USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 635 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 58 MET CE :methyl -162:sc= -1.32 (180deg=-1.81) USER MOD Set 1.2: A 70 MET CE :methyl -174:sc= -0.119 (180deg=-0.148) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.0352 K(o=0.46,f=-3) USER MOD Set 2.2: A 53 LYS NZ :NH3+ 145:sc= 0.495 (180deg=-0.208) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -117:sc= 0.607 (180deg=0.0447) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0243) USER MOD Single : A 20 THR OG1 : rot -29:sc= 0.96 USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00674) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0.748 (180deg=0.684) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -169:sc= -0.332 (180deg=-0.725) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 MET CE :methyl -168:sc= -3.88! (180deg=-4.28!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -114:sc= 0.135 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.902 K(o=-0.9,f=-5.4!) USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= 0.231 (180deg=-1.77!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 171:sc=-0.00862 (180deg=-0.0967) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 7 0.300 -13.416 7.800 1.00 74.20 N ATOM 114 CA LYS A 7 1.548 -12.757 7.309 1.00 35.54 C ATOM 115 C LYS A 7 1.304 -11.840 6.084 1.00 32.22 C ATOM 116 O LYS A 7 2.039 -10.867 5.879 1.00 14.13 O ATOM 117 CB LYS A 7 2.662 -13.807 7.012 1.00 71.13 C ATOM 118 CG LYS A 7 3.448 -14.286 8.260 1.00 64.22 C ATOM 119 CD LYS A 7 2.569 -14.992 9.319 1.00 12.12 C ATOM 120 CE LYS A 7 3.348 -15.358 10.593 1.00 24.23 C ATOM 121 NZ LYS A 7 4.432 -16.341 10.339 1.00 63.30 N ATOM 0 HA LYS A 7 1.892 -12.110 8.116 1.00 35.54 H new ATOM 0 HB2 LYS A 7 2.207 -14.673 6.531 1.00 71.13 H new ATOM 0 HB3 LYS A 7 3.366 -13.379 6.298 1.00 71.13 H new ATOM 0 HG2 LYS A 7 4.236 -14.969 7.942 1.00 64.22 H new ATOM 0 HG3 LYS A 7 3.937 -13.428 8.721 1.00 64.22 H new ATOM 0 HD2 LYS A 7 1.734 -14.342 9.583 1.00 12.12 H new ATOM 0 HD3 LYS A 7 2.144 -15.897 8.886 1.00 12.12 H new ATOM 0 HE2 LYS A 7 3.777 -14.453 11.024 1.00 24.23 H new ATOM 0 HE3 LYS A 7 2.658 -15.767 11.331 1.00 24.23 H new ATOM 0 HZ1 LYS A 7 4.925 -16.553 11.230 1.00 63.30 H new ATOM 0 HZ2 LYS A 7 4.024 -17.216 9.953 1.00 63.30 H new ATOM 0 HZ3 LYS A 7 5.108 -15.944 9.656 1.00 63.30 H new ATOM 135 N LEU A 8 0.281 -12.175 5.273 1.00 12.23 N ATOM 136 CA LEU A 8 -0.170 -11.309 4.164 1.00 32.31 C ATOM 137 C LEU A 8 -0.707 -9.955 4.688 1.00 61.04 C ATOM 138 O LEU A 8 -0.204 -8.898 4.302 1.00 22.52 O ATOM 139 CB LEU A 8 -1.261 -12.019 3.298 1.00 62.44 C ATOM 140 CG LEU A 8 -0.769 -13.159 2.346 1.00 64.42 C ATOM 141 CD1 LEU A 8 0.394 -12.661 1.473 1.00 43.23 C ATOM 142 CD2 LEU A 8 -0.391 -14.449 3.110 1.00 62.35 C ATOM 0 H LEU A 8 -0.250 -13.041 5.365 1.00 12.23 H new ATOM 0 HA LEU A 8 0.699 -11.115 3.535 1.00 32.31 H new ATOM 0 HB2 LEU A 8 -2.011 -12.437 3.970 1.00 62.44 H new ATOM 0 HB3 LEU A 8 -1.761 -11.263 2.693 1.00 62.44 H new ATOM 0 HG LEU A 8 -1.603 -13.424 1.696 1.00 64.42 H new ATOM 