USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 770 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 TYR OH : rot -113:sc= -0.159 USER MOD Set 1.2: A 114 LYS NZ :NH3+ -160:sc= 1.24 (180deg=0.209) USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc= -0.0188 USER MOD Set 2.2: A 71 ASN : amide:sc= -0.0496 X(o=-0.068,f=0.002) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 152:sc= 2.12 (180deg=1.07) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 20:sc= 1.01 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0857 K(o=-0.086,f=-1.4!) USER MOD Single : A 66 LYS NZ :NH3+ 131:sc= 0.124 (180deg=-0.107) USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.15) USER MOD Single : A 74 LYS NZ :NH3+ -108:sc= -0.0886 (180deg=-0.784) USER MOD Single : A 76 MET CE :methyl 160:sc= -0.461 (180deg=-1.96) USER MOD Single : A 78 LYS NZ :NH3+ -174:sc= -0.0606 (180deg=-0.172) USER MOD Single : A 79 SER OG : rot 75:sc= 0.771 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.0082) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0404 USER MOD Single : A 88 LYS NZ :NH3+ 157:sc= -0.101 (180deg=-0.463) USER MOD Single : A 91 LYS NZ :NH3+ -145:sc= 1.21 (180deg=1.02) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.0055) USER MOD Single : A 116 LYS NZ :NH3+ -166:sc= 1.01 (180deg=0.804) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 134 SER OG : rot 180:sc= -0.0823 USER MOD Single : A 135 LYS NZ :NH3+ 166:sc= 2.12 (180deg=0.973) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 43 -16.474 -4.809 -0.043 1.00 1.02 N ATOM 102 CA GLU A 43 -15.491 -5.471 0.801 1.00 0.97 C ATOM 103 C GLU A 43 -14.076 -5.303 0.246 1.00 0.80 C ATOM 104 O GLU A 43 -13.870 -5.228 -0.969 1.00 0.79 O ATOM 105 CB GLU A 43 -15.833 -6.956 0.966 1.00 1.17 C ATOM 106 CG GLU A 43 -15.882 -7.737 -0.338 1.00 1.78 C ATOM 107 CD GLU A 43 -16.224 -9.197 -0.123 1.00 2.27 C ATOM 108 OE1 GLU A 43 -15.558 -9.851 0.705 1.00 2.15 O ATOM 109 OE2 GLU A 43 -17.165 -9.695 -0.773 1.00 3.10 O ATOM 0 HA GLU A 43 -15.522 -4.997 1.782 1.00 0.97 H new ATOM 0 HB2 GLU A 43 -15.095 -7.416 1.623 1.00 1.17 H new ATOM 0 HB3 GLU A 43 -16.799 -7.041 1.463 1.00 1.17 H new ATOM 0 HG2 GLU A 43 -16.621 -7.287 -1.001 1.00 1.78 H new ATOM 0 HG3 GLU A 43 -14.917 -7.662 -0.840 1.00 1.78 H new ATOM 116 N TRP A 44 -13.105 -5.234 1.144 1.00 0.71 N ATOM 117 CA TRP A 44 -11.721 -5.045 0.752 1.00 0.60 C ATOM 118 C TRP A 44 -11.091 -6.397 0.443 1.00 0.60 C ATOM 119 O TRP A 44 -10.793 -7.171 1.350 1.00 0.64 O ATOM 120 CB TRP A 44 -10.944 -4.325 1.866 1.00 0.57 C ATOM 121 CG TRP A 44 -9.761 -3.542 1.375 1.00 0.48 C ATOM 122 CD1 TRP A 44 -9.688 -2.820 0.219 1.00 0.50 C ATOM 123 CD2 TRP A 44 -8.491 -3.372 2.033 1.00 0.44 C ATOM 124 NE1 TRP A 44 -8.460 -2.218 0.116 1.00 0.46 N ATOM 125 CE2 TRP A 44 -7.705 -2.545 1.208 1.00 0.41 C ATOM 126 CE3 TRP A 44 -7.934 -3.847 3.228 1.00 0.48 C ATOM 127 CZ2 TRP A 44 -6.409 -2.166 1.543 1.00 0.41 C ATOM 128 CZ3 TRP A 44 -6.643 -3.471 3.558 1.00 0.49 C ATOM 129 CH2 TRP A 44 -5.892 -2.640 2.712 1.00 0.44 C ATOM 0 H TRP A 44 -13.253 -5.306 2.151 1.00 0.71 H new ATOM 0 HA TRP A 44 -11.682 -4.424 -0.143 1.00 0.60 H new ATOM 0 HB2 TRP A 44 -11.621 -3.651 2.390 1.00 0.57 H new ATOM 0 HB3 TRP A 44 -10.603 -5.063 2.592 1.00 0.57 H new ATOM 0 HD1 TRP A 44 -10.482 -2.735 -0.509 1.00 0.50 H new ATOM 0 HE1 TRP A 44 -8.158 -1.621 -0.654 1.00 0.46 H new ATOM 0 HE3 TRP A 44 -8.502 -4.495 3.880 1.00 0.48 H new ATOM 0 HZ2 TRP A 44 -5.832 -1.519 0.899 1.00 0.41 H new ATOM 0 HZ3 TRP A 44 -6.207 -3.823 4.481 1.00 0.49 H new ATOM 0 HH2 TRP A 44 -4.884 -2.371 2.993 1.00 0.44 H new ATOM 140 N VAL A 45 -10.903 -6.678 -0.845 1.00 0.61 N ATOM 141 CA VAL A 45 -10.361 -7.964 -1.293 1.00 0.64 C ATOM 142 C VAL A 45 -8.918 -8.172 -0.824 1.00 0.57 C ATOM 143 O VAL A 45 -8.371 -9.267 -0.925 1.00 0.69 O ATOM 144 CB VAL A 45 -10.419 -8.096 -2.830 1.00 0.72 C ATOM 145 CG1 VAL A 45 -11.861 -8.163 -3.305 1.00 1.45 C ATOM 146 CG2 VAL A 45 -9.697 -6.935 -3.499 1.00 1.28 C ATOM 0 H VAL A 45 -11.119 -6.030 -1.602 1.00 0.61 H new ATOM 0 HA VAL A 45 -10.988 -8.733 -0.843 1.00 0.64 H new ATOM 0 HB VAL A 45 -9.916 -9.022 -3.110 1.00 0.72 H new ATOM 0 HG11 VAL A 45 -11.882 -8.256 -4.391 1.00 1.45 H new ATOM 0 HG12 VAL A 45 -12.352 -9.027 -2.857 1.00 1.45 H new ATOM 0 HG13 VAL A 45 -12.384 -7.254 -3.008 1.00 1.45 H new ATOM 0 HG21 VAL A 45 -9.750 -7.049 -4.582 1.00 1.28 H new ATOM 0 HG22 VAL A 45 -10.170 -5.997 -3.209 1.00 1.28 H new ATOM 0 HG23 VAL A 45 -8.653 -6.927 -3.186 1.00 1.28 H new ATOM 156 N VAL A 46 -8.312 -7.112 -0.313 1.00 0.46 N ATOM 157 CA VAL A 46 -6.959 -7.175 0.226 1.00 0.42 C ATOM 158 C VAL A 46 -6.984 -7.707 1.654 1.00 0.38 C ATOM 159 O VAL A 46 -5.973 -8.165 2.183 1.00 0.41 O ATOM 160 CB VAL A 46 -6.300 -5.777 0.187 1.00 0.46 C ATOM 161 CG1 VAL A 46 -4.854 -5.838 0.644 1.00 0.54 C ATOM 162 CG2 VAL A 46 -6.396 -5.180 -1.213 1.00 1.10 C ATOM 0 H VAL A 46 -8.740 -6.188 -0.259 1.00 0.46 H new ATOM 0 HA VAL A 46 -6.370 -7.855 -0.390 1.00 0.42 H new ATOM 0 HB VAL A 46 -6.841 -5.131 0.878 1.00 0.46 H new ATOM 0 HG11 VAL A 46 -4.418 -4.840 0.606 1.00 0.54 H new ATOM 0 HG12 VAL A 46 -4.811 -6.214 1.666 1.00 0.54 H new ATOM 0 HG13 VAL A 46 -4.293 -6.504 -0.011 1.00 0.54 H new ATOM 0 HG21 VAL A 46 -5.927 -4.196 -1.222 1.00 1.10 H new ATOM 0 HG22 VAL A 46 -5.886 -5.832 -1.922 1.00 1.10 H new ATOM 0 HG23 VAL A 46 -7.444 -5.085 -1.497 1.00 1.10 H new ATOM 172 N GLY A 47 -8.166 -7.687 2.254 1.00 0.40 N ATOM 173 CA GLY A 47 -8.314 -8.139 3.620 1.00 0.47 C ATOM 174 C GLY A 47 -8.247 -9.643 3.747 1.00 0.49 C ATOM 175 O GLY A 47 -8.135 -10.169 4.855 1.00 0.59 O ATOM 0 H GLY A 47 -9.028 -7.364 1.815 1.00 0.40 H new ATOM 0 HA2 GLY A 47 -7.532 -7.692 4.233 1.00 0.47 H new ATOM 0 HA3 GLY A 47 -9.268 -7.787 4.013 1.00 0.47 H new ATOM 179 N LYS A 48 -8.297 -10.346 2.623 1.00 0.49 N ATOM 180 CA LYS A 48 -8.259 -11.800 2.663 1.00 0.61 C ATOM 181 C LYS A 48 -6.815 -12.281 2.768 1.00 0.60 C ATOM 182 O LYS A 48 -6.543 -13.343 3.330 1.00 0.73 O ATOM 183 CB LYS A 48 -8.919 -12.419 1.427 1.00 0.72 C ATOM 184 CG LYS A 48 -8.018 -12.439 0.206 1.00 0.74 C ATOM 185 CD LYS A 48 -8.427 -13.525 -0.770 1.00 0.96 C ATOM 186 CE LYS A 48 -7.240 -14.002 -1.598 1.00 1.82 C ATOM 187 NZ LYS A 48 -7.553 -15.248 -2.343 1.00 2.46 N ATOM 0 H LYS A 48 -8.363 -9.942 1.689 1.00 0.49 H new ATOM 0 HA LYS A 48 -8.820 -12.121 3.541 1.00 0.61 H new ATOM 0 HB2 LYS A 48 -9.224 -13.439 1.660 1.00 0.72 H new ATOM 0 HB3 LYS A 48 -9.825 -11.861 1.191 1.00 0.72 H new ATOM 0 HG2 LYS A 48 -8.055 -11.469 -0.291 1.00 0.74 H new ATOM 0 HG3 LYS A 48 -6.986 -12.598 0.517 1.00 0.74 H new ATOM 0 HD2 LYS A 48 -8.853 -14.366 -0.223 1.00 0.96 H new ATOM 0 HD3 LYS A 48 -9.206 -13.147 -1.432 1.00 0.96 H new ATOM 0 HE2 LYS A 48 -6.950 -13.221 -2.301 1.00 1.82 H new ATOM 0 HE3 LYS A 48 -6.386 -14.175 -0.943 1.00 1.82 H new ATOM 0 HZ1 LYS A 48 -6.721 -15.541 -2.894 1.00 2.46 H new ATOM 0 HZ2 LYS A 48 -7.805 -16.000 -1.671 1.00 2.46 H new ATOM 0 HZ3 LYS A 48 -8.352 -15.076 -2.986 1.00 2.46 H new ATOM 201 N ASP A 49 -5.888 -11.484 2.236 1.00 0.48 N ATOM 202 CA ASP A 49 -4.468 -11.798 2.328 1.00 0.50 C ATOM 203 C ASP A 49 -3.832 -10.862 3.326 1.00 0.44 C ATOM 204 O ASP A 49 -2.646 -10.563 3.243 1.00 0.45 O ATOM 205 CB ASP A 49 -3.758 -11.580 0.983 1.00 0.60 C ATOM 206 CG ASP A 49 -4.397 -12.297 -0.184 1.00 1.16 C ATOM 207 OD1 ASP A 49 -4.127 -13.501 -0.357 1.00 1.52 O ATOM 208 OD2 ASP A 49 -5.212 -11.676 -0.895 1.00 1.66 O ATOM 0 H ASP A 49 -6.098 -10.619 1.738 1.00 0.48 H new ATOM 0 HA ASP A 49 -4.371 -12.843 2.624 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -3.733 -10.512 0.768 1.00 0.60 H new ATOM 0 HB3 ASP A 49 -2.723 -11.911 1.074 1.00 0.60 H new ATOM 213 N LYS A 50 -4.601 -10.451 4.313 1.00 0.43 N ATOM 214 CA LYS A 50 -4.145 -9.409 5.209 1.00 0.49 C ATOM 215 C LYS A 50 -3.437 -9.967 6.444 1.00 0.45 C ATOM 216 O LYS A 50 -2.320 -9.552 6.727 1.00 0.45 O ATOM 217 CB LYS A 50 -5.292 -8.494 5.627 1.00 0.70 C ATOM 218 CG LYS A 50 -4.795 -7.161 6.136 1.00 0.72 C ATOM 219 CD LYS A 50 -5.910 -6.304 6.695 1.00 0.90 C ATOM 220 CE LYS A 50 -5.416 -5.459 7.859 1.00 1.01 C ATOM 221 NZ LYS A 50 -4.030 -4.952 7.655 1.00 1.15 N ATOM 0 H LYS A 50 -5.532 -10.816 4.514 1.00 0.43 H new ATOM 0 HA LYS A 50 -3.416 -8.823 4.650 1.00 0.49 H new ATOM 0 HB2 LYS A 50 -5.956 -8.333 4.777 1.00 0.70 H new ATOM 0 HB3 LYS A 50 -5.881 -8.982 6.404 1.00 0.70 H new ATOM 0 HG2 LYS A 50 -4.046 -7.327 6.910 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -4.302 -6.626 5.324 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -6.303 -5.656 5.912 1.00 0.90 H new ATOM 0 HD3 LYS A 50 -6.732 -6.940 7.025 1.00 0.90 H new ATOM 0 HE2 LYS A 50 -6.090 -4.614 8.001 1.00 1.01 H new ATOM 0 HE3 LYS A 50 -5.451 -6.052 8.773 1.00 1.01 H new ATOM 0 HZ1 LYS A 50 -3.908 -4.058 8.173 1.00 1.15 H new ATOM 0 HZ2 LYS A 50 -3.348 -5.653 8.009 1.00 1.15 H new ATOM 0 HZ3 LYS A 50 -3.865 -4.790 6.641 1.00 1.15 H new ATOM 235 N PRO A 51 -4.056 -10.907 7.202 1.00 0.49 N ATOM 236 CA PRO A 51 -3.458 -11.462 8.427 1.00 0.58 C ATOM 237 C PRO A 51 -1.998 -11.872 8.245 1.00 0.46 C ATOM 238 O PRO A 51 -1.159 -11.643 9.120 1.00 0.47 O ATOM 239 CB PRO A 51 -4.323 -12.698 8.732 1.00 0.69 C ATOM 240 CG PRO A 51 -5.233 -12.861 7.560 1.00 0.75 C ATOM 241 CD PRO A 51 -5.379 -11.498 6.958 1.00 0.55 C ATOM 0 HA PRO A 51 -3.445 -10.723 9.228 1.00 0.58 H new ATOM 0 HB2 PRO A 51 -3.703 -13.584 8.871 1.00 0.69 H new ATOM 0 HB3 PRO A 51 -4.892 -12.559 9.652 1.00 0.69 H new ATOM 0 HG2 PRO A 51 -4.817 -13.564 6.838 1.00 0.75 H new ATOM 0 HG3 PRO A 51 -6.200 -13.257 7.869 1.00 0.75 H new ATOM 0 HD2 PRO A 51 -5.614 -11.546 5.895 1.00 0.55 H new ATOM 0 HD3 PRO A 51 -6.175 -10.926 7.435 1.00 0.55 H new ATOM 249 N THR A 52 -1.698 -12.449 7.097 1.00 0.38 N ATOM 250 CA THR A 52 -0.353 -12.900 6.792 1.00 0.36 C ATOM 251 C THR A 52 0.579 -11.706 6.583 1.00 0.26 C ATOM 252 O THR A 52 1.705 -11.682 7.092 1.00 0.28 O ATOM 253 CB THR A 52 -0.361 -13.781 5.533 1.00 0.42 C ATOM 254 OG1 THR A 52 -1.386 -14.777 5.658 1.00 0.68 O ATOM 255 CG2 THR A 52 0.987 -14.453 5.319 1.00 0.66 C ATOM 0 H THR A 52 -2.375 -12.618 6.353 1.00 0.38 H new ATOM 0 HA THR A 52 0.012 -13.486 7.635 1.00 0.36 H new ATOM 0 HB THR A 52 -0.560 -13.147 4.669 1.00 0.42 H new ATOM 0 HG1 THR A 52 -1.395 -15.340 4.856 1.00 0.68 H new ATOM 0 HG21 THR A 52 0.948 -15.069 4.421 1.00 0.66 H new ATOM 0 HG22 THR A 52 1.759 -13.692 5.204 1.00 0.66 H new ATOM 0 HG23 THR A 52 1.221 -15.080 6.179 1.00 0.66 H new ATOM 263 N TYR A 53 0.093 -10.697 5.864 1.00 0.22 N ATOM 264 CA TYR A 53 0.891 -9.506 5.611 1.00 0.23 C ATOM 265 C TYR A 53 1.026 -8.686 6.880 1.00 0.23 C ATOM 266 O TYR A 53 1.967 -7.916 7.027 1.00 0.24 O ATOM 267 CB TYR A 53 0.270 -8.636 4.517 1.00 0.33 C ATOM 268 CG TYR A 53 0.206 -9.294 3.158 1.00 0.39 C ATOM 269 CD1 TYR A 53 0.973 -10.413 2.862 1.00 0.41 C ATOM 270 CD2 TYR A 53 -0.624 -8.787 2.167 1.00 0.53 C ATOM 271 CE1 TYR A 53 0.916 -11.007 1.618 1.00 0.49 C ATOM 272 CE2 TYR A 53 -0.687 -9.376 0.923 1.00 0.62 C ATOM 273 CZ TYR A 53 0.083 -10.485 0.654 1.00 0.57 C ATOM 274 OH TYR A 53 0.029 -11.064 -0.592 1.00 0.69 O ATOM 0 H TYR A 53 -0.840 -10.682 5.451 1.00 0.22 H new ATOM 0 HA TYR A 53 1.874 -9.837 5.276 1.00 0.23 H new ATOM 0 HB2 TYR A 53 -0.739 -8.357 4.820 1.00 0.33 H new ATOM 0 HB3 TYR A 53 0.844 -7.713 4.434 1.00 0.33 H new ATOM 0 HD1 TYR A 53 1.625 -10.825 3.618 1.00 0.41 H new ATOM 0 HD2 TYR A 53 -1.230 -7.917 2.375 1.00 0.53 H new ATOM 0 HE1 TYR A 53 1.521 -11.875 1.402 1.00 0.49 H new ATOM 0 HE2 TYR A 53 -1.337 -8.970 0.163 1.00 0.62 H new ATOM 0 HH TYR A 53 0.404 -10.448 -1.256 1.00 0.69 H new ATOM 284 N ASP A 54 0.093 -8.879 7.804 1.00 0.28 N ATOM 285 CA ASP A 54 0.143 -8.210 9.096 1.00 0.35 C ATOM 286 C ASP A 54 1.239 -8.825 9.952 1.00 0.33 C ATOM 287 O ASP A 54 1.921 -8.130 10.703 1.00 0.35 O ATOM 288 CB ASP A 54 -1.204 -8.304 9.829 1.00 0.51 C ATOM 289 CG ASP A 54 -2.313 -7.513 9.158 1.00 1.35 C ATOM 290 OD1 ASP A 54 -2.004 -6.504 8.488 1.00 1.83 O ATOM 291 OD2 ASP A 54 -3.493 -7.904 9.269 1.00 2.18 O ATOM 0 H ASP A 54 -0.710 -9.496 7.681 1.00 0.28 H new ATOM 0 HA ASP A 54 0.360 -7.156 8.922 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -1.502 -9.351 9.893 1.00 0.51 H new ATOM 0 HB3 ASP A 54 -1.079 -7.945 10.851 1.00 0.51 H new ATOM 296 N GLU A 55 1.410 -10.136 9.826 1.00 0.35 N ATOM 297 CA GLU A 55 2.471 -10.840 10.533 1.00 0.43 C ATOM 298 C GLU A 55 3.836 -10.398 10.022 1.00 0.38 C ATOM 299 O GLU A 55 4.768 -10.188 10.800 1.00 0.46 O ATOM 300 CB GLU A 55 2.302 -12.351 10.384 1.00 0.54 C ATOM 301 CG GLU A 55 1.024 -12.867 11.017 1.00 1.31 C ATOM 302 CD GLU A 55 0.852 -14.360 10.875 1.00 1.54 C ATOM 303 OE1 GLU A 55 1.630 -15.108 11.502 1.00 2.33 O ATOM 304 OE2 GLU A 55 -0.084 -14.795 10.163 1.00 1.65 O ATOM 0 H GLU A 55 0.826 -10.733 9.240 1.00 0.35 H new ATOM 0 HA GLU A 55 2.405 -10.591 11.592 1.00 0.43 H new ATOM 0 HB2 GLU A 55 2.307 -12.609 9.325 1.00 0.54 H new ATOM 0 HB3 GLU A 55 3.156 -12.854 10.839 1.00 0.54 H new ATOM 0 HG2 GLU A 55 1.019 -12.606 12.075 1.00 1.31 H new ATOM 0 HG3 GLU A 55 0.171 -12.364 10.561 1.00 1.31 H new ATOM 311 N ILE A 56 3.936 -10.231 8.713 1.00 0.32 N ATOM 312 CA ILE A 56 5.156 -9.724 8.100 1.00 0.35 C ATOM 313 C ILE A 56 5.349 -8.251 8.462 1.00 0.32 C ATOM 314 O ILE A 56 6.464 -7.789 8.716 1.00 0.45 O ATOM 315 CB ILE A 56 5.101 -9.887 6.571 1.00 0.39 C ATOM 316 CG1 ILE A 56 4.826 -11.352 6.223 1.00 0.45 C ATOM 317 CG2 ILE A 56 6.401 -9.417 5.924 1.00 0.45 C ATOM 318 CD1 ILE A 56 4.348 -11.555 4.808 1.00 0.64 C ATOM 0 H ILE A 56 3.187 -10.439 8.053 1.00 0.32 H new ATOM 0 HA ILE A 56 6.000 -10.299 8.480 1.00 0.35 H new ATOM 0 HB ILE A 56 4.294 -9.267 6.180 1.00 0.39 H new ATOM 0 HG12 ILE A 56 5.737 -11.931 6.377 1.00 0.45 H new ATOM 0 HG13 ILE A 56 4.078 -11.746 6.911 1.00 0.45 H new ATOM 0 HG21 ILE A 56 6.336 -9.543 4.843 1.00 0.45 H new ATOM 0 HG22 ILE A 56 6.564 -8.365 6.158 1.00 0.45 H new ATOM 0 HG23 ILE A 56 7.233 -10.007 6.309 1.00 0.45 H new ATOM 0 HD11 ILE A 56 4.173 -12.616 4.632 1.00 0.64 H new ATOM 0 HD12 ILE A 56 3.420 -11.004 4.655 1.00 0.64 H new ATOM 0 HD13 ILE A 56 5.105 -11.192 4.113 1.00 0.64 H new ATOM 330 N PHE A 57 4.237 -7.533 8.513 1.00 0.20 N ATOM 331 CA PHE A 57 4.216 -6.129 8.903 1.00 0.19 C ATOM 332 C PHE A 57 4.765 -5.946 10.317 1.00 0.16 C ATOM 333 O PHE A 57 5.470 -4.973 10.600 1.00 0.15 O ATOM 334 CB PHE A 57 2.776 -5.611 8.810 1.00 0.21 C ATOM 335 CG PHE A 57 2.563 -4.219 9.323 1.00 0.21 C ATOM 336 CD1 PHE A 57 3.017 -3.130 8.601 1.00 0.26 C ATOM 337 CD2 PHE A 57 1.926 -4.001 10.533 1.00 0.22 C ATOM 338 CE1 PHE A 57 2.842 -1.849 9.073 1.00 0.29 C ATOM 339 CE2 PHE A 57 1.746 -2.720 11.010 1.00 0.25 C ATOM 340 CZ PHE A 57 2.133 -1.651 10.265 1.00 0.27 C ATOM 0 H PHE A 57 3.317 -7.910 8.284 1.00 0.20 H new ATOM 0 HA PHE A 57 4.854 -5.558 8.229 1.00 0.19 H new ATOM 0 HB2 PHE A 57 2.460 -5.649 7.767 1.00 0.21 H new ATOM 0 HB3 PHE A 57 2.127 -6.289 9.365 1.00 0.21 H new ATOM 0 HD1 PHE A 57 3.515 -3.287 7.655 1.00 0.26 H new ATOM 0 HD2 PHE A 57 1.567 -4.842 11.108 1.00 0.22 H new ATOM 0 HE1 PHE A 57 3.246 -1.007 8.531 1.00 0.29 H new ATOM 0 HE2 PHE A 57 1.296 -2.565 11.979 1.00 0.25 H new ATOM 0 HZ PHE A 57 1.894 -0.650 10.592 1.00 0.27 H new ATOM 350 N TYR A 58 4.468 -6.898 11.196 1.00 0.19 N ATOM 351 CA TYR A 58 4.912 -6.820 12.585 1.00 0.22 C ATOM 352 C TYR A 58 6.400 -7.120 12.701 1.00 0.26 C ATOM 353 O TYR A 58 7.055 -6.686 13.646 1.00 0.39 O ATOM 354 CB TYR A 58 4.123 -7.789 13.472 1.00 0.26 C ATOM 355 CG TYR A 58 2.685 -7.379 13.730 1.00 0.40 C ATOM 356 CD1 TYR A 58 2.189 -6.180 13.228 1.00 1.07 C ATOM 357 CD2 TYR A 58 1.821 -8.186 14.462 1.00 1.04 C ATOM 358 CE1 TYR A 58 0.879 -5.800 13.451 1.00 1.17 C ATOM 359 CE2 TYR A 58 0.511 -7.810 14.692 1.00 1.17 C ATOM 360 CZ TYR A 58 0.047 -6.638 14.223 1.00 0.83 C ATOM 361 OH TYR A 58 -1.259 -6.246 14.406 1.00 1.05 O ATOM 0 H TYR A 58 3.923 -7.731 10.973 1.00 0.19 H new ATOM 0 HA TYR A 58 4.729 -5.801 12.927 1.00 0.22 H new ATOM 0 HB2 TYR A 58 4.128 -8.774 13.006 1.00 0.26 H new ATOM 0 HB3 TYR A 58 4.637 -7.886 14.428 1.00 0.26 H new ATOM 0 HD1 TYR A 58 2.839 -5.535 12.654 1.00 1.07 H new ATOM 0 HD2 TYR A 58 2.180 -9.124 14.858 1.00 1.04 H new ATOM 0 HE1 TYR A 58 0.498 -4.876 13.041 1.00 1.17 H new ATOM 0 HE2 TYR A 58 -0.144 -8.461 15.252 1.00 1.17 H new ATOM 0 HH TYR A 58 -1.726 -6.910 14.955 1.00 1.05 H new ATOM 371 N THR A 59 6.939 -7.838 11.727 1.00 0.25 N ATOM 372 CA THR A 59 8.348 -8.195 11.752 1.00 0.29 C ATOM 373 C THR A 59 9.203 -7.135 11.061 1.00 0.29 C ATOM 374 O THR A 59 10.409 -7.311 10.882 1.00 0.36 O ATOM 375 CB THR A 59 8.588 -9.584 11.122 1.00 0.35 C ATOM 376 OG1 THR A 59 7.911 -9.698 9.865 1.00 0.44 O ATOM 377 CG2 THR A 59 8.106 -10.685 12.057 1.00 0.38 C ATOM 0 H THR A 59 6.426 -8.182 10.915 1.00 0.25 H new ATOM 0 HA THR A 59 8.651 -8.243 12.798 1.00 0.29 H new ATOM 0 HB THR A 59 9.660 -9.694 10.958 1.00 0.35 H new ATOM 0 HG1 THR A 59 7.711 -8.803 9.519 1.00 0.44 H new ATOM 0 HG21 THR A 59 8.283 -11.657 11.596 1.00 0.38 H new ATOM 0 HG22 THR A 59 8.650 -10.626 13.000 1.00 0.38 H new ATOM 0 HG23 THR A 59 7.039 -10.562 12.245 1.00 0.38 H new ATOM 385 N LEU A 60 8.572 -6.027 10.687 1.00 0.26 N ATOM 386 CA LEU A 60 9.287 -4.884 10.136 1.00 0.27 C ATOM 387 C LEU A 60 9.371 -3.769 11.169 1.00 0.30 C ATOM 388 O LEU A 60 9.843 -2.672 10.875 1.00 0.38 O ATOM 389 CB LEU A 60 8.607 -4.379 8.860 1.00 0.29 C ATOM 390 CG LEU A 60 8.766 -5.284 7.637 1.00 0.31 C ATOM 391 CD1 LEU A 60 8.039 -4.698 6.443 1.00 1.37 C ATOM 392 CD2 LEU A 60 10.237 -5.483 7.316 1.00 1.22 C ATOM 0 H LEU A 60 7.563 -5.897 10.756 1.00 0.26 H new ATOM 0 HA LEU A 60 10.297 -5.203 9.879 1.00 0.27 H new ATOM 0 HB2 LEU A 60 7.544 -4.249 9.061 1.00 0.29 H new ATOM 0 HB3 LEU A 60 9.008 -3.395 8.619 1.00 0.29 H new ATOM 0 HG LEU A 60 8.325 -6.254 7.866 1.00 0.31 H new ATOM 0 HD11 LEU A 60 8.163 -5.356 5.583 1.00 1.37 H new ATOM 0 HD12 LEU A 60 6.978 -4.600 6.675 1.00 1.37 H new ATOM 0 HD13 LEU A 60 8.452 -3.716 6.212 1.00 1.37 H new ATOM 0 HD21 LEU A 60 10.335 -6.129 6.444 1.00 1.22 H new ATOM 0 HD22 LEU A 60 10.697 -4.518 7.106 1.00 1.22 H new ATOM 0 HD23 LEU A 60 10.736 -5.945 8.168 1.00 1.22 H new ATOM 404 N SER A 61 8.903 -4.078 12.380 1.00 0.27 N ATOM 405 CA SER A 61 8.930 -3.143 13.506 1.00 0.30 C ATOM 406 C SER A 61 8.006 -1.945 13.264 1.00 0.28 C ATOM 407 O SER A 61 8.437 -0.885 12.813 1.00 0.36 O ATOM 408 CB SER A 61 10.365 -2.681 13.778 1.00 0.41 C ATOM 409 OG SER A 61 11.235 -3.793 13.947 1.00 1.24 O ATOM 0 H SER A 61 8.494 -4.984 12.608 1.00 0.27 H new ATOM 0 HA SER A 61 8.559 -3.666 14.388 1.00 0.30 H new ATOM 0 HB2 SER A 61 10.715 -2.063 12.951 1.00 0.41 H new ATOM 0 HB3 SER A 61 10.387 -2.058 14.672 1.00 0.41 H new ATOM 0 HG SER A 61 12.145 -3.473 14.118 1.00 1.24 H new ATOM 415 N PRO A 62 6.706 -2.117 13.543 1.00 0.24 N ATOM 416 CA PRO A 62 5.704 -1.084 13.343 1.00 0.29 C ATOM 417 C PRO A 62 5.447 -0.246 14.594 1.00 0.32 C ATOM 418 O PRO A 62 5.369 -0.768 15.708 1.00 0.47 O ATOM 419 CB PRO A 62 4.457 -1.898 12.981 1.00 0.35 C ATOM 420 CG PRO A 62 4.678 -3.276 13.540 1.00 0.33 C ATOM 421 CD PRO A 62 6.097 -3.345 14.054 1.00 0.23 C ATOM 0 HA PRO A 62 6.010 -0.358 12.589 1.00 0.29 H new ATOM 0 HB2 PRO A 62 3.560 -1.445 13.405 1.00 0.35 H new ATOM 0 HB3 PRO A 62 4.316 -1.934 11.901 1.00 0.35 H new ATOM 0 HG2 PRO A 62 3.970 -3.480 14.344 1.00 0.33 H new ATOM 0 HG3 PRO A 62 4.513 -4.031 12.771 1.00 0.33 H new ATOM 0 HD2 PRO A 62 6.128 -3.385 15.143 1.00 0.23 H new ATOM 0 HD3 PRO A 62 6.614 -4.232 13.687 1.00 0.23 H new ATOM 429 N VAL A 63 5.309 1.058 14.399 1.00 0.29 N ATOM 430 CA VAL A 63 4.951 1.966 15.479 1.00 0.36 C ATOM 431 C VAL A 63 3.632 2.662 15.146 1.00 0.37 C ATOM 432 O VAL A 63 3.432 3.106 14.019 1.00 0.38 O ATOM 433 CB VAL A 63 6.054 3.023 15.745 1.00 0.47 C ATOM 434 CG1 VAL A 63 7.302 2.363 16.316 1.00 1.02 C ATOM 435 CG2 VAL A 63 6.392 3.802 14.477 1.00 1.02 C ATOM 0 H VAL A 63 5.441 1.513 13.496 1.00 0.29 H new ATOM 0 HA VAL A 63 4.843 1.374 16.388 1.00 0.36 H new ATOM 0 HB VAL A 63 5.668 3.730 16.479 1.00 0.47 H new ATOM 0 HG11 VAL A 63 8.064 3.121 16.496 1.00 1.02 H new ATOM 0 HG12 VAL A 63 7.054 1.867 17.255 1.00 1.02 H new ATOM 0 HG13 VAL A 63 7.682 1.628 15.607 1.00 1.02 H new ATOM 0 HG21 VAL A 63 7.168 4.535 14.696 1.00 1.02 H new ATOM 0 HG22 VAL A 63 6.749 3.113 13.711 1.00 1.02 H new ATOM 0 HG23 VAL A 63 5.500 4.315 14.116 1.00 1.02 H new ATOM 445 N ASN A 64 2.722 2.720 16.116 1.00 0.44 N ATOM 446 CA ASN A 64 1.393 3.301 15.900 1.00 0.52 C ATOM 447 C ASN A 64 0.645 2.560 14.791 1.00 0.44 C ATOM 448 O ASN A 64 -0.179 3.143 14.080 1.00 0.50 O ATOM 449 CB ASN A 64 1.496 4.799 15.570 1.00 0.64 C ATOM 450 CG ASN A 64 1.777 5.646 16.794 1.00 0.84 C ATOM 451 OD1 ASN A 64 1.382 5.299 17.907 1.00 1.34 O ATOM 452 ND2 ASN A 64 2.447 6.771 16.597 1.00 1.31 N ATOM 0 H ASN A 64 2.878 2.372 17.062 1.00 0.44 H new ATOM 0 HA ASN A 64 0.828 3.192 16.826 1.00 0.52 H new ATOM 0 HB2 ASN A 64 2.288 4.952 14.837 1.00 0.64 H new ATOM 0 HB3 ASN A 64 0.566 5.131 15.109 1.00 0.64 H new ATOM 0 HD21 ASN A 64 2.653 7.386 17.384 1.00 1.31 H new ATOM 0 HD22 ASN A 64 2.757 7.022 15.658 1.00 1.31 H new ATOM 459 N GLY A 65 0.932 1.266 14.658 1.00 0.40 N ATOM 460 CA GLY A 65 0.263 0.446 13.662 1.00 0.43 C ATOM 461 C GLY A 65 0.676 0.796 12.247 1.00 0.33 C ATOM 462 O GLY A 65 -0.077 0.577 11.300 