USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=11 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -137:sc= -1.05 (180deg=-3.75!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 172:sc= -1.64 (180deg=-1.84) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.11 X(o=0.11,f=0) USER MOD Single : A 34 MET CE :methyl -116:sc= -1.6 (180deg=-2.48) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc=-0.00482 X(o=-0.0048,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 82:sc= 0.7 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0837 F(o=-0.63,f=-0.084) 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= -1.24 K(o=-1.2,f=-3.3) USER MOD Single : A 59 ASN : amide:sc= -0.0875 K(o=-0.087,f=-0.65) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.47 K(o=-0.47,f=-2.5) USER MOD Single : A 65 GLN : amide:sc= 0.103 K(o=0.1,f=-3.7!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -172:sc= -1.48 (180deg=-1.62) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.783 -3.225 -1.524 1.00 1.42 N ATOM 2 CA MET A 1 1.641 -2.058 -1.355 1.00 44.33 C ATOM 3 C MET A 1 3.107 -2.469 -1.266 1.00 24.50 C ATOM 4 O MET A 1 3.457 -3.621 -1.525 1.00 75.33 O ATOM 5 CB MET A 1 1.241 -1.280 -0.100 1.00 74.31 C ATOM 6 CG MET A 1 -0.245 -0.965 -0.029 1.00 22.42 C ATOM 7 SD MET A 1 -0.787 0.131 -1.353 1.00 43.34 S ATOM 8 CE MET A 1 -2.564 0.057 -1.148 1.00 55.32 C ATOM 0 H1 MET A 1 0.058 -3.022 -2.241 1.00 1.42 H new ATOM 0 H2 MET A 1 1.357 -4.036 -1.832 1.00 1.42 H new ATOM 0 H3 MET A 1 0.322 -3.451 -0.620 1.00 1.42 H new ATOM 0 HA MET A 1 1.514 -1.417 -2.227 1.00 44.33 H new ATOM 0 HB2 MET A 1 1.525 -1.856 0.781 1.00 74.31 H new ATOM 0 HB3 MET A 1 1.804 -0.347 -0.066 1.00 74.31 H new ATOM 0 HG2 MET A 1 -0.812 -1.895 -0.077 1.00 22.42 H new ATOM 0 HG3 MET A 1 -0.469 -0.504 0.933 1.00 22.42 H new ATOM 0 HE1 MET A 1 -3.043 0.687 -1.898 1.00 55.32 H new ATOM 0 HE2 MET A 1 -2.902 -0.972 -1.269 1.00 55.32 H new ATOM 0 HE3 MET A 1 -2.830 0.412 -0.152 1.00 55.32 H new ATOM 18 N LYS A 2 3.962 -1.521 -0.898 1.00 23.32 N ATOM 19 CA LYS A 2 5.391 -1.785 -0.773 1.00 51.22 C ATOM 20 C LYS A 2 5.875 -2.701 -1.893 1.00 11.13 C ATOM 21 O LYS A 2 6.659 -3.621 -1.659 1.00 44.54 O ATOM 22 CB LYS A 2 5.697 -2.418 0.586 1.00 0.42 C ATOM 23 CG LYS A 2 5.020 -3.760 0.798 1.00 34.44 C ATOM 24 CD LYS A 2 5.405 -4.374 2.134 1.00 72.41 C ATOM 25 CE LYS A 2 4.926 -5.814 2.244 1.00 2.13 C ATOM 26 NZ LYS A 2 4.952 -6.301 3.651 1.00 1.34 N ATOM 0 H LYS A 2 3.690 -0.562 -0.681 1.00 23.32 H new ATOM 0 HA LYS A 2 5.919 -0.834 -0.851 1.00 51.22 H new ATOM 0 HB2 LYS A 2 6.775 -2.545 0.684 1.00 0.42 H new ATOM 0 HB3 LYS A 2 5.384 -1.734 1.375 1.00 0.42 H new ATOM 0 HG2 LYS A 2 3.938 -3.634 0.753 1.00 34.44 H new ATOM 0 HG3 LYS A 2 5.296 -4.439 -0.009 1.00 34.44 H new ATOM 0 HD2 LYS A 2 6.488 -4.339 2.253 1.00 72.41 H new ATOM 0 HD3 LYS A 2 4.976 -3.784 2.944 1.00 72.41 H new ATOM 0 HE2 LYS A 2 3.912 -5.890 1.852 1.00 2.13 H new ATOM 0 HE3 LYS A 2 5.556 -6.454 1.626 1.00 2.13 H new ATOM 0 HZ1 LYS A 2 4.619 -7.286 3.684 1.00 1.34 H new ATOM 0 HZ2 LYS A 2 5.924 -6.252 4.017 1.00 1.34 H new ATOM 0 HZ3 LYS A 2 4.331 -5.706 4.236 1.00 1.34 H new ATOM 40 N ARG A 3 5.403 -2.442 -3.108 1.00 64.50 N ATOM 41 CA ARG A 3 5.789 -3.244 -4.263 1.00 53.14 C ATOM 42 C ARG A 3 5.950 -2.369 -5.503 1.00 13.31 C ATOM 43 O ARG A 3 5.487 -1.228 -5.535 1.00 31.22 O ATOM 44 CB ARG A 3 4.746 -4.332 -4.526 1.00 64.33 C ATOM 45 CG ARG A 3 3.446 -3.802 -5.108 1.00 70.40 C ATOM 46 CD ARG A 3 2.262 -4.121 -4.208 1.00 64.31 C ATOM 47 NE ARG A 3 1.087 -4.528 -4.973 1.00 71.13 N ATOM 48 CZ ARG A 3 0.951 -5.726 -5.530 1.00 61.33 C ATOM 49 NH1 ARG A 3 1.913 -6.631 -5.408 1.00 14.05 N ATOM 50 NH2 ARG A 3 -0.149 -6.022 -6.212 1.00 4.14 N ATOM 0 H ARG A 3 4.754 -1.684 -3.318 1.00 64.50 H new ATOM 0 HA ARG A 3 6.748 -3.714 -4.044 1.00 53.14 H new ATOM 0 HB2 ARG A 3 5.167 -5.069 -5.210 1.00 64.33 H new ATOM 0 HB3 ARG A 3 4.531 -4.851 -3.592 1.00 64.33 H new ATOM 0 HG2 ARG A 3 3.520 -2.723 -5.245 1.00 70.40 H new ATOM 0 HG3 ARG A 3 3.283 -4.238 -6.094 1.00 70.40 H new ATOM 0 HD2 ARG A 3 2.537 -4.917 -3.516 1.00 64.31 H new ATOM 0 HD3 ARG A 3 2.018 -3.245 -3.607 1.00 64.31 H new ATOM 0 HE ARG A 3 0.329 -3.855 -5.086 1.00 71.13 H new ATOM 0 HH11 ARG A 3 2.760 -6.408 -4.885 1.00 14.05 H new ATOM 0 HH12 ARG A 3 1.806 -7.550 -5.837 1.00 14.05 H new ATOM 0 HH21 ARG A 3 -0.891 -5.329 -6.309 1.00 4.14 H new ATOM 0 HH22 ARG A 3 -0.252 -6.942 -6.639 1.00 4.14 H new ATOM 64 N PHE A 4 6.609 -2.910 -6.522 1.00 23.14 N ATOM 65 CA PHE A 4 6.833 -2.178 -7.763 1.00 31.40 C ATOM 66 C PHE A 4 6.546 -3.061 -8.974 1.00 31.30 C ATOM 67 O PHE A 4 7.199 -4.085 -9.178 1.00 54.00 O ATOM 68 CB PHE A 4 8.272 -1.662 -7.824 1.00 21.45 C ATOM 69 CG PHE A 4 8.371 -0.201 -8.154 1.00 4.42 C ATOM 70 CD1 PHE A 4 7.669 0.739 -7.417 1.00 34.02 C ATOM 71 CD2 PHE A 4 9.168 0.234 -9.201 1.00 11.11 C ATOM 72 CE1 PHE A 4 7.758 2.085 -7.719 1.00 73.43 C ATOM 73 CE2 PHE A 4 9.261 1.579 -9.508 1.00 23.42 C ATOM 74 CZ PHE A 4 8.556 2.505 -8.765 1.00 51.12 C ATOM 0 H PHE A 4 6.997 -3.853 -6.513 1.00 23.14 H new ATOM 0 HA PHE A 4 6.149 -1.329 -7.783 1.00 31.40 H new ATOM 0 HB2 PHE A 4 8.755 -1.843 -6.864 1.00 21.45 H new ATOM 0 HB3 PHE A 4 8.823 -2.233 -8.571 1.00 21.45 H new ATOM 0 HD1 PHE A 4 7.045 0.416 -6.597 1.00 34.02 H new ATOM 0 HD2 PHE A 4 9.723 -0.486 -9.784 1.00 11.11 H new ATOM 0 HE1 PHE A 4 7.204 2.807 -7.138 1.00 73.43 H new ATOM 0 HE2 PHE A 4 9.884 1.905 -10.328 1.00 23.42 H new ATOM 0 HZ PHE A 4 8.629 3.556 -9.002 1.00 51.12 H new ATOM 84 N ASP A 5 5.565 -2.658 -9.773 1.00 52.44 N ATOM 85 CA ASP A 5 5.190 -3.411 -10.965 1.00 5.32 C ATOM 86 C ASP A 5 6.023 -2.976 -12.167 1.00 2.44 C ATOM 87 O ASP A 5 5.789 -1.914 -12.746 1.00 24.00 O ATOM 88 CB ASP A 5 3.702 -3.224 -11.265 1.00 64.34 C ATOM 89 CG ASP A 5 2.935 -4.531 -11.223 1.00 21.13 C ATOM 90 OD1 ASP A 5 3.207 -5.350 -10.320 1.00 22.22 O ATOM 91 OD2 ASP A 5 2.062 -4.734 -12.092 1.00 32.54 O ATOM 0 H ASP A 5 5.014 -1.814 -9.617 1.00 52.44 H new ATOM 0 HA ASP A 5 5.384 -4.466 -10.774 1.00 5.32 H new ATOM 0 HB2 ASP A 5 3.273 -2.531 -10.542 1.00 64.34 H new ATOM 0 HB3 ASP A 5 3.587 -2.770 -12.249 1.00 64.34 H new ATOM 96 N LEU A 6 6.996 -3.801 -12.536 1.00 21.43 N ATOM 97 CA LEU A 6 7.865 -3.502 -13.668 1.00 43.15 C ATOM 98 C LEU A 6 7.467 -4.322 -14.892 1.00 4.52 C ATOM 99 O LEU A 6 8.154 -4.303 -15.914 1.00 32.24 O ATOM 100 CB LEU A 6 9.324 -3.782 -13.305 1.00 65.41 C ATOM 101 CG LEU A 6 10.007 -2.741 -12.417 1.00 62.25 C ATOM 102 CD1 LEU A 6 9.916 -1.360 -13.048 1.00 31.23 C ATOM 103 CD2 LEU A 6 9.388 -2.737 -11.027 1.00 61.14 C ATOM 0 H LEU A 6 7.203 -4.683 -12.067 1.00 21.43 H new ATOM 0 HA LEU A 6 7.754 -2.445 -13.910 1.00 43.15 H new ATOM 0 HB2 LEU A 6 9.373 -4.748 -12.802 1.00 65.41 H new ATOM 0 HB3 LEU A 6 9.896 -3.874 -14.228 1.00 65.41 H new ATOM 0 HG LEU A 6 11.060 -3.006 -12.322 1.00 62.25 H new ATOM 0 HD11 LEU A 6 10.407 -0.632 -12.402 1.00 31.23 H new ATOM 0 HD12 LEU A 6 10.407 -1.372 -14.021 1.00 31.23 H new ATOM 0 HD13 LEU A 6 8.869 -1.086 -13.173 1.00 31.23 H new ATOM 0 HD21 LEU A 6 9.886 -1.990 -10.409 1.00 61.14 H new ATOM 0 HD22 LEU A 6 8.327 -2.497 -11.102 1.00 61.14 H new ATOM 0 HD23 LEU A 6 9.506 -3.721 -10.573 1.00 61.14 H new ATOM 115 N ARG A 7 6.353 -5.038 -14.781 1.00 5.11 N ATOM 116 CA ARG A 7 5.864 -5.863 -15.878 1.00 75.33 C ATOM 117 C ARG A 7 5.819 -5.067 -17.179 1.00 63.44 C ATOM 118 O ARG A 7 6.476 -5.405 -18.165 1.00 11.33 O ATOM 119 CB ARG A 7 4.471 -6.407 -15.553 1.00 62.31 C ATOM 120 CG ARG A 7 4.447 -7.905 -15.296 1.00 23.21 C ATOM 121 CD ARG A 7 3.236 -8.309 -14.470 1.00 23.33 C ATOM 122 NE ARG A 7 2.095 -8.665 -15.309 1.00 1.31 N ATOM 123 CZ ARG A 7 0.914 -9.033 -14.825 1.00 60.55 C ATOM 124 NH1 ARG A 7 0.720 -9.095 -13.515 1.00 40.53 N ATOM 125 NH2 ARG A 7 -0.076 -9.342 -15.653 1.00 51.33 N ATOM 0 H ARG A 7 5.773 -5.063 -13.943 1.00 5.11 H new ATOM 0 HA ARG A 7 6.553 -6.698 -16.006 1.00 75.33 H new ATOM 0 HB2 ARG A 7 4.084 -5.890 -14.675 1.00 62.31 H new ATOM 0 HB3 ARG A 7 3.799 -6.178 -16.380 1.00 62.31 H new ATOM 0 HG2 ARG A 7 4.435 -8.438 -16.247 1.00 23.21 H new ATOM 0 HG3 ARG A 7 5.358 -8.201 -14.776 1.00 23.21 H new ATOM 0 HD2 ARG A 7 3.497 -9.155 -13.835 1.00 23.33 H new ATOM 0 HD3 ARG A 7 2.958 -7.488 -13.809 1.00 23.33 H new ATOM 0 HE ARG A 7 2.211 -8.629 -16.322 1.00 1.31 H new ATOM 0 HH11 ARG A 7 1.479 -8.860 -12.875 1.00 40.53 H new ATOM 0 HH12 ARG A 7 -0.188 -9.378 -13.147 1.00 40.53 H new ATOM 0 HH21 ARG A 7 0.070 -9.297 -16.662 1.00 51.33 H new ATOM 0 HH22 ARG A 7 -0.983 -9.625 -15.281 1.00 51.33 H new ATOM 139 N PRO A 8 5.026 -3.986 -17.185 1.00 5.50 N ATOM 140 CA PRO A 8 4.877 -3.119 -18.358 1.00 64.42 C ATOM 141 C PRO A 8 6.140 -2.316 -18.650 1.00 64.41 C ATOM 142 O PRO A 8 6.247 -1.663 -19.689 1.00 12.01 O ATOM 143 CB PRO A 8 3.729 -2.186 -17.967 1.00 20.25 C ATOM 144 CG PRO A 8 3.754 -2.159 -16.477 1.00 72.42 C ATOM 145 CD PRO A 8 4.215 -3.524 -16.046 1.00 71.21 C ATOM 0 HA PRO A 8 4.688 -3.692 -19.266 1.00 64.42 H new ATOM 0 HB2 PRO A 8 3.870 -1.189 -18.384 1.00 20.25 H new ATOM 0 HB3 PRO A 8 2.774 -2.555 -18.340 1.00 20.25 H new ATOM 0 HG2 PRO A 8 4.430 -1.386 -16.112 1.00 72.42 H new ATOM 0 HG3 PRO A 8 2.766 -1.935 -16.074 1.00 72.42 H new ATOM 0 HD2 PRO A 8 4.801 -3.479 -15.128 1.00 71.21 H new ATOM 0 HD3 PRO A 8 3.374 -4.190 -15.855 1.00 71.21 H new ATOM 153 N LEU A 9 7.096 -2.369 -17.729 1.00 33.35 N ATOM 154 CA LEU A 9 8.353 -1.647 -17.887 1.00 40.24 C ATOM 155 C LEU A 9 9.340 -2.450 -18.729 1.00 11.22 C ATOM 156 O LEU A 9 9.377 -3.678 -18.658 1.00 22.40 O ATOM 157 CB LEU A 9 8.964 -1.339 -16.519 1.00 72.51 C ATOM 158 CG LEU A 9 9.067 0.140 -16.147 1.00 41.12 C ATOM 159 CD1 LEU A 9 8.142 0.464 -14.984 1.00 61.12 C ATOM 160 CD2 LEU A 9 10.504 0.505 -15.806 1.00 3.14 C ATOM 0 H LEU A 9 7.024 -2.905 -16.864 1.00 33.35 H new ATOM 0 HA LEU A 9 8.142 -0.710 -18.402 1.00 40.24 H new ATOM 0 HB2 LEU A 9 8.371 -1.844 -15.757 1.00 72.51 H new ATOM 0 HB3 LEU A 9 9.964 -1.772 -16.484 1.00 72.51 H new ATOM 0 HG LEU A 9 8.757 0.734 -17.007 1.00 41.12 H new ATOM 0 HD11 LEU A 9 8.229 1.521 -14.733 1.00 61.12 H new ATOM 0 HD12 LEU A 9 7.113 0.241 -15.265 1.00 61.12 H new ATOM 0 HD13 LEU A 9 8.420 -0.138 -14.119 1.00 61.12 H new ATOM 0 HD21 LEU A 9 10.559 1.562 -15.544 1.00 3.14 H new ATOM 0 HD22 LEU A 9 10.842 -0.096 -14.962 1.00 3.14 H new ATOM 0 HD23 LEU A 9 11.143 0.312 -16.668 1.00 3.14 H new ATOM 172 N LYS A 10 10.140 -1.747 -19.524 1.00 31.51 N ATOM 173 CA LYS A 10 11.131 -2.393 -20.377 1.00 35.21 C ATOM 174 C LYS A 10 12.419 -2.662 -19.607 1.00 24.24 C ATOM 175 O LYS A 10 12.659 -2.072 -18.554 1.00 12.13 O ATOM 176 CB LYS A 10 11.427 -1.522 -21.599 1.00 51.53 C ATOM 177 CG LYS A 10 12.253 -0.288 -21.281 1.00 3.34 C ATOM 178 CD LYS A 10 12.486 0.563 -22.518 1.00 73.21 C ATOM 179 CE LYS A 10 11.252 1.379 -22.873 1.00 64.02 C ATOM 180 NZ LYS A 10 10.931 1.296 -24.325 1.00 23.11 N ATOM 0 H LYS A 10 10.121 -0.730 -19.595 1.00 31.51 H new ATOM 0 HA LYS A 10 10.721 -3.347 -20.709 1.00 35.21 H new ATOM 0 HB2 LYS A 10 11.954 -2.120 -22.342 1.00 51.53 H new ATOM 0 HB3 LYS A 10 10.485 -1.212 -22.050 1.00 51.53 H new ATOM 0 HG2 LYS A 10 11.744 0.305 -20.521 1.00 3.34 H new ATOM 0 HG3 LYS A 10 13.212 -0.590 -20.860 1.00 3.34 H new ATOM 0 HD2 LYS A 10 13.329 1.232 -22.347 1.00 73.21 H new ATOM 0 HD3 LYS A 10 12.753 -0.079 -23.358 1.00 73.21 H new ATOM 0 HE2 LYS A 10 10.401 1.023 -22.292 1.00 64.02 H new ATOM 0 HE3 LYS A 10 11.413 2.421 -22.596 1.00 64.02 H new ATOM 0 HZ1 LYS A 10 10.084 1.865 -24.526 1.00 23.11 H new ATOM 0 HZ2 LYS A 10 11.732 1.660 -24.879 1.00 23.11 H new ATOM 0 HZ3 LYS A 10 10.752 0.305 -24.585 1.00 23.11 H new ATOM 194 N ALA A 11 13.246 -3.556 -20.140 1.00 4.45 N ATOM 195 CA ALA A 11 14.512 -3.900 -19.504 1.00 1.53 C ATOM 196 C ALA A 11 15.494 -2.734 -19.569 1.00 33.30 C ATOM 197 O ALA A 11 15.541 -2.004 -20.558 1.00 73.20 O ATOM 198 CB ALA A 11 15.113 -5.135 -20.158 1.00 34.25 C ATOM 0 H ALA A 11 13.062 -4.055 -21.010 1.00 4.45 H new ATOM 0 HA ALA A 11 14.315 -4.118 -18.454 1.00 1.53 H new ATOM 0 HB1 ALA A 11 16.058 -5.380 -19.673 1.00 34.25 H new ATOM 0 HB2 ALA A 11 14.424 -5.973 -20.055 1.00 34.25 H new ATOM 0 HB3 ALA A 11 15.288 -4.938 -21.216 1.00 34.25 H new ATOM 204 N GLY A 12 16.276 -2.565 -18.507 1.00 64.44 N ATOM 205 CA GLY A 12 17.246 -1.486 -18.465 1.00 32.33 C ATOM 206 C GLY A 12 16.834 -0.374 -17.521 1.00 30.13 C ATOM 207 O GLY A 12 17.654 0.136 -16.756 1.00 71.54 O ATOM 0 H GLY A 12 16.255 -3.156 -17.676 1.00 64.44 H new ATOM 0 HA2 GLY A 12 18.213 -1.882 -18.155 1.00 32.33 H new ATOM 0 HA3 GLY A 12 17.375 -1.078 -19.468 1.00 32.33 H new ATOM 211 N ILE A 13 15.561 0.004 -17.574 1.00 45.54 N ATOM 212 CA ILE A 13 15.043 1.064 -16.718 1.00 24.12 C ATOM 213 C ILE A 13 14.329 0.487 -15.500 1.00 60.45 C ATOM 214 O ILE A 13 14.297 1.104 -14.436 1.00 33.24 O ATOM 215 CB ILE A 13 14.071 1.981 -17.483 1.00 11.25 C ATOM 216 CG1 ILE A 13 14.665 2.375 -18.836 1.00 40.14 C ATOM 217 CG2 ILE A 13 13.751 3.219 -16.658 1.00 3.12 C ATOM 218 CD1 ILE A 13 13.761 3.270 -19.655 1.00 45.14 C ATOM 0 H ILE A 13 14.870 -0.408 -18.201 1.00 45.54 H new ATOM 0 HA ILE A 13 15.900 1.652 -16.389 1.00 24.12 H new ATOM 0 HB ILE A 13 13.144 1.436 -17.660 1.00 11.25 H new ATOM 0 HG12 ILE A 13 15.615 2.884 -18.672 1.00 40.14 H new ATOM 0 HG13 ILE A 13 14.881 1.471 -19.406 1.00 40.14 H new ATOM 0 HG21 ILE A 13 13.063 3.858 -17.212 1.00 3.12 H new ATOM 0 HG22 ILE A 13 13.290 2.920 -15.717 1.00 3.12 H new ATOM 0 HG23 ILE A 13 14.670 3.768 -16.454 1.00 3.12 H new ATOM 0 HD11 ILE A 13 14.246 3.509 -20.601 1.00 45.14 H new ATOM 0 HD12 ILE A 13 12.820 2.756 -19.850 1.00 45.14 H new ATOM 0 HD13 ILE A 13 13.565 4.190 -19.105 1.00 45.14 H new ATOM 230 N PHE A 14 13.758 -0.702 -15.665 1.00 25.32 N ATOM 231 CA PHE A 14 13.045 -1.364 -14.579 1.00 31.40 C ATOM 232 C PHE A 14 13.970 -1.609 -13.390 1.00 74.32 C ATOM 233 O PHE A 14 13.514 -1.759 -12.257 1.00 54.21 O ATOM 234 CB PHE A 14 12.455 -2.691 -15.062 1.00 52.23 C ATOM 235 CG PHE A 14 13.450 -3.815 -15.090 1.00 22.12 C ATOM 236 CD1 PHE A 14 14.631 -3.695 -15.805 1.00 20.43 C ATOM 237 CD2 PHE A 14 13.205 -4.992 -14.401 1.00 71.20 C ATOM 238 CE1 PHE A 14 15.549 -4.728 -15.832 1.00 24.02 C ATOM 239 CE2 PHE A 14 14.120 -6.028 -14.424 1.00 53.11 C ATOM 240 CZ PHE A 14 15.293 -5.896 -15.141 1.00 73.23 C ATOM 0 H PHE A 14 13.775 -1.226 -16.540 1.00 25.32 H new ATOM 0 HA PHE A 14 12.235 -0.709 -14.258 1.00 31.40 H new ATOM 0 HB2 PHE A 14 11.625 -2.968 -14.413 1.00 52.23 H new ATOM 0 HB3 PHE A 14 12.045 -2.554 -16.063 1.00 52.23 H new ATOM 0 HD1 PHE A 14 14.836 -2.784 -16.347 1.00 20.43 H new ATOM 0 HD2 PHE A 14 12.289 -5.101 -13.840 1.00 71.20 H new ATOM 0 HE1 PHE A 14 16.466 -4.622 -16.393 1.00 24.02 H new ATOM 0 HE2 PHE A 14 13.918 -6.940 -13.882 1.00 53.11 H new ATOM 0 HZ PHE A 14 16.009 -6.705 -15.161 1.00 73.23 H new ATOM 250 N GLU A 15 15.271 -1.649 -13.659 1.00 31.43 N ATOM 251 CA GLU A 15 16.260 -1.878 -12.611 1.00 54.35 C ATOM 252 C GLU A 15 16.679 -0.562 -11.963 1.00 1.40 C ATOM 253 O GLU A 15 17.051 -0.526 -10.790 1.00 64.30 O ATOM 254 CB GLU A 15 17.486 -2.591 -13.184 1.00 45.41 C ATOM 255 CG GLU A 15 18.655 -2.665 -12.215 1.00 53.24 C ATOM 256 CD GLU A 15 19.787 -1.730 -12.594 1.00 61.24 C ATOM 257 OE1 GLU A 15 20.291 -1.839 -13.732 1.00 3.35 O ATOM 258 OE2 GLU A 15 20.169 -0.890 -11.753 1.00 13.21 O ATOM 0 H GLU A 15 15.665 -1.526 -14.592 1.00 31.43 H new ATOM 0 HA GLU A 15 15.805 -2.510 -11.848 1.00 54.35 H new ATOM 0 HB2 GLU A 15 17.204 -3.602 -13.478 1.00 45.41 H new ATOM 0 HB3 GLU A 15 17.807 -2.074 -14.089 1.00 45.41 H new ATOM 0 HG2 GLU A 15 18.307 -2.420 -11.212 1.00 53.24 H new ATOM 0 HG3 GLU A 15 19.030 -3.688 -12.181 1.00 53.24 H new ATOM 265 N ARG A 16 16.616 0.518 -12.735 1.00 43.13 N ATOM 266 CA ARG A 16 16.991 1.836 -12.238 1.00 1.34 C ATOM 267 C ARG A 16 15.877 2.431 -11.382 1.00 14.31 C ATOM 268 O ARG A 16 16.131 2.994 -10.316 1.00 52.10 O ATOM 269 CB ARG A 16 17.309 2.774 -13.404 1.00 30.21 C ATOM 270 CG ARG A 16 18.797 2.925 -13.676 1.00 32.12 C ATOM 271 CD ARG A 16 19.077 3.101 -15.160 1.00 72.21 C ATOM 272 NE ARG A 16 19.507 4.460 -15.479 1.00 23.54 N ATOM 273 CZ ARG A 16 19.460 4.978 -16.701 1.00 21.13 C ATOM 274 NH1 ARG A 16 19.003 4.255 -17.714 1.00 24.11 N ATOM 275 NH2 ARG A 16 19.870 6.222 -16.911 1.00 51.31 N ATOM 0 H ARG A 16 16.309 0.506 -13.708 1.00 43.13 H new ATOM 0 HA ARG A 16 17.881 1.723 -11.619 1.00 1.34 H new ATOM 0 HB2 ARG A 16 16.820 2.400 -14.304 1.00 30.21 H new ATOM 0 HB3 ARG A 16 16.885 3.756 -13.195 1.00 30.21 H new ATOM 0 HG2 ARG A 16 19.183 3.784 -13.127 1.00 32.12 H new ATOM 0 HG3 ARG A 16 19.326 2.047 -13.306 1.00 32.12 H new ATOM 0 HD2 ARG A 16 19.848 2.395 -15.470 1.00 72.21 H new ATOM 0 HD3 ARG A 16 18.179 2.862 -15.729 1.00 72.21 H new ATOM 0 HE ARG A 16 19.863 5.043 -14.722 1.00 23.54 H new ATOM 0 HH11 ARG A 16 18.686 3.298 -17.556 1.00 24.11 H new ATOM 0 HH12 ARG A 16 18.968 4.655 -18.651 1.00 24.11 H new ATOM 0 HH21 ARG A 16 20.222 6.781 -16.134 1.00 51.31 H new ATOM 0 HH22 ARG A 16 19.834 6.619 -17.850 1.00 51.31 H new ATOM 289 N LEU A 17 14.642 2.304 -11.855 1.00 61.25 N ATOM 290 CA LEU A 17 13.488 2.829 -11.134 1.00 51.24 C ATOM 291 C LEU A 17 13.264 2.064 -9.834 1.00 10.32 C ATOM 292 O LEU A 17 12.683 2.591 -8.885 1.00 45.24 O ATOM 293 CB LEU A 17 12.235 2.749 -12.009 1.00 24.41 C ATOM 294 CG LEU A 17 11.592 4.084 -12.385 1.00 64.11 C ATOM 295 CD1 LEU A 17 11.170 4.843 -11.137 1.00 51.30 C ATOM 296 CD2 LEU A 17 12.550 4.920 -13.222 1.00 31.02 C ATOM 0 H LEU A 17 14.414 1.842 -12.735 1.00 61.25 H new ATOM 0 HA LEU A 17 13.687 3.873 -10.890 1.00 51.24 H new ATOM 0 HB2 LEU A 17 12.491 2.221 -12.927 1.00 24.41 H new ATOM 0 HB3 LEU A 17 11.492 2.144 -11.490 1.00 24.41 H new ATOM 0 HG LEU A 17 10.702 3.882 -12.981 1.00 64.11 H new ATOM 0 HD11 LEU A 17 10.714 5.791 -11.424 1.00 51.30 H new ATOM 0 HD12 LEU A 17 10.449 4.249 -10.576 1.00 51.30 H new ATOM 0 HD13 LEU A 17 12.044 5.035 -10.515 1.00 51.30 H new ATOM 0 HD21 LEU A 17 12.076 5.867 -13.481 1.00 31.02 H new ATOM 0 HD22 LEU A 17 13.458 5.113 -12.651 1.00 