 4.959 1.00 11.34 H new ATOM 0 HE ARG A 73 14.783 -9.537 5.635 1.00 54.14 H new ATOM 0 HH11 ARG A 73 18.234 -9.393 6.361 1.00 21.33 H new ATOM 0 HH12 ARG A 73 18.044 -10.110 7.965 1.00 21.33 H new ATOM 0 HH21 ARG A 73 14.546 -10.456 7.696 1.00 4.51 H new ATOM 0 HH22 ARG A 73 15.965 -10.710 8.717 1.00 4.51 H new ATOM 1213 N LYS A 74 15.056 -4.432 3.033 1.00 23.15 N ATOM 1214 CA LYS A 74 16.001 -3.345 3.262 1.00 31.23 C ATOM 1215 C LYS A 74 16.745 -3.539 4.580 1.00 75.01 C ATOM 1216 O LYS A 74 16.265 -4.229 5.480 1.00 62.12 O ATOM 1217 CB LYS A 74 15.271 -2.000 3.270 1.00 75.43 C ATOM 1218 CG LYS A 74 15.180 -1.350 1.900 1.00 33.01 C ATOM 1219 CD LYS A 74 16.385 -0.469 1.620 1.00 3.43 C ATOM 1220 CE LYS A 74 16.300 0.848 2.376 1.00 4.54 C ATOM 1221 NZ LYS A 74 15.088 1.627 2.000 1.00 60.02 N ATOM 0 H LYS A 74 14.077 -4.146 3.029 1.00 23.15 H new ATOM 0 HA LYS A 74 16.728 -3.352 2.450 1.00 31.23 H new ATOM 0 HB2 LYS A 74 14.264 -2.145 3.662 1.00 75.43 H new ATOM 0 HB3 LYS A 74 15.784 -1.322 3.952 1.00 75.43 H new ATOM 0 HG2 LYS A 74 15.107 -2.122 1.134 1.00 33.01 H new ATOM 0 HG3 LYS A 74 14.270 -0.753 1.839 1.00 33.01 H new ATOM 0 HD2 LYS A 74 17.296 -0.995 1.905 1.00 3.43 H new ATOM 0 HD3 LYS A 74 16.452 -0.272 0.550 1.00 3.43 H new ATOM 0 HE2 LYS A 74 16.287 0.651 3.448 1.00 4.54 H new ATOM 0 HE3 LYS A 74 17.191 1.442 2.172 1.00 4.54 H new ATOM 0 HZ1 LYS A 74 15.250 2.636 2.193 1.00 60.02 H new ATOM 0 HZ2 LYS A 74 14.891 1.495 0.987 1.00 60.02 H new ATOM 0 HZ3 LYS A 74 14.275 1.295 2.557 1.00 60.02 H new ATOM 1235 N LYS A 75 17.918 -2.925 4.688 1.00 52.23 N ATOM 1236 CA LYS A 75 18.727 -3.027 5.896 1.00 2.22 C ATOM 1237 C LYS A 75 19.973 -2.154 5.792 1.00 44.53 C ATOM 1238 O LYS A 75 20.417 -1.568 6.779 1.00 54.40 O ATOM 1239 CB LYS A 75 19.131 -4.482 6.143 1.00 33.31 C ATOM 1240 CG LYS A 75 18.812 -4.972 7.545 1.00 23.21 C ATOM 1241 CD LYS A 75 19.980 -4.751 8.492 1.00 50.12 C ATOM 1242 CE LYS A 75 20.046 -5.833 9.558 1.00 32.33 C ATOM 1243 NZ LYS A 75 21.431 -6.350 9.739 1.00 34.23 N ATOM 0 H LYS A 75 18.330 -2.351 3.952 1.00 52.23 H new ATOM 0 HA LYS A 75 18.127 -2.675 6.735 1.00 2.22 H new ATOM 0 HB2 LYS A 75 18.622 -5.119 5.420 1.00 33.31 H new ATOM 0 HB3 LYS A 75 20.201 -4.589 5.965 1.00 33.31 H new ATOM 0 HG2 LYS A 75 17.933 -4.450 7.922 1.00 23.21 H new ATOM 0 HG3 LYS A 75 18.564 -6.033 7.513 1.00 23.21 H new ATOM 0 HD2 LYS A 75 20.911 -4.739 7.926 1.00 50.12 H new ATOM 0 HD3 LYS A 75 19.884 -3.775 8.968 1.00 50.12 H new ATOM 0 HE2 LYS A 75 19.681 -5.433 10.504 1.00 32.33 H new ATOM 0 HE3 LYS A 75 19.385 -6.655 9.283 1.00 32.33 H new ATOM 0 HZ1 LYS A 75 21.434 -7.086 10.474 1.00 34.23 H new ATOM 0 HZ2 LYS A 75 21.770 -6.755 8.843 1.00 34.23 H new ATOM 0 HZ3 LYS A 75 22.057 -5.571 10.026 1.00 34.23 H new ATOM 1257 N ALA A 76 20.533 -2.070 4.589 1.00 31.21 N ATOM 1258 CA ALA A 76 21.726 -1.265 4.356 1.00 74.54 C ATOM 1259 C ALA A 76 22.846 -1.654 5.314 1.00 65.33 C ATOM 1260 O ALA A 76 23.506 -0.792 5.895 1.00 1.21 O ATOM 1261 CB ALA A 76 21.400 0.214 4.495 1.00 55.25 C ATOM 0 H ALA A 76 20.179 -2.550 3.761 1.00 31.21 H new ATOM 0 HA ALA A 76 22.070 -1.456 3.340 1.00 74.54 H new ATOM 0 HB1 ALA A 76 22.300 0.803 4.318 1.00 55.25 H new ATOM 0 HB2 ALA A 76 20.638 0.489 3.766 1.00 55.25 H new ATOM 0 HB3 ALA A 76 21.028 0.412 5.500 1.00 55.25 H new TER 1267 ALA A 76