1.00 0.35 O ATOM 0 H GLY A 65 1.619 0.770 15.225 1.00 0.40 H new ATOM 0 HA2 GLY A 65 0.485 -0.604 13.852 1.00 0.43 H new ATOM 0 HA3 GLY A 65 -0.816 0.567 13.762 1.00 0.43 H new ATOM 466 N LYS A 66 1.874 1.350 12.106 1.00 0.28 N ATOM 467 CA LYS A 66 2.396 1.725 10.800 1.00 0.26 C ATOM 468 C LYS A 66 3.921 1.682 10.776 1.00 0.23 C ATOM 469 O LYS A 66 4.579 1.958 11.777 1.00 0.27 O ATOM 470 CB LYS A 66 1.892 3.118 10.406 1.00 0.34 C ATOM 471 CG LYS A 66 1.830 4.114 11.559 1.00 0.64 C ATOM 472 CD LYS A 66 1.203 5.439 11.133 1.00 0.75 C ATOM 473 CE LYS A 66 -0.213 5.263 10.592 1.00 1.05 C ATOM 474 NZ LYS A 66 -1.114 4.595 11.572 1.00 1.48 N ATOM 0 H LYS A 66 2.503 1.550 12.884 1.00 0.28 H new ATOM 0 HA LYS A 66 2.032 0.999 10.073 1.00 0.26 H new ATOM 0 HB2 LYS A 66 2.542 3.520 9.629 1.00 0.34 H new ATOM 0 HB3 LYS A 66 0.897 3.022 9.971 1.00 0.34 H new ATOM 0 HG2 LYS A 66 1.252 3.686 12.378 1.00 0.64 H new ATOM 0 HG3 LYS A 66 2.836 4.294 11.938 1.00 0.64 H new ATOM 0 HD2 LYS A 66 1.182 6.119 11.985 1.00 0.75 H new ATOM 0 HD3 LYS A 66 1.826 5.904 10.369 1.00 0.75 H new ATOM 0 HE2 LYS A 66 -0.623 6.238 10.331 1.00 1.05 H new ATOM 0 HE3 LYS A 66 -0.179 4.676 9.675 1.00 1.05 H new ATOM 0 HZ1 LYS A 66 -1.997 5.137 11.657 1.00 1.48 H new ATOM 0 HZ2 LYS A 66 -1.329 3.632 11.245 1.00 1.48 H new ATOM 0 HZ3 LYS A 66 -0.645 4.549 12.499 1.00 1.48 H new ATOM 488 N ILE A 67 4.474 1.311 9.634 1.00 0.25 N ATOM 489 CA ILE A 67 5.914 1.292 9.456 1.00 0.27 C ATOM 490 C ILE A 67 6.334 2.432 8.544 1.00 0.26 C ATOM 491 O ILE A 67 5.626 2.773 7.592 1.00 0.29 O ATOM 492 CB ILE A 67 6.416 -0.041 8.858 1.00 0.30 C ATOM 493 CG1 ILE A 67 5.699 -0.343 7.539 1.00 0.28 C ATOM 494 CG2 ILE A 67 6.224 -1.179 9.850 1.00 0.33 C ATOM 495 CD1 ILE A 67 6.224 -1.568 6.828 1.00 0.64 C ATOM 0 H ILE A 67 3.944 1.018 8.813 1.00 0.25 H new ATOM 0 HA ILE A 67 6.361 1.405 10.444 1.00 0.27 H new ATOM 0 HB ILE A 67 7.482 0.054 8.652 1.00 0.30 H new ATOM 0 HG12 ILE A 67 4.635 -0.477 7.736 1.00 0.28 H new ATOM 0 HG13 ILE A 67 5.795 0.519 6.878 1.00 0.28 H new ATOM 0 HG21 ILE A 67 6.584 -2.109 9.410 1.00 0.33 H new ATOM 0 HG22 ILE A 67 6.785 -0.967 10.760 1.00 0.33 H new ATOM 0 HG23 ILE A 67 5.165 -1.277 10.091 1.00 0.33 H new ATOM 0 HD11 ILE A 67 5.668 -1.718 5.903 1.00 0.64 H new ATOM 0 HD12 ILE A 67 7.281 -1.430 6.598 1.00 0.64 H new ATOM 0 HD13 ILE A 67 6.103 -2.441 7.470 1.00 0.64 H new ATOM 507 N THR A 68 7.471 3.032 8.841 1.00 0.32 N ATOM 508 CA THR A 68 7.994 4.097 8.012 1.00 0.36 C ATOM 509 C THR A 68 8.344 3.569 6.623 1.00 0.33 C ATOM 510 O THR A 68 8.516 2.357 6.437 1.00 0.33 O ATOM 511 CB THR A 68 9.236 4.732 8.657 1.00 0.45 C ATOM 512 OG1 THR A 68 10.157 3.707 9.046 1.00 0.55 O ATOM 513 CG2 THR A 68 8.847 5.567 9.869 1.00 0.50 C ATOM 0 H THR A 68 8.048 2.799 9.649 1.00 0.32 H new ATOM 0 HA THR A 68 7.222 4.860 7.918 1.00 0.36 H new ATOM 0 HB THR A 68 9.710 5.387 7.926 1.00 0.45 H new ATOM 0 HG1 THR A 68 10.948 4.116 9.455 1.00 0.55 H new ATOM 0 HG21 THR A 68 9.741 6.007 10.310 1.00 0.50 H new ATOM 0 HG22 THR A 68 8.166 6.361 9.561 1.00 0.50 H new ATOM 0 HG23 THR A 68 8.354 4.932 10.605 1.00 0.50 H new ATOM 521 N GLY A 69 8.468 4.473 5.654 1.00 0.37 N ATOM 522 CA GLY A 69 8.769 4.068 4.297 1.00 0.41 C ATOM 523 C GLY A 69 10.109 3.378 4.190 1.00 0.35 C ATOM 524 O GLY A 69 10.409 2.753 3.182 1.00 0.37 O ATOM 0 H GLY A 69 8.365 5.479 5.788 1.00 0.37 H new ATOM 0 HA2 GLY A 69 7.988 3.398 3.938 1.00 0.41 H new ATOM 0 HA3 GLY A 69 8.761 4.944 3.648 1.00 0.41 H new ATOM 528 N ALA A 70 10.901 3.471 5.249 1.00 0.33 N ATOM 529 CA ALA A 70 12.215 2.844 5.280 1.00 0.33 C ATOM 530 C ALA A 70 12.085 1.324 5.299 1.00 0.31 C ATOM 531 O ALA A 70 12.697 0.618 4.494 1.00 0.34 O ATOM 532 CB ALA A 70 12.999 3.324 6.490 1.00 0.38 C ATOM 0 H ALA A 70 10.656 3.976 6.100 1.00 0.33 H new ATOM 0 HA ALA A 70 12.755 3.130 4.378 1.00 0.33 H new ATOM 0 HB1 ALA A 70 13.979 2.847 6.501 1.00 0.38 H new ATOM 0 HB2 ALA A 70 13.122 4.406 6.438 1.00 0.38 H new ATOM 0 HB3 ALA A 70 12.459 3.064 7.400 1.00 0.38 H new ATOM 538 N ASN A 71 11.257 0.833 6.207 1.00 0.33 N ATOM 539 CA ASN A 71 11.067 -0.602 6.376 1.00 0.36 C ATOM 540 C ASN A 71 10.259 -1.167 5.220 1.00 0.32 C ATOM 541 O ASN A 71 10.545 -2.260 4.722 1.00 0.32 O ATOM 542 CB ASN A 71 10.375 -0.893 7.710 1.00 0.46 C ATOM 543 CG ASN A 71 11.146 -0.315 8.879 1.00 0.76 C ATOM 544 OD1 ASN A 71 12.048 -0.950 9.415 1.00 1.81 O ATOM 545 ND2 ASN A 71 10.801 0.900 9.277 1.00 0.61 N ATOM 0 H ASN A 71 10.703 1.408 6.841 1.00 0.33 H new ATOM 0 HA ASN A 71 12.044 -1.086 6.382 1.00 0.36 H new ATOM 0 HB2 ASN A 71 9.368 -0.476 7.696 1.00 0.46 H new ATOM 0 HB3 ASN A 71 10.272 -1.970 7.839 1.00 0.46 H new ATOM 0 HD21 ASN A 71 11.291 1.340 10.056 1.00 0.61 H new ATOM 0 HD22 ASN A 71 10.045 1.396 8.805 1.00 0.61 H new ATOM 552 N ALA A 72 9.266 -0.403 4.785 1.00 0.32 N ATOM 553 CA ALA A 72 8.452 -0.784 3.640 1.00 0.33 C ATOM 554 C ALA A 72 9.320 -0.884 2.390 1.00 0.30 C ATOM 555 O ALA A 72 9.175 -1.813 1.595 1.00 0.32 O ATOM 556 CB ALA A 72 7.322 0.214 3.430 1.00 0.39 C ATOM 0 H ALA A 72 9.005 0.487 5.210 1.00 0.32 H new ATOM 0 HA ALA A 72 8.009 -1.761 3.836 1.00 0.33 H new ATOM 0 HB1 ALA A 72 6.725 -0.088 2.570 1.00 0.39 H new ATOM 0 HB2 ALA A 72 6.691 0.241 4.318 1.00 0.39 H new ATOM 0 HB3 ALA A 72 7.740 1.205 3.252 1.00 0.39 H new ATOM 562 N LYS A 73 10.234 0.074 2.236 1.00 0.29 N ATOM 563 CA LYS A 73 11.179 0.062 1.125 1.00 0.30 C ATOM 564 C LYS A 73 12.013 -1.207 1.159 1.00 0.26 C ATOM 565 O LYS A 73 12.231 -1.837 0.126 1.00 0.27 O ATOM 566 CB LYS A 73 12.096 1.290 1.172 1.00 0.36 C ATOM 567 CG LYS A 73 13.139 1.325 0.062 1.00 0.47 C ATOM 568 CD LYS A 73 13.961 2.599 0.109 1.00 0.67 C ATOM 569 CE LYS A 73 14.914 2.689 -1.076 1.00 0.84 C ATOM 570 NZ LYS A 73 15.610 4.000 -1.142 1.00 0.76 N ATOM 0 H LYS A 73 10.338 0.868 2.868 1.00 0.29 H new ATOM 0 HA LYS A 73 10.610 0.092 0.196 1.00 0.30 H new ATOM 0 HB2 LYS A 73 11.485 2.190 1.111 1.00 0.36 H new ATOM 0 HB3 LYS A 73 12.605 1.315 2.136 1.00 0.36 H new ATOM 0 HG2 LYS A 73 13.799 0.462 0.154 1.00 0.47 H new ATOM 0 HG3 LYS A 73 12.644 1.246 -0.906 1.00 0.47 H new ATOM 0 HD2 LYS A 73 13.296 3.463 0.110 1.00 0.67 H new ATOM 0 HD3 LYS A 73 14.529 2.633 1.038 1.00 0.67 H new ATOM 0 HE2 LYS A 73 15.653 1.891 -1.006 1.00 0.84 H new ATOM 0 HE3 LYS A 73 14.358 2.529 -2.000 1.00 0.84 H new ATOM 0 HZ1 LYS A 73 16.221 4.026 -1.983 1.00 0.76 H new ATOM 0 HZ2 LYS A 73 14.907 4.764 -1.201 1.00 0.76 H new ATOM 0 HZ3 LYS A 73 16.190 4.129 -0.288 1.00 0.76 H new ATOM 584 N LYS A 74 12.464 -1.585 2.353 1.00 0.26 N ATOM 585 CA LYS A 74 13.259 -2.796 2.516 1.00 0.29 C ATOM 586 C LYS A 74 12.498 -4.024 2.020 1.00 0.29 C ATOM 587 O LYS A 74 13.074 -4.881 1.346 1.00 0.35 O ATOM 588 CB LYS A 74 13.685 -2.989 3.976 1.00 0.34 C ATOM 589 CG LYS A 74 14.621 -1.904 4.478 1.00 1.03 C ATOM 590 CD LYS A 74 15.187 -2.209 5.860 1.00 1.05 C ATOM 591 CE LYS A 74 14.103 -2.369 6.920 1.00 1.63 C ATOM 592 NZ LYS A 74 13.636 -3.777 7.042 1.00 1.95 N ATOM 0 H LYS A 74 12.293 -1.071 3.217 1.00 0.26 H new ATOM 0 HA LYS A 74 14.158 -2.680 1.911 1.00 0.29 H new ATOM 0 HB2 LYS A 74 12.796 -3.012 4.606 1.00 0.34 H new ATOM 0 HB3 LYS A 74 14.174 -3.957 4.079 1.00 0.34 H new ATOM 0 HG2 LYS A 74 15.443 -1.783 3.772 1.00 1.03 H new ATOM 0 HG3 LYS A 74 14.086 -0.955 4.510 1.00 1.03 H new ATOM 0 HD2 LYS A 74 15.779 -3.123 5.812 1.00 1.05 H new ATOM 0 HD3 LYS A 74 15.863 -1.407 6.156 1.00 1.05 H new ATOM 0 HE2 LYS A 74 14.487 -2.031 7.883 1.00 1.63 H new ATOM 0 HE3 LYS A 74 13.257 -1.728 6.671 1.00 1.63 H new ATOM 0 HZ1 LYS A 74 12.679 -3.861 6.643 1.00 1.95 H new ATOM 0 HZ2 LYS A 74 14.284 -4.404 6.523 1.00 1.95 H new ATOM 0 HZ3 LYS A 74 13.618 -4.051 8.045 1.00 1.95 H new ATOM 606 N GLU A 75 11.208 -4.100 2.334 1.00 0.31 N ATOM 607 CA GLU A 75 10.385 -5.226 1.892 1.00 0.35 C ATOM 608 C GLU A 75 10.223 -5.214 0.373 1.00 0.32 C ATOM 609 O GLU A 75 10.369 -6.241 -0.300 1.00 0.35 O ATOM 610 CB GLU A 75 9.002 -5.172 2.543 1.00 0.41 C ATOM 611 CG GLU A 75 8.151 -6.396 2.246 1.00 0.59 C ATOM 612 CD GLU A 75 8.703 -7.645 2.908 1.00 0.93 C ATOM 613 OE1 GLU A 75 8.768 -7.683 4.156 1.00 1.09 O ATOM 614 OE2 GLU A 75 9.048 -8.604 2.184 1.00 1.60 O ATOM 0 H GLU A 75 10.711 -3.402 2.888 1.00 0.31 H new ATOM 0 HA GLU A 75 10.890 -6.144 2.193 1.00 0.35 H new ATOM 0 HB2 GLU A 75 9.119 -5.072 3.622 1.00 0.41 H new ATOM 0 HB3 GLU A 75 8.479 -4.281 2.196 1.00 0.41 H new ATOM 0 HG2 GLU A 75 7.132 -6.222 2.592 1.00 0.59 H new ATOM 0 HG3 GLU A 75 8.100 -6.549 1.168 1.00 0.59 H new ATOM 621 N MET A 76 9.945 -4.038 -0.167 1.00 0.29 N ATOM 622 CA MET A 76 9.648 -3.906 -1.583 1.00 0.30 C ATOM 623 C MET A 76 10.900 -4.068 -2.439 1.00 0.30 C ATOM 624 O MET A 76 10.808 -4.404 -3.622 1.00 0.38 O ATOM 625 CB MET A 76 8.947 -2.577 -1.861 1.00 0.39 C ATOM 626 CG MET A 76 7.581 -2.480 -1.198 1.00 0.56 C ATOM 627 SD MET A 76 6.700 -0.960 -1.598 1.00 1.04 S ATOM 628 CE MET A 76 6.532 -1.120 -3.374 1.00 1.24 C ATOM 0 H MET A 76 9.919 -3.162 0.354 1.00 0.29 H new ATOM 0 HA MET A 76 8.969 -4.712 -1.860 1.00 0.30 H new ATOM 0 HB2 MET A 76 9.576 -1.759 -1.508 1.00 0.39 H new ATOM 0 HB3 MET A 76 8.833 -2.450 -2.938 1.00 0.39 H new ATOM 0 HG2 MET A 76 6.976 -3.334 -1.503 1.00 0.56 H new ATOM 0 HG3 MET A 76 7.704 -2.547 -0.117 1.00 0.56 H new ATOM 0 HE1 MET A 76 5.728 -0.472 -3.723 1.00 1.24 H new ATOM 0 HE2 MET A 76 7.466 -0.831 -3.855 1.00 1.24 H new ATOM 0 HE3 MET A 76 6.299 -2.155 -3.626 1.00 1.24 H new ATOM 638 N VAL A 77 12.077 -3.853 -1.854 1.00 0.29 N ATOM 639 CA VAL A 77 13.310 -4.174 -2.546 1.00 0.35 C ATOM 640 C VAL A 77 13.680 -5.644 -2.322 1.00 0.33 C ATOM 641 O VAL A 77 14.555 -6.177 -3.003 1.00 0.37 O ATOM 642 CB VAL A 77 14.482 -3.253 -2.145 1.00 0.51 C ATOM 643 CG1 VAL A 77 14.164 -1.809 -2.492 1.00 1.57 C ATOM 644 CG2 VAL A 77 14.821 -3.382 -0.673 1.00 1.14 C ATOM 0 H VAL A 77 12.196 -3.464 -0.918 1.00 0.29 H new ATOM 0 HA VAL A 77 13.129 -4.004 -3.607 1.00 0.35 H new ATOM 0 HB VAL A 77 15.357 -3.569 -2.712 1.00 0.51 H new ATOM 0 HG11 VAL A 77 15.000 -1.173 -2.203 1.00 1.57 H new ATOM 0 HG12 VAL A 77 13.995 -1.721 -3.565 1.00 1.57 H new ATOM 0 HG13 VAL A 77 13.268 -1.495 -1.957 1.00 1.57 H new ATOM 0 HG21 VAL A 77 15.651 -2.718 -0.431 1.00 1.14 H new ATOM 0 HG22 VAL A 77 13.952 -3.110 -0.074 1.00 1.14 H new ATOM 0 HG23 VAL A 77 15.105 -4.411 -0.454 1.00 1.14 H new ATOM 654 N LYS A 78 13.004 -6.300 -1.367 1.00 0.36 N ATOM 655 CA LYS A 78 13.126 -7.755 -1.206 1.00 0.45 C ATOM 656 C LYS A 78 12.337 -8.474 -2.294 1.00 0.42 C ATOM 657 O LYS A 78 12.656 -9.606 -2.653 1.00 0.47 O ATOM 658 CB LYS A 78 12.646 -8.235 0.171 1.00 0.61 C ATOM 659 CG LYS A 78 13.497 -7.742 1.324 1.00 0.71 C ATOM 660 CD LYS A 78 