31.02 H new ATOM 0 HD23 LEU A 17 12.803 4.380 -14.134 1.00 31.02 H new ATOM 308 N GLU A 18 13.730 0.820 -9.797 1.00 65.02 N ATOM 309 CA GLU A 18 13.582 -0.016 -8.612 1.00 32.21 C ATOM 310 C GLU A 18 14.225 0.644 -7.396 1.00 11.31 C ATOM 311 O GLU A 18 13.795 0.433 -6.263 1.00 14.34 O ATOM 312 CB GLU A 18 14.208 -1.392 -8.849 1.00 71.13 C ATOM 313 CG GLU A 18 13.326 -2.547 -8.405 1.00 50.12 C ATOM 314 CD GLU A 18 13.125 -3.581 -9.496 1.00 52.53 C ATOM 315 OE1 GLU A 18 14.076 -4.340 -9.776 1.00 2.02 O ATOM 316 OE2 GLU A 18 12.017 -3.630 -10.071 1.00 22.04 O ATOM 0 H GLU A 18 14.213 0.369 -10.574 1.00 65.02 H new ATOM 0 HA GLU A 18 12.517 -0.138 -8.417 1.00 32.21 H new ATOM 0 HB2 GLU A 18 14.430 -1.503 -9.910 1.00 71.13 H new ATOM 0 HB3 GLU A 18 15.158 -1.446 -8.317 1.00 71.13 H new ATOM 0 HG2 GLU A 18 13.772 -3.026 -7.534 1.00 50.12 H new ATOM 0 HG3 GLU A 18 12.356 -2.160 -8.094 1.00 50.12 H new ATOM 323 N GLU A 19 15.258 1.444 -7.641 1.00 63.14 N ATOM 324 CA GLU A 19 15.962 2.134 -6.566 1.00 75.05 C ATOM 325 C GLU A 19 15.217 3.401 -6.155 1.00 23.01 C ATOM 326 O GLU A 19 15.360 3.881 -5.029 1.00 72.42 O ATOM 327 CB GLU A 19 17.386 2.485 -7.002 1.00 31.33 C ATOM 328 CG GLU A 19 18.110 3.404 -6.032 1.00 73.31 C ATOM 329 CD GLU A 19 18.143 4.843 -6.507 1.00 45.25 C ATOM 330 OE1 GLU A 19 17.157 5.283 -7.135 1.00 3.42 O ATOM 331 OE2 GLU A 19 19.155 5.529 -6.253 1.00 2.22 O ATOM 0 H GLU A 19 15.626 1.630 -8.574 1.00 63.14 H new ATOM 0 HA GLU A 19 16.008 1.465 -5.707 1.00 75.05 H new ATOM 0 HB2 GLU A 19 17.960 1.565 -7.115 1.00 31.33 H new ATOM 0 HB3 GLU A 19 17.350 2.961 -7.982 1.00 31.33 H new ATOM 0 HG2 GLU A 19 17.621 3.358 -5.059 1.00 73.31 H new ATOM 0 HG3 GLU A 19 19.131 3.048 -5.893 1.00 73.31 H new ATOM 338 N LEU A 20 14.424 3.939 -7.074 1.00 74.34 N ATOM 339 CA LEU A 20 13.656 5.151 -6.809 1.00 23.33 C ATOM 340 C LEU A 20 12.636 4.917 -5.699 1.00 40.12 C ATOM 341 O LEU A 20 12.354 5.813 -4.903 1.00 42.21 O ATOM 342 CB LEU A 20 12.946 5.617 -8.081 1.00 11.35 C ATOM 343 CG LEU A 20 13.414 6.953 -8.659 1.00 62.24 C ATOM 344 CD1 LEU A 20 14.404 6.726 -9.792 1.00 13.21 C ATOM 345 CD2 LEU A 20 12.225 7.771 -9.143 1.00 65.40 C ATOM 0 H LEU A 20 14.295 3.555 -8.010 1.00 74.34 H new ATOM 0 HA LEU A 20 14.349 5.927 -6.483 1.00 23.33 H new ATOM 0 HB2 LEU A 20 13.071 4.850 -8.845 1.00 11.35 H new ATOM 0 HB3 LEU A 20 11.879 5.688 -7.872 1.00 11.35 H new ATOM 0 HG LEU A 20 13.917 7.512 -7.870 1.00 62.24 H new ATOM 0 HD11 LEU A 20 14.726 7.688 -10.192 1.00 13.21 H new ATOM 0 HD12 LEU A 20 15.269 6.181 -9.415 1.00 13.21 H new ATOM 0 HD13 LEU A 20 13.926 6.147 -10.582 1.00 13.21 H new ATOM 0 HD21 LEU A 20 12.577 8.718 -9.551 1.00 65.40 H new ATOM 0 HD22 LEU A 20 11.694 7.218 -9.917 1.00 65.40 H new ATOM 0 HD23 LEU A 20 11.552 7.964 -8.308 1.00 65.40 H new ATOM 357 N ILE A 21 12.088 3.708 -5.652 1.00 33.31 N ATOM 358 CA ILE A 21 11.102 3.356 -4.638 1.00 34.31 C ATOM 359 C ILE A 21 11.776 2.843 -3.370 1.00 72.30 C ATOM 360 O ILE A 21 11.290 3.069 -2.262 1.00 40.04 O ATOM 361 CB ILE A 21 10.121 2.286 -5.153 1.00 62.35 C ATOM 362 CG1 ILE A 21 9.034 2.014 -4.111 1.00 64.13 C ATOM 363 CG2 ILE A 21 10.867 1.005 -5.495 1.00 62.42 C ATOM 364 CD1 ILE A 21 8.203 3.232 -3.773 1.00 64.22 C ATOM 0 H ILE A 21 12.310 2.956 -6.304 1.00 33.31 H new ATOM 0 HA ILE A 21 10.547 4.266 -4.409 1.00 34.31 H new ATOM 0 HB ILE A 21 9.643 2.659 -6.059 1.00 62.35 H new ATOM 0 HG12 ILE A 21 8.377 1.227 -4.480 1.00 64.13 H new ATOM 0 HG13 ILE A 21 9.501 1.638 -3.200 1.00 64.13 H new ATOM 0 HG21 ILE A 21 10.161 0.258 -5.858 1.00 62.42 H new ATOM 0 HG22 ILE A 21 11.607 1.210 -6.269 1.00 62.42 H new ATOM 0 HG23 ILE A 21 11.369 0.627 -4.604 1.00 62.42 H new ATOM 0 HD11 ILE A 21 7.453 2.965 -3.029 1.00 64.22 H new ATOM 0 HD12 ILE A 21 8.849 4.014 -3.373 1.00 64.22 H new ATOM 0 HD13 ILE A 21 7.708 3.596 -4.673 1.00 64.22 H new ATOM 376 N GLU A 22 12.899 2.152 -3.541 1.00 51.24 N ATOM 377 CA GLU A 22 13.640 1.608 -2.410 1.00 4.11 C ATOM 378 C GLU A 22 14.110 2.723 -1.480 1.00 50.42 C ATOM 379 O GLU A 22 14.313 2.507 -0.285 1.00 54.41 O ATOM 380 CB GLU A 22 14.842 0.799 -2.901 1.00 64.31 C ATOM 381 CG GLU A 22 14.940 -0.584 -2.279 1.00 70.35 C ATOM 382 CD GLU A 22 15.173 -1.672 -3.310 1.00 50.00 C ATOM 383 OE1 GLU A 22 15.729 -1.363 -4.384 1.00 42.14 O ATOM 384 OE2 GLU A 22 14.799 -2.833 -3.041 1.00 51.12 O ATOM 0 H GLU A 22 13.315 1.956 -4.452 1.00 51.24 H new ATOM 0 HA GLU A 22 12.972 0.951 -1.853 1.00 4.11 H new ATOM 0 HB2 GLU A 22 14.783 0.697 -3.985 1.00 64.31 H new ATOM 0 HB3 GLU A 22 15.755 1.352 -2.682 1.00 64.31 H new ATOM 0 HG2 GLU A 22 15.754 -0.595 -1.554 1.00 70.35 H new ATOM 0 HG3 GLU A 22 14.022 -0.798 -1.731 1.00 70.35 H new ATOM 391 N LYS A 23 14.282 3.917 -2.038 1.00 12.13 N ATOM 392 CA LYS A 23 14.727 5.068 -1.261 1.00 13.01 C ATOM 393 C LYS A 23 13.625 5.550 -0.323 1.00 31.15 C ATOM 394 O LYS A 23 13.901 6.041 0.772 1.00 75.14 O ATOM 395 CB LYS A 23 15.151 6.205 -2.193 1.00 0.21 C ATOM 396 CG LYS A 23 16.654 6.298 -2.394 1.00 54.21 C ATOM 397 CD LYS A 23 17.291 7.253 -1.399 1.00 44.21 C ATOM 398 CE LYS A 23 18.462 6.605 -0.676 1.00 33.23 C ATOM 399 NZ LYS A 23 19.757 6.886 -1.354 1.00 24.51 N ATOM 0 H LYS A 23 14.120 4.113 -3.026 1.00 12.13 H new ATOM 0 HA LYS A 23 15.583 4.760 -0.660 1.00 13.01 H new ATOM 0 HB2 LYS A 23 14.671 6.067 -3.162 1.00 0.21 H new ATOM 0 HB3 LYS A 23 14.788 7.150 -1.789 1.00 0.21 H new ATOM 0 HG2 LYS A 23 17.098 5.309 -2.286 1.00 54.21 H new ATOM 0 HG3 LYS A 23 16.866 6.634 -3.409 1.00 54.21 H new ATOM 0 HD2 LYS A 23 17.633 8.147 -1.919 1.00 44.21 H new ATOM 0 HD3 LYS A 23 16.545 7.573 -0.672 1.00 44.21 H new ATOM 0 HE2 LYS A 23 18.503 6.971 0.350 1.00 33.23 H new ATOM 0 HE3 LYS A 23 18.306 5.528 -0.624 1.00 33.23 H new ATOM 0 HZ1 LYS A 23 20.530 6.427 -0.831 1.00 24.51 H new ATOM 0 HZ2 LYS A 23 19.728 6.515 -2.325 1.00 24.51 H new ATOM 0 HZ3 LYS A 23 19.919 7.913 -1.381 1.00 24.51 H new ATOM 413 N GLU A 24 12.377 5.405 -0.758 1.00 63.30 N ATOM 414 CA GLU A 24 11.235 5.825 0.045 1.00 51.12 C ATOM 415 C GLU A 24 10.894 4.775 1.098 1.00 60.20 C ATOM 416 O GLU A 24 10.509 5.107 2.219 1.00 62.23 O ATOM 417 CB GLU A 24 10.020 6.079 -0.850 1.00 61.23 C ATOM 418 CG GLU A 24 9.312 7.391 -0.558 1.00 31.23 C ATOM 419 CD GLU A 24 7.853 7.197 -0.190 1.00 45.33 C ATOM 420 OE1 GLU A 24 7.179 6.378 -0.848 1.00 21.52 O ATOM 421 OE2 GLU A 24 7.387 7.866 0.756 1.00 51.13 O ATOM 0 H GLU A 24 12.132 5.000 -1.661 1.00 63.30 H new ATOM 0 HA GLU A 24 11.503 6.751 0.554 1.00 51.12 H new ATOM 0 HB2 GLU A 24 10.339 6.072 -1.892 1.00 61.23 H new ATOM 0 HB3 GLU A 24 9.312 5.259 -0.728 1.00 61.23 H new ATOM 0 HG2 GLU A 24 9.824 7.902 0.257 1.00 31.23 H new ATOM 0 HG3 GLU A 24 9.379 8.038 -1.432 1.00 31.23 H new ATOM 428 N MET A 25 11.038 3.506 0.728 1.00 11.44 N ATOM 429 CA MET A 25 10.746 2.407 1.641 1.00 11.00 C ATOM 430 C MET A 25 11.646 2.468 2.871 1.00 64.43 C ATOM 431 O MET A 25 12.722 3.065 2.834 1.00 71.31 O ATOM 432 CB MET A 25 10.924 1.064 0.930 1.00 41.33 C ATOM 433 CG MET A 25 9.763 0.700 0.019 1.00 13.21 C ATOM 434 SD MET A 25 8.634 -0.486 0.774 1.00 53.11 S ATOM 435 CE MET A 25 8.260 0.339 2.319 1.00 35.12 C ATOM 0 H MET A 25 11.355 3.214 -0.197 1.00 11.44 H new ATOM 0 HA MET A 25 9.710 2.503 1.966 1.00 11.00 H new ATOM 0 HB2 MET A 25 11.841 1.092 0.342 1.00 41.33 H new ATOM 0 HB3 MET A 25 11.048 0.280 1.677 1.00 41.33 H new ATOM 0 HG2 MET A 25 9.213 1.604 -0.241 1.00 13.21 H new ATOM 0 HG3 MET A 25 10.152 0.285 -0.911 1.00 13.21 H new ATOM 0 HE1 MET A 25 7.465 -0.199 2.836 1.00 35.12 H new ATOM 0 HE2 MET A 25 9.152 0.359 2.946 1.00 35.12 H new ATOM 0 HE3 MET A 25 7.935 1.360 2.117 1.00 35.12 H new ATOM 445 N GLN A 26 11.199 1.846 3.957 1.00 3.33 N ATOM 446 CA GLN A 26 11.965 1.831 5.198 1.00 45.52 C ATOM 447 C GLN A 26 13.277 1.073 5.019 1.00 54.31 C ATOM 448 O GLN A 26 13.429 0.253 4.114 1.00 71.24 O ATOM 449 CB GLN A 26 11.145 1.196 6.321 1.00 15.34 C ATOM 450 CG GLN A 26 10.719 2.183 7.397 1.00 50.04 C ATOM 451 CD GLN A 26 9.347 2.774 7.137 1.00 61.42 C ATOM 452 OE1 GLN A 26 8.371 2.419 7.798 1.00 75.13 O ATOM 453 NE2 GLN A 26 9.266 3.680 6.170 1.00 1.42 N ATOM 0 H GLN A 26 10.311 1.346 4.003 1.00 3.33 H new ATOM 0 HA GLN A 26 12.196 2.862 5.465 1.00 45.52 H new ATOM 0 HB2 GLN A 26 10.256 0.732 5.893 1.00 15.34 H new ATOM 0 HB3 GLN A 26 11.730 0.400 6.781 1.00 15.34 H new ATOM 0 HG2 GLN A 26 10.717 1.681 8.365 1.00 50.04 H new ATOM 0 HG3 GLN A 26 11.452 2.988 7.457 1.00 50.04 H new ATOM 0 HE21 GLN A 26 10.101 3.944 5.648 1.00 1.42 H new ATOM 0 HE22 GLN A 26 8.369 4.112 5.950 1.00 1.42 H new ATOM 462 N PRO A 27 14.248 1.353 5.901 1.00 35.31 N ATOM 463 CA PRO A 27 15.563 0.707 5.861 1.00 1.41 C ATOM 464 C PRO A 27 15.498 -0.766 6.250 1.00 4.55 C ATOM 465 O PRO A 27 16.503 -1.474 6.205 1.00 42.21 O ATOM 466 CB PRO A 27 16.377 1.497 6.889 1.00 31.04 C ATOM 467 CG PRO A 27 15.363 2.050 7.831 1.00 64.30 C ATOM 468 CD PRO A 27 14.136 2.320 7.006 1.00 75.30 C ATOM 0 HA PRO A 27 15.992 0.717 4.859 1.00 1.41 H new ATOM 0 HB2 PRO A 27 17.090 0.856 7.407 1.00 31.04 H new