0 HD11 LEU A 8 0.726 -13.465 0.816 1.00 43.23 H new ATOM 0 HD12 LEU A 8 0.061 -11.815 0.872 1.00 43.23 H new ATOM 0 HD13 LEU A 8 1.221 -12.350 2.111 1.00 43.23 H new ATOM 0 HD21 LEU A 8 -0.057 -15.207 2.401 1.00 62.35 H new ATOM 0 HD22 LEU A 8 0.411 -14.232 3.815 1.00 62.35 H new ATOM 0 HD23 LEU A 8 -1.261 -14.819 3.653 1.00 62.35 H new ATOM 154 N LEU A 9 -1.707 -10.002 5.591 1.00 41.22 N ATOM 155 CA LEU A 9 -2.397 -8.783 6.086 1.00 54.21 C ATOM 156 C LEU A 9 -1.539 -7.996 7.114 1.00 13.23 C ATOM 157 O LEU A 9 -1.412 -6.789 6.985 1.00 5.32 O ATOM 158 CB LEU A 9 -3.827 -9.138 6.614 1.00 40.44 C ATOM 159 CG LEU A 9 -3.944 -10.258 7.717 1.00 22.04 C ATOM 160 CD1 LEU A 9 -3.849 -9.693 9.153 1.00 61.22 C ATOM 161 CD2 LEU A 9 -5.225 -11.102 7.540 1.00 23.33 C ATOM 0 H LEU A 9 -2.059 -10.870 5.996 1.00 41.22 H new ATOM 0 HA LEU A 9 -2.527 -8.101 5.246 1.00 54.21 H new ATOM 0 HB2 LEU A 9 -4.273 -8.227 7.013 1.00 40.44 H new ATOM 0 HB3 LEU A 9 -4.433 -9.443 5.761 1.00 40.44 H new ATOM 0 HG LEU A 9 -3.085 -10.914 7.575 1.00 22.04 H new ATOM 0 HD11 LEU A 9 -3.936 -10.508 9.871 1.00 61.22 H new ATOM 0 HD12 LEU A 9 -2.889 -9.194 9.285 1.00 61.22 H new ATOM 0 HD13 LEU A 9 -4.655 -8.978 9.317 1.00 61.22 H new ATOM 0 HD21 LEU A 9 -5.270 -11.863 8.319 1.00 23.33 H new ATOM 0 HD22 LEU A 9 -6.100 -10.456 7.614 1.00 23.33 H new ATOM 0 HD23 LEU A 9 -5.211 -11.584 6.562 1.00 23.33 H new ATOM 173 N GLU A 10 -0.909 -8.698 8.085 1.00 64.45 N ATOM 174 CA GLU A 10 -0.056 -8.075 9.138 1.00 63.44 C ATOM 175 C GLU A 10 1.061 -7.205 8.522 1.00 24.43 C ATOM 176 O GLU A 10 1.245 -6.043 8.908 1.00 41.41 O ATOM 177 CB GLU A 10 0.598 -9.161 10.047 1.00 13.12 C ATOM 178 CG GLU A 10 -0.391 -10.044 10.845 1.00 64.42 C ATOM 179 CD GLU A 10 0.316 -11.125 11.691 1.00 15.34 C ATOM 180 OE1 GLU A 10 0.937 -12.041 11.104 1.00 30.31 O ATOM 181 OE2 GLU A 10 0.253 -11.070 12.940 1.00 3.44 O ATOM 0 H GLU A 10 -0.974 -9.713 8.165 1.00 64.45 H new ATOM 0 HA GLU A 10 -0.711 -7.443 9.738 1.00 63.44 H new ATOM 0 HB2 GLU A 10 1.215 -9.808 9.424 1.00 13.12 H new ATOM 0 HB3 GLU A 10 1.266 -8.666 10.752 1.00 13.12 H new ATOM 0 HG2 GLU A 10 -0.989 -9.410 11.500 1.00 64.42 H new ATOM 0 HG3 GLU A 10 -1.081 -10.526 10.152 1.00 64.42 H new ATOM 188 N LYS A 11 1.801 -7.796 7.560 1.00 72.55 N ATOM 189 CA LYS A 11 2.904 -7.107 6.878 1.00 72.34 C ATOM 190 C LYS A 11 2.385 -6.022 5.918 1.00 72.12 C ATOM 191 O LYS A 11 2.989 -4.959 5.828 1.00 42.41 O ATOM 192 CB LYS A 11 3.816 -8.119 6.135 1.00 25.33 C ATOM 193 CG LYS A 11 5.020 -7.468 5.404 1.00 2.25 C ATOM 194 CD LYS A 11 6.091 -8.497 4.961 1.00 15.43 C ATOM 195 CE LYS A 11 7.305 -7.831 4.290 1.00 20.45 C ATOM 196 NZ LYS A 11 7.962 -6.825 5.170 1.00 63.23 N ATOM 0 H LYS A 11 1.649 -8.753 7.241 1.00 72.55 H new ATOM 0 HA LYS A 11 3.503 -6.609 7.641 1.00 72.34 H new ATOM 0 HB2 LYS A 11 4.192 -8.848 6.853 1.00 25.33 H new ATOM 0 HB3 LYS A 11 3.216 -8.667 5.408 1.00 25.33 H new ATOM 0 HG2 LYS A 11 4.658 -6.930 4.528 1.00 2.25 H new ATOM 0 HG3 LYS A 11 5.482 -6.732 6.062 1.00 2.25 H new ATOM 0 HD2 LYS A 11 6.426 -9.065 5.829 1.00 15.43 H new ATOM 0 HD3 