14.957 -8.140 1.165 1.00 1.25 C ATOM 661 CE LYS A 78 15.829 -7.416 2.173 1.00 1.79 C ATOM 662 NZ LYS A 78 15.765 -5.944 1.988 1.00 2.79 N ATOM 0 H LYS A 78 12.374 -5.851 -0.702 1.00 0.36 H new ATOM 0 HA LYS A 78 14.186 -7.994 -1.291 1.00 0.45 H new ATOM 0 HB2 LYS A 78 11.619 -7.903 0.323 1.00 0.61 H new ATOM 0 HB3 LYS A 78 12.634 -9.325 0.181 1.00 0.61 H new ATOM 0 HG2 LYS A 78 13.422 -6.657 1.392 1.00 0.71 H new ATOM 0 HG3 LYS A 78 13.110 -8.147 2.259 1.00 0.71 H new ATOM 0 HD2 LYS A 78 15.061 -9.217 1.296 1.00 1.25 H new ATOM 0 HD3 LYS A 78 15.293 -7.908 0.154 1.00 1.25 H new ATOM 0 HE2 LYS A 78 15.509 -7.671 3.183 1.00 1.79 H new ATOM 0 HE3 LYS A 78 16.861 -7.752 2.071 1.00 1.79 H new ATOM 0 HZ1 LYS A 78 16.448 -5.484 2.624 1.00 2.79 H new ATOM 0 HZ2 LYS A 78 15.996 -5.708 1.002 1.00 2.79 H new ATOM 0 HZ3 LYS A 78 14.806 -5.608 2.209 1.00 2.79 H new ATOM 676 N SER A 79 11.296 -7.820 -2.805 1.00 0.40 N ATOM 677 CA SER A 79 10.579 -8.338 -3.963 1.00 0.43 C ATOM 678 C SER A 79 11.420 -8.168 -5.231 1.00 0.38 C ATOM 679 O SER A 79 11.098 -8.725 -6.280 1.00 0.44 O ATOM 680 CB SER A 79 9.212 -7.656 -4.102 1.00 0.54 C ATOM 681 OG SER A 79 9.172 -6.444 -3.372 1.00 1.27 O ATOM 0 H SER A 79 10.935 -6.939 -2.438 1.00 0.40 H new ATOM 0 HA SER A 79 10.403 -9.404 -3.818 1.00 0.43 H new ATOM 0 HB2 SER A 79 9.006 -7.458 -5.154 1.00 0.54 H new ATOM 0 HB3 SER A 79 8.430 -8.326 -3.745 1.00 0.54 H new ATOM 0 HG SER A 79 9.680 -5.757 -3.851 1.00 1.27 H new ATOM 687 N LYS A 80 12.500 -7.388 -5.108 1.00 0.39 N ATOM 688 CA LYS A 80 13.538 -7.285 -6.141 1.00 0.42 C ATOM 689 C LYS A 80 13.014 -6.655 -7.433 1.00 0.35 C ATOM 690 O LYS A 80 13.589 -6.842 -8.506 1.00 0.45 O ATOM 691 CB LYS A 80 14.129 -8.676 -6.411 1.00 0.54 C ATOM 692 CG LYS A 80 14.641 -9.352 -5.149 1.00 0.85 C ATOM 693 CD LYS A 80 14.816 -10.852 -5.331 1.00 1.32 C ATOM 694 CE LYS A 80 14.996 -11.541 -3.989 1.00 2.10 C ATOM 695 NZ LYS A 80 15.023 -13.020 -4.118 1.00 2.97 N ATOM 0 H LYS A 80 12.680 -6.809 -4.288 1.00 0.39 H new ATOM 0 HA LYS A 80 14.319 -6.622 -5.769 1.00 0.42 H new ATOM 0 HB2 LYS A 80 13.368 -9.306 -6.872 1.00 0.54 H new ATOM 0 HB3 LYS A 80 14.946 -8.586 -7.127 1.00 0.54 H new ATOM 0 HG2 LYS A 80 15.595 -8.909 -4.863 1.00 0.85 H new ATOM 0 HG3 LYS A 80 13.945 -9.166 -4.331 1.00 0.85 H new ATOM 0 HD2 LYS A 80 13.947 -11.265 -5.843 1.00 1.32 H new ATOM 0 HD3 LYS A 80 15.681 -11.048 -5.964 1.00 1.32 H new ATOM 0 HE2 LYS A 80 15.924 -11.201 -3.529 1.00 2.10 H new ATOM 0 HE3 LYS A 80 14.185 -11.251 -3.322 1.00 2.10 H new ATOM 0 HZ1 LYS A 80 15.147 -13.448 -3.178 1.00 2.97 H new ATOM 0 HZ2 LYS A 80 14.128 -13.349 -4.532 1.00 2.97 H new ATOM 0 HZ3 LYS A 80 15.813 -13.300 -4.734 1.00 2.97 H new ATOM 709 N LEU A 81 11.954 -5.869 -7.315 1.00 0.31 N ATOM 710 CA LEU A 81 11.361 -5.205 -8.467 1.00 0.30 C ATOM 711 C LEU A 81 12.100 -3.902 -8.783 1.00 0.30 C ATOM 712 O LEU A 81 12.831 -3.384 -7.936 1.00 0.41 O ATOM 713 CB LEU A 81 9.884 -4.917 -8.196 1.00 0.37 C ATOM 714 CG LEU A 81 9.013 -6.150 -7.945 1.00 0.42 C ATOM 715 CD1 LEU A 81 7.577 -5.740 -7.663 1.00 0.52 C ATOM 716 CD2 LEU A 81 9.066 -7.095 -9.135 1.00 0.47 C ATOM 0 H LEU A 81 11.485 -5.675 -6.430 1.00 0.31 H new ATOM 0 HA LEU A 81 11.447 -5.865 -9.330 1.00 0.30 H new ATOM 0 HB2 LEU A 81 9.812 -4.259 -7.330 1.00 0.37 H new ATOM 0 HB3 LEU A 81 9.475 -4.371 -9.046 1.00 0.37 H new ATOM 0 HG LEU A 81 9.404 -6.671 -7.071 1.00 0.42 H new ATOM 0 HD11 LEU A 81 6.972 -6.630 -7.487 1.00 0.52 H new ATOM 0 HD12 LEU A 81 7.548 -5.101 -6.780 1.00 0.52 H new ATOM 0 HD13 LEU A 81 7.179 -5.195 -8.519 1.00 0.52 H new ATOM 0 HD21 LEU A 81 8.440 -7.965 -8.937 1.00 0.47 H new ATOM 0 HD22 LEU A 81 8.701 -6.581 -10.024 1.00 0.47 H new ATOM 0 HD23 LEU A 81 10.094 -7.417 -9.298 1.00 0.47 H new ATOM 728 N PRO A 82 11.932 -3.365 -10.009 1.00 0.28 N ATOM 729 CA PRO A 82 12.545 -2.089 -10.419 1.00 0.34 C ATOM 730 C PRO A 82 12.146 -0.923 -9.516 1.00 0.33 C ATOM 731 O PRO A 82 10.991 -0.819 -9.093 1.00 0.27 O ATOM 732 CB PRO A 82 12.006 -1.871 -11.835 1.00 0.43 C ATOM 733 CG PRO A 82 11.643 -3.233 -12.314 1.00 0.44 C ATOM 734 CD PRO A 82 11.151 -3.969 -11.103 1.00 0.37 C ATOM 0 HA PRO A 82 13.633 -2.131 -10.360 1.00 0.34 H new ATOM 0 HB2 PRO A 82 11.140 -1.208 -11.832 1.00 0.43 H new ATOM 0 HB3 PRO A 82 12.757 -1.412 -12.478 1.00 0.43 H new ATOM 0 HG2 PRO A 82 10.873 -3.185 -13.084 1.00 0.44 H new ATOM 0 HG3 PRO A 82 12.504 -3.736 -12.755 1.00 0.44 H new ATOM 0 HD2 PRO A 82 10.079 -3.834 -10.956 1.00 0.37 H new ATOM 0 HD3 PRO A 82 11.329 -5.041 -11.182 1.00 0.37 H new ATOM 742 N ASN A 83 13.105 -0.033 -9.261 1.00 0.44 N ATOM 743 CA ASN A 83 12.921 1.088 -8.334 1.00 0.49 C ATOM 744 C ASN A 83 11.771 1.988 -8.763 1.00 0.42 C ATOM 745 O ASN A 83 10.952 2.402 -7.940 1.00 0.41 O ATOM 746 CB ASN A 83 14.206 1.918 -8.243 1.00 0.64 C ATOM 747 CG ASN A 83 15.396 1.110 -7.764 1.00 1.05 C ATOM 748 OD1 ASN A 83 15.668 1.034 -6.569 1.00 1.85 O ATOM 749 ND2 ASN A 83 16.121 0.504 -8.695 1.00 1.79 N ATOM 0 H ASN A 83 14.030 -0.067 -9.689 1.00 0.44 H new ATOM 0 HA ASN A 83 12.683 0.667 -7.357 1.00 0.49 H new ATOM 0 HB2 ASN A 83 14.430 2.340 -9.223 1.00 0.64 H new ATOM 0 HB3 ASN A 83 14.045 2.755 -7.564 1.00 0.64 H new ATOM 0 HD21 ASN A 83 16.936 -0.048 -8.428 1.00 1.79 H new ATOM 0 HD22 ASN A 83 15.864 0.590 -9.678 1.00 1.79 H new ATOM 756 N THR A 84 11.710 2.279 -10.055 1.00 0.43 N ATOM 757 CA THR A 84 10.675 3.141 -10.602 1.00 0.45 C ATOM 758 C THR A 84 9.292 2.520 -10.425 1.00 0.35 C ATOM 759 O THR A 84 8.343 3.187 -10.008 1.00 0.34 O ATOM 760 CB THR A 84 10.941 3.420 -12.090 1.00 0.59 C ATOM 761 OG1 THR A 84 11.417 2.224 -12.719 1.00 1.47 O ATOM 762 CG2 THR A 84 11.960 4.535 -12.264 1.00 1.27 C ATOM 0 H THR A 84 12.371 1.927 -10.747 1.00 0.43 H new ATOM 0 HA THR A 84 10.699 4.083 -10.054 1.00 0.45 H new ATOM 0 HB THR A 84 10.008 3.738 -12.556 1.00 0.59 H new ATOM 0 HG1 THR A 84 11.586 2.399 -13.668 1.00 1.47 H new ATOM 0 HG21 THR A 84 12.129 4.711 -13.326 1.00 1.27 H new ATOM 0 HG22 THR A 84 11.584 5.447 -11.800 1.00 1.27 H new ATOM 0 HG23 THR A 84 12.899 4.247 -11.790 1.00 1.27 H new ATOM 770 N VAL A 85 9.194 1.230 -10.722 1.00 0.32 N ATOM 771 CA VAL A 85 7.940 0.506 -10.576 1.00 0.32 C ATOM 772 C VAL A 85 7.524 0.461 -9.108 1.00 0.26 C ATOM 773 O VAL A 85 6.350 0.639 -8.782 1.00 0.31 O ATOM 774 CB VAL A 85 8.046 -0.930 -11.139 1.00 0.36 C ATOM 775 CG1 VAL A 85 6.720 -1.667 -11.007 1.00 0.44 C ATOM 776 CG2 VAL A 85 8.494 -0.895 -12.595 1.00 0.45 C ATOM 0 H VAL A 85 9.970 0.664 -11.066 1.00 0.32 H new ATOM 0 HA VAL A 85 7.181 1.038 -11.150 1.00 0.32 H new ATOM 0 HB VAL A 85 8.792 -1.470 -10.556 1.00 0.36 H new ATOM 0 HG11 VAL A 85 6.822 -2.674 -11.410 1.00 0.44 H new ATOM 0 HG12 VAL A 85 6.438 -1.724 -9.956 1.00 0.44 H new ATOM 0 HG13 VAL A 85 5.949 -1.131 -11.560 1.00 0.44 H new ATOM 0 HG21 VAL A 85 8.564 -1.913 -12.979 1.00 0.45 H new ATOM 0 HG22 VAL A 85 7.769 -0.334 -13.185 1.00 0.45 H new ATOM 0 HG23 VAL A 85 9.469 -0.413 -12.664 1.00 0.45 H new ATOM 786 N LEU A 86 8.499 0.251 -8.228 1.00 0.24 N ATOM 787 CA LEU A 86 8.252 0.259 -6.789 1.00 0.28 C ATOM 788 C LEU A 86 7.692 1.606 -6.344 1.00 0.24 C ATOM 789 O LEU A 86 6.815 1.668 -5.488 1.00 0.28 O ATOM 790 CB LEU A 86 9.539 -0.045 -6.016 1.00 0.37 C ATOM 791 CG LEU A 86 10.092 -1.460 -6.197 1.00 0.51 C ATOM 792 CD1 LEU A 86 11.402 -1.619 -5.440 1.00 0.90 C ATOM 793 CD2 LEU A 86 9.074 -2.493 -5.736 1.00 0.82 C ATOM 0 H LEU A 86 9.469 0.073 -8.487 1.00 0.24 H new ATOM 0 HA LEU A 86 7.518 -0.517 -6.573 1.00 0.28 H new ATOM 0 HB2 LEU A 86 10.304 0.668 -6.322 1.00 0.37 H new ATOM 0 HB3 LEU A 86 9.354 0.122 -4.955 1.00 0.37 H new ATOM 0 HG LEU A 86 10.287 -1.623 -7.257 1.00 0.51 H new ATOM 0 HD11 LEU A 86 11.782 -2.631 -5.579 1.00 0.90 H new ATOM 0 HD12 LEU A 86 12.131 -0.902 -5.819 1.00 0.90 H new ATOM 0 HD13 LEU A 86 11.233 -1.438 -4.379 1.00 0.90 H new ATOM 0 HD21 LEU A 86 9.484 -3.494 -5.872 1.00 0.82 H new ATOM 0 HD22 LEU A 86 8.846 -2.334 -4.682 1.00 0.82 H new ATOM 0 HD23 LEU A 86 8.161 -2.392 -6.324 1.00 0.82 H new ATOM 805 N GLY A 87 8.201 2.680 -6.934 1.00 0.23 N ATOM 806 CA GLY A 87 7.712 4.006 -6.607 1.00 0.26 C ATOM 807 C GLY A 87 6.281 4.220 -7.066 1.00 0.27 C ATOM 808 O GLY A 87 5.489 4.864 -6.375 1.00 0.32 O ATOM 0 H GLY A 87 8.944 2.657 -7.633 1.00 0.23 H new ATOM 0 HA2 GLY A 87 7.772 4.158 -5.529 1.00 0.26 H new ATOM 0 HA3 GLY A 87 8.356 4.753 -7.071 1.00 0.26 H new ATOM 812 N LYS A 88 5.942 3.675 -8.229 1.00 0.27 N ATOM 813 CA LYS A 88 4.564 3.724 -8.702 1.00 0.36 C ATOM 814 C LYS A 88 3.661 2.935 -7.764 1.00 0.33 C ATOM 815 O LYS A 88 2.571 3.387 -7.410 1.00 0.35 O ATOM 816 CB LYS A 88 4.428 3.193 -10.131 1.00 0.50 C ATOM 817 CG LYS A 88 4.380 4.297 -11.173 1.00 0.74 C ATOM 818 CD LYS A 88 5.750 4.899 -11.419 1.00 1.03 C ATOM 819 CE LYS A 88 6.527 4.107 -12.460 1.00 1.50 C ATOM 820 NZ LYS A 88 5.892 4.194 -13.805 1.00 1.89 N ATOM 0 H LYS A 88 6.593 3.200 -8.854 1.00 0.27 H new ATOM 0 HA LYS A 88 4.258 4.770 -8.710 1.00 0.36 H new ATOM 0 HB2 LYS A 88 5.267 2.532 -10.348 1.00 0.50 H new ATOM 0 HB3 LYS A 88 3.522 2.592 -10.205 1.00 0.50 H new ATOM 0 HG2 LYS A 88 3.985 3.898 -12.107 1.00 0.74 H new ATOM 0 HG3 LYS A 88 3.694 5.077 -10.844 1.00 0.74 H new ATOM 0 HD2 LYS A 88 5.641 5.931 -11.752 1.00 1.03 H new ATOM 0 HD3 LYS A 88 6.311 4.923 -10.485 1.00 1.03 H new ATOM 0 HE2 LYS A 88 7.549 4.483 -12.515 1.00 1.50 H new ATOM 0 HE3 LYS A 88 6.587 3.063 -12.153 1.00 1.50 H new ATOM 0 HZ1 LYS A 88 6.603 3.998 -14.538 1.00 1.89 H new ATOM 0 HZ2 LYS A 88 5.124 3.496 -13.872 1.00 1.89 H new ATOM 0 HZ3 LYS A 88 5.505 5.149 -13.945 1.00 1.89 H new ATOM 834 N ILE A 89 4.130 1.759 -7.352 1.00 0.34 N ATOM 835 CA ILE A 89 3.408 0.949 -6.386 1.00 0.38 C ATOM 836 C ILE A 89 3.284 1.690 -5.058 1.00 0.30 C ATOM 837 O ILE A 89 2.265 1.582 -4.379 1.00 0.31 O ATOM 838 CB ILE A 89 4.074 -0.431 -6.166 1.00 0.49 C ATOM 839 CG1 ILE A 89 4.023 -1.248 -7.463 1.00 0.59 C ATOM 840 CG2 ILE A 89 3.387 -1.189 -5.036 1.00 0.55 C ATOM 841 CD1 ILE A 89 4.463 -2.693 -7.311 1.00 0.71 C ATOM 0 H ILE A 89 5.007 1.350 -7.675 1.00 0.34 H new ATOM 0 HA ILE A 89 2.413 0.771 -6.795 1.00 0.38 H new ATOM 0 HB ILE A 89 5.115 -0.273 -5.885 1.00 0.49 H new ATOM 0 HG12 ILE A 89 3.004 -1.230 -7.850 1.00 0.59 H new ATOM 0 HG13 ILE A 89 4.655 -0.765 -8.208 1.00 0.59 H new ATOM 0 HG21 ILE A 89 3.872 -2.156 -4.899 1.00 0.55 H new ATOM 0 HG22 ILE A 89 3.460 -0.613 -4.114 1.00 0.55 H new ATOM 0 HG23 ILE A 89 2.337 -1.342 -5.286 1.00 0.55 H new ATOM 0 HD11 ILE A 89 4.396 -3.197 -8.275 1.00 0.71 H new ATOM 0 HD12 ILE A 89 5.493 -2.724 -6.956 1.00 0.71 H new ATOM 0 HD13 ILE A 89 3.816 -3.197 -6.593 1.00 0.71 H new ATOM 853 N TRP A 90 4.312 2.462 -4.700 1.00 