ATOM 0 HB3 PRO A 27 16.951 2.292 6.413 1.00 31.04 H new ATOM 0 HG2 PRO A 27 15.147 1.342 8.632 1.00 64.30 H new ATOM 0 HG3 PRO A 27 15.725 2.964 8.302 1.00 64.30 H new ATOM 0 HD2 PRO A 27 13.223 2.168 7.582 1.00 75.30 H new ATOM 0 HD3 PRO A 27 14.115 3.347 6.641 1.00 75.30 H new ATOM 476 N ASN A 28 14.309 -1.220 6.633 1.00 65.11 N ATOM 477 CA ASN A 28 14.114 -2.610 7.030 1.00 2.34 C ATOM 478 C ASN A 28 12.744 -3.115 6.588 1.00 0.52 C ATOM 479 O ASN A 28 12.108 -3.903 7.286 1.00 13.15 O ATOM 480 CB ASN A 28 14.258 -2.753 8.547 1.00 70.12 C ATOM 481 CG ASN A 28 14.979 -4.028 8.941 1.00 1.42 C ATOM 482 OD1 ASN A 28 15.928 -4.000 9.725 1.00 11.12 O ATOM 483 ND2 ASN A 28 14.531 -5.153 8.398 1.00 70.24 N ATOM 0 H ASN A 28 13.467 -0.646 6.677 1.00 65.11 H new ATOM 0 HA ASN A 28 14.879 -3.213 6.540 1.00 2.34 H new ATOM 0 HB2 ASN A 28 14.802 -1.894 8.940 1.00 70.12 H new ATOM 0 HB3 ASN A 28 13.269 -2.741 9.006 1.00 70.12 H new ATOM 0 HD21 ASN A 28 14.976 -6.042 8.626 1.00 70.24 H new ATOM 0 HD22 ASN A 28 13.741 -5.129 7.753 1.00 70.24 H new ATOM 490 N GLU A 29 12.297 -2.654 5.424 1.00 63.43 N ATOM 491 CA GLU A 29 11.003 -3.060 4.889 1.00 14.40 C ATOM 492 C GLU A 29 11.175 -4.013 3.710 1.00 41.42 C ATOM 493 O GLU A 29 12.282 -4.200 3.205 1.00 3.21 O ATOM 494 CB GLU A 29 10.199 -1.832 4.454 1.00 71.52 C ATOM 495 CG GLU A 29 9.062 -1.483 5.399 1.00 0.22 C ATOM 496 CD GLU A 29 7.835 -2.347 5.181 1.00 41.42 C ATOM 497 OE1 GLU A 29 7.990 -3.480 4.679 1.00 52.20 O ATOM 498 OE2 GLU A 29 6.721 -1.890 5.511 1.00 12.01 O ATOM 0 H GLU A 29 12.811 -2.000 4.834 1.00 63.43 H new ATOM 0 HA GLU A 29 10.460 -3.581 5.677 1.00 14.40 H new ATOM 0 HB2 GLU A 29 10.871 -0.977 4.376 1.00 71.52 H new ATOM 0 HB3 GLU A 29 9.792 -2.009 3.459 1.00 71.52 H new ATOM 0 HG2 GLU A 29 9.403 -1.596 6.428 1.00 0.22 H new ATOM 0 HG3 GLU A 29 8.792 -0.435 5.265 1.00 0.22 H new ATOM 505 N VAL A 30 10.072 -4.613 3.276 1.00 73.53 N ATOM 506 CA VAL A 30 10.099 -5.547 2.156 1.00 45.11 C ATOM 507 C VAL A 30 9.575 -4.893 0.882 1.00 20.14 C ATOM 508 O VAL A 30 8.610 -4.130 0.916 1.00 30.33 O ATOM 509 CB VAL A 30 9.265 -6.807 2.454 1.00 11.55 C ATOM 510 CG1 VAL A 30 8.478 -7.230 1.224 1.00 61.15 C ATOM 511 CG2 VAL A 30 10.161 -7.936 2.939 1.00 30.23 C ATOM 0 H VAL A 30 9.148 -4.469 3.683 1.00 73.53 H new ATOM 0 HA VAL A 30 11.140 -5.836 2.011 1.00 45.11 H new ATOM 0 HB VAL A 30 8.554 -6.572 3.246 1.00 11.55 H new ATOM 0 HG11 VAL A 30 7.895 -8.122 1.454 1.00 61.15 H new ATOM 0 HG12 VAL A 30 7.807 -6.424 0.927 1.00 61.15 H new ATOM 0 HG13 VAL A 30 9.167 -7.448 0.408 1.00 61.15 H new ATOM 0 HG21 VAL A 30 9.555 -8.818 3.145 1.00 30.23 H new ATOM 0 HG22 VAL A 30 10.897 -8.172 2.170 1.00 30.23 H new ATOM 0 HG23 VAL A 30 10.674 -7.628 3.850 1.00 30.23 H new ATOM 521 N ALA A 31 10.217 -5.198 -0.240 1.00 44.14 N ATOM 522 CA ALA A 31 9.814 -4.642 -1.526 1.00 63.11 C ATOM 523 C ALA A 31 9.655 -5.739 -2.573 1.00 22.40 C ATOM 524 O ALA A 31 10.609 -6.450 -2.891 1.00 4.13 O ATOM 525 CB ALA A 31 10.826 -3.606 -1.994 1.00 30.41 C ATOM 0 H ALA A 31 11.019 -5.827 -0.285 1.00 44.14 H new ATOM 0 HA ALA A 31 8.847 -4.156 -1.397 1.00 63.11 H new ATOM 0 HB1 ALA A 31 10.512 -3.199 -2.955 1.00 30.41 H new ATOM 0 HB2 ALA A 31 10.887 -2.801 -1.262 1.00 30.41 H new ATOM 0 HB3 ALA A 31 11.804 -4.075 -2.100 1.00 30.41 H new ATOM 531 N ILE A 32 8.445 -5.872 -3.105 1.00 33.45 N ATOM 532 CA ILE A 32 8.162 -6.883 -4.116 1.00 30.42 C ATOM 533 C ILE A 32 8.175 -6.279 -5.516 1.00 30.22 C ATOM 534 O ILE A 32 7.307 -5.480 -5.867 1.00 11.22 O ATOM 535 CB ILE A 32 6.799 -7.557 -3.872 1.00 73.33 C ATOM 536 CG1 ILE A 32 6.799 -8.287 -2.528 1.00 30.33 C ATOM 537 CG2 ILE A 32 6.474 -8.521 -5.004 1.00 44.33 C ATOM 538 CD1 ILE A 32 5.582 -7.992 -1.679 1.00 52.15 C ATOM 0 H ILE A 32 7.645 -5.292 -2.853 1.00 33.45 H new ATOM 0 HA ILE A 32 8.948 -7.634 -4.040 1.00 30.42 H new ATOM 0 HB ILE A 32 6.029 -6.786 -3.845 1.00 73.33 H new ATOM 0 HG12 ILE A 32 6.855 -9.361 -2.707 1.00 30.33 H new ATOM 0 HG13 ILE A 32 7.695 -8.009 -1.973 1.00 30.33 H new ATOM 0 HG21 ILE A 32 5.508 -8.989 -4.817 1.00 44.33 H new ATOM 0 HG22 ILE A 32 6.436 -7.975 -5.947 1.00 44.33 H new ATOM 0 HG23 ILE A 32 7.245 -9.290 -5.060 1.00 44.33 H new ATOM 0 HD11 ILE A 32 5.650 -8.544 -0.741 1.00 52.15 H new ATOM 0 HD12 ILE A 32 5.535 -6.923 -1.469 1.00 52.15 H new ATOM 0 HD13 ILE A 32 4.683 -8.296 -2.214 1.00 52.15 H new ATOM 550 N PHE A 33 9.165 -6.668 -6.313 1.00 12.12 N ATOM 551 CA PHE A 33 9.291 -6.165 -7.676 1.00 31.40 C ATOM 552 C PHE A 33 8.932 -7.248 -8.690 1.00 0.30 C ATOM 553 O PHE A 33 9.600 -8.278 -8.777 1.00 10.33 O ATOM 554 CB PHE A 33 10.715 -5.666 -7.928 1.00 60.34 C ATOM 555 CG PHE A 33 11.245 -4.786 -6.833 1.00 13.12 C ATOM 556 CD1 PHE A 33 10.452 -3.794 -6.279 1.00 52.41 C ATOM 557 CD2 PHE A 33 12.535 -4.951 -6.356 1.00 42.22 C ATOM 558 CE1 PHE A 33 10.937 -2.982 -5.271 1.00 41.34 C ATOM 559 CE2 PHE A 33 13.026 -4.142 -5.348 1.00 71.14 C ATOM 560 CZ PHE A 33 12.225 -3.157 -4.805 1.00 2.14 C ATOM 0 H PHE A 33 9.891 -7.330 -6.039 1.00 12.12 H new ATOM 0 HA PHE A 33 8.596 -5.334 -7.797 1.00 31.40 H new ATOM 0 HB2 PHE A 33 11.377 -6.524 -8.045 1.00 60.34 H new ATOM 0 HB3 PHE A 33 10.737 -5.115 -8.868 1.00 60.34 H new ATOM 0 HD1 PHE A 33 9.443 -3.654 -6.639 1.00 52.41 H new ATOM 0 HD2 PHE A 33 13.165 -5.721 -6.777 1.00 42.22 H new ATOM 0 HE1 PHE A 33 10.309 -2.212 -4.848 1.00 41.34 H new ATOM 0 HE2 PHE A 33 14.034 -4.280 -4.986 1.00 71.14 H new ATOM 0 HZ PHE A 33 12.605 -2.524 -4.017 1.00 2.14 H new ATOM 570 N MET A 34 7.872 -7.006 -9.454 1.00 41.13 N ATOM 571 CA MET A 34 7.424 -7.959 -10.463 1.00 22.31 C ATOM 572 C MET A 34 8.170 -7.751 -11.777 1.00 40.11 C ATOM 573 O MET A 34 8.250 -6.633 -12.286 1.00 43.32 O ATOM 574 CB MET A 34 5.918 -7.823 -10.691 1.00 34.11 C ATOM 575 CG MET A 34 5.226 -9.144 -10.988 1.00 1.21 C ATOM 576 SD MET A 34 3.428 -9.007 -10.967 1.00 43.55 S ATOM 577 CE MET A 34 3.146 -8.513 -9.269 1.00 73.10 C ATOM 0 H MET A 34 7.307 -6.159 -9.394 1.00 41.13 H new ATOM 0 HA MET A 34 7.639 -8.963 -10.099 1.00 22.31 H new ATOM 0 HB2 MET A 34 5.464 -7.375 -9.807 1.00 34.11 H new ATOM 0 HB3 MET A 34 5.745 -7.137 -11.520 1.00 34.11 H new ATOM 0 HG2 MET A 34 5.547 -9.506 -11.964 1.00 1.21 H new ATOM 0 HG3 MET A 34 5.538 -9.886 -10.254 1.00 1.21 H new ATOM 0 HE1 MET A 34 2.580 -9.289 -8.753 1.00 73.10 H new ATOM 0 HE2 MET A 34 4.103 -8.368 -8.768 1.00 73.10 H new ATOM 0 HE3 MET A 34 2.582 -7.580 -9.250 1.00 73.10 H new ATOM 587 N PHE A 35 8.715 -8.834 -12.322 1.00 14.05 N ATOM 588 CA PHE A 35 9.455 -8.769 -13.576 1.00 61.11 C ATOM 589 C PHE A 35 8.922 -9.791 -14.576 1.00 13.10 C ATOM 590 O PHE A 35 8.849 -10.983 -14.281 1.00 30.22 O ATOM 591 CB PHE A 35 10.945 -9.013 -13.327 1.00 11.44 C ATOM 592 CG PHE A 35 11.250 -10.392 -12.816 1.00 53.11 C ATOM 593 CD1 PHE A 35 10.991 -10.730 -11.497 1.00 43.44 C ATOM 594 CD2 PHE A 35 11.795 -11.351 -13.655 1.00 0.52 C ATOM 595 CE1 PHE A 35 11.270 -11.998 -11.024 1.00 62.14 C ATOM 596 CE2 PHE A 35 12.076 -12.621 -13.188 1.00 14.45 C ATOM 597 CZ PHE A 35 11.814 -12.944 -11.871 1.00 21.45 C ATOM 0 H PHE A 35 8.658 -9.767 -11.914 1.00 14.05 H new ATOM 0 HA PHE A 35 9.322 -7.772 -13.996 1.00 61.11 H new ATOM 0 HB2 PHE A 35 11.492 -8.849 -14.256 1.00 11.44 H new ATOM 0 HB3 PHE A 35 11.310 -8.279 -12.608 1.00 11.44 H new ATOM 0 HD1 PHE A 35 10.566 -9.994 -10.831 1.00 43.44 H new ATOM 0 HD2 PHE A 35 12.002 -11.103 -14.685 1.00 0.52 H new ATOM 0 HE1 PHE A 35 11.063 -12.249 -9.994 1.00 62.14 H new ATOM 0 HE2 PHE A 35 12.500 -13.360 -13.852 1.00 14.45 H new ATOM 0 HZ PHE A 35 12.034 -13.935 -11.504 1.00 21.45 H new ATOM 607 N GLU A 36 8.549 -9.313 -15.760 1.00 25.45 N ATOM 608 CA GLU A 36 8.021 -10.185 -16.802 1.00 64.04 C ATOM 609 C GLU A 36 8.943 -10.198 -18.019 1.00 15.11 C ATOM 610 O GLU A 36 8.647 -10.836 -19.029 1.00 75.21 O ATOM 611 CB GLU A 36 6.619 -9.732 -17.215 1.00 45.23 C ATOM 612 CG GLU A 36 6.600 -8.395 -17.937 1.00 11.44 C ATOM 613 CD GLU A 36 6.664 -8.544 -19.444 1.00 63.02 C ATOM 614 OE1 GLU A 36 5.903 -9.369 -19.991 1.00 74.10 O ATOM 615 OE2 GLU A 36 7.476 -7.837 -20.077 1.00 12.20 O ATOM 0 H GLU A 36 8.603 -8.328 -16.020 1.00 25.45 H new ATOM 0 HA GLU A 36 7.964 -11.197 -16.400 1.00 64.04 H new ATOM 0 HB2 GLU A 36 6.177 -10.491 -17.861 1.00 45.23 H new ATOM 0 HB3 GLU A 36 5.991 -9.665 -16.326 1.00 45.23 H new ATOM 0 HG2 GLU A 36 5.693 -7.854 -17.668 1.00 11.44 H new ATOM 0 HG3 GLU A 36 7.443 -7.792 -17.599 1.00 11.44 H new ATOM 622 N VAL A 37 10.061 -9.487 -17.914 1.00 62.43 N ATOM 623 CA VAL A 37 11.027 -9.417 -19.005 1.00 13.34 C ATOM 624 C VAL A 37 12.066 -10.526 -18.891 1.00 60.31 C ATOM 625 O VAL A 37 12.272 -11.091 -17.817 1.00 44.55 O ATOM 626 CB VAL A 37 11.746 -8.055 -19.030 1.00 21.12 C ATOM 627 CG1 VAL A 37 12.525 -7.886 -20.325 1.00 71.34 C ATOM 628 CG2 VAL A 37 10.748 -6.922 -18.847 1.00 33.01 C ATOM 0 H VAL A 37 10.320 -8.952 -17.086 1.00 62.43 H new ATOM 0 HA VAL A 37 10.468 -9.542 -19.932 1.00 13.34 H new ATOM 0 HB VAL A 37 12.454 -8.022 -18.202 1.00 21.12 H new ATOM 0 HG11 VAL A 37 13.026 -6.918 -20.324 1.00 71.34 H new ATOM 0 HG12 VAL A 37 13.268 -8.679 -20.409 1.00 71.34 H new ATOM 0 HG13 VAL A 37 11.840 -7.939 -21.171 1.00 71.34 H new ATOM 0 HG21 VAL A 37 11.274 -5.967 -18.867 1.00 33.01 H new ATOM 0 HG22 VAL A 37 10.014 -6.950 -19.653 1.00 33.01 H new ATOM 0 HG23 VAL A 37 10.240 -7.036 -17.890 1.00 33.01 H new ATOM 638 N GLY A 38 12.719 -10.834 -20.007 1.00 64.44 N ATOM 639 CA GLY A 38 13.730 -11.875 -20.012 1.00 24.41 C ATOM 640 C GLY A 38 14.934 -11.518 -19.163 1.00 21.33 C ATOM 641 O GLY A 38 15.774 -12.371 -18.875 1.00 44.12 O ATOM 0 H GLY A 38 12.566 -10.381 -20.908 1.00 64.44 H new ATOM 0 HA2 GLY A 38 13.293 -12.804 -19.645 1.00 24.41 H new ATOM 0 HA3 GLY A 38 14.053 -12.058 -21.037 1.00 24.41 H new ATOM 645 N ASP A 39 15.019 -10.255 -18.762 1.00 1.25 N ATOM 646 CA ASP A 39 16.130 -9.786 -17.941 1.00 35.35 C ATOM 647 C ASP A 39 15.868 -10.063 -16.463 1.00 54.43 C ATOM 648 O ASP A 39 15.454 -9.174 -15.719 1.00 1.35 O ATOM 649 CB ASP A 39 16.358 -8.290 -18.160 1.00 12.14 C ATOM 650 CG ASP A 39 17.172 -8.005 -19.407 1.00 14.24 C ATOM 651 OD1 ASP A 39 16.666 -8.269 -20.517 1.00 41.54 O ATOM 652 OD2 ASP A 39 18.314 -7.519 -19.272 1.00 2.24 O ATOM 0 H ASP A 39 14.332 -9.537 -18.992 1.00 1.25 H new ATOM 0 HA ASP A 39 17.026 -10.329 -18.241 1.00 35.35 H new ATOM 0 HB2 ASP A 39 15.395 -7.786 -18.235 1.00 12.14 H new ATOM 0 HB3 ASP A 39 16.869 -7.873 -17.293 1.00 12.14 H new ATOM 657 N PHE A 40 16.110 -11.301 -16.046 1.00 50.21 N ATOM 658 CA PHE A 40 15.898 -11.695 -14.658 1.00 63.23 C ATOM 659 C PHE A 40 17.185 -11.553 -13.850 1.00 60.43 C ATOM 660 O PHE A 40 17.157 -11.510 -12.620 1.00 52.55 O ATOM 661 CB PHE A 40 15.394 -13.138 -14.587 1.00 65.20 C ATOM 662 CG PHE A 40 15.381 -13.835 -15.918 1.00 11.33 C ATOM 663 CD1 PHE A 40 16.538 -14.396 -16.433 1.00 3.51 C ATOM 664 CD2 PHE A 40 14.211 -13.928 -16.654 1.00 35.14 C ATOM 665 CE1 PHE A 40 16.529 -15.038 -17.657 1.00 2.41 C ATOM 666 CE2 PHE A 40 14.195 -14.569 -17.878 1.00 22.32 C ATOM 667 CZ PHE A 40 15.356 -15.124 -18.381 1.00 2.53 C ATOM 0 H PHE A 40 16.453 -12.049 -16.649 1.00 50.21 H new ATOM 0 HA PHE A 40 15.146 -11.033 -14.229 1.00 63.23 H new ATOM 0 HB2 PHE A 40 16.023 -13.701 -13.897 1.00 65.20 H new ATOM 0 HB3 PHE A 40 14.385 -13.142 -14.174 1.00 65.20 H new ATOM 0 HD1 PHE A 40 17.458 -14.331 -15.871 1.00 3.51 H new ATOM 0 HD2 PHE A 40 13.301 -13.494 -16.267 1.00 35.14 H new ATOM 0 HE1 PHE A 40 17.438 -15.472 -18.047 1.00 2.41 H new ATOM 0 HE2 PHE A 40 13.276 -14.636 -18.441 1.00 22.32 H new ATOM 0 HZ PHE A 40 15.346 -15.624 -19.338 1.00 2.53 H new ATOM 677 N SER A 41 18.312 -11.483 -14.551 1.00 41.13 N ATOM 678 CA SER A 41 19.610 -11.351 -13.900 1.00 42.42 C ATOM 679 C SER A 41 19.811 -9.933 -13.372 1.00 21.51 C ATOM 680 O SER A 41 20.666 -9.692 -12.521 1.00 64.04 O ATOM 681 CB SER A 41 20.733 -11.707 -14.877 1.00 12.13 C ATOM 682 OG SER A 41 21.219 -10.552 -15.538 1.00 52.14 O ATOM 0 H SER A 41 18.352 -11.515 -15.570 1.00 41.13 H new ATOM 0 HA SER A 41 19.638 -12.042 -13.057 1.00 42.42 H new ATOM 0 HB2 SER A 41 21.548 -12.192 -14.339 1.00 12.13 H new ATOM 0 HB3 SER A 41 20.366 -12.423 -15.612 1.00 12.13 H new ATOM 0 HG SER A 41 21.937 -10.806 -16.155 1.00 52.14 H new ATOM 688 N ASN A 42 19.015 -9.000 -13.883 1.00 44.23 N ATOM 689 CA ASN A 42 19.105 -7.606 -13.464 1.00 42.32 C ATOM 690 C ASN A 42 18.364 -7.384 -12.149 1.00 70.23 C ATOM 691 O ASN A 42 18.669 -6.454 -11.402 1.00 62.13 O ATOM 692 CB ASN A 42 18.532 -6.688 -14.546 1.00 64.24 C ATOM 693 CG ASN A 42 19.616 -6.001 -15.355 1.00 30.12 C ATOM 694 OD1 ASN A 42 19.891 -6.380 -16.493 1.00 65.41 O ATOM 695 ND2 ASN A 42 20.237 -4.984 -14.768 1.00 73.30 N ATOM 0 H ASN A 42 18.301 -9.184 -14.588 1.00 44.23 H new ATOM 0 HA ASN A 42 20.157 -7.366 -13.313 1.00 42.32 H new ATOM 0 HB2 ASN A 42 17.898 -7.270 -15.214 1.00 64.24 H new ATOM 0 HB3 ASN A 42 17.897 -5.934 -14.080 1.00 64.24 H new ATOM 0 HD21 ASN A 42 20.975 -4.483 -15.263 1.00 73.30 H new ATOM 0 HD22 ASN A 42 19.976 -4.704 -13.823 1.00 73.30 H new ATOM 702 N ILE A 43 17.390 -8.245 -11.873 1.00 40.22 N ATOM 703 CA ILE A 43 16.607 -8.144 -10.648 1.00 72.11 C ATOM 704 C ILE A 43 17.508 -7.942 -9.435 1.00 11.14 C ATOM 705 O ILE A 43 17.377 -6.972 -8.688 1.00 0.22 O ATOM 706 CB ILE A 43 15.742 -9.399 -10.428 1.00 21.41 C ATOM 707 CG1 ILE A 43 14.396 -9.249 -11.140 1.00 20.43 C ATOM 708 CG2 ILE A 43 15.536 -9.647 -8.941 1.00 5.31 C ATOM 709 CD1 ILE A 43 13.534 -8.141 -10.576 1.00 24.43 C ATOM 0 H ILE A 43 17.125 -9.020 -12.481 1.00 40.22 H new ATOM 0 HA ILE A 43 15.954 -7.278 -10.761 1.00 72.11 H new ATOM 0 HB ILE A 43 16.262 -10.259 -10.851 1.00 21.41 H new ATOM 0 HG12 ILE A 43 14.573 -9.057 -12.198 1.00 20.43 H new ATOM 0 HG13 ILE A 43 13.852 -10.191 -11.073 1.00 20.43 H new ATOM 0 HG21 ILE A 43 14.923 -10.537 -8.802 1.00 5.31 H new ATOM 0 HG22 ILE A 43 16.503 -9.793 -8.459 1.00 5.31 H new ATOM 0 HG23 ILE A 43 15.035 -8.788 -8.495 1.00 5.31 H new ATOM 0 HD11 ILE A 43 12.596 -8.093 -11.129 1.00 24.43 H new ATOM 0 HD12 ILE A 43 13.326 -8.341 -9.525 1.00 24.43 H new ATOM 0 HD13 ILE A 43 14.058 -7.190 -10.667 1.00 24.43 H new ATOM 721 N PRO A 44 18.447 -8.878 -9.232 1.00 71.04 N ATOM 722 CA PRO A 44 19.391 -8.824 -8.112 1.00 15.31 C ATOM 723 C PRO A 44 20.407 -7.697 -8.264 1.00 71.20 C ATOM 724 O PRO A 44 21.102 -7.341 -7.312 1.00 53.11 O ATOM 725 CB PRO A 44 20.088 -10.185 -8.170 1.00 3.15 C ATOM 726 CG PRO A 44 19.971 -10.611 -9.592 1.00 44.43 C ATOM 727 CD PRO A 44 18.660 -10.061 -10.083 1.00 22.45 C ATOM 0 HA PRO A 44 18.889 -8.627 -7.165 1.00 15.31 H new ATOM 0 HB2 PRO A 44 21.131 -10.109 -7.864 1.00 3.15 H new ATOM 0 HB3 PRO A 44 19.612 -10.902 -7.502 1.00 3.15 H new ATOM 0 HG2 PRO A 44 20.802 -10.227 -10.184 1.00 44.43 H new ATOM 0 HG3 PRO A 44 19.995 -11.697 -9.677 1.00 44.43 H new ATOM 0 HD2 PRO A 44 18.706 -9.794 -11.139 1.00 22.45 H new ATOM 0 HD3 PRO A 44 17.853 -10.786 -9.973 1.00 22.45 H new ATOM 735 N LYS A 45 20.489 -7.139 -9.467 1.00 71.10 N ATOM 736 CA LYS A 45 21.419 -6.051 -9.744 1.00 61.14 C ATOM 737 C LYS A 45 20.873 -4.723 -9.230 1.00 35.34 C ATOM 738 O LYS A 45 21.633 -3.810 -8.911 1.00 44.43 O ATOM 739 CB LYS A 45 21.690 -5.955 -11.248 1.00 11.15 C ATOM 740 CG LYS A 45 23.127 -5.597 -11.585 1.00 60.30 C ATOM 741 CD LYS A 45 23.201 -4.371 -12.479 1.00 63.23 C ATOM 742 CE LYS A 45 24.547 -4.274 -13.181 1.00 3.20 C ATOM 743 NZ LYS A 45 25.319 -3.080 -12.738 1.00 13.42 N ATOM 0 H LYS A 45 19.922 -7.423 -10.266 1.00 71.10 H new ATOM 0 HA LYS A 45 22.353 -6.265 -9.225 1.00 61.14 H new ATOM 0 HB2 LYS A 45 21.443 -6.908 -11.715 1.00 11.15 H new ATOM 0 HB3 LYS A 45 21.027 -5.206 -11.681 1.00 11.15 H new ATOM 0 HG2 LYS A 45 23.682 -5.412 -10.665 1.00 60.30 H new ATOM 0 HG3 LYS A 45 23.606 -6.440 -12.082 1.00 60.30 H new ATOM 0 HD2 LYS A 45 22.404 -4.412 -13.222 1.00 63.23 H new ATOM 0 HD3 LYS A 45 23.035 -3.474 -11.883 1.00 63.23 H new ATOM 0 HE2 LYS A 45 25.126 -5.175 -12.982 1.00 3.20 H new ATOM 0 HE3 LYS A 45 24.392 -4.227 -14.259 1.00 3.20 H new ATOM 0 HZ1 LYS A 45 26.230 -3.050 -13.239 1.00 13.42 H new ATOM 0 HZ2 LYS A 45 24.778 -2.218 -12.951 1.00 13.42 H new ATOM 0 HZ3 LYS A 45 25.489 -3.137 -11.714 1.00 13.42 H new ATOM 757 N SER A 46 19.549 -4.624 -9.149 1.00 64.43 N ATOM 758 CA SER A 46 18.901 -3.407 -8.675 1.00 63.30 C ATOM 759 C SER A 46 19.085 -3.245 -7.169 1.00 62.22 C ATOM 760 O SER A 46 19.551 -2.208 -6.698 1.00 32.21 O ATOM 761 CB SER A 46 17.411 -3.431 -9.019 1.00 34.15 C ATOM 762 OG SER A 46 17.129 -4.415 -9.999 1.00 13.03 O ATOM 0 H SER A 46 18.905 -5.372 -9.406 1.00 64.43 H new ATOM 0 HA SER A 46 19.368 -2.558 -9.174 1.00 63.30 H new ATOM 0 HB2 SER A 46 16.830 -3.633 -8.119 1.00 34.15 H new ATOM 0 HB3 SER A 46 17.103 -2.451 -9.384 1.00 34.15 H new ATOM 0 HG SER A 46 17.045 -5.291 -9.568 1.00 13.03 H new ATOM 768 N ALA A 47 18.716 -4.279 -6.420 1.00 12.33 N ATOM 769 CA ALA A 47 18.841 -4.253 -4.968 1.00 4.13 C ATOM 770 C ALA A 47 20.274 -3.943 -4.546 1.00 32.50 C ATOM 771 O ALA A 47 20.509 -3.410 -3.462 1.00 63.24 O ATOM 772 CB ALA A 47 18.390 -5.580 -4.375 1.00 54.53 C ATOM 0 H ALA A 47 18.328 -5.145 -6.795 1.00 12.33 H new ATOM 0 HA ALA A 47 18.198 -3.460 -4.587 1.00 4.13 H new ATOM 0 HB1 ALA A 47 18.489 -5.546 -3.290 1.00 54.53 H new ATOM 0 HB2 ALA A 47 17.348 -5.761 -4.639 1.00 54.53 H new ATOM 0 HB3 ALA A 47 19.010 -6.385 -4.771 1.00 54.53 H new ATOM 778 N GLU A 48 21.226 -4.282 -5.409 1.00 63.41 N ATOM 779 CA GLU A 48 22.636 -4.041 -5.124 1.00 32.43 C ATOM 780 C GLU A 48 22.993 -2.575 -5.346 1.00 11.40 C ATOM 781 O GLU A 48 23.929 -2.053 -4.740 1.00 21.14 O ATOM 782 CB GLU A 48 23.517 -4.931 -6.003 1.00 74.14 C ATOM 783 CG GLU A 48 24.961 -5.007 -5.539 1.00 44.20 C ATOM 784 CD GLU A 48 25.938 -5.150 -6.691 1.00 35.35 C ATOM 785 OE1 GLU A 48 25.919 -4.290 -7.595 1.00 63.03 O ATOM 786 OE2 GLU A 48 26.720 -6.124 -6.686 1.00 42.41 O ATOM 0 H GLU A 48 21.047 -4.724 -6.311 1.00 63.41 H new ATOM 0 HA GLU A 48 22.815 -4.286 -4.077 1.00 32.43 H new ATOM 0 HB2 GLU A 48 23.097 -5.937 -6.023 1.00 74.14 H new ATOM 0 HB3 GLU A 48 23.492 -4.555 -7.026 1.00 74.14 H new ATOM 0 HG2 GLU A 48 25.204 -4.109 -4.971 1.00 44.20 H new ATOM 0 HG3 GLU A 48 25.077 -5.853 -4.862 1.00 44.20 H new ATOM 793 N PHE A 49 22.241 -1.915 -6.220 1.00 54.52 N ATOM 794 CA PHE A 49 22.478 -0.508 -6.525 1.00 33.33 C ATOM 795 C PHE A 49 22.361 0.348 -5.267 1.00 22.32 C ATOM 796 O PHE A 49 22.985 1.404 -5.163 1.00 13.54 O ATOM 797 CB PHE A 49 21.486 -0.019 -7.582 1.00 34.02 C ATOM 798 CG PHE A 49 22.136 0.711 -8.722 1.00 11.42 C ATOM 799 CD1 PHE A 49 22.496 2.043 -8.593 1.00 51.21 C ATOM 800 CD2 PHE A 49 22.388 0.066 -9.922 1.00 14.13 C ATOM 801 CE1 PHE A 49 23.094 2.718 -9.641 1.00 33.31 C ATOM 802 CE2 PHE A 49 22.986 0.735 -10.973 1.00 14.40 C ATOM 803 CZ PHE A 49 23.340 2.063 -10.832 1.00 30.32 C ATOM 0 H PHE A 49 21.462 -2.331 -6.730 1.00 54.52 H new ATOM 0 HA PHE A 49 23.491 -0.412 -6.916 1.00 33.33 H new ATOM 0 HB2 PHE A 49 20.936 -0.874 -7.975 1.00 34.02 H new ATOM 0 HB3 PHE A 49 20.757 0.639 -7.108 1.00 34.02 H new ATOM 0 HD1 PHE A 49 22.307 2.560 -7.663 1.00 51.21 H new ATOM 0 HD2 PHE A 49 22.114 -0.972 -10.037 1.00 14.13 H new ATOM 0 HE1 PHE A 49 23.369 3.756 -9.529 1.00 33.31 H new ATOM 0 HE2 PHE A 49 23.176 0.220 -11.903 1.00 14.40 H new ATOM 0 HZ PHE A 49 23.808 2.588 -11.651 1.00 30.32 H new ATOM 813 N ILE A 50 21.558 -0.116 -4.315 1.00 65.21 N ATOM 814 CA ILE A 50 21.360 0.606 -3.065 1.00 24.15 C ATOM 815 C ILE A 50 22.600 0.525 -2.181 1.00 23.35 C ATOM 816 O ILE A 50 23.100 1.542 -1.701 1.00 53.11 O ATOM 817 CB ILE A 50 20.151 0.059 -2.284 1.00 74.31 C ATOM 818 CG1 ILE A 50 18.903 0.059 -3.169 1.00 54.03 C ATOM 819 CG2 ILE A 50 19.915 0.882 -1.027 1.00 10.23 C ATOM 820 CD1 ILE A 50 18.417 1.446 -3.529 1.00 64.23 C ATOM 0 H ILE A 50 21.034 -0.988 -4.386 1.00 65.21 H new ATOM 0 HA ILE A 50 21.171 1.647 -3.329 1.00 24.15 H new ATOM 0 HB ILE A 50 20.364 -0.968 -1.987 1.00 74.31 H new ATOM 0 HG12 ILE A 50 19.117 -0.491 -4.085 1.00 54.03 H new ATOM 0 HG13 ILE A 50 18.104 -0.475 -2.656 1.00 54.03 H new ATOM 0 HG21 ILE A 50 19.057 0.482 -0.486 1.00 10.23 H new ATOM 0 HG22 ILE A 50 20.799 0.836 -0.391 1.00 10.23 H new ATOM 0 HG23 ILE A 50 19.720 1.919 -1.302 1.00 10.23 H new ATOM 0 HD11 ILE A 50 17.530 1.369 -4.157 1.00 64.23 H new ATOM 0 HD12 ILE A 50 18.171 1.993 -2.619 1.00 64.23 H new ATOM 0 HD13 ILE A 50 19.200 1.977 -4.070 1.00 64.23 H new ATOM 832 N GLN A 51 23.092 -0.692 -1.971 1.00 23.10 N ATOM 833 CA GLN A 51 24.275 -0.906 -1.145 1.00 40.54 C ATOM 834 C GLN A 51 24.779 -2.339 -1.277 1.00 2.12 C ATOM 835 O GLN A 51 23.998 -3.289 -1.227 1.00 22.03 O ATOM 836 CB GLN A 51 23.963 -0.594 0.319 1.00 24.24 C ATOM 837 CG GLN A 51 25.172 -0.123 1.112 1.00 61.12 C ATOM 838 CD GLN A 51 25.562 1.306 0.787 1.00 31.54 C ATOM 839 OE1 GLN A 51 26.376 1.477 -0.248 1.00 42.33 O flip ATOM 840 NE2 GLN A 51 25.136 2.245 1.460 1.00 30.14 N flip ATOM 0 H GLN A 51 22.690 -1.544 -2.361 1.00 23.10 H new ATOM 0 HA GLN A 51 25.058 -0.232 -1.493 1.00 40.54 H new ATOM 0 HB2 GLN A 51 23.190 0.173 0.362 1.00 24.24 H new ATOM 0 HB3 GLN A 51 23.553 -1.486 0.793 1.00 24.24 H new ATOM 0 HG2 GLN A 51 24.957 -0.204 2.178 1.00 61.12 H new ATOM 0 HG3 GLN A 51 26.016 -0.782 0.906 1.00 61.12 H new ATOM 0 HE21 GLN A 51 24.512 2.067 2.247 1.00 30.14 H new ATOM 0 HE22 GLN A 51 25.407 3.201 1.230 1.00 30.14 H new ATOM 849 N SER A 52 26.089 -2.487 -1.446 1.00 23.13 N ATOM 850 CA SER A 52 26.697 -3.805 -1.589 1.00 4.33 C ATOM 851 C SER A 52 26.262 -4.730 -0.456 1.00 4.41 C ATOM 852 O SER A 52 26.169 -5.945 -0.631 1.00 51.44 O ATOM 853 CB SER A 52 28.223 -3.686 -1.608 1.00 74.45 C ATOM 854 OG SER A 52 28.693 -2.964 -0.483 1.00 73.43 O ATOM 0 H SER A 52 26.750 -1.711 -1.487 1.00 23.13 H new ATOM 0 HA SER A 52 26.361 -4.233 -2.533 1.00 4.33 H new ATOM 0 HB2 SER A 52 28.668 -4.681 -1.617 1.00 74.45 H new ATOM 0 HB3 SER A 52 28.540 -3.186 -2.523 1.00 74.45 H new ATOM 0 HG SER A 52 29.671 -2.904 -0.518 1.00 73.43 H new ATOM 860 N LYS A 53 25.997 -4.145 0.708 1.00 62.34 N ATOM 861 CA LYS A 53 25.571 -4.914 1.871 1.00 74.13 C ATOM 862 C LYS A 53 24.324 -4.301 2.500 1.00 32.45 C ATOM 863 O LYS A 53 24.330 -3.142 2.911 1.00 52.31 O ATOM 864 CB LYS A 53 26.697 -4.981 2.905 1.00 51.13 C ATOM 865 CG LYS A 53 27.358 -3.640 3.171 1.00 1.33 C ATOM 866 CD LYS A 53 27.760 -3.496 4.630 1.00 65.45 C ATOM 867 CE LYS A 53 29.263 -3.651 4.811 1.00 33.20 C ATOM 868 NZ LYS A 53 29.972 -2.346 4.703 1.00 32.22 N ATOM 0 H LYS A 53 26.070 -3.141 0.870 1.00 62.34 H new ATOM 0 HA LYS A 53 25.331 -5.924 1.540 1.00 74.13 H new ATOM 0 HB2 LYS A 53 26.297 -5.372 3.841 1.00 51.13 H new ATOM 0 HB3 LYS A 53 27.453 -5.688 2.562 1.00 51.13 H new ATOM 0 HG2 LYS A 53 28.239 -3.536 2.538 1.00 1.33 H new ATOM 0 HG3 LYS A 53 26.674 -2.836 2.900 1.00 1.33 H new ATOM 0 HD2 LYS A 53 27.446 -2.520 5.001 1.00 65.45 H new ATOM 0 HD3 LYS A 53 27.241 -4.246 5.227 1.00 65.45 H new ATOM 0 HE2 LYS A 53 29.468 -4.096 5.785 1.00 33.20 H new ATOM 0 HE3 LYS A 53 29.650 -4.338 4.059 1.00 33.20 H new ATOM 0 HZ1 LYS A 53 30.993 -2.494 4.832 1.00 32.22 H new ATOM 0 HZ2 LYS A 53 29.798 -1.933 3.765 1.00 32.22 H new ATOM 0 HZ3 LYS A 53 29.621 -1.698 5.437 1.00 32.22 H new ATOM 882 N GLY A 54 23.255 -5.089 2.575 1.00 63.42 N ATOM 883 CA GLY A 54 22.017 -4.607 3.157 1.00 12.12 C ATOM 884 C GLY A 54 20.794 -5.103 2.412 1.00 73.11 C ATOM 885 O GLY A 54 19.670 -4.989 2.903 1.00 71.14 O ATOM 0 H GLY A 54 23.225 -6.053 2.243 1.00 63.42 H new ATOM 0 HA2 GLY A 54 21.959 -4.927 4.197 1.00 12.12 H new ATOM 0 HA3 GLY A 54 22.020 -3.517 3.159 1.00 12.12 H new ATOM 889 N HIS A 55 21.011 -5.654 1.222 1.00 72.21 N ATOM 890 CA HIS A 55 19.916 -6.169 0.406 1.00 3.34 C ATOM 891 C HIS A 55 19.972 -7.691 0.321 1.00 73.01 C ATOM 892 O HIS A 55 20.937 -8.258 -0.190 1.00 1.03 O ATOM 893 CB HIS A 55 19.971 -5.565 -0.997 1.00 74.13 C ATOM 894 CG HIS A 55 21.168 -5.994 -1.788 1.00 30.40 C ATOM 895 ND1 HIS A 55 22.453 -5.600 -1.481 1.00 63.42 N ATOM 896 CD2 HIS A 55 21.270 -6.790 -2.878 1.00 61.03 C ATOM 897 CE1 HIS A 55 23.294 -6.134 -2.350 1.00 10.53 C ATOM 898 NE2 HIS A 55 22.601 -6.860 -3.208 1.00 23.42 N ATOM 0 H HIS A 55 21.935 -5.756 0.801 1.00 72.21 H new ATOM 0 HA HIS A 55 18.976 -5.884 0.879 1.00 3.34 H new ATOM 0 HB2 HIS A 55 19.068 -5.845 -1.540 1.00 74.13 H new ATOM 0 HB3 HIS A 55 19.970 -4.478 -0.916 1.00 74.13 H new ATOM 0 HD1 HIS A 55 22.714 -4.992 -0.705 1.00 63.42 H new ATOM 0 HD2 HIS A 55 20.456 -7.279 -3.392 1.00 61.03 H new ATOM 0 HE1 HIS A 55 24.366 -5.999 -2.357 1.00 10.53 H new ATOM 906 N GLU A 56 18.930 -8.346 0.825 1.00 42.32 N ATOM 907 CA GLU A 56 18.862 -9.802 0.806 1.00 24.21 C ATOM 908 C GLU A 56 17.507 -10.277 0.291 1.00 70.23 C ATOM 909 O GLU A 56 16.466 -9.967 0.871 1.00 13.10 O ATOM 910 CB GLU A 56 19.113 -10.365 2.207 1.00 44.42 C ATOM 911 CG GLU A 56 20.112 -11.509 2.233 1.00 31.51 C ATOM 912 CD GLU A 56 19.441 -12.867 2.303 1.00 72.54 C ATOM 913 OE1 GLU A 56 18.778 -13.149 3.323 1.00 71.30 O ATOM 914 OE2 GLU A 56 19.578 -13.648 1.338 1.00 64.02 O ATOM 0 H GLU A 56 18.122 -7.891 1.251 1.00 42.32 H new ATOM 0 HA GLU A 56 19.636 -10.167 0.131 1.00 24.21 H new ATOM 0 HB2 GLU A 56 19.474 -9.564 2.852 1.00 44.42 H new ATOM 0 HB3 GLU A 56 18.168 -10.710 2.626 1.00 44.42 H new ATOM 0 HG2 GLU A 56 20.736 -11.462 1.341 1.00 31.51 H new ATOM 0 HG3 GLU A 56 20.773 -11.390 3.091 1.00 31.51 H new ATOM 921 N LEU A 57 17.528 -11.031 -0.803 1.00 32.01 N ATOM 922 CA LEU A 57 16.301 -11.549 -1.398 1.00 60.44 C ATOM 923 C LEU A 57 15.757 -12.723 -0.590 1.00 64.43 C ATOM 924 O LEU A 57 16.268 -13.841 -0.678 1.00 4.33 O ATOM 925 CB LEU A 57 16.556 -11.984 -2.843 1.00 31.13 C ATOM 926 CG LEU A 57 16.854 -10.863 -3.838 1.00 45.34 C ATOM 927 CD1 LEU A 57 15.833 -9.744 -3.705 1.00 32.14 C ATOM 928 CD2 LEU A 57 18.264 -10.328 -3.632 1.00 40.41 C ATOM 0 H LEU A 57 18.381 -11.297 -1.296 1.00 32.01 H new ATOM 0 HA LEU A 57 15.558 -10.752 -1.390 1.00 60.44 H new ATOM 0 HB2 LEU A 57 17.394 -12.681 -2.849 1.00 31.13 H new ATOM 0 HB3 LEU A 57 15.683 -12.533 -3.196 1.00 31.13 H new ATOM 0 HG LEU A 57 16.785 -11.271 -4.846 1.00 45.34 H new ATOM 0 HD11 LEU A 57 16.062 -8.955 -4.422 1.00 32.14 H new ATOM 0 HD12 LEU A 57 14.836 -10.136 -3.904 1.00 32.14 H new ATOM 0 HD13 LEU A 57 15.868 -9.337 -2.694 1.00 32.14 H new ATOM 0 HD21 LEU A 57 18.459 -9.531 -4.349 1.00 40.41 H new ATOM 0 HD22 LEU A 57 18.360 -9.937 -2.619 1.00 40.41 H new ATOM 0 HD23 LEU A 57 18.984 -11.133 -3.780 1.00 40.41 H new ATOM 940 N LEU A 58 14.717 -12.464 0.194 1.00 4.52 N ATOM 941 CA LEU A 58 14.102 -13.499 1.017 1.00 71.32 C ATOM 942 C LEU A 58 13.812 -14.749 0.192 1.00 72.03 C ATOM 943 O LEU A 58 14.038 -15.870 0.645 1.00 33.10 O ATOM 944 CB LEU A 58 12.809 -12.978 1.645 1.00 15.42 C ATOM 945 CG LEU A 58 12.809 -12.843 3.168 1.00 30.34 C ATOM 946 CD1 LEU A 58 12.135 -11.547 3.590 1.00 35.11 C ATOM 947 CD2 LEU A 58 12.119 -14.039 3.809 1.00 2.34 C ATOM 0 H LEU A 58 14.282 -11.545 0.277 1.00 4.52 H new ATOM 0 HA LEU A 58 14.803 -13.763 1.809 1.00 71.32 H new ATOM 0 HB2 LEU A 58 12.587 -12.002 1.214 1.00 15.42 H new ATOM 0 HB3 LEU A 58 11.996 -13.645 1.359 1.00 15.42 H new ATOM 0 HG LEU A 58 13.843 -12.818 3.511 1.00 30.34 H new ATOM 0 HD11 LEU A 58 12.145 -11.469 4.677 1.00 35.11 H new ATOM 0 HD12 LEU A 58 12.672 -10.701 3.161 1.00 35.11 H new ATOM 0 HD13 LEU A 58 11.104 -11.541 3.235 1.00 35.11 H new ATOM 0 HD21 LEU A 58 12.128 -13.926 4.893 1.00 2.34 H new ATOM 0 HD22 LEU A 58 11.088 -14.095 3.459 1.00 2.34 H new ATOM 0 HD23 LEU A 58 12.646 -14.953 3.535 1.00 2.34 H new ATOM 959 N ASN A 59 13.312 -14.547 -1.023 1.00 53.00 N ATOM 960 CA ASN A 59 12.992 -15.658 -1.912 1.00 43.35 C ATOM 961 C ASN A 59 13.555 -15.415 -3.310 1.00 14.32 C ATOM 962 O ASN A 59 13.093 -14.530 -4.031 1.00 21.13 O ATOM 963 CB ASN A 59 11.477 -15.858 -1.988 1.00 64.40 C ATOM 964 CG ASN A 59 11.096 -17.314 -2.176 1.00 73.02 C ATOM 965 OD1 ASN A 59 11.664 -18.203 -1.542 1.00 71.21 O ATOM 966 ND2 ASN A 59 10.129 -17.564 -3.052 1.00 13.54 N ATOM 0 H ASN A 59 13.120 -13.625 -1.414 1.00 53.00 H new ATOM 0 HA ASN A 59 13.451 -16.560 -1.506 1.00 43.35 H new ATOM 0 HB2 ASN A 59 11.017 -15.480 -1.075 1.00 64.40 H new ATOM 0 HB3 ASN A 59 11.076 -15.271 -2.814 1.00 64.40 H new ATOM 0 HD21 ASN A 59 9.830 -18.524 -3.221 1.00 13.54 H new ATOM 0 HD22 ASN A 59 9.686 -16.796 -3.555 1.00 13.54 H new ATOM 973 N SER A 60 14.554 -16.207 -3.686 1.00 12.34 N ATOM 974 CA SER A 60 15.182 -16.076 -4.995 1.00 73.02 C ATOM 975 C SER A 60 14.129 -15.992 -6.096 1.00 61.44 C ATOM 976 O SER A 60 13.282 -16.877 -6.230 1.00 41.44 O ATOM 977 CB SER A 60 16.117 -17.259 -5.256 1.00 55.43 C ATOM 978 OG SER A 60 16.027 -17.691 -6.603 1.00 25.53 O ATOM 0 H SER A 60 14.946 -16.946 -3.102 1.00 12.34 H new ATOM 0 HA SER A 60 15.764 -15.154 -5.002 1.00 73.02 H new ATOM 0 HB2 SER A 60 17.144 -16.972 -5.030 1.00 55.43 H new ATOM 0 HB3 SER A 60 15.862 -18.082 -4.589 1.00 55.43 H new ATOM 0 HG SER A 60 16.635 -18.447 -6.746 1.00 25.53 H new ATOM 984 N LEU A 61 14.189 -14.923 -6.883 1.00 34.42 N ATOM 985 CA LEU A 61 13.241 -14.722 -7.974 1.00 21.34 C ATOM 986 C LEU A 61 13.085 -15.994 -8.801 1.00 33.55 C ATOM 987 O LEU A 61 14.070 -16.580 -9.248 1.00 64.55 O ATOM 988 CB LEU A 61 13.702 -13.571 -8.870 1.00 34.33 C ATOM 989 CG LEU A 61 14.981 -13.815 -9.671 1.00 0.12 C ATOM 990 CD1 LEU A 61 15.122 -12.783 -10.779 1.00 55.01 C ATOM 991 CD2 LEU A 61 16.197 -13.786 -8.756 1.00 33.51 C ATOM 0 H LEU A 61 14.884 -14.182 -6.786 1.00 34.42 H new ATOM 0 HA LEU A 61 12.273 -14.472 -7.540 1.00 21.34 H new ATOM 0 HB2 LEU A 61 12.899 -13.337 -9.569 1.00 34.33 H new ATOM 0 HB3 LEU A 61 13.850 -12.689 -8.247 1.00 34.33 H new ATOM 0 HG LEU A 61 14.918 -14.803 -10.128 1.00 0.12 H new ATOM 0 HD11 LEU A 61 16.038 -12.973 -11.338 1.00 55.01 H new ATOM 0 HD12 LEU A 61 14.266 -12.851 -11.451 1.00 55.01 H new ATOM 0 HD13 LEU A 61 15.163 -11.785 -10.343 1.00 55.01 H new ATOM 0 HD21 LEU A 61 17.098 -13.962 -9.343 1.00 33.51 H new ATOM 0 HD22 LEU A 61 16.264 -12.812 -8.271 1.00 33.51 H new ATOM 0 HD23 LEU A 61 16.101 -14.563 -7.998 1.00 33.51 H new ATOM 1003 N ARG A 62 11.840 -16.415 -9.001 1.00 11.34 N ATOM 1004 CA ARG A 62 11.554 -17.617 -9.775 1.00 5.33 C ATOM 1005 C ARG A 62 11.386 -17.283 -11.254 1.00 60.32 C ATOM 1006 O ARG A 62 10.353 -17.581 -11.855 1.00 23.12 O ATOM 1007 CB ARG A 62 10.291 -18.300 -9.248 1.00 23.30 C ATOM 1008 CG ARG A 62 10.304 -19.812 -9.410 1.00 1.42 C ATOM 1009 CD ARG A 62 10.854 -20.500 -8.170 1.00 55.02 C ATOM 1010 NE ARG A 62 9.932 -21.505 -7.648 1.00 74.23 N ATOM 1011 CZ ARG A 62 9.747 -22.695 -8.209 1.00 64.22 C ATOM 1012 NH1 ARG A 62 10.419 -23.027 -9.303 1.00 54.04 N ATOM 1013 NH2 ARG A 62 8.891 -23.556 -7.675 1.00 73.31 N ATOM 0 H ARG A 62 11.013 -15.941 -8.637 1.00 11.34 H new ATOM 0 HA ARG A 62 12.398 -18.298 -9.668 1.00 5.33 H new ATOM 0 HB2 ARG A 62 10.170 -18.057 -8.192 1.00 23.30 H new ATOM 0 HB3 ARG A 62 9.424 -17.894 -9.770 1.00 23.30 H new ATOM 0 HG2 ARG A 62 9.292 -20.167 -9.606 1.00 1.42 H new ATOM 0 HG3 ARG A 62 10.909 -20.081 -10.276 1.00 1.42 H new ATOM 0 HD2 ARG A 62 11.807 -20.972 -8.410 1.00 55.02 H new ATOM 0 HD3 ARG A 62 11.052 -19.755 -7.400 1.00 55.02 H new ATOM 0 HE ARG A 62 9.401 -21.281 -6.806 1.00 74.23 H new ATOM 0 HH11 ARG A 62 11.080 -22.368 -9.715 1.00 54.04 H new ATOM 0 HH12 ARG A 62 10.275 -23.941 -9.732 1.00 54.04 H new ATOM 0 HH21 ARG A 62 8.374 -23.305 -6.833 1.00 73.31 H new ATOM 0 HH22 ARG A 62 8.750 -24.469 -8.107 1.00 73.31 H new ATOM 1027 N PHE A 63 12.407 -16.663 -11.836 1.00 24.23 N ATOM 1028 CA PHE A 63 12.372 -16.288 -13.244 1.00 42.33 C ATOM 1029 C PHE A 63 12.089 -17.502 -14.124 1.00 11.11 C ATOM 1030 O PHE A 63 11.653 -17.366 -15.266 1.00 45.14 O ATOM 1031 CB PHE A 63 13.698 -15.644 -13.656 1.00 11.13 C ATOM 1032 CG PHE A 63 14.818 -16.631 -13.821 1.00 11.05 C ATOM 1033 CD1 PHE A 63 15.341 -17.295 -12.723 1.00 11.04 C ATOM 1034 CD2 PHE A 63 15.347 -16.895 -15.073 1.00 64.33 C ATOM 1035 CE1 PHE A 63 16.372 -18.203 -12.872 1.00 21.15 C ATOM 1036 CE2 PHE A 63 16.378 -17.803 -15.228 1.00 44.25 C ATOM 1037 CZ PHE A 63 16.891 -18.458 -14.126 1.00 74.30 C ATOM 0 H PHE A 63 13.269 -16.410 -11.354 1.00 24.23 H new ATOM 0 HA PHE A 63 11.567 -15.566 -13.381 1.00 42.33 H new ATOM 0 HB2 PHE A 63 13.556 -15.107 -14.594 1.00 11.13 H new ATOM 0 HB3 PHE A 63 13.983 -14.906 -12.906 1.00 11.13 H new ATOM 0 HD1 PHE A 63 14.938 -17.101 -11.740 1.00 11.04 H new ATOM 0 HD2 PHE A 63 14.950 -16.386 -15.939 1.00 64.33 H new ATOM 0 HE1 PHE A 63 16.772 -18.713 -12.008 1.00 21.15 H new ATOM 0 HE2 PHE A 63 16.782 -18.000 -16.210 1.00 44.25 H new ATOM 0 HZ PHE A 63 17.696 -19.168 -14.245 1.00 74.30 H new ATOM 1047 N ASN A 64 12.340 -18.689 -13.582 1.00 64.20 N ATOM 1048 CA ASN A 64 12.114 -19.928 -14.317 1.00 72.31 C ATOM 1049 C ASN A 64 10.722 -19.943 -14.942 1.00 62.33 C ATOM 1050 O ASN A 64 10.493 -20.606 -15.953 1.00 61.34 O ATOM 1051 CB ASN A 64 12.282 -21.134 -13.390 1.00 14.31 C ATOM 1052 CG ASN A 64 13.737 -21.428 -13.081 1.00 50.24 C ATOM 1053 OD1 ASN A 64 14.578 -20.529 -13.087 1.00 1.22 O ATOM 1054 ND2 ASN A 64 14.041 -22.692 -12.811 1.00 15.12 N ATOM 0 H ASN A 64 12.700 -18.819 -12.637 1.00 64.20 H new ATOM 0 HA ASN A 64 12.853 -19.987 -15.116 1.00 72.31 H new ATOM 0 HB2 ASN A 64 11.746 -20.951 -12.459 1.00 14.31 H new ATOM 0 HB3 ASN A 64 11.827 -22.010 -13.852 1.00 14.31 H new ATOM 0 HD21 ASN A 64 15.004 -22.950 -12.597 1.00 15.12 H new ATOM 0 HD22 ASN A 64 13.311 -23.405 -12.817 1.00 15.12 H new ATOM 1061 N GLN A 65 9.798 -19.207 -14.333 1.00 70.44 N ATOM 1062 CA GLN A 65 8.429 -19.136 -14.831 1.00 21.54 C ATOM 1063 C GLN A 65 8.130 -17.757 -15.408 1.00 4.33 C ATOM 1064 O GLN A 65 9.036 -16.949 -15.612 1.00 63.42 O ATOM 1065 CB GLN A 65 7.440 -19.459 -13.709 1.00 55.54 C ATOM 1066 CG GLN A 65 6.454 -20.559 -14.066 1.00 33.53 C ATOM 1067 CD GLN A 65 5.013 -20.150 -13.832 1.00 73.55 C ATOM 1068 OE1 GLN A 65 4.523 -19.192 -14.430 1.00 10.41 O ATOM 1069 NE2 GLN A 65 4.324 -20.877 -12.960 1.00 65.50 N ATOM 0 H GLN A 65 9.972 -18.652 -13.495 1.00 70.44 H new ATOM 0 HA GLN A 65 8.319 -19.873 -15.627 1.00 21.54 H new ATOM 0 HB2 GLN A 65 7.996 -19.756 -12.820 1.00 55.54 H new ATOM 0 HB3 GLN A 65 6.887 -18.556 -13.452 1.00 55.54 H new ATOM 0 HG2 GLN A 65 6.584 -20.833 -15.113 1.00 33.53 H new ATOM 0 HG3 GLN A 65 6.676 -21.447 -13.474 1.00 33.53 H new ATOM 0 HE21 GLN A 65 4.770 -21.663 -12.487 1.00 65.50 H new ATOM 0 HE22 GLN A 65 3.349 -20.649 -12.764 1.00 65.50 H new ATOM 1078 N ALA A 66 6.854 -17.494 -15.669 1.00 1.54 N ATOM 1079 CA ALA A 66 6.436 -16.211 -16.221 1.00 10.04 C ATOM 1080 C ALA A 66 6.673 -15.081 -15.224 1.00 75.13 C ATOM 1081 O ALA A 66 7.370 -15.258 -14.225 1.00 53.40 O ATOM 1082 CB ALA A 66 4.970 -16.263 -16.624 1.00 51.14 C ATOM 0 H ALA A 66 6.092 -18.152 -15.507 1.00 1.54 H new ATOM 0 HA ALA A 66 7.038 -16.011 -17.107 1.00 10.04 H new ATOM 0 HB1 ALA A 66 4.671 -15.299 -17.035 1.00 51.14 H new ATOM 0 HB2 ALA A 66 4.827 -17.038 -17.377 1.00 51.14 H new ATOM 0 HB3 ALA A 66 4.360 -16.490 -15.750 1.00 51.14 H new ATOM 1088 N ASP A 67 6.089 -13.921 -15.503 1.00 53.12 N ATOM 1089 CA ASP A 67 6.236 -12.762 -14.631 1.00 11.43 C ATOM 1090 C ASP A 67 6.143 -13.170 -13.164 1.00 24.31 C ATOM 1091 O ASP A 67 5.071 -13.524 -12.674 1.00 54.55 O ATOM 1092 CB ASP A 67 5.166 -11.717 -14.950 1.00 54.14 C ATOM 1093 CG ASP A 67 3.765 -12.212 -14.650 1.00 33.43 C ATOM 1094 OD1 ASP A 67 3.219 -12.982 -15.468 1.00 20.41 O ATOM 1095 OD2 ASP A 67 3.214 -11.831 -13.596 1.00 4.11 O ATOM 0 H ASP A 67 5.509 -13.758 -16.326 1.00 53.12 H new ATOM 0 HA ASP A 67 7.220 -12.329 -14.808 1.00 11.43 H new ATOM 0 HB2 ASP A 67 5.361 -10.814 -14.372 1.00 54.14 H new ATOM 0 HB3 ASP A 67 5.233 -11.442 -16.003 1.00 54.14 H new ATOM 1100 N TRP A 68 7.274 -13.121 -12.469 1.00 41.51 N ATOM 1101 CA TRP A 68 7.321 -13.487 -11.058 1.00 55.20 C ATOM 1102 C TRP A 68 7.543 -12.258 -10.184 1.00 14.34 C ATOM 1103 O TRP A 68 7.605 -11.132 -10.680 1.00 73.42 O ATOM 1104 CB TRP A 68 8.430 -14.510 -10.812 1.00 22.31 C ATOM 1105 CG TRP A 68 8.039 -15.591 -9.850 1.00 73.34 C ATOM 1106 CD1 TRP A 68 8.506 -15.766 -8.579 1.00 15.21 C ATOM 1107 CD2 TRP A 68 7.101 -16.648 -10.084 1.00 43.13 C