LYS A 11 5.642 -9.209 4.268 1.00 15.43 H new ATOM 0 HE2 LYS A 11 8.030 -8.597 4.015 1.00 20.45 H new ATOM 0 HE3 LYS A 11 6.986 -7.348 3.366 1.00 20.45 H new ATOM 0 HZ1 LYS A 11 7.894 -5.884 4.733 1.00 63.23 H new ATOM 0 HZ2 LYS A 11 7.489 -6.812 6.096 1.00 63.23 H new ATOM 0 HZ3 LYS A 11 8.963 -7.076 5.297 1.00 63.23 H new ATOM 210 N LEU A 12 1.257 -6.281 5.220 1.00 35.43 N ATOM 211 CA LEU A 12 0.676 -5.296 4.275 1.00 23.10 C ATOM 212 C LEU A 12 0.233 -4.005 5.007 1.00 21.13 C ATOM 213 O LEU A 12 0.619 -2.914 4.620 1.00 61.34 O ATOM 214 CB LEU A 12 -0.515 -5.892 3.483 1.00 14.23 C ATOM 215 CG LEU A 12 -1.051 -4.996 2.317 1.00 15.22 C ATOM 216 CD1 LEU A 12 0.012 -4.838 1.198 1.00 63.04 C ATOM 217 CD2 LEU A 12 -2.384 -5.541 1.757 1.00 24.45 C ATOM 0 H LEU A 12 0.734 -7.154 5.290 1.00 35.43 H new ATOM 0 HA LEU A 12 1.463 -5.041 3.565 1.00 23.10 H new ATOM 0 HB2 LEU A 12 -0.212 -6.855 3.071 1.00 14.23 H new ATOM 0 HB3 LEU A 12 -1.333 -6.085 4.177 1.00 14.23 H new ATOM 0 HG LEU A 12 -1.250 -4.005 2.725 1.00 15.22 H new ATOM 0 HD11 LEU A 12 -0.389 -4.211 0.402 1.00 63.04 H new ATOM 0 HD12 LEU A 12 0.908 -4.373 1.610 1.00 63.04 H new ATOM 0 HD13 LEU A 12 0.265 -5.819 0.795 1.00 63.04 H new ATOM 0 HD21 LEU A 12 -2.730 -4.897 0.949 1.00 24.45 H new ATOM 0 HD22 LEU A 12 -2.233 -6.551 1.376 1.00 24.45 H new ATOM 0 HD23 LEU A 12 -3.131 -5.560 2.550 1.00 24.45 H new ATOM 229 N GLU A 13 -0.552 -4.162 6.082 1.00 3.14 N ATOM 230 CA GLU A 13 -1.029 -3.041 6.935 1.00 73.44 C ATOM 231 C GLU A 13 0.149 -2.307 7.636 1.00 73.55 C ATOM 232 O GLU A 13 0.064 -1.106 7.914 1.00 5.11 O ATOM 233 CB GLU A 13 -2.035 -3.586 7.977 1.00 42.13 C ATOM 234 CG GLU A 13 -3.275 -4.291 7.363 1.00 43.21 C ATOM 235 CD GLU A 13 -4.084 -5.095 8.396 1.00 13.30 C ATOM 236 OE1 GLU A 13 -3.492 -5.968 9.066 1.00 34.14 O ATOM 237 OE2 GLU A 13 -5.292 -4.842 8.564 1.00 40.13 O ATOM 0 H GLU A 13 -0.882 -5.075 6.395 1.00 3.14 H new ATOM 0 HA GLU A 13 -1.524 -2.308 6.298 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -1.518 -4.290 8.630 1.00 42.13 H new ATOM 0 HB3 GLU A 13 -2.374 -2.761 8.603 1.00 42.13 H new ATOM 0 HG2 GLU A 13 -3.922 -3.542 6.906 1.00 43.21 H new ATOM 0 HG3 GLU A 13 -2.948 -4.959 6.566 1.00 43.21 H new ATOM 244 N LYS A 14 1.235 -3.060 7.929 1.00 3.22 N ATOM 245 CA LYS A 14 2.518 -2.492 8.419 1.00 32.04 C ATOM 246 C LYS A 14 3.145 -1.551 7.356 1.00 23.04 C ATOM 247 O LYS A 14 3.602 -0.453 7.686 1.00 21.10 O ATOM 248 CB LYS A 14 3.491 -3.649 8.772 1.00 30.41 C ATOM 249 CG LYS A 14 4.882 -3.226 9.293 1.00 15.52 C ATOM 250 CD LYS A 14 5.812 -4.444 9.522 1.00 4.32 C ATOM 251 CE LYS A 14 7.209 -4.045 10.030 1.00 33.51 C ATOM 252 NZ LYS A 14 7.158 -3.372 11.355 1.00 72.45 N ATOM 0 H LYS A 14 1.249 -4.075 7.834 1.00 3.22 H new ATOM 0 HA LYS A 14 2.328 -1.900 9.314 1.00 32.04 H new ATOM 0 HB2 LYS A 14 3.018 -4.278 9.526 1.00 30.41 H new ATOM 0 HB3 LYS A 14 3.629 -4.265 7.884 1.00 30.41 H new ATOM 0 HG2 LYS A 14 5.345 -2.546 8.578 1.00 15.52 H new ATOM 0 HG3 LYS A 14 4.767 -2.677 10.228 1.00 15.52 H new ATOM 0 HD2 LYS A 14 5.348 -5.118 10.242 1.00 4.32 H new ATOM 0 HD3 