0.27 N ATOM 854 CA TRP A 90 4.259 3.281 -3.502 1.00 0.23 C ATOM 855 C TRP A 90 3.073 4.234 -3.556 1.00 0.26 C ATOM 856 O TRP A 90 2.247 4.254 -2.649 1.00 0.29 O ATOM 857 CB TRP A 90 5.543 4.094 -3.315 1.00 0.25 C ATOM 858 CG TRP A 90 5.539 4.841 -2.019 1.00 0.24 C ATOM 859 CD1 TRP A 90 5.233 6.159 -1.828 1.00 0.29 C ATOM 860 CD2 TRP A 90 5.818 4.302 -0.725 1.00 0.23 C ATOM 861 NE1 TRP A 90 5.318 6.473 -0.495 1.00 0.30 N ATOM 862 CE2 TRP A 90 5.674 5.348 0.202 1.00 0.26 C ATOM 863 CE3 TRP A 90 6.184 3.036 -0.261 1.00 0.26 C ATOM 864 CZ2 TRP A 90 5.877 5.164 1.565 1.00 0.30 C ATOM 865 CZ3 TRP A 90 6.385 2.854 1.092 1.00 0.32 C ATOM 866 CH2 TRP A 90 6.232 3.915 1.992 1.00 0.33 C ATOM 0 H TRP A 90 5.184 2.533 -5.224 1.00 0.27 H new ATOM 0 HA TRP A 90 4.149 2.602 -2.656 1.00 0.23 H new ATOM 0 HB2 TRP A 90 6.404 3.427 -3.348 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.652 4.797 -4.141 1.00 0.25 H new ATOM 0 HD1 TRP A 90 4.964 6.852 -2.611 1.00 0.29 H new ATOM 0 HE1 TRP A 90 5.145 7.393 -0.089 1.00 0.30 H new ATOM 0 HE3 TRP A 90 6.308 2.213 -0.950 1.00 0.26 H new ATOM 0 HZ2 TRP A 90 5.758 5.980 2.263 1.00 0.30 H new ATOM 0 HZ3 TRP A 90 6.664 1.879 1.462 1.00 0.32 H new ATOM 0 HH2 TRP A 90 6.398 3.743 3.045 1.00 0.33 H new ATOM 877 N LYS A 91 2.984 5.010 -4.632 1.00 0.30 N ATOM 878 CA LYS A 91 1.926 6.006 -4.760 1.00 0.41 C ATOM 879 C LYS A 91 0.563 5.340 -4.947 1.00 0.41 C ATOM 880 O LYS A 91 -0.477 5.974 -4.792 1.00 0.47 O ATOM 881 CB LYS A 91 2.219 6.953 -5.928 1.00 0.58 C ATOM 882 CG LYS A 91 1.205 8.087 -6.096 1.00 0.90 C ATOM 883 CD LYS A 91 1.315 9.148 -4.998 1.00 1.49 C ATOM 884 CE LYS A 91 0.701 8.702 -3.673 1.00 2.16 C ATOM 885 NZ LYS A 91 -0.757 8.404 -3.785 1.00 2.70 N ATOM 0 H LYS A 91 3.627 4.969 -5.423 1.00 0.30 H new ATOM 0 HA LYS A 91 1.897 6.585 -3.837 1.00 0.41 H new ATOM 0 HB2 LYS A 91 3.209 7.386 -5.788 1.00 0.58 H new ATOM 0 HB3 LYS A 91 2.252 6.373 -6.850 1.00 0.58 H new ATOM 0 HG2 LYS A 91 1.352 8.559 -7.067 1.00 0.90 H new ATOM 0 HG3 LYS A 91 0.198 7.671 -6.093 1.00 0.90 H new ATOM 0 HD2 LYS A 91 2.365 9.393 -4.841 1.00 1.49 H new ATOM 0 HD3 LYS A 91 0.821 10.061 -5.332 1.00 1.49 H new ATOM 0 HE2 LYS A 91 1.223 7.814 -3.316 1.00 2.16 H new ATOM 0 HE3 LYS A 91 0.852 9.482 -2.927 1.00 2.16 H new ATOM 0 HZ1 LYS A 91 -1.237 8.683 -2.905 1.00 2.70 H new ATOM 0 HZ2 LYS A 91 -1.160 8.936 -4.583 1.00 2.70 H new ATOM 0 HZ3 LYS A 91 -0.892 7.385 -3.945 1.00 2.70 H new ATOM 899 N LEU A 92 0.568 4.063 -5.280 1.00 0.40 N ATOM 900 CA LEU A 92 -0.651 3.320 -5.446 1.00 0.47 C ATOM 901 C LEU A 92 -1.086 2.718 -4.103 1.00 0.46 C ATOM 902 O LEU A 92 -2.277 2.607 -3.817 1.00 0.61 O ATOM 903 CB LEU A 92 -0.419 2.250 -6.519 1.00 0.54 C ATOM 904 CG LEU A 92 -1.424 1.115 -6.551 1.00 0.97 C ATOM 905 CD1 LEU A 92 -2.828 1.638 -6.808 1.00 1.51 C ATOM 906 CD2 LEU A 92 -1.033 0.088 -7.604 1.00 1.66 C ATOM 0 H LEU A 92 1.417 3.520 -5.441 1.00 0.40 H new ATOM 0 HA LEU A 92 -1.462 3.969 -5.775 1.00 0.47 H new ATOM 0 HB2 LEU A 92 -0.418 2.736 -7.495 1.00 0.54 H new ATOM 0 HB3 LEU A 92 0.574 1.826 -6.373 1.00 0.54 H new ATOM 0 HG LEU A 92 -1.419 0.630 -5.575 1.00 0.97 H new ATOM 0 HD11 LEU A 92 -3.529 0.804 -6.826 1.00 1.51 H new ATOM 0 HD12 LEU A 92 -3.109 2.331 -6.015 1.00 1.51 H new ATOM 0 HD13 LEU A 92 -2.854 2.155 -7.767 1.00 1.51 H new ATOM 0 HD21 LEU A 92 -1.765 -0.720 -7.614 1.00 1.66 H new ATOM 0 HD22 LEU A 92 -1.005 0.564 -8.584 1.00 1.66 H new ATOM 0 HD23 LEU A 92 -0.049 -0.317 -7.369 1.00 1.66 H new ATOM 918 N ALA A 93 -0.111 2.375 -3.263 1.00 0.37 N ATOM 919 CA ALA A 93 -0.396 1.784 -1.959 1.00 0.42 C ATOM 920 C ALA A 93 -0.599 2.854 -0.890 1.00 0.38 C ATOM 921 O ALA A 93 -1.512 2.755 -0.068 1.00 0.43 O ATOM 922 CB ALA A 93 0.725 0.840 -1.549 1.00 0.47 C ATOM 0 H ALA A 93 0.882 2.496 -3.463 1.00 0.37 H new ATOM 0 HA ALA A 93 -1.324 1.220 -2.048 1.00 0.42 H new ATOM 0 HB1 ALA A 93 0.498 0.407 -0.575 1.00 0.47 H new ATOM 0 HB2 ALA A 93 0.818 0.043 -2.287 1.00 0.47 H new ATOM 0 HB3 ALA A 93 1.663 1.392 -1.491 1.00 0.47 H new ATOM 928 N ASP A 94 0.250 3.877 -0.898 1.00 0.33 N ATOM 929 CA ASP A 94 0.144 4.960 0.074 1.00 0.35 C ATOM 930 C ASP A 94 -0.894 5.972 -0.385 1.00 0.32 C ATOM 931 O ASP A 94 -0.638 6.812 -1.255 1.00 0.37 O ATOM 932 CB ASP A 94 1.500 5.641 0.298 1.00 0.37 C ATOM 933 CG ASP A 94 1.458 6.676 1.410 1.00 0.45 C ATOM 934 OD1 ASP A 94 0.722 6.470 2.403 1.00 0.46 O ATOM 935 OD2 ASP A 94 2.174 7.695 1.312 1.00 0.79 O ATOM 0 H ASP A 94 1.016 3.979 -1.564 1.00 0.33 H new ATOM 0 HA ASP A 94 -0.173 4.535 1.026 1.00 0.35 H new ATOM 0 HB2 ASP A 94 2.247 4.885 0.539 1.00 0.37 H new ATOM 0 HB3 ASP A 94 1.819 6.120 -0.628 1.00 0.37 H new ATOM 940 N VAL A 95 -2.078 5.863 0.186 1.00 0.35 N ATOM 941 CA VAL A 95 -3.209 6.674 -0.224 1.00 0.42 C ATOM 942 C VAL A 95 -3.170 8.040 0.449 1.00 0.50 C ATOM 943 O VAL A 95 -3.389 9.073 -0.190 1.00 0.61 O ATOM 944 CB VAL A 95 -4.541 5.975 0.122 1.00 0.49 C ATOM 945 CG1 VAL A 95 -5.729 6.780 -0.387 1.00 0.59 C ATOM 946 CG2 VAL A 95 -4.571 4.557 -0.437 1.00 0.51 C ATOM 0 H VAL A 95 -2.283 5.212 0.944 1.00 0.35 H new ATOM 0 HA VAL A 95 -3.143 6.805 -1.304 1.00 0.42 H new ATOM 0 HB VAL A 95 -4.615 5.915 1.208 1.00 0.49 H new ATOM 0 HG11 VAL A 95 -6.655 6.265 -0.130 1.00 0.59 H new ATOM 0 HG12 VAL A 95 -5.723 7.768 0.074 1.00 0.59 H new ATOM 0 HG13 VAL A 95 -5.661 6.884 -1.470 1.00 0.59 H new ATOM 0 HG21 VAL A 95 -5.519 4.085 -0.180 1.00 0.51 H new ATOM 0 HG22 VAL A 95 -4.464 4.591 -1.521 1.00 0.51 H new ATOM 0 HG23 VAL A 95 -3.751 3.980 -0.010 1.00 0.51 H new ATOM 956 N ASP A 96 -2.863 8.043 1.739 1.00 0.49 N ATOM 957 CA ASP A 96 -2.924 9.266 2.534 1.00 0.59 C ATOM 958 C ASP A 96 -1.662 10.107 2.376 1.00 0.53 C ATOM 959 O ASP A 96 -1.627 11.262 2.800 1.00 0.67 O ATOM 960 CB ASP A 96 -3.174 8.949 4.015 1.00 0.66 C ATOM 961 CG ASP A 96 -2.063 8.153 4.681 1.00 0.64 C ATOM 962 OD1 ASP A 96 -1.288 7.507 3.952 1.00 0.56 O ATOM 963 OD2 ASP A 96 -1.945 8.174 5.928 1.00 0.96 O ATOM 0 H ASP A 96 -2.570 7.215 2.258 1.00 0.49 H new ATOM 0 HA ASP A 96 -3.763 9.851 2.158 1.00 0.59 H new ATOM 0 HB2 ASP A 96 -3.309 9.885 4.557 1.00 0.66 H new ATOM 0 HB3 ASP A 96 -4.107 8.392 4.103 1.00 0.66 H new ATOM 968 N LYS A 97 -0.648 9.526 1.746 1.00 0.40 N ATOM 969 CA LYS A 97 0.622 10.207 1.495 1.00 0.43 C ATOM 970 C LYS A 97 1.273 10.686 2.782 1.00 0.37 C ATOM 971 O LYS A 97 1.283 11.882 3.092 1.00 0.54 O ATOM 972 CB LYS A 97 0.468 11.379 0.525 1.00 0.65 C ATOM 973 CG LYS A 97 0.247 10.959 -0.917 1.00 0.87 C ATOM 974 CD LYS A 97 0.430 12.134 -1.864 1.00 1.21 C ATOM 975 CE LYS A 97 1.848 12.687 -1.800 1.00 2.08 C ATOM 976 NZ LYS A 97 2.023 13.880 -2.673 1.00 2.96 N ATOM 0 H LYS A 97 -0.680 8.569 1.394 1.00 0.40 H new ATOM 0 HA LYS A 97 1.273 9.465 1.032 1.00 0.43 H new ATOM 0 HB2 LYS A 97 -0.371 11.996 0.846 1.00 0.65 H new ATOM 0 HB3 LYS A 97 1.361 12.002 0.579 1.00 0.65 H new ATOM 0 HG2 LYS A 97 0.946 10.165 -1.179 1.00 0.87 H new ATOM 0 HG3 LYS A 97 -0.757 10.550 -1.030 1.00 0.87 H new ATOM 0 HD2 LYS A 97 0.207 11.819 -2.883 1.00 1.21 H new ATOM 0 HD3 LYS A 97 -0.280 12.921 -1.611 1.00 1.21 H new ATOM 0 HE2 LYS A 97 2.087 12.953 -0.770 1.00 2.08 H new ATOM 0 HE3 LYS A 97 2.553 11.912 -2.100 1.00 2.08 H new ATOM 0 HZ1 LYS A 97 3.002 14.224 -2.599 1.00 2.96 H new ATOM 0 HZ2 LYS A 97 1.821 13.621 -3.660 1.00 2.96 H new ATOM 0 HZ3 LYS A 97 1.369 14.630 -2.371 1.00 2.96 H new ATOM 990 N ASP A 98 1.799 9.742 3.534 1.00 0.36 N ATOM 991 CA ASP A 98 2.526 10.048 4.757 1.00 0.37 C ATOM 992 C ASP A 98 3.942 9.500 4.677 1.00 0.36 C ATOM 993 O ASP A 98 4.682 9.517 5.660 1.00 0.41 O ATOM 994 CB ASP A 98 1.798 9.492 5.995 1.00 0.42 C ATOM 995 CG ASP A 98 1.438 8.013 5.917 1.00 0.35 C ATOM 996 OD1 ASP A 98 1.260 7.510 4.794 1.00 0.37 O ATOM 997 OD2 ASP A 98 1.360 7.335 6.967 1.00 0.43 O ATOM 0 H ASP A 98 1.738 8.746 3.321 1.00 0.36 H new ATOM 0 HA ASP A 98 2.574 11.132 4.861 1.00 0.37 H new ATOM 0 HB2 ASP A 98 2.427 9.652 6.871 1.00 0.42 H new ATOM 0 HB3 ASP A 98 0.884 10.066 6.149 1.00 0.42 H new ATOM 1002 N GLY A 99 4.321 9.049 3.481 1.00 0.35 N ATOM 1003 CA GLY A 99 5.665 8.544 3.253 1.00 0.41 C ATOM 1004 C GLY A 99 5.952 7.301 4.060 1.00 0.41 C ATOM 1005 O GLY A 99 7.108 6.921 4.254 1.00 0.44 O ATOM 0 H GLY A 99 3.715 9.025 2.661 1.00 0.35 H new ATOM 0 HA2 GLY A 99 5.794 8.325 2.193 1.00 0.41 H new ATOM 0 HA3 GLY A 99 6.390 9.317 3.509 1.00 0.41 H new ATOM 1009 N LEU A 100 4.890 6.668 4.526 1.00 0.46 N ATOM 1010 CA LEU A 100 4.994 5.471 5.327 1.00 0.48 C ATOM 1011 C LEU A 100 3.700 4.673 5.175 1.00 0.38 C ATOM 1012 O LEU A 100 2.714 5.190 4.654 1.00 0.40 O ATOM 1013 CB LEU A 100 5.297 5.854 6.783 1.00 0.61 C ATOM 1014 CG LEU A 100 4.125 6.338 7.613 1.00 0.60 C ATOM 1015 CD1 LEU A 100 3.575 5.164 8.377 1.00 1.11 C ATOM 1016 CD2 LEU A 100 4.550 7.457 8.554 1.00 0.88 C ATOM 0 H LEU A 100 3.932 6.974 4.357 1.00 0.46 H new ATOM 0 HA LEU A 100 5.816 4.838 4.992 1.00 0.48 H new ATOM 0 HB2 LEU A 100 5.732 4.987 7.280 1.00 0.61 H new ATOM 0 HB3 LEU A 100 6.058 6.635 6.779 1.00 0.61 H new ATOM 0 HG LEU A 100 3.352 6.748 6.963 1.00 0.60 H new ATOM 0 HD11 LEU A 100 2.729 5.488 8.983 1.00 1.11 H new ATOM 0 HD12 LEU A 100 3.247 4.396 7.677 1.00 1.11 H new ATOM 0 HD13 LEU A 100 4.351 4.756 9.025 1.00 1.11 H new ATOM 0 HD21 LEU A 100 3.691 7.787 9.138 1.00 0.88 H new ATOM 0 HD22 LEU A 100 5.327 7.092 9.225 1.00 0.88 H new ATOM 0 HD23 LEU A 100 4.936 8.294 7.973 1.00 0.88 H new ATOM 1028 N LEU A 101 3.700 3.422 5.602 1.00 0.35 N ATOM 1029 CA LEU A 101 2.554 2.553 5.368 1.00 0.31 C ATOM 1030 C LEU A 101 2.058 1.933 6.667 1.00 0.34 C ATOM 1031 O LEU A 101 2.823 1.292 7.385 1.00 0.42 O ATOM 1032 CB LEU A 101 2.925 1.441 4.378 1.00 0.33 C ATOM 1033 CG LEU A 101 3.405 1.910 3.001 1.00 0.33 C ATOM 1034 CD1 LEU A 101 3.770 0.714 2.134 1.00 0.39 C ATOM 1035 CD2 LEU A 101 2.338 2.752 2.321 1.00 0.30 C ATOM 0 H LEU A 101 4.471 2.986 6.108 1.00 0.35 H new ATOM 0 HA LEU A 101 1.754 3.163 4.948 1.00 0.31 H new ATOM 0 HB2 LEU A 101 3.707 0.828 4.825 1.00 0.33 H new ATOM 0 HB3 LEU A 101 2.056 0.798 4.240 1.00 0.33 H new ATOM 0 HG LEU A 101 4.294 2.527 3.137 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.109 1.062 1.158 1.00 0.39 H new ATOM 0 HD12 LEU A 101 4.567 0.146 2.614 1.00 0.39 H new ATOM 0 HD13 LEU A 101 2.895 0.076 2.008 1.00 0.39 H new ATOM 0 HD21 LEU A 101 2.698 3.076 1.344 1.00 0.30 H new ATOM 0 HD22 LEU A 101 1.432 2.159 2.196 1.00 0.30 H new ATOM 0 HD23 LEU A 101 2.118 3.626 2.935 1.00 0.30 H new ATOM 1047 N ASP A 102 0.784 2.141 6.976 1.00 0.33 N ATOM 1048 CA ASP A 102 0.160 1.435 8.086 1.00 0.39 C ATOM 1049 C ASP A 102 -0.217 0.033 7.641 1.00 0.24 C ATOM 1050 O ASP A 102 0.069 -0.356 6.511 1.00 0.20 O ATOM 1051 CB ASP A 102 -1.067 