ATOM 1108 NE1 TRP A 68 7.915 -16.867 -8.008 1.00 72.43 N ATOM 1109 CE2 TRP A 68 7.049 -17.426 -8.911 1.00 12.51 C ATOM 1110 CE3 TRP A 68 6.300 -17.012 -11.170 1.00 12.33 C ATOM 1111 CZ2 TRP A 68 6.228 -18.544 -8.796 1.00 14.14 C ATOM 1112 CZ3 TRP A 68 5.486 -18.122 -11.054 1.00 34.22 C ATOM 1113 CH2 TRP A 68 5.454 -18.877 -9.874 1.00 34.22 C ATOM 0 H TRP A 68 8.171 -12.831 -12.860 1.00 41.51 H new ATOM 0 HA TRP A 68 6.362 -13.931 -10.791 1.00 55.20 H new ATOM 0 HB2 TRP A 68 8.713 -14.964 -11.762 1.00 22.31 H new ATOM 0 HB3 TRP A 68 9.311 -13.995 -10.430 1.00 22.31 H new ATOM 0 HD1 TRP A 68 9.233 -15.132 -8.094 1.00 15.21 H new ATOM 0 HE1 TRP A 68 8.092 -17.212 -7.065 1.00 72.43 H new ATOM 0 HE3 TRP A 68 6.317 -16.436 -12.083 1.00 12.33 H new ATOM 0 HZ2 TRP A 68 6.203 -19.128 -7.888 1.00 14.14 H new ATOM 0 HZ3 TRP A 68 4.863 -18.413 -11.887 1.00 34.22 H new ATOM 0 HH2 TRP A 68 4.806 -19.739 -9.814 1.00 34.22 H new ATOM 1124 N THR A 69 7.662 -12.479 -8.878 1.00 41.11 N ATOM 1125 CA THR A 69 7.876 -11.389 -7.935 1.00 4.03 C ATOM 1126 C THR A 69 9.079 -11.665 -7.040 1.00 45.31 C ATOM 1127 O THR A 69 9.305 -12.800 -6.621 1.00 24.25 O ATOM 1128 CB THR A 69 6.636 -11.159 -7.051 1.00 11.11 C ATOM 1129 OG1 THR A 69 5.918 -12.387 -6.886 1.00 15.53 O ATOM 1130 CG2 THR A 69 5.722 -10.109 -7.664 1.00 73.03 C ATOM 0 H THR A 69 7.614 -13.404 -8.450 1.00 41.11 H new ATOM 0 HA THR A 69 8.063 -10.492 -8.526 1.00 4.03 H new ATOM 0 HB THR A 69 6.972 -10.801 -6.078 1.00 11.11 H new ATOM 0 HG1 THR A 69 5.132 -12.233 -6.321 1.00 15.53 H new ATOM 0 HG21 THR A 69 4.853 -9.964 -7.022 1.00 73.03 H new ATOM 0 HG22 THR A 69 6.263 -9.168 -7.761 1.00 73.03 H new ATOM 0 HG23 THR A 69 5.394 -10.442 -8.649 1.00 73.03 H new ATOM 1138 N ILE A 70 9.848 -10.620 -6.751 1.00 51.13 N ATOM 1139 CA ILE A 70 11.027 -10.750 -5.904 1.00 61.45 C ATOM 1140 C ILE A 70 10.952 -9.807 -4.709 1.00 23.13 C ATOM 1141 O ILE A 70 10.846 -8.591 -4.869 1.00 74.21 O ATOM 1142 CB ILE A 70 12.320 -10.463 -6.691 1.00 14.21 C ATOM 1143 CG1 ILE A 70 13.537 -10.566 -5.770 1.00 32.14 C ATOM 1144 CG2 ILE A 70 12.252 -9.087 -7.336 1.00 10.41 C ATOM 1145 CD1 ILE A 70 13.610 -11.871 -5.009 1.00 34.43 C ATOM 0 H ILE A 70 9.675 -9.674 -7.091 1.00 51.13 H new ATOM 0 HA ILE A 70 11.049 -11.780 -5.549 1.00 61.45 H new ATOM 0 HB ILE A 70 12.421 -11.208 -7.480 1.00 14.21 H new ATOM 0 HG12 ILE A 70 14.443 -10.450 -6.365 1.00 32.14 H new ATOM 0 HG13 ILE A 70 13.515 -9.741 -5.058 1.00 32.14 H new ATOM 0 HG21 ILE A 70 13.172 -8.898 -7.889 1.00 10.41 H new ATOM 0 HG22 ILE A 70 11.404 -9.047 -8.019 1.00 10.41 H new ATOM 0 HG23 ILE A 70 12.131 -8.328 -6.563 1.00 10.41 H new ATOM 0 HD11 ILE A 70 14.498 -11.874 -4.376 1.00 34.43 H new ATOM 0 HD12 ILE A 70 12.721 -11.980 -4.388 1.00 34.43 H new ATOM 0 HD13 ILE A 70 13.664 -12.701 -5.714 1.00 34.43 H new ATOM 1157 N VAL A 71 11.011 -10.376 -3.509 1.00 12.24 N ATOM 1158 CA VAL A 71 10.953 -9.586 -2.285 1.00 12.34 C ATOM 1159 C VAL A 71 12.350 -9.192 -1.818 1.00 53.41 C ATOM 1160 O VAL A 71 13.251 -10.028 -1.745 1.00 54.54 O ATOM 1161 CB VAL A 71 10.244 -10.354 -1.154 1.00 34.13 C ATOM 1162 CG1 VAL A 71 8.779 -10.578 -1.497 1.00 71.42 C ATOM 1163 CG2 VAL A 71 10.946 -11.677 -0.887 1.00 51.10 C ATOM 0 H VAL A 71 11.099 -11.381 -3.359 1.00 12.24 H new ATOM 0 HA VAL A 71 10.383 -8.686 -2.516 1.00 12.34 H new ATOM 0 HB VAL A 71 10.292 -9.754 -0.245 1.00 34.13 H new ATOM 0 HG11 VAL A 71 8.295 -11.122 -0.686 1.00 71.42 H new ATOM 0 HG12 VAL A 71 8.286 -9.615 -1.633 1.00 71.42 H new ATOM 0 HG13 VAL A 71 8.705 -11.157 -2.417 1.00 71.42 H new ATOM 0 HG21 VAL A 71 10.432 -12.206 -0.085 1.00 51.10 H new ATOM 0 HG22 VAL A 71 10.931 -12.286 -1.791 1.00 51.10 H new ATOM 0 HG23 VAL A 71 11.979 -11.488 -0.593 1.00 51.10 H new ATOM 1173 N VAL A 72 12.523 -7.912 -1.502 1.00 62.12 N ATOM 1174 CA VAL A 72 13.810 -7.406 -1.041 1.00 25.43 C ATOM 1175 C VAL A 72 13.686 -6.759 0.334 1.00 32.41 C ATOM 1176 O VAL A 72 12.876 -5.854 0.534 1.00 44.40 O ATOM 1177 CB VAL A 72 14.397 -6.380 -2.028 1.00 12.31 C ATOM 1178 CG1 VAL A 72 15.817 -6.007 -1.630 1.00 52.12 C ATOM 1179 CG2 VAL A 72 14.357 -6.924 -3.448 1.00 4.11 C ATOM 0 H VAL A 72 11.788 -7.207 -1.557 1.00 62.12 H new ATOM 0 HA VAL A 72 14.481 -8.262 -0.977 1.00 25.43 H new ATOM 0 HB VAL A 72 13.787 -5.477 -1.992 1.00 12.31 H new ATOM 0 HG11 VAL A 72 16.215 -5.281 -2.339 1.00 52.12 H new ATOM 0 HG12 VAL A 72 15.812 -5.573 -0.630 1.00 52.12 H new ATOM 0 HG13 VAL A 72 16.443 -6.900 -1.635 1.00 52.12 H new ATOM 0 HG21 VAL A 72 14.776 -6.186 -4.132 1.00 4.11 H new ATOM 0 HG22 VAL A 72 14.942 -7.842 -3.502 1.00 4.11 H new ATOM 0 HG23 VAL A 72 13.325 -7.134 -3.728 1.00 4.11 H new ATOM 1189 N ARG A 73 14.493 -7.230 1.279 1.00 62.11 N ATOM 1190 CA ARG A 73 14.473 -6.698 2.636 1.00 0.10 C ATOM 1191 C ARG A 73 15.643 -5.746 2.864 1.00 3.31 C ATOM 1192 O ARG A 73 16.799 -6.167 2.922 1.00 33.12 O ATOM 1193 CB ARG A 73 14.523 -7.838 3.655 1.00 64.14 C ATOM 1194 CG ARG A 73 15.632 -8.843 3.389 1.00 24.14 C ATOM 1195 CD ARG A 73 16.486 -9.070 4.627 1.00 4.11 C ATOM 1196 NE ARG A 73 15.675 -9.366 5.805 1.00 63.51 N ATOM 1197 CZ ARG A 73 16.125 -9.266 7.051 1.00 73.01 C ATOM 1198 NH1 ARG A 73 17.372 -8.878 7.280 1.00 33.32 N ATOM 1199 NH2 ARG A 73 15.326 -9.553 8.071 1.00 71.33 N ATOM 0 H ARG A 73 15.169 -7.979 1.130 1.00 62.11 H new ATOM 0 HA ARG A 73 13.544 -6.143 2.768 1.00 0.10 H new ATOM 0 HB2 ARG A 73 14.656 -7.418 4.652 1.00 64.14 H new ATOM 0 HB3 ARG A 73 13.565 -8.358 3.654 1.00 64.14 H new ATOM 0 HG2 ARG A 73 15.198 -9.789 3.067 1.00 24.14 H new ATOM 0 HG3 ARG A 73 16.260 -8.486 2.573 1.00 24.14 H new ATOM 0 HD2 ARG A 73 17.176 -9.894 4.445 1.00 4.11 H new ATOM 0 HD3 ARG A 73 17.091 -8.184 4.817 1.00 4.11 H new ATOM 0 HE ARG A 73 14.710 -9.666 5.663 1.00 63.51 H new ATOM 0 HH11 ARG A 73 17.989 -8.655 6.498 1.00 33.32 H new ATOM 0 HH12 ARG A 73 17.715 -8.802 8.238 1.00 33.32 H new ATOM 0 HH21 ARG A 73 14.366 -9.851 7.899 1.00 71.33 H new ATOM 0 HH22 ARG A 73 15.672 -9.476 9.027 1.00 71.33 H new ATOM 1213 N LYS A 74 15.336 -4.459 2.992 1.00 24.31 N ATOM 1214 CA LYS A 74 16.361 -3.446 3.214 1.00 21.14 C ATOM 1215 C LYS A 74 17.040 -3.647 4.565 1.00 4.33 C ATOM 1216 O LYS A 74 16.486 -4.282 5.463 1.00 41.24 O ATOM 1217 CB LYS A 74 15.747 -2.046 3.143 1.00 21.12 C ATOM 1218 CG LYS A 74 15.930 -1.370 1.796 1.00 41.53 C ATOM 1219 CD LYS A 74 15.336 0.029 1.789 1.00 72.14 C ATOM 1220 CE LYS A 74 13.945 0.040 1.172 1.00 44.52 C ATOM 1221 NZ LYS A 74 13.101 -1.073 1.686 1.00 23.31 N ATOM 0 H LYS A 74 14.385 -4.093 2.946 1.00 24.31 H new ATOM 0 HA LYS A 74 17.112 -3.547 2.431 1.00 21.14 H new ATOM 0 HB2 LYS A 74 14.682 -2.114 3.364 1.00 21.12 H new ATOM 0 HB3 LYS A 74 16.194 -1.422 3.917 1.00 21.12 H new ATOM 0 HG2 LYS A 74 16.992 -1.317 1.556 1.00 41.53 H new ATOM 0 HG3 LYS A 74 15.457 -1.971 1.019 1.00 41.53 H new ATOM 0 HD2 LYS A 74 15.286 0.409 2.809 1.00 72.14 H new ATOM 0 HD3 LYS A 74 15.989 0.700 1.230 1.00 72.14 H new ATOM 0 HE2 LYS A 74 13.460 0.992 1.387 1.00 44.52 H new ATOM 0 HE3 LYS A 74 14.028 -0.038 0.088 1.00 44.52 H new ATOM 0 HZ1 LYS A 74 12.213 -1.114 1.146 1.00 23.31 H new ATOM 0 HZ2 LYS A 74 13.612 -1.973 1.581 1.00 23.31 H new ATOM 0 HZ3 LYS A 74 12.888 -0.911 2.691 1.00 23.31 H new ATOM 1235 N LYS A 75 18.243 -3.100 4.704 1.00 24.04 N ATOM 1236 CA LYS A 75 18.998 -3.216 5.947 1.00 41.14 C ATOM 1237 C LYS A 75 20.194 -2.269 5.947 1.00 30.11 C ATOM 1238 O LYS A 75 20.525 -1.673 6.971 1.00 22.15 O ATOM 1239 CB LYS A 75 19.475 -4.657 6.145 1.00 14.43 C ATOM 1240 CG LYS A 75 19.169 -5.213 7.525 1.00 21.41 C ATOM 1241 CD LYS A 75 20.394 -5.180 8.424 1.00 70.14 C ATOM 1242 CE LYS A 75 20.075 -5.690 9.820 1.00 34.44 C ATOM 1243 NZ LYS A 75 20.480 -7.112 9.998 1.00 64.22 N ATOM 0 H LYS A 75 18.716 -2.572 3.971 1.00 24.04 H new ATOM 0 HA LYS A 75 18.339 -2.941 6.771 1.00 41.14 H new ATOM 0 HB2 LYS A 75 19.006 -5.293 5.394 1.00 14.43 H new ATOM 0 HB3 LYS A 75 20.551 -4.702 5.974 1.00 14.43 H new ATOM 0 HG2 LYS A 75 18.366 -4.634 7.981 1.00 21.41 H new ATOM 0 HG3 LYS A 75 18.811 -6.238 7.434 1.00 21.41 H new ATOM 0 HD2 LYS A 75 21.185 -5.788 7.985 1.00 70.14 H new ATOM 0 HD3 LYS A 75 20.774 -4.160 8.486 1.00 70.14 H new ATOM 0 HE2 LYS A 75 20.586 -5.072 10.558 1.00 34.44 H new ATOM 0 HE3 LYS A 75 19.006 -5.591 10.007 1.00 34.44 H new ATOM 0 HZ1 LYS A 75 20.245 -7.422 10.963 1.00 64.22 H new ATOM 0 HZ2 LYS A 75 19.973 -7.706 9.311 1.00 64.22 H new ATOM 0 HZ3 LYS A 75 21.505 -7.203 9.845 1.00 64.22 H new ATOM 1257 N ALA A 76 20.837 -2.135 4.792 1.00 40.32 N ATOM 1258 CA ALA A 76 21.994 -1.258 4.659 1.00 54.42 C ATOM 1259 C ALA A 76 22.275 -0.938 3.194 1.00 33.14 C ATOM 1260 O ALA A 76 21.700 -0.006 2.631 1.00 11.22 O ATOM 1261 CB ALA A 76 23.215 -1.893 5.306 1.00 1.03 C ATOM 0 H ALA A 76 20.576 -2.623 3.935 1.00 40.32 H new ATOM 0 HA ALA A 76 21.770 -0.322 5.172 1.00 54.42 H new ATOM 0 HB1 ALA A 76 24.071 -1.227 5.199 1.00 1.03 H new ATOM 0 HB2 ALA A 76 23.018 -2.064 6.364 1.00 1.03 H new ATOM 0 HB3 ALA A 76 23.432 -2.844 4.819 1.00 1.03 H new TER 1267 ALA A 76