LYS A 14 5.915 -4.997 8.588 1.00 4.32 H new ATOM 0 HE2 LYS A 14 7.835 -4.935 10.101 1.00 33.51 H new ATOM 0 HE3 LYS A 14 7.680 -3.381 9.306 1.00 33.51 H new ATOM 0 HZ1 LYS A 14 8.126 -3.214 11.702 1.00 72.45 H new ATOM 0 HZ2 LYS A 14 6.670 -2.458 11.262 1.00 72.45 H new ATOM 0 HZ3 LYS A 14 6.642 -3.972 12.030 1.00 72.45 H new ATOM 266 N ILE A 15 3.128 -1.998 6.078 1.00 25.20 N ATOM 267 CA ILE A 15 3.553 -1.180 4.914 1.00 2.15 C ATOM 268 C ILE A 15 2.676 0.087 4.808 1.00 44.15 C ATOM 269 O ILE A 15 3.205 1.174 4.709 1.00 1.23 O ATOM 270 CB ILE A 15 3.465 -1.989 3.557 1.00 12.02 C ATOM 271 CG1 ILE A 15 4.342 -3.278 3.603 1.00 11.11 C ATOM 272 CG2 ILE A 15 3.846 -1.115 2.329 1.00 41.24 C ATOM 273 CD1 ILE A 15 4.021 -4.286 2.512 1.00 55.12 C ATOM 0 H ILE A 15 2.819 -2.936 5.823 1.00 25.20 H new ATOM 0 HA ILE A 15 4.595 -0.903 5.077 1.00 2.15 H new ATOM 0 HB ILE A 15 2.423 -2.287 3.440 1.00 12.02 H new ATOM 0 HG12 ILE A 15 5.391 -2.994 3.523 1.00 11.11 H new ATOM 0 HG13 ILE A 15 4.215 -3.757 4.574 1.00 11.11 H new ATOM 0 HG21 ILE A 15 3.771 -1.712 1.420 1.00 41.24 H new ATOM 0 HG22 ILE A 15 3.166 -0.266 2.262 1.00 41.24 H new ATOM 0 HG23 ILE A 15 4.868 -0.754 2.443 1.00 41.24 H new ATOM 0 HD11 ILE A 15 4.674 -5.153 2.614 1.00 55.12 H new ATOM 0 HD12 ILE A 15 2.982 -4.602 2.603 1.00 55.12 H new ATOM 0 HD13 ILE A 15 4.177 -3.827 1.536 1.00 55.12 H new ATOM 285 N LEU A 16 1.334 -0.094 4.869 1.00 4.40 N ATOM 286 CA LEU A 16 0.326 1.012 4.823 1.00 3.43 C ATOM 287 C LEU A 16 0.614 2.105 5.892 1.00 20.53 C ATOM 288 O LEU A 16 0.490 3.305 5.616 1.00 11.43 O ATOM 289 CB LEU A 16 -1.121 0.418 5.006 1.00 43.13 C ATOM 290 CG LEU A 16 -1.872 -0.099 3.719 1.00 33.24 C ATOM 291 CD1 LEU A 16 -0.986 -0.985 2.818 1.00 1.11 C ATOM 292 CD2 LEU A 16 -3.173 -0.854 4.105 1.00 33.35 C ATOM 0 H LEU A 16 0.909 -1.018 4.952 1.00 4.40 H new ATOM 0 HA LEU A 16 0.397 1.495 3.848 1.00 3.43 H new ATOM 0 HB2 LEU A 16 -1.056 -0.410 5.711 1.00 43.13 H new ATOM 0 HB3 LEU A 16 -1.741 1.184 5.471 1.00 43.13 H new ATOM 0 HG LEU A 16 -2.129 0.787 3.138 1.00 33.24 H new ATOM 0 HD11 LEU A 16 -1.559 -1.309 1.950 1.00 1.11 H new ATOM 0 HD12 LEU A 16 -0.118 -0.415 2.487 1.00 1.11 H new ATOM 0 HD13 LEU A 16 -0.654 -1.858 3.380 1.00 1.11 H new ATOM 0 HD21 LEU A 16 -3.674 -1.201 3.201 1.00 33.35 H new ATOM 0 HD22 LEU A 16 -2.925 -1.709 4.734 1.00 33.35 H new ATOM 0 HD23 LEU A 16 -3.835 -0.182 4.651 1.00 33.35 H new ATOM 304 N ASP A 17 1.019 1.664 7.099 1.00 61.22 N ATOM 305 CA ASP A 17 1.450 2.568 8.194 1.00 51.34 C ATOM 306 C ASP A 17 2.766 3.303 7.826 1.00 12.23 C ATOM 307 O ASP A 17 2.940 4.480 8.132 1.00 35.11 O ATOM 308 CB ASP A 17 1.627 1.754 9.502 1.00 35.00 C ATOM 309 CG ASP A 17 2.052 2.617 10.708 1.00 3.24 C ATOM 310 OD1 ASP A 17 1.173 3.215 11.360 1.00 65.13 O ATOM 311 OD2 ASP A 17 3.271 2.714 10.996 1.00 73.41 O ATOM 0 H ASP A 17 1.058 0.675 7.346 1.00 61.22 H new ATOM 0 HA ASP A 17 0.680 3.325 8.345 1.00 51.34 H new ATOM 0 HB2 ASP A 17 0.689 1.250 9.737 1.00 35.00 H new ATOM 0 HB3 ASP A 17 2.374 0.977 9.339 1.00 35.00 H new ATOM 316 N GLU A 18 3.691 2.568 7.188 1.00 