2.174 8.639 1.00 0.57 C ATOM 1052 CG ASP A 102 -2.132 2.459 7.600 1.00 0.70 C ATOM 1053 OD1 ASP A 102 -2.731 1.492 7.089 1.00 1.72 O ATOM 1054 OD2 ASP A 102 -2.355 3.636 7.272 1.00 0.97 O ATOM 0 H ASP A 102 0.169 2.786 6.479 1.00 0.33 H new ATOM 0 HA ASP A 102 0.884 1.385 8.899 1.00 0.39 H new ATOM 0 HB2 ASP A 102 -1.506 1.580 9.441 1.00 0.57 H new ATOM 0 HB3 ASP A 102 -0.743 3.116 9.081 1.00 0.57 H new ATOM 1059 N ASP A 103 -0.851 -0.722 8.521 1.00 0.26 N ATOM 1060 CA ASP A 103 -1.153 -2.118 8.230 1.00 0.29 C ATOM 1061 C ASP A 103 -2.084 -2.251 7.019 1.00 0.25 C ATOM 1062 O ASP A 103 -2.010 -3.236 6.280 1.00 0.28 O ATOM 1063 CB ASP A 103 -1.742 -2.827 9.459 1.00 0.45 C ATOM 1064 CG ASP A 103 -3.135 -2.354 9.827 1.00 0.68 C ATOM 1065 OD1 ASP A 103 -4.112 -2.834 9.212 1.00 1.17 O ATOM 1066 OD2 ASP A 103 -3.263 -1.523 10.745 1.00 1.60 O ATOM 0 H ASP A 103 -1.165 -0.399 9.436 1.00 0.26 H new ATOM 0 HA ASP A 103 -0.213 -2.609 7.978 1.00 0.29 H new ATOM 0 HB2 ASP A 103 -1.771 -3.900 9.269 1.00 0.45 H new ATOM 0 HB3 ASP A 103 -1.079 -2.671 10.310 1.00 0.45 H new ATOM 1071 N GLU A 104 -2.934 -1.250 6.789 1.00 0.26 N ATOM 1072 CA GLU A 104 -3.819 -1.266 5.631 1.00 0.28 C ATOM 1073 C GLU A 104 -3.010 -1.049 4.360 1.00 0.23 C ATOM 1074 O GLU A 104 -3.037 -1.873 3.444 1.00 0.24 O ATOM 1075 CB GLU A 104 -4.892 -0.176 5.724 1.00 0.37 C ATOM 1076 CG GLU A 104 -5.832 -0.295 6.913 1.00 0.59 C ATOM 1077 CD GLU A 104 -6.812 0.859 6.961 1.00 1.07 C ATOM 1078 OE1 GLU A 104 -6.403 1.993 6.639 1.00 1.63 O ATOM 1079 OE2 GLU A 104 -7.994 0.645 7.305 1.00 1.66 O ATOM 0 H GLU A 104 -3.026 -0.427 7.384 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.312 -2.238 5.608 1.00 0.28 H new ATOM 0 HB2 GLU A 104 -4.399 0.795 5.767 1.00 0.37 H new ATOM 0 HB3 GLU A 104 -5.485 -0.192 4.809 1.00 0.37 H new ATOM 0 HG2 GLU A 104 -6.379 -1.236 6.854 1.00 0.59 H new ATOM 0 HG3 GLU A 104 -5.252 -0.321 7.836 1.00 0.59 H new ATOM 1086 N GLU A 105 -2.275 0.058 4.323 1.00 0.22 N ATOM 1087 CA GLU A 105 -1.543 0.448 3.124 1.00 0.24 C ATOM 1088 C GLU A 105 -0.435 -0.560 2.806 1.00 0.18 C ATOM 1089 O GLU A 105 -0.130 -0.814 1.640 1.00 0.18 O ATOM 1090 CB GLU A 105 -0.948 1.857 3.275 1.00 0.33 C ATOM 1091 CG GLU A 105 -1.946 2.906 3.743 1.00 0.33 C ATOM 1092 CD GLU A 105 -1.442 4.330 3.570 1.00 0.35 C ATOM 1093 OE1 GLU A 105 -0.468 4.730 4.255 1.00 0.37 O ATOM 1094 OE2 GLU A 105 -2.019 5.071 2.754 1.00 0.44 O ATOM 0 H GLU A 105 -2.171 0.700 5.109 1.00 0.22 H new ATOM 0 HA GLU A 105 -2.251 0.458 2.295 1.00 0.24 H new ATOM 0 HB2 GLU A 105 -0.121 1.816 3.984 1.00 0.33 H new ATOM 0 HB3 GLU A 105 -0.532 2.169 2.317 1.00 0.33 H new ATOM 0 HG2 GLU A 105 -2.876 2.787 3.188 1.00 0.33 H new ATOM 0 HG3 GLU A 105 -2.178 2.734 4.794 1.00 0.33 H new ATOM 1101 N PHE A 106 0.154 -1.143 3.846 1.00 0.18 N ATOM 1102 CA PHE A 106 1.192 -2.147 3.664 1.00 0.17 C ATOM 1103 C PHE A 106 0.595 -3.423 3.084 1.00 0.18 C ATOM 1104 O PHE A 106 1.168 -4.027 2.178 1.00 0.23 O ATOM 1105 CB PHE A 106 1.900 -2.449 4.987 1.00 0.18 C ATOM 1106 CG PHE A 106 2.990 -3.479 4.862 1.00 0.24 C ATOM 1107 CD1 PHE A 106 4.218 -3.135 4.324 1.00 0.35 C ATOM 1108 CD2 PHE A 106 2.785 -4.786 5.279 1.00 0.33 C ATOM 1109 CE1 PHE A 106 5.225 -4.073 4.207 1.00 0.42 C ATOM 1110 CE2 PHE A 106 3.790 -5.730 5.165 1.00 0.42 C ATOM 1111 CZ PHE A 106 5.010 -5.372 4.625 1.00 0.42 C ATOM 0 H PHE A 106 -0.070 -0.937 4.820 1.00 0.18 H new ATOM 0 HA PHE A 106 1.929 -1.751 2.966 1.00 0.17 H new ATOM 0 HB2 PHE A 106 2.326 -1.526 5.381 1.00 0.18 H new ATOM 0 HB3 PHE A 106 1.165 -2.796 5.713 1.00 0.18 H new ATOM 0 HD1 PHE A 106 4.391 -2.122 3.992 1.00 0.35 H new ATOM 0 HD2 PHE A 106 1.831 -5.070 5.697 1.00 0.33 H new ATOM 0 HE1 PHE A 106 6.180 -3.791 3.789 1.00 0.42 H new ATOM 0 HE2 PHE A 106 3.621 -6.744 5.497 1.00 0.42 H new ATOM 0 HZ PHE A 106 5.795 -6.107 4.530 1.00 0.42 H new ATOM 1121 N ALA A 107 -0.564 -3.825 3.604 1.00 0.18 N ATOM 1122 CA ALA A 107 -1.270 -4.987 3.077 1.00 0.19 C ATOM 1123 C ALA A 107 -1.614 -4.769 1.610 1.00 0.18 C ATOM 1124 O ALA A 107 -1.519 -5.683 0.792 1.00 0.22 O ATOM 1125 CB ALA A 107 -2.531 -5.252 3.883 1.00 0.21 C ATOM 0 H ALA A 107 -1.030 -3.365 4.386 1.00 0.18 H new ATOM 0 HA ALA A 107 -0.620 -5.858 3.159 1.00 0.19 H new ATOM 0 HB1 ALA A 107 -3.046 -6.122 3.477 1.00 0.21 H new ATOM 0 HB2 ALA A 107 -2.265 -5.440 4.923 1.00 0.21 H new ATOM 0 HB3 ALA A 107 -3.187 -4.383 3.828 1.00 0.21 H new ATOM 1131 N LEU A 108 -2.002 -3.539 1.287 1.00 0.17 N ATOM 1132 CA LEU A 108 -2.302 -3.149 -0.085 1.00 0.19 C ATOM 1133 C LEU A 108 -1.059 -3.348 -0.956 1.00 0.20 C ATOM 1134 O LEU A 108 -1.115 -4.022 -1.988 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.776 -1.681 -0.104 1.00 0.23 C ATOM 1136 CG LEU A 108 -3.499 -1.198 -1.373 1.00 0.32 C ATOM 1137 CD1 LEU A 108 -2.528 -1.003 -2.522 1.00 1.33 C ATOM 1138 CD2 LEU A 108 -4.598 -2.171 -1.766 1.00 1.14 C ATOM 0 H LEU A 108 -2.117 -2.787 1.967 1.00 0.17 H new ATOM 0 HA LEU A 108 -3.100 -3.771 -0.489 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -3.443 -1.529 0.745 1.00 0.23 H new ATOM 0 HB3 LEU A 108 -1.907 -1.042 0.055 1.00 0.23 H new ATOM 0 HG LEU A 108 -3.952 -0.232 -1.149 1.00 0.32 H new ATOM 0 HD11 LEU A 108 -3.071 -0.662 -3.403 1.00 1.33 H new ATOM 0 HD12 LEU A 108 -1.781 -0.259 -2.245 1.00 1.33 H new ATOM 0 HD13 LEU A 108 -2.033 -1.948 -2.745 1.00 1.33 H new ATOM 0 HD21 LEU A 108 -5.097 -1.812 -2.666 1.00 1.14 H new ATOM 0 HD22 LEU A 108 -4.164 -3.152 -1.959 1.00 1.14 H new ATOM 0 HD23 LEU A 108 -5.322 -2.248 -0.955 1.00 1.14 H new ATOM 1150 N ALA A 109 0.064 -2.790 -0.506 1.00 0.23 N ATOM 1151 CA ALA A 109 1.333 -2.902 -1.219 1.00 0.28 C ATOM 1152 C ALA A 109 1.736 -4.361 -1.425 1.00 0.29 C ATOM 1153 O ALA A 109 2.134 -4.756 -2.519 1.00 0.32 O ATOM 1154 CB ALA A 109 2.423 -2.152 -0.461 1.00 0.32 C ATOM 0 H ALA A 109 0.119 -2.251 0.358 1.00 0.23 H new ATOM 0 HA ALA A 109 1.206 -2.454 -2.205 1.00 0.28 H new ATOM 0 HB1 ALA A 109 3.367 -2.240 -0.999 1.00 0.32 H new ATOM 0 HB2 ALA A 109 2.150 -1.100 -0.377 1.00 0.32 H new ATOM 0 HB3 ALA A 109 2.532 -2.579 0.536 1.00 0.32 H new ATOM 1160 N ASN A 110 1.615 -5.166 -0.376 1.00 0.30 N ATOM 1161 CA ASN A 110 1.998 -6.575 -0.443 1.00 0.33 C ATOM 1162 C ASN A 110 1.043 -7.366 -1.333 1.00 0.33 C ATOM 1163 O ASN A 110 1.438 -8.347 -1.965 1.00 0.39 O ATOM 1164 CB ASN A 110 2.048 -7.191 0.954 1.00 0.36 C ATOM 1165 CG ASN A 110 3.376 -6.968 1.656 1.00 0.58 C ATOM 1166 OD1 ASN A 110 4.034 -5.855 1.362 1.00 1.20 O flip ATOM 1167 ND2 ASN A 110 3.803 -7.791 2.462 1.00 0.71 N flip ATOM 0 H ASN A 110 1.255 -4.869 0.531 1.00 0.30 H new ATOM 0 HA ASN A 110 2.994 -6.625 -0.883 1.00 0.33 H new ATOM 0 HB2 ASN A 110 1.248 -6.767 1.560 1.00 0.36 H new ATOM 0 HB3 ASN A 110 1.858 -8.262 0.879 1.00 0.36 H new ATOM 0 HD21 ASN A 110 3.267 -8.635 2.661 1.00 0.71 H new ATOM 0 HD22 ASN A 110 4.694 -7.630 2.932 1.00 0.71 H new ATOM 1174 N HIS A 111 -0.218 -6.949 -1.379 1.00 0.29 N ATOM 1175 CA HIS A 111 -1.184 -7.575 -2.274 1.00 0.30 C ATOM 1176 C HIS A 111 -0.757 -7.324 -3.711 1.00 0.33 C ATOM 1177 O HIS A 111 -0.926 -8.177 -4.580 1.00 0.46 O ATOM 1178 CB HIS A 111 -2.595 -7.019 -2.038 1.00 0.26 C ATOM 1179 CG HIS A 111 -3.698 -7.822 -2.665 1.00 0.31 C ATOM 1180 ND1 HIS A 111 -4.306 -8.893 -2.040 1.00 0.46 N ATOM 1181 CD2 HIS A 111 -4.326 -7.685 -3.857 1.00 0.36 C ATOM 1182 CE1 HIS A 111 -5.254 -9.377 -2.819 1.00 0.52 C ATOM 1183 NE2 HIS A 111 -5.288 -8.661 -3.929 1.00 0.45 N ATOM 0 H HIS A 111 -0.592 -6.188 -0.813 1.00 0.29 H new ATOM 0 HA HIS A 111 -1.211 -8.646 -2.075 1.00 0.30 H new ATOM 0 HB2 HIS A 111 -2.773 -6.959 -0.964 1.00 0.26 H new ATOM 0 HB3 HIS A 111 -2.639 -6.001 -2.425 1.00 0.26 H new ATOM 0 HD2 HIS A 111 -4.110 -6.944 -4.612 1.00 0.36 H new ATOM 0 HE1 HIS A 111 -5.894 -10.216 -2.589 1.00 0.52 H new ATOM 0 HE2 HIS A 111 -5.925 -8.809 -4.712 1.00 0.45 H new ATOM 1192 N LEU A 112 -0.187 -6.148 -3.938 1.00 0.27 N ATOM 1193 CA LEU A 112 0.330 -5.776 -5.247 1.00 0.32 C ATOM 1194 C LEU A 112 1.592 -6.564 -5.574 1.00 0.36 C ATOM 1195 O LEU A 112 1.753 -7.036 -6.697 1.00 0.40 O ATOM 1196 CB LEU A 112 0.621 -4.277 -5.297 1.00 0.36 C ATOM 1197 CG LEU A 112 -0.580 -3.375 -5.007 1.00 0.43 C ATOM 1198 CD1 LEU A 112 -0.136 -1.927 -4.910 1.00 0.55 C ATOM 1199 CD2 LEU A 112 -1.646 -3.533 -6.082 1.00 0.52 C ATOM 0 H LEU A 112 -0.071 -5.429 -3.224 1.00 0.27 H new ATOM 0 HA LEU A 112 -0.429 -6.014 -5.992 1.00 0.32 H new ATOM 0 HB2 LEU A 112 1.408 -4.051 -4.578 1.00 0.36 H new ATOM 0 HB3 LEU A 112 1.011 -4.031 -6.285 1.00 0.36 H new ATOM 0 HG LEU A 112 -1.013 -3.674 -4.052 1.00 0.43 H new ATOM 0 HD11 LEU A 112 -1.000 -1.295 -4.703 1.00 0.55 H new ATOM 0 HD12 LEU A 112 0.591 -1.823 -4.105 1.00 0.55 H new ATOM 0 HD13 LEU A 112 0.320 -1.622 -5.852 1.00 0.55 H new ATOM 0 HD21 LEU A 112 -2.491 -2.882 -5.855 1.00 0.52 H new ATOM 0 HD22 LEU A 112 -1.228 -3.261 -7.051 1.00 0.52 H new ATOM 0 HD23 LEU A 112 -1.984 -4.569 -6.110 1.00 0.52 H new ATOM 1211 N ILE A 113 2.480 -6.709 -4.591 1.00 0.39 N ATOM 1212 CA ILE A 113 3.704 -7.483 -4.774 1.00 0.49 C ATOM 1213 C ILE A 113 3.374 -8.902 -5.243 1.00 0.54 C ATOM 1214 O ILE A 113 3.911 -9.386 -6.243 1.00 0.60 O ATOM 1215 CB ILE A 113 4.533 -7.576 -3.468 1.00 0.55 C ATOM 1216 CG1 ILE A 113 4.965 -6.184 -2.973 1.00 0.57 C ATOM 1217 CG2 ILE A 113 5.748 -8.473 -3.676 1.00 0.73 C ATOM 1218 CD1 ILE A 113 5.926 -6.222 -1.800 1.00 0.84 C ATOM 0 H ILE A 113 2.374 -6.301 -3.662 1.00 0.39 H new ATOM 0 HA ILE A 113 4.295 -6.963 -5.528 1.00 0.49 H new ATOM 0 HB ILE A 113 3.898 -8.016 -2.699 1.00 0.55 H new ATOM 0 HG12 ILE A 113 5.433 -5.645 -3.797 1.00 0.57 H new ATOM 0 HG13 ILE A 113 4.078 -5.619 -2.686 1.00 0.57 H new ATOM 0 HG21 ILE A 113 6.321 -8.529 -2.751 1.00 0.73 H new ATOM 0 HG22 ILE A 113 5.418 -9.472 -3.960 1.00 0.73 H new ATOM 0 HG23 ILE A 113 6.374 -8.060 -4.466 1.00 0.73 H new ATOM 0 HD11 ILE A 113 6.184 -5.204 -1.508 1.00 0.84 H new ATOM 0 HD12 ILE A 113 5.455 -6.732 -0.960 1.00 0.84 H new ATOM 0 HD13 ILE A 113 6.831 -6.758 -2.088 1.00 0.84 H new ATOM 1230 N LYS A 114 2.460 -9.546 -4.530 1.00 0.56 N ATOM 1231 CA LYS A 114 2.120 -10.936 -4.802 1.00 0.70 C ATOM 1232 C LYS A 114 1.372 -11.066 -6.118 1.00 0.66 C ATOM 1233 O LYS A 114 1.684 -11.940 -6.921 1.00 0.68 O ATOM 1234 CB LYS A 114 1.291 -11.545 -3.667 1.00 0.86 C ATOM 1235 CG LYS A 114 1.085 -13.045 -3.824 1.00 1.54 C ATOM 1236 CD LYS A 114 0.423 -13.659 -2.602 1.00 2.03 C ATOM 1237 CE LYS A 114 -1.026 -13.221 -2.454 1.00 2.96 C ATOM 1238 NZ LYS A 114 -1.615 -13.697 -1.175 1.00 3.83 N ATOM 0 H LYS A 114 1.940 -9.128 -3.758 1.00 0.56 H new ATOM 0 HA LYS A 114 3.057 -11.488 -4.874 1.00 0.70 H new ATOM 0 HB2 LYS A 114 1.786 -11.349 -2.716 1.00 0.86 H new ATOM 0 