23.31 N ATOM 317 CA GLU A 18 4.979 3.113 6.699 1.00 51.33 C ATOM 318 C GLU A 18 4.806 4.002 5.432 1.00 62.43 C ATOM 319 O GLU A 18 5.706 4.769 5.094 1.00 32.50 O ATOM 320 CB GLU A 18 5.979 1.960 6.427 1.00 74.40 C ATOM 321 CG GLU A 18 6.386 1.146 7.666 1.00 73.23 C ATOM 322 CD GLU A 18 7.383 0.014 7.345 1.00 41.45 C ATOM 323 OE1 GLU A 18 8.577 0.316 7.107 1.00 40.44 O ATOM 324 OE2 GLU A 18 6.988 -1.174 7.345 1.00 43.45 O ATOM 0 H GLU A 18 3.571 1.574 6.993 1.00 23.31 H new ATOM 0 HA GLU A 18 5.378 3.756 7.483 1.00 51.33 H new ATOM 0 HB2 GLU A 18 5.539 1.283 5.695 1.00 74.40 H new ATOM 0 HB3 GLU A 18 6.878 2.378 5.974 1.00 74.40 H new ATOM 0 HG2 GLU A 18 6.830 1.815 8.403 1.00 73.23 H new ATOM 0 HG3 GLU A 18 5.493 0.718 8.121 1.00 73.23 H new ATOM 331 N VAL A 19 3.669 3.851 4.707 1.00 54.45 N ATOM 332 CA VAL A 19 3.332 4.713 3.545 1.00 52.23 C ATOM 333 C VAL A 19 2.824 6.092 4.045 1.00 4.23 C ATOM 334 O VAL A 19 3.179 7.120 3.477 1.00 13.35 O ATOM 335 CB VAL A 19 2.261 4.059 2.565 1.00 31.23 C ATOM 336 CG1 VAL A 19 1.950 4.969 1.360 1.00 60.50 C ATOM 337 CG2 VAL A 19 2.710 2.680 2.048 1.00 33.13 C ATOM 0 H VAL A 19 2.968 3.138 4.908 1.00 54.45 H new ATOM 0 HA VAL A 19 4.248 4.835 2.966 1.00 52.23 H new ATOM 0 HB VAL A 19 1.357 3.934 3.160 1.00 31.23 H new ATOM 0 HG11 VAL A 19 1.215 4.484 0.718 1.00 60.50 H new ATOM 0 HG12 VAL A 19 1.551 5.919 1.715 1.00 60.50 H new ATOM 0 HG13 VAL A 19 2.864 5.148 0.794 1.00 60.50 H new ATOM 0 HG21 VAL A 19 1.947 2.274 1.384 1.00 33.13 H new ATOM 0 HG22 VAL A 19 3.648 2.784 1.503 1.00 33.13 H new ATOM 0 HG23 VAL A 19 2.853 2.004 2.891 1.00 33.13 H new ATOM 347 N THR A 20 1.989 6.095 5.117 1.00 74.12 N ATOM 348 CA THR A 20 1.547 7.351 5.802 1.00 5.14 C ATOM 349 C THR A 20 2.742 8.042 6.511 1.00 2.22 C ATOM 350 O THR A 20 2.834 9.272 6.551 1.00 1.12 O ATOM 351 CB THR A 20 0.424 7.095 6.870 1.00 74.20 C ATOM 352 OG1 THR A 20 0.936 6.297 7.947 1.00 51.23 O ATOM 353 CG2 THR A 20 -0.808 6.395 6.273 1.00 72.20 C ATOM 0 H THR A 20 1.605 5.245 5.530 1.00 74.12 H new ATOM 0 HA THR A 20 1.143 7.993 5.019 1.00 5.14 H new ATOM 0 HB THR A 20 0.112 8.073 7.236 1.00 74.20 H new ATOM 0 HG1 THR A 20 1.648 5.713 7.612 1.00 51.23 H new ATOM 0 HG21 THR A 20 -1.553 6.242 7.053 1.00 72.20 H new ATOM 0 HG22 THR A 20 -1.232 7.015 5.483 1.00 72.20 H new ATOM 0 HG23 THR A 20 -0.513 5.431 5.859 1.00 72.20 H new ATOM 361 N ASP A 21 3.642 7.212 7.071 1.00 15.05 N ATOM 362 CA ASP A 21 4.907 7.655 7.710 1.00 12.40 C ATOM 363 C ASP A 21 5.881 8.260 6.659 1.00 63.21 C ATOM 364 O ASP A 21 6.491 9.312 6.887 1.00 4.25 O ATOM 365 CB ASP A 21 5.547 6.432 8.426 1.00 0.13 C ATOM 366 CG ASP A 21 6.838 6.748 9.197 1.00 75.04 C ATOM 367 OD1 ASP A 21 6.754 7.152 10.378 1.00 52.13 O ATOM 368 OD2 ASP A 21 7.945 6.582 8.634 1.00 24.51 O ATOM 0 H ASP A 21 3.514 6.200 7.095 1.00 15.05 H new ATOM 0 HA ASP A 21 4.698 8.439 8.438 1.00 12.40 H new ATOM 0 HB2 ASP A 21 4.819 6.011 9.119 1.00 0.13 H new ATOM 0 HB3 ASP A 21 5.761 5.664 7.683 1.00 0.13 H new ATOM 373 N GLY A 22 5.995 7.577 5.503 1.00 70.21 N ATOM 374 CA GLY A 22 6.843 8.021 4.380 1.00 33.12 