HB3 LYS A 114 0.320 -11.052 -3.628 1.00 0.86 H new ATOM 0 HG2 LYS A 114 0.471 -13.237 -4.704 1.00 1.54 H new ATOM 0 HG3 LYS A 114 2.047 -13.527 -3.996 1.00 1.54 H new ATOM 0 HD2 LYS A 114 0.467 -14.746 -2.674 1.00 2.03 H new ATOM 0 HD3 LYS A 114 0.980 -13.376 -1.708 1.00 2.03 H new ATOM 0 HE2 LYS A 114 -1.084 -12.133 -2.499 1.00 2.96 H new ATOM 0 HE3 LYS A 114 -1.610 -13.606 -3.290 1.00 2.96 H new ATOM 0 HZ1 LYS A 114 -2.653 -13.688 -1.246 1.00 3.83 H new ATOM 0 HZ2 LYS A 114 -1.290 -14.666 -0.982 1.00 3.83 H new ATOM 0 HZ3 LYS A 114 -1.315 -13.071 -0.401 1.00 3.83 H new ATOM 1252 N VAL A 115 0.394 -10.194 -6.342 1.00 0.64 N ATOM 1253 CA VAL A 115 -0.404 -10.256 -7.563 1.00 0.70 C ATOM 1254 C VAL A 115 0.481 -10.001 -8.787 1.00 0.71 C ATOM 1255 O VAL A 115 0.238 -10.540 -9.868 1.00 0.82 O ATOM 1256 CB VAL A 115 -1.593 -9.258 -7.526 1.00 0.80 C ATOM 1257 CG1 VAL A 115 -1.132 -7.826 -7.748 1.00 1.19 C ATOM 1258 CG2 VAL A 115 -2.662 -9.643 -8.539 1.00 1.07 C ATOM 0 H VAL A 115 0.136 -9.443 -5.702 1.00 0.64 H new ATOM 0 HA VAL A 115 -0.826 -11.258 -7.635 1.00 0.70 H new ATOM 0 HB VAL A 115 -2.031 -9.313 -6.529 1.00 0.80 H new ATOM 0 HG11 VAL A 115 -1.992 -7.158 -7.715 1.00 1.19 H new ATOM 0 HG12 VAL A 115 -0.425 -7.546 -6.967 1.00 1.19 H new ATOM 0 HG13 VAL A 115 -0.648 -7.746 -8.721 1.00 1.19 H new ATOM 0 HG21 VAL A 115 -3.483 -8.927 -8.492 1.00 1.07 H new ATOM 0 HG22 VAL A 115 -2.233 -9.637 -9.541 1.00 1.07 H new ATOM 0 HG23 VAL A 115 -3.037 -10.641 -8.311 1.00 1.07 H new ATOM 1268 N LYS A 116 1.525 -9.198 -8.600 1.00 0.65 N ATOM 1269 CA LYS A 116 2.483 -8.924 -9.649 1.00 0.73 C ATOM 1270 C LYS A 116 3.313 -10.170 -9.955 1.00 0.76 C ATOM 1271 O LYS A 116 3.493 -10.537 -11.117 1.00 0.90 O ATOM 1272 CB LYS A 116 3.392 -7.765 -9.226 1.00 0.72 C ATOM 1273 CG LYS A 116 4.417 -7.391 -10.270 1.00 0.95 C ATOM 1274 CD LYS A 116 3.752 -6.983 -11.569 1.00 0.93 C ATOM 1275 CE LYS A 116 4.726 -7.070 -12.721 1.00 1.06 C ATOM 1276 NZ LYS A 116 4.041 -6.955 -14.032 1.00 1.32 N ATOM 0 H LYS A 116 1.724 -8.724 -7.719 1.00 0.65 H new ATOM 0 HA LYS A 116 1.946 -8.643 -10.555 1.00 0.73 H new ATOM 0 HB2 LYS A 116 2.776 -6.893 -9.004 1.00 0.72 H new ATOM 0 HB3 LYS A 116 3.906 -8.035 -8.304 1.00 0.72 H new ATOM 0 HG2 LYS A 116 5.034 -6.571 -9.901 1.00 0.95 H new ATOM 0 HG3 LYS A 116 5.083 -8.235 -10.449 1.00 0.95 H new ATOM 0 HD2 LYS A 116 2.895 -7.628 -11.762 1.00 0.93 H new ATOM 0 HD3 LYS A 116 3.372 -5.965 -11.484 1.00 0.93 H new ATOM 0 HE2 LYS A 116 5.470 -6.278 -12.629 1.00 1.06 H new ATOM 0 HE3 LYS A 116 5.262 -8.018 -12.673 1.00 1.06 H new ATOM 0 HZ1 LYS A 116 4.689 -7.252 -14.789 1.00 1.32 H new ATOM 0 HZ2 LYS A 116 3.198 -7.565 -14.038 1.00 1.32 H new ATOM 0 HZ3 LYS A 116 3.755 -5.967 -14.189 1.00 1.32 H new ATOM 1290 N LEU A 117 3.787 -10.831 -8.902 1.00 0.67 N ATOM 1291 CA LEU A 117 4.610 -12.029 -9.051 1.00 0.74 C ATOM 1292 C LEU A 117 3.768 -13.232 -9.464 1.00 0.78 C ATOM 1293 O LEU A 117 4.296 -14.244 -9.922 1.00 0.85 O ATOM 1294 CB LEU A 117 5.349 -12.330 -7.747 1.00 0.74 C ATOM 1295 CG LEU A 117 6.341 -11.259 -7.304 1.00 0.79 C ATOM 1296 CD1 LEU A 117 6.980 -11.667 -5.990 1.00 0.90 C ATOM 1297 CD2 LEU A 117 7.398 -11.032 -8.377 1.00 0.96 C ATOM 0 H LEU A 117 3.615 -10.557 -7.935 1.00 0.67 H new ATOM 0 HA LEU A 117 5.338 -11.838 -9.839 1.00 0.74 H new ATOM 0 HB2 LEU A 117 4.614 -12.472 -6.955 1.00 0.74 H new ATOM 0 HB3 LEU A 117 5.883 -13.274 -7.859 1.00 0.74 H new ATOM 0 HG LEU A 117 5.809 -10.319 -7.157 1.00 0.79 H new ATOM 0 HD11 LEU A 117 7.688 -10.900 -5.676 1.00 0.90 H new ATOM 0 HD12 LEU A 117 6.207 -11.781 -5.230 1.00 0.90 H new ATOM 0 HD13 LEU A 117 7.504 -12.614 -6.119 1.00 0.90 H new ATOM 0 HD21 LEU A 117 8.097 -10.265 -8.043 1.00 0.96 H new ATOM 0 HD22 LEU A 117 7.939 -11.961 -8.558 1.00 0.96 H new ATOM 0 HD23 LEU A 117 6.916 -10.707 -9.299 1.00 0.96 H new ATOM 1309 N GLU A 118 2.458 -13.112 -9.296 1.00 0.78 N ATOM 1310 CA GLU A 118 1.528 -14.150 -9.715 1.00 0.90 C ATOM 1311 C GLU A 118 1.201 -13.969 -11.201 1.00 1.00 C ATOM 1312 O GLU A 118 0.343 -14.653 -11.761 1.00 1.17 O ATOM 1313 CB GLU A 118 0.257 -14.097 -8.854 1.00 0.95 C ATOM 1314 CG GLU A 118 -0.601 -15.354 -8.925 1.00 1.31 C ATOM 1315 CD GLU A 118 0.144 -16.606 -8.492 1.00 1.52 C ATOM 1316 OE1 GLU A 118 0.294 -16.820 -7.272 1.00 1.90 O ATOM 1317 OE2 GLU A 118 0.578 -17.385 -9.368 1.00 2.18 O ATOM 0 H GLU A 118 2.014 -12.299 -8.869 1.00 0.78 H new ATOM 0 HA GLU A 118 1.983 -15.131 -9.578 1.00 0.90 H new ATOM 0 HB2 GLU A 118 0.542 -13.924 -7.816 1.00 0.95 H new ATOM 0 HB3 GLU A 118 -0.344 -13.243 -9.166 1.00 0.95 H new ATOM 0 HG2 GLU A 118 -1.480 -15.224 -8.293 1.00 1.31 H new ATOM 0 HG3 GLU A 118 -0.959 -15.486 -9.946 1.00 1.31 H new ATOM 1324 N GLY A 119 1.895 -13.025 -11.828 1.00 0.95 N ATOM 1325 CA GLY A 119 1.803 -12.851 -13.267 1.00 1.06 C ATOM 1326 C GLY A 119 0.718 -11.882 -13.702 1.00 1.06 C ATOM 1327 O GLY A 119 0.104 -12.066 -14.751 1.00 1.16 O ATOM 0 H GLY A 119 2.525 -12.372 -11.361 1.00 0.95 H new ATOM 0 HA2 GLY A 119 2.763 -12.498 -13.642 1.00 1.06 H new ATOM 0 HA3 GLY A 119 1.617 -13.821 -13.729 1.00 1.06 H new ATOM 1331 N HIS A 120 0.476 -10.853 -12.906 1.00 0.96 N ATOM 1332 CA HIS A 120 -0.471 -9.810 -13.288 1.00 0.97 C ATOM 1333 C HIS A 120 0.257 -8.498 -13.529 1.00 0.94 C ATOM 1334 O HIS A 120 1.349 -8.282 -13.006 1.00 0.95 O ATOM 1335 CB HIS A 120 -1.560 -9.625 -12.224 1.00 0.94 C ATOM 1336 CG HIS A 120 -2.595 -10.705 -12.226 1.00 1.40 C ATOM 1337 ND1 HIS A 120 -3.886 -10.501 -12.659 1.00 1.80 N ATOM 1338 CD2 HIS A 120 -2.527 -12.004 -11.847 1.00 1.83 C ATOM 1339 CE1 HIS A 120 -4.567 -11.626 -12.547 1.00 2.36 C ATOM 1340 NE2 HIS A 120 -3.765 -12.552 -12.061 1.00 2.42 N ATOM 0 H HIS A 120 0.917 -10.715 -11.997 1.00 0.96 H new ATOM 0 HA HIS A 120 -0.956 -10.123 -14.213 1.00 0.97 H new ATOM 0 HB2 HIS A 120 -1.091 -9.586 -11.241 1.00 0.94 H new ATOM 0 HB3 HIS A 120 -2.050 -8.664 -12.382 1.00 0.94 H new ATOM 0 HD2 HIS A 120 -1.660 -12.512 -11.451 1.00 1.83 H new ATOM 0 HE1 HIS A 120 -5.606 -11.764 -12.809 1.00 2.36 H new ATOM 0 HE2 HIS A 120 -4.024 -13.521 -11.874 1.00 2.42 H new ATOM 1349 N GLU A 121 -0.337 -7.633 -14.335 1.00 1.03 N ATOM 1350 CA GLU A 121 0.256 -6.339 -14.625 1.00 1.05 C ATOM 1351 C GLU A 121 -0.584 -5.232 -13.998 1.00 0.98 C ATOM 1352 O GLU A 121 -1.800 -5.171 -14.202 1.00 1.14 O ATOM 1353 CB GLU A 121 0.379 -6.126 -16.139 1.00 1.25 C ATOM 1354 CG GLU A 121 1.193 -4.897 -16.519 1.00 1.61 C ATOM 1355 CD GLU A 121 2.615 -4.954 -15.992 1.00 1.79 C ATOM 1356 OE1 GLU A 121 2.818 -4.732 -14.777 1.00 2.53 O ATOM 1357 OE2 GLU A 121 3.541 -5.189 -16.795 1.00 1.77 O ATOM 0 H GLU A 121 -1.229 -7.804 -14.800 1.00 1.03 H new ATOM 0 HA GLU A 121 1.258 -6.310 -14.196 1.00 1.05 H new ATOM 0 HB2 GLU A 121 0.839 -7.008 -16.585 1.00 1.25 H new ATOM 0 HB3 GLU A 121 -0.619 -6.036 -16.567 1.00 1.25 H new ATOM 0 HG2 GLU A 121 1.215 -4.802 -17.605 1.00 1.61 H new ATOM 0 HG3 GLU A 121 0.701 -4.005 -16.131 1.00 1.61 H new ATOM 1364 N LEU A 122 0.064 -4.366 -13.239 1.00 0.90 N ATOM 1365 CA LEU A 122 -0.641 -3.334 -12.499 1.00 0.87 C ATOM 1366 C LEU A 122 -0.731 -2.032 -13.290 1.00 0.93 C ATOM 1367 O LEU A 122 0.233 -1.606 -13.925 1.00 1.02 O ATOM 1368 CB LEU A 122 0.017 -3.111 -11.133 1.00 0.89 C ATOM 1369 CG LEU A 122 1.535 -2.945 -11.142 1.00 1.05 C ATOM 1370 CD1 LEU A 122 1.933 -1.485 -11.282 1.00 1.33 C ATOM 1371 CD2 LEU A 122 2.119 -3.540 -9.880 1.00 1.16 C ATOM 0 H LEU A 122 1.077 -4.357 -13.119 1.00 0.90 H new ATOM 0 HA LEU A 122 -1.662 -3.678 -12.336 1.00 0.87 H new ATOM 0 HB2 LEU A 122 -0.423 -2.223 -10.680 1.00 0.89 H new ATOM 0 HB3 LEU A 122 -0.233 -3.954 -10.489 1.00 0.89 H new ATOM 0 HG LEU A 122 1.935 -3.475 -12.007 1.00 1.05 H new ATOM 0 HD11 LEU A 122 3.020 -1.403 -11.285 1.00 1.33 H new ATOM 0 HD12 LEU A 122 1.537 -1.088 -12.216 1.00 1.33 H new ATOM 0 HD13 LEU A 122 1.528 -0.916 -10.445 1.00 1.33 H new ATOM 0 HD21 LEU A 122 3.202 -3.420 -9.889 1.00 1.16 H new ATOM 0 HD22 LEU A 122 1.705 -3.029 -9.011 1.00 1.16 H new ATOM 0 HD23 LEU A 122 1.872 -4.600 -9.829 1.00 1.16 H new ATOM 1383 N PRO A 123 -1.913 -1.400 -13.265 1.00 0.97 N ATOM 1384 CA PRO A 123 -2.159 -0.132 -13.959 1.00 1.06 C ATOM 1385 C PRO A 123 -1.491 1.050 -13.265 1.00 1.07 C ATOM 1386 O PRO A 123 -1.250 2.091 -13.882 1.00 1.18 O ATOM 1387 CB PRO A 123 -3.685 0.014 -13.898 1.00 1.18 C ATOM 1388 CG PRO A 123 -4.111 -0.782 -12.714 1.00 1.33 C ATOM 1389 CD PRO A 123 -3.116 -1.896 -12.567 1.00 1.02 C ATOM 0 HA PRO A 123 -1.753 -0.138 -14.970 1.00 1.06 H new ATOM 0 HB2 PRO A 123 -3.976 1.059 -13.794 1.00 1.18 H new ATOM 0 HB3 PRO A 123 -4.152 -0.358 -14.810 1.00 1.18 H new ATOM 0 HG2 PRO A 123 -4.134 -0.162 -11.818 1.00 1.33 H new ATOM 0 HG3 PRO A 123 -5.117 -1.177 -12.854 1.00 1.33 H new ATOM 0 HD2 PRO A 123 -2.909 -2.109 -11.518 1.00 1.02 H new ATOM 0 HD3 PRO A 123 -3.483 -2.820 -13.014 1.00 1.02 H new ATOM 1397 N ALA A 124 -1.184 0.858 -11.981 1.00 1.00 N ATOM 1398 CA ALA A 124 -0.683 1.918 -11.108 1.00 1.07 C ATOM 1399 C ALA A 124 -1.768 2.969 -10.883 1.00 1.11 C ATOM 1400 O ALA A 124 -1.494 4.089 -10.458 1.00 1.25 O ATOM 1401 CB ALA A 124 0.589 2.551 -11.663 1.00 1.23 C ATOM 0 H ALA A 124 -1.277 -0.045 -11.515 1.00 1.00 H new ATOM 0 HA ALA A 124 -0.424 1.472 -10.148 1.00 1.07 H new ATOM 0 HB1 ALA A 124 0.931 3.334 -10.986 1.00 1.23 H new ATOM 0 HB2 ALA A 124 1.363 1.790 -11.757 1.00 1.23 H new ATOM 0 HB3 ALA A 124 0.383 2.982 -12.643 1.00 1.23 H new ATOM 1407 N ASP A 125 -3.006 2.577 -11.162 1.00 1.06 N ATOM 1408 CA ASP A 125 -4.169 3.393 -10.854 1.00 1.15 C ATOM 1409 C ASP A 125 -4.874 2.774 -9.663 1.00 1.07 C ATOM 1410 O ASP A 125 -4.679 1.589 -9.385 1.00 1.04 O ATOM 1411 CB ASP A 125 -5.146 3.456 -12.034 1.00 1.24 C ATOM 1412 CG ASP A 125 -4.536 4.030 -13.301 1.00 1.94 C ATOM 1413 OD1 ASP A 125 -4.330 5.262 -13.360 1.00 2.11 O ATOM 1414 OD2 ASP A 125 -4.226 3.250 -14.232 1.00 2.73 O ATOM 0 H ASP A 125 -3.229 1.687 -11.607 1.00 1.06 H new ATOM 0 HA ASP A 125 -3.838 4.409 -10.640 1.00 1.15 H new ATOM 0 HB2 ASP A 125 -5.516 2.452 -12.242 1.00 1.24 H new ATOM 0 HB3 ASP A 125 -6.007 4.061 -11.750 1.00 1.24 H new ATOM 1419 N LEU A 126 -5.692 3.546 -8.968 1.00 1.07 N ATOM 1420 CA LEU A 126 -6.353 3.040 -7.774 1.00 1.02 C ATOM 1421 C LEU A 126 -7.870 2.959 -7.958 1.00 1.10 C ATOM 1422 O LEU A 126 -8.584 3.940 -7.737 1.00 1.20 O ATOM 1423 CB LEU A 126 -6.027 3.925 -6.568 1.00 1.00 C ATOM 1424 CG LEU A 126 -6.601 3.447 -5.237 1.00 0.91 C ATOM 1425 CD1 LEU A 126 -5.970 2.124 -4.828 1.00 1.17 C ATOM 1426 CD2 LEU A 126 -6.389 4.503 -4.165 1.00 1.66 C ATOM 0 H LEU A 126 -5.913 4.513 -9.204 1.00 1.07 H new ATOM 0 HA LEU A 126 -5.978 2.032 -7.597 1.00 1.02 H new ATOM 0 HB2 LEU A 126 -4.944 3.997 -6.473 1.00 1.00 H new ATOM 0 HB3 LEU A 126 -6.398 4.931 -6.765 1.00 1.00 H new ATOM 0 HG LEU A 126 -7.673 3.287 -5.355 1.00 0.91 H new ATOM 0 HD11 LEU A 126 -6.391 1.799 -3.877 1.00 1.17 H new ATOM 0 HD12 LEU A 126 -6.173 1.373 -5.591 1.00 1.17 H new ATOM 0 HD13 LEU A 126 -4.893 2.252 -4.723 1.00 1.17 H new ATOM 0 HD21 LEU A 126 -6.803 4.150 -3.220 1.00 1.66 H new ATOM 0 HD22 LEU A 126 -5.322 4.692 -4.046 1.00 1.66 H new ATOM 0 HD23 LEU A 126 -6.890 5.425 -4.459 1.00 1.66 H new ATOM 1438 N PRO A 127 -8.374 1.795 -8.406 1.00 1.08 N ATOM 1439 CA PRO A 127 -9.815 1.521 -8.463 1.00 1.16 C ATOM 1440 C PRO A 127 -10.481 1.638 -7.085 1.00 1.08 C ATOM 1441 O PRO A 127 -9.873 1.316 -6.060 1.00 0.96 O ATOM 1442 CB PRO A 127 -9.903 0.076 -8.978 1.00 1.17 C ATOM 1443 CG PRO A 127 -8.526 -0.484 -8.847 1.00 1.11 C ATOM 1444 CD PRO A 127 -7.583 0.681 -8.941 1.00 1.03 C ATOM 0 HA PRO A 127 -10.334 2.238 -9.099 1.00 1.16 H new ATOM 0 HB2 PRO A 127 -10.619 -0.504 -8.396 1.00 1.17 H new ATOM 0 HB3 PRO A 127 -10.239 0.050 -10.014 1.00 1.17 H new ATOM 0 HG2 PRO A 127 -8.407 -1.004 -7.896 1.00 1.11 H new ATOM 0 HG3 PRO A 127 -8.326 -1.210 -9.635 1.00 1.11 H new ATOM 0 HD2 PRO A 127 -6.677 0.514 -8.359 1.00 1.03 H new ATOM 0 HD3 PRO A 127 -7.272 0.865 -9.969 1.00 1.03 H new ATOM 1452 N PRO A 128 -11.747 2.095 -7.056 1.00 1.19 N ATOM 1453 CA PRO A 128 -12.495 2.361 -5.815 1.00 1.21 C ATOM 1454 C PRO A 128 -12.503 1.194 -4.822 1.00 1.10 C ATOM 1455 O PRO A 128 -12.384 1.405 -3.617 1.00 1.18 O ATOM 1456 CB PRO A 128 -13.914 2.643 -6.312 1.00 1.37 C ATOM 1457 CG PRO A 128 -13.733 3.152 -7.699 1.00 1.54 C ATOM 1458 CD PRO A 128 -12.544 2.422 -8.254 1.00 1.37 C ATOM 0 HA PRO A 128 -12.037 3.177 -5.256 1.00 1.21 H new ATOM 0 HB2 PRO A 128 -14.525 1.741 -6.298 1.00 1.37 H new ATOM 0 HB3 PRO A 128 -14.416 3.378 -5.682 1.00 1.37 H new ATOM 0 HG2 PRO A 128 -14.622 2.966 -8.302 1.00 1.54 H new ATOM 0 HG3 PRO A 128 -13.566 4.229 -7.701 1.00 1.54 H new ATOM 0 HD2 PRO A 128 -12.842 1.524 -8.795 1.00 1.37 H new ATOM 0 HD3 PRO A 128 -11.982 3.043 -8.952 1.00 1.37 H new ATOM 1466 N HIS A 129 -12.625 -0.035 -5.315 1.00 1.01 N ATOM 1467 CA HIS A 129 -12.742 -1.192 -4.417 1.00 0.97 C ATOM 1468 C HIS A 129 -11.389 -1.627 -3.843 1.00 0.84 C ATOM 1469 O HIS A 129 -11.277 -2.710 -3.269 1.00 0.85 O ATOM 1470 CB HIS A 129 -13.446 -2.374 -5.107 1.00 1.00 C ATOM 1471 CG HIS A 129 -12.678 -3.030 -6.219 1.00 0.91 C ATOM 1472 ND1 HIS A 129 -12.793 -2.641 -7.530 1.00 1.07 N ATOM 1473 CD2 HIS A 129 -11.820 -4.079 -6.216 1.00 0.84 C ATOM 1474 CE1 HIS A 129 -12.047 -3.420 -8.289 1.00 1.02 C ATOM 1475 NE2 HIS A 129 -11.441 -4.308 -7.520 1.00 0.89 N ATOM 0 H HIS A 129 -12.646 -0.259 -6.310 1.00 1.01 H new ATOM 0 HA HIS A 129 -13.360 -0.869 -3.579 1.00 0.97 H new ATOM 0 HB2 HIS A 129 -13.674 -3.128 -4.353 1.00 1.00 H new ATOM 0 HB3 HIS A 129 -14.398 -2.024 -5.505 1.00 1.00 H new ATOM 0 HD2 HIS A 129 -11.493 -4.634 -5.349 1.00 0.84 H new ATOM 0 HE1 HIS A 129 -11.948 -3.345 -9.362 1.00 1.02 H new ATOM 0 HE2 HIS A 129 -10.803 -5.037 -7.838 1.00 0.89 H new ATOM 1484 N LEU A 130 -10.375 -0.786 -3.980 1.00 0.79 N ATOM 1485 CA LEU A 130 -9.078 -1.064 -3.378 1.00 0.70 C ATOM 1486 C LEU A 130 -8.775 -0.085 -2.248 1.00 0.65 C ATOM 1487 O LEU A 130 -7.694 -0.124 -1.663 1.00 0.61 O ATOM 1488 CB LEU A 130 -7.962 -1.011 -4.424 1.00 0.73 C ATOM 1489 CG LEU A 130 -7.956 -2.159 -5.435 1.00 0.84 C ATOM 1490 CD1 LEU A 130 -6.741 -2.053 -6.345 1.00 1.36 C ATOM 1491 CD2 LEU A 130 -7.970 -3.506 -4.720 1.00 1.29 C ATOM 0 H LEU A 130 -10.423 0.090 -4.500 1.00 0.79 H new ATOM 0 HA LEU A 130 -9.121 -2.072 -2.964 1.00 0.70 H new ATOM 0 HB2 LEU A 130 -8.042 -0.070 -4.969 1.00 0.73 H new ATOM 0 HB3 LEU A 130 -7.003 -1.000 -3.907 1.00 0.73 H new ATOM 0 HG LEU A 130 -8.857 -2.087 -6.045 1.00 0.84 H new ATOM 0 HD11 LEU A 130 -6.749 -2.876 -7.060 1.00 1.36 H new ATOM 0 HD12 LEU A 130 -6.771 -1.105 -6.883 1.00 1.36 H new ATOM 0 HD13 LEU A 130 -5.832 -2.102 -5.745 1.00 1.36 H new ATOM 0 HD21 LEU A 130 -7.966 -4.309 -5.457 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -7.088 -3.590 -4.086 1.00 1.29 H new ATOM 0 HD23 LEU A 130 -8.867 -3.582 -4.106 1.00 1.29 H new ATOM 1503 N VAL A 131 -9.733 0.779 -1.935 1.00 0.71 N ATOM 1504 CA VAL A 131 -9.557 1.766 -0.875 1.00 0.71 C ATOM 1505 C VAL A 131 -9.665 1.111 0.506 1.00 0.69 C ATOM 1506 O VAL A 131 -10.642 0.416 0.799 1.00 0.76 O ATOM 1507 CB VAL A 131 -10.588 2.911 -1.000 1.00 0.76 C ATOM 1508 CG1 VAL A 131 -10.435 3.916 0.131 1.00 1.19 C ATOM 1509 CG2 VAL A 131 -10.444 3.607 -2.345 1.00 1.28 C ATOM 0 H VAL A 131 -10.640 0.817 -2.400 1.00 0.71 H new ATOM 0 HA VAL A 131 -8.558 2.189 -0.984 1.00 0.71 H new ATOM 0 HB VAL A 131 -11.584 2.475 -0.931 1.00 0.76 H new ATOM 0 HG11 VAL A 131 -11.174 4.709 0.015 1.00 1.19 H new ATOM 0 HG12 VAL A 131 -10.588 3.414 1.087 1.00 1.19 H new ATOM 0 HG13 VAL A 131 -9.434 4.346 0.103 1.00 1.19 H new ATOM 0 HG21 VAL A 131 -11.176 4.411 -2.419 1.00 1.28 H new ATOM 0 HG22 VAL A 131 -9.440 4.021 -2.435 1.00 1.28 H new ATOM 0 HG23 VAL A 131 -10.612 2.888 -3.147 1.00 1.28 H new ATOM 1519 N PRO A 132 -8.646 1.321 1.360 1.00 0.62 N ATOM 1520 CA PRO A 132 -8.595 0.755 2.718 1.00 0.65 C ATOM 1521 C PRO A 132 -9.826 1.098 3.565 1.00 0.77 C ATOM 1522 O PRO A 132 -10.494 2.110 3.334 1.00 0.81 O ATOM 1523 CB PRO A 132 -7.338 1.393 3.315 1.00 0.64 C ATOM 1524 CG PRO A 132 -6.487 1.716 2.142 1.00 0.64 C ATOM 1525 CD PRO A 132 -7.441 2.115 1.054 1.00 0.57 C ATOM 0 HA PRO A 132 -8.577 -0.335 2.697 1.00 0.65 H new ATOM 0 HB2 PRO A 132 -7.582 2.289 3.886 1.00 0.64 H new ATOM 0 HB3 PRO A 132 -6.831 0.709 3.996 1.00 0.64 H new ATOM 0 HG2 PRO A 132 -5.793 2.524 2.371 1.00 0.64 H new ATOM 0 HG3 PRO A 132 -5.888 0.856 1.843 1.00 0.64 H new ATOM 0 HD2 PRO A 132 -7.648 3.185 1.071 1.00 0.57 H new ATOM 0 HD3 PRO A 132 -7.045 1.883 0.065 1.00 0.57 H new ATOM 1533 N PRO A 133 -10.132 0.248 4.564 1.00 0.88 N ATOM 1534 CA PRO A 133 -11.327 0.387 5.412 1.00 1.03 C ATOM 1535 C PRO A 133 -11.451 1.751 6.093 1.00 1.04 C ATOM 1536 O PRO A 133 -12.467 2.427 5.952 1.00 1.13 O ATOM 1537 CB PRO A 133 -11.158 -0.718 6.458 1.00 1.17 C ATOM 1538 CG PRO A 133 -10.278 -1.723 5.805 1.00 1.03 C ATOM 1539 CD PRO A 133 -9.337 -0.939 4.937 1.00 0.93 C ATOM 0 HA PRO A 133 -12.236 0.305 4.815 1.00 1.03 H new ATOM 0 HB2 PRO A 133 -10.708 -0.332 7.373 1.00 1.17 H new ATOM 0 HB3 PRO A 133 -12.119 -1.152 6.734 1.00 1.17 H new ATOM 0 HG2 PRO A 133 -9.732 -2.306 6.547 1.00 1.03 H new ATOM 0 HG3 PRO A 133 -10.861 -2.428 5.212 1.00 1.03 H new ATOM 0 HD2 PRO A 133 -8.429 -0.663 5.474 1.00 0.93 H new ATOM 0 HD3 PRO A 133 -9.028 -1.509 4.060 1.00 0.93 H new ATOM 1547 N SER A 134 -10.423 2.166 6.822 1.00 1.02 N ATOM 1548 CA SER A 134 -10.503 3.411 7.583 1.00 1.09 C ATOM 1549 C SER A 134 -10.149 4.624 6.716 1.00 1.09 C ATOM 1550 O SER A 134 -10.034 5.745 7.214 1.00 1.22 O ATOM 1551 CB SER A 134 -9.590 3.349 8.815 1.00 1.14 C ATOM 1552 OG SER A 134 -8.239 3.102 8.456 1.00 1.60 O ATOM 0 H SER A 134 -9.536 1.669 6.904 1.00 1.02 H new ATOM 0 HA SER A 134 -11.534 3.529 7.915 1.00 1.09 H new ATOM 0 HB2 SER A 134 -9.655 4.289 9.363 1.00 1.14 H new ATOM 0 HB3 SER A 134 -9.938 2.564 9.486 1.00 1.14 H new ATOM 0 HG SER A 134 -7.686 3.070 9.265 1.00 1.60 H new ATOM 1558 N LYS A 135 -9.995 4.400 5.415 1.00 0.99 N ATOM 1559 CA LYS A 135 -9.603 5.466 4.499 1.00 1.02 C ATOM 1560 C LYS A 135 -10.656 5.704 3.419 1.00 1.11 C ATOM 1561 O LYS A 135 -10.408 6.428 2.455 1.00 1.21 O ATOM 1562 CB LYS A 135 -8.259 5.129 3.849 1.00 0.89 C ATOM 1563 CG LYS A 135 -7.090 5.136 4.821 1.00 0.90 C ATOM 1564 CD LYS A 135 -5.804 4.711 4.135 1.00 0.67 C ATOM 1565 CE LYS A 135 -4.602 4.824 5.060 1.00 0.66 C ATOM 1566 NZ LYS A 135 -4.758 4.016 6.298 1.00 1.15 N ATOM 0 H LYS A 135 -10.135 3.492 4.972 1.00 0.99 H new ATOM 0 HA LYS A 135 -9.511 6.383 5.081 1.00 1.02 H new ATOM 0 HB2 LYS A 135 -8.327 4.146 3.384 1.00 0.89 H new ATOM 0 HB3 LYS A 135 -8.061 5.846 3.052 1.00 0.89 H new ATOM 0 HG2 LYS A 135 -6.969 6.135 5.241 1.00 0.90 H new ATOM 0 HG3 LYS A 135 -7.301 4.464 5.653 1.00 0.90 H new ATOM 0 HD2 LYS A 135 -5.900 3.682 3.789 1.00 0.67 H new ATOM 0 HD3 LYS A 135 -5.642 5.330 3.252 1.00 0.67 H new ATOM 0 HE2 LYS A 135 -3.707 4.500 4.529 1.00 0.66 H new ATOM 0 HE3 LYS A 135 -4.452 5.870 5.329 1.00 0.66 H new ATOM 0 HZ1 LYS A 135 -3.838 3.933 6.777 1.00 1.15 H new ATOM 0 HZ2 LYS A 135 -5.438 4.481 6.933 1.00 1.15 H new ATOM 0 HZ3 LYS A 135 -5.107 3.068 6.052 1.00 1.15 H new ATOM 1760 N GLY B 149 8.213 9.477 -2.312 1.00 0.48 N ATOM 1761 CA GLY B 149 8.315 8.234 -1.586 1.00 0.35 C ATOM 1762 C GLY B 149 9.753 7.894 -1.282 1.00 0.33 C ATOM 1763 O GLY B 149 10.658 8.599 -1.725 1.00 0.39 O ATOM 0 HA2 GLY B 149 7.752 8.306 -0.656 1.00 0.35 H new ATOM 0 HA3 GLY B 149 7.865 7.431 -2.170 1.00 0.35 H new ATOM 1767 N PRO B 150 10.001 6.811 -0.540 1.00 0.28 N ATOM 1768 CA PRO B 150 11.358 6.404 -0.174 1.00 0.29 C ATOM 1769 C PRO B 150 12.089 5.781 -1.358 1.00 0.30 C ATOM 1770 O PRO B 150 13.288 5.520 -1.299 1.00 0.33 O ATOM 1771 CB PRO B 150 11.115 5.381 0.941 1.00 0.29 C ATOM 1772 CG PRO B 150 9.796 4.783 0.607 1.00 0.26 C ATOM 1773 CD PRO B 150 8.982 5.898 0.012 1.00 0.26 C ATOM 0 HA PRO B 150 11.990 7.236 0.138 1.00 0.29 H new ATOM 0 HB2 PRO B 150 11.900 4.625 0.966 1.00 0.29 H new ATOM 0 HB3 PRO B 150 11.100 5.857 1.922 1.00 0.29 H new ATOM 0 HG2 PRO B 150 9.907 3.960 -0.099 1.00 0.26 H new ATOM 0 HG3 PRO B 150 9.314 4.378 1.496 1.00 0.26 H new ATOM 0 HD2 PRO B 150 8.308 5.533 -0.763 1.00 0.26 H new ATOM 0 HD3 PRO B 150 8.366 6.391 0.764 1.00 0.26 H new ATOM 1781 N PHE B 151 11.354 5.556 -2.440 1.00 0.31 N ATOM 1782 CA PHE B 151 11.924 4.981 -3.649 1.00 0.36 C ATOM 1783 C PHE B 151 12.453 6.071 -4.574 1.00 0.51 C ATOM 1784 O PHE B 151 13.448 5.875 -5.270 1.00 0.75 O ATOM 1785 CB PHE B 151 10.884 4.136 -4.393 1.00 0.34 C ATOM 1786 CG PHE B 151 10.388 2.967 -3.597 1.00 0.29 C ATOM 1787 CD1 PHE B 151 11.264 1.992 -3.143 1.00 0.32 C ATOM 1788 CD2 PHE B 151 9.042 2.845 -3.306 1.00 0.34 C ATOM 1789 CE1 PHE B 151 10.797 0.917 -2.414 1.00 0.39 C ATOM 1790 CE2 PHE B 151 8.572 1.774 -2.581 1.00 0.40 C ATOM 1791 CZ PHE B 151 9.497 0.802 -2.115 1.00 0.41 C ATOM 0 H PHE B 151 10.358 5.765 -2.503 1.00 0.31 H new ATOM 0 HA PHE B 151 12.753 4.340 -3.349 1.00 0.36 H new ATOM 0 HB2 PHE B 151 10.038 4.768 -4.662 1.00 0.34 H new ATOM 0 HB3 PHE B 151 11.320 3.774 -5.324 1.00 0.34 H new ATOM 0 HD1 PHE B 151 12.318 2.075 -3.361 1.00 0.32 H new ATOM 0 HD2 PHE B 151 8.351 3.599 -3.652 1.00 0.34 H new ATOM 0 HE1 PHE B 151 11.490 0.158 -2.080 1.00 0.39 H new ATOM 0 HE2 PHE B 151 7.518 1.674 -2.370 1.00 0.40 H new ATOM 0 HZ PHE B 151 9.152 -0.030 -1.519 1.00 0.41 H new