C ATOM 375 C GLY A 22 6.076 8.822 3.320 1.00 42.10 C ATOM 376 O GLY A 22 6.514 8.916 2.168 1.00 63.34 O ATOM 0 H GLY A 22 5.502 6.703 5.322 1.00 70.21 H new ATOM 0 HA2 GLY A 22 7.657 8.632 4.768 1.00 33.12 H new ATOM 0 HA3 GLY A 22 7.296 7.149 3.909 1.00 33.12 H new ATOM 380 N ALA A 23 4.924 9.395 3.721 1.00 52.32 N ATOM 381 CA ALA A 23 4.077 10.226 2.844 1.00 44.33 C ATOM 382 C ALA A 23 4.673 11.645 2.644 1.00 61.32 C ATOM 383 O ALA A 23 5.129 12.261 3.615 1.00 54.44 O ATOM 384 CB ALA A 23 2.673 10.349 3.444 1.00 41.34 C ATOM 0 H ALA A 23 4.554 9.294 4.666 1.00 52.32 H new ATOM 0 HA ALA A 23 4.030 9.736 1.871 1.00 44.33 H new ATOM 0 HB1 ALA A 23 2.052 10.964 2.793 1.00 41.34 H new ATOM 0 HB2 ALA A 23 2.230 9.358 3.539 1.00 41.34 H new ATOM 0 HB3 ALA A 23 2.737 10.813 4.428 1.00 41.34 H new ATOM 390 N PRO A 24 4.678 12.194 1.391 1.00 22.31 N ATOM 391 CA PRO A 24 5.053 13.612 1.135 1.00 25.55 C ATOM 392 C PRO A 24 3.879 14.606 1.421 1.00 61.34 C ATOM 393 O PRO A 24 3.489 15.394 0.551 1.00 54.33 O ATOM 394 CB PRO A 24 5.466 13.570 -0.358 1.00 1.42 C ATOM 395 CG PRO A 24 4.590 12.515 -0.964 1.00 10.30 C ATOM 396 CD PRO A 24 4.375 11.473 0.121 1.00 11.44 C ATOM 0 HA PRO A 24 5.843 13.982 1.789 1.00 25.55 H new ATOM 0 HB2 PRO A 24 5.313 14.536 -0.839 1.00 1.42 H new ATOM 0 HB3 PRO A 24 6.521 13.321 -0.470 1.00 1.42 H new ATOM 0 HG2 PRO A 24 3.640 12.938 -1.292 1.00 10.30 H new ATOM 0 HG3 PRO A 24 5.062 12.073 -1.841 1.00 10.30 H new ATOM 0 HD2 PRO A 24 3.353 11.095 0.112 1.00 11.44 H new ATOM 0 HD3 PRO A 24 5.033 10.615 -0.016 1.00 11.44 H new ATOM 404 N ASP A 25 3.345 14.539 2.670 1.00 54.13 N ATOM 405 CA ASP A 25 2.268 15.423 3.202 1.00 41.05 C ATOM 406 C ASP A 25 0.930 15.341 2.413 1.00 73.23 C ATOM 407 O ASP A 25 -0.010 14.668 2.853 1.00 30.45 O ATOM 408 CB ASP A 25 2.763 16.897 3.329 1.00 22.40 C ATOM 409 CG ASP A 25 3.806 17.079 4.445 1.00 52.11 C ATOM 410 OD1 ASP A 25 4.937 16.562 4.314 1.00 10.44 O ATOM 411 OD2 ASP A 25 3.492 17.728 5.473 1.00 23.15 O ATOM 0 H ASP A 25 3.659 13.851 3.354 1.00 54.13 H new ATOM 0 HA ASP A 25 2.040 15.042 4.198 1.00 41.05 H new ATOM 0 HB2 ASP A 25 3.194 17.214 2.379 1.00 22.40 H new ATOM 0 HB3 ASP A 25 1.910 17.547 3.525 1.00 22.40 H new ATOM 416 N GLU A 26 0.859 16.014 1.247 1.00 22.03 N ATOM 417 CA GLU A 26 -0.397 16.171 0.467 1.00 15.44 C ATOM 418 C GLU A 26 -0.971 14.822 -0.041 1.00 65.42 C ATOM 419 O GLU A 26 -2.190 14.648 -0.104 1.00 70.21 O ATOM 420 CB GLU A 26 -0.170 17.149 -0.718 1.00 0.11 C ATOM 421 CG GLU A 26 0.892 16.699 -1.749 1.00 1.54 C ATOM 422 CD GLU A 26 1.133 17.749 -2.848 1.00 11.30 C ATOM 423 OE1 GLU A 26 0.389 17.757 -3.857 1.00 42.31 O ATOM 424 OE2 GLU A 26 2.049 18.588 -2.698 1.00 21.43 O ATOM 0 H GLU A 26 1.666 16.465 0.816 1.00 22.03 H new ATOM 0 HA GLU A 26 -1.142 16.585 1.146 1.00 15.44 H new ATOM 0 HB2 GLU A 26 -1.118 17.293 -1.236 1.00 0.11 H new ATOM 0 HB3 GLU A 26 0.124 18.119 -0.317 1.00 0.11 H new ATOM 0 HG2 GLU A 26 1.831 16.496 -1.233 1.00 1.54 H new ATOM 0 HG3 GLU A 26 0.573 15.764 -2.209 1.00 1.54 H new ATOM 431 N ALA A 27 -0.072 13.868 -0.365 1.00 13.32 N ATOM 432 CA ALA A 27 -0.443 12.528 -0.884 1.00 72.44 C ATOM 433 C ALA A 27 -1.013 11.593 0.213 1.00 45.55 C ATOM 434 O ALA A 27 -1.604 10.555 -0.105 1.00 44.21 O ATOM 435 CB ALA A 27 0.775 11.879 -1.567 1.00 13.50 C ATOM 0 H ALA A 27 0.935 14.003 -0.275 1.00 13.32 H new ATOM 0 HA ALA A 27 -1.241 12.672 -1.612 1.00 72.44 H new ATOM 0 HB1 ALA A 27 0.498 10.895 -1.947 1.00 13.50 H new ATOM 0 HB2 ALA A 27 1.106 12.507 -2.394 1.00 13.50 H new ATOM 0 HB3 ALA A 27 1.584 11.774 -0.844 1.00 13.50 H new ATOM 441 N ARG A 28 -0.855 11.983 1.499 1.00 34.24 N ATOM 442 CA ARG A 28 -1.257 11.142 2.652 1.00 41.34 C ATOM 443 C ARG A 28 -2.787 10.925 2.723 1.00 11.45 C ATOM 444 O ARG A 28 -3.246 9.879 3.175 1.00 2.00 O ATOM 445 CB ARG A 28 -0.724 11.737 3.984 1.00 74.44 C ATOM 446 CG ARG A 28 -0.824 10.781 5.198 1.00 21.31 C ATOM 447 CD ARG A 28 -0.226 11.378 6.485 1.00 12.01 C ATOM 448 NE ARG A 28 -0.943 12.588 6.929 1.00 1.44 N ATOM 449 CZ ARG A 28 -0.398 13.763 7.193 1.00 40.30 C ATOM 450 NH1 ARG A 28 0.871 13.968 7.031 1.00 23.11 N ATOM 451 NH2 ARG A 28 -1.135 14.731 7.619 1.00 13.43 N ATOM 0 H ARG A 28 -0.450 12.880 1.766 1.00 34.24 H new ATOM 0 HA ARG A 28 -0.804 10.162 2.500 1.00 41.34 H new ATOM 0 HB2 ARG A 28 0.319 12.024 3.848 1.00 74.44 H new ATOM 0 HB3 ARG A 28 -1.279 12.648 4.208 1.00 74.44 H new ATOM 0 HG2 ARG A 28 -1.871 10.532 5.372 1.00 21.31 H new ATOM 0 HG3 ARG A 28 -0.309 9.849 4.963 1.00 21.31 H new ATOM 0 HD2 ARG A 28 -0.256 10.630 7.277 1.00 12.01 H new ATOM 0 HD3 ARG A 28 0.823 11.622 6.316 1.00 12.01 H new ATOM 0 HE ARG A 28 -1.954 12.511 7.043 1.00 1.44 H new ATOM 0 HH11 ARG A 28 1.470 13.215 6.694 1.00 23.11 H new ATOM 0 HH12 ARG A 28 1.271 14.883 7.241 1.00 23.11 H new ATOM 0 HH21 ARG A 28 -2.136 14.589 7.752 1.00 13.43 H new ATOM 0 HH22 ARG A 28 -0.717 15.639 7.823 1.00 13.43 H new ATOM 465 N GLU A 29 -3.560 11.910 2.240 1.00 54.31 N ATOM 466 CA GLU A 29 -5.043 11.850 2.226 1.00 41.13 C ATOM 467 C GLU A 29 -5.580 10.684 1.344 1.00 23.41 C ATOM 468 O GLU A 29 -6.609 10.071 1.672 1.00 24.23 O ATOM 469 CB GLU A 29 -5.609 13.209 1.749 1.00 62.41 C ATOM 470 CG GLU A 29 -5.147 14.417 2.598 1.00 24.53 C ATOM 471 CD GLU A 29 -5.660 15.763 2.062 1.00 11.31 C ATOM 472 OE1 GLU A 29 -5.104 16.262 1.063 1.00 4.51 O ATOM 473 OE2 GLU A 29 -6.618 16.330 2.638 1.00 24.14 O ATOM 0 H GLU A 29 -3.182 12.772 1.847 1.00 54.31 H new ATOM 0 HA GLU A 29 -5.382 11.650 3.242 1.00 41.13 H new ATOM 0 HB2 GLU A 29 -5.311 13.371 0.713 1.00 62.41 H new ATOM 0 HB3 GLU A 29 -6.698 13.163 1.764 1.00 62.41 H new ATOM 0 HG2 GLU A 29 -5.492 14.286 3.623 1.00 24.53 H new ATOM 0 HG3 GLU A 29 -4.058 14.436 2.629 1.00 24.53 H new ATOM 480 N ARG A 30 -4.873 10.391 0.222 1.00 34.45 N ATOM 481 CA ARG A 30 -5.129 9.182 -0.613 1.00 3.10 C ATOM 482 C ARG A 30 -4.893 7.894 0.195 1.00 25.23 C ATOM 483 O ARG A 30 -5.684 6.948 0.124 1.00 4.45 O ATOM 484 CB ARG A 30 -4.213 9.170 -1.884 1.00 13.23 C ATOM 485 CG ARG A 30 -4.619 10.185 -2.974 1.00 22.31 C ATOM 486 CD ARG A 30 -5.979 9.843 -3.610 1.00 54.04 C ATOM 487 NE ARG A 30 -6.442 10.891 -4.536 1.00 65.42 N ATOM 488 CZ ARG A 30 -7.154 10.693 -5.628 1.00 41.13 C ATOM 489 NH1 ARG A 30 -7.331 9.505 -6.113 1.00 43.41 N ATOM 490 NH2 ARG A 30 -7.637 11.708 -6.264 1.00 11.15 N ATOM 0 H ARG A 30 -4.116 10.978 -0.129 1.00 34.45 H new ATOM 0 HA ARG A 30 -6.172 9.221 -0.927 1.00 3.10 H new ATOM 0 HB2 ARG A 30 -3.187 9.374 -1.579 1.00 13.23 H new ATOM 0 HB3 ARG A 30 -4.224 8.169 -2.315 1.00 13.23 H new ATOM 0 HG2 ARG A 30 -4.664 11.184 -2.539 1.00 22.31 H new ATOM 0 HG3 ARG A 30 -3.853 10.209 -3.749 1.00 22.31 H new ATOM 0 HD2 ARG A 30 -5.900 8.897 -4.146 1.00 54.04 H new ATOM 0 HD3 ARG A 30 -6.720 9.703 -2.823 1.00 54.04 H new ATOM 0 HE ARG A 30 -6.190 11.854 -4.313 1.00 65.42 H new ATOM 0 HH11 ARG A 30 -6.915 8.697 -5.649 1.00 43.41 H new ATOM 0 HH12 ARG A 30 -7.886 9.377 -6.959 1.00 43.41 H new ATOM 0 HH21 ARG A 30 -7.466 12.653 -5.921 1.00 11.15 H new ATOM 0 HH22 ARG A 30 -8.189 11.564 -7.110 1.00 11.15 H new ATOM 504 N ILE A 31 -3.801 7.894 0.975 1.00 64.21 N ATOM 505 CA ILE A 31 -3.357 6.716 1.749 1.00 61.31 C ATOM 506 C ILE A 31 -4.344 6.389 2.897 1.00 32.11 C ATOM 507 O ILE A 31 -4.645 5.224 3.126 1.00 4.42 O ATOM 508 CB ILE A 31 -1.908 6.925 2.341 1.00 22.30 C ATOM 509 CG1 ILE A 31 -0.964 7.537 1.261 1.00 20.22 C ATOM 510 CG2 ILE A 31 -1.336 5.583 2.884 1.00 63.33 C ATOM 511 CD1 ILE A 31 0.364 8.051 1.780 1.00 62.41 C ATOM 0 H ILE A 31 -3.198 8.709 1.089 1.00 64.21 H new ATOM 0 HA ILE A 31 -3.333 5.875 1.056 1.00 61.31 H new ATOM 0 HB ILE A 31 -1.972 7.624 3.175 1.00 22.30 H new ATOM 0 HG12 ILE A 31 -0.770 6.781 0.500 1.00 20.22 H new ATOM 0 HG13 ILE A 31 -1.486 8.358 0.769 1.00 20.22 H new ATOM 0 HG21 ILE A 31 -0.337 5.750 3.287 1.00 63.33 H new ATOM 0 HG22 ILE A 31 -1.986 5.202 3.672 1.00 63.33 H new ATOM 0 HG23 ILE A 31 -1.283 4.856 2.074 1.00 63.33 H new ATOM 0 HD11 ILE A 31 0.946 8.456 0.952 1.00 62.41 H new ATOM 0 HD12 ILE A 31 0.188 8.834 2.517 1.00 62.41 H new ATOM 0 HD13 ILE A 31 0.914 7.233 2.244 1.00 62.41 H new ATOM 523 N GLU A 32 -4.843 7.434 3.596 1.00 61.11 N ATOM 524 CA GLU A 32 -5.790 7.283 4.732 1.00 62.42 C ATOM 525 C GLU A 32 -7.096 6.570 4.298 1.00 71.35 C ATOM 526 O GLU A 32 -7.531 5.596 4.932 1.00 71.52 O ATOM 527 CB GLU A 32 -6.137 8.675 5.354 1.00 22.10 C ATOM 528 CG GLU A 32 -4.938 9.470 5.926 1.00 0.15 C ATOM 529 CD GLU A 32 -4.156 8.750 7.047 1.00 73.13 C ATOM 530 OE1 GLU A 32 -4.784 8.108 7.920 1.00 52.44 O ATOM 531 OE2 GLU A 32 -2.916 8.870 7.090 1.00 73.44 O ATOM 0 H GLU A 32 -4.603 8.404 3.392 1.00 61.11 H new ATOM 0 HA GLU A 32 -5.294 6.666 5.482 1.00 62.42 H new ATOM 0 HB2 GLU A 32 -6.622 9.283 4.591 1.00 22.10 H new ATOM 0 HB3 GLU A 32 -6.864 8.525 6.152 1.00 22.10 H new ATOM 0 HG2 GLU A 32 -4.250 9.698 5.112 1.00 0.15 H new ATOM 0 HG3 GLU A 32 -5.303 10.422 6.311 1.00 0.15 H new ATOM 538 N LYS A 33 -7.707 7.071 3.205 1.00 30.01 N ATOM 539 CA LYS A 33 -8.966 6.520 2.666 1.00 73.21 C ATOM 540 C LYS A 33 -8.763 5.100 2.089 1.00 42.44 C ATOM 541 O LYS A 33 -9.486 4.172 2.448 1.00 51.24 O ATOM 542 CB LYS A 33 -9.550 7.465 1.575 1.00 63.21 C ATOM 543 CG LYS A 33 -10.924 7.015 1.010 1.00 71.52 C ATOM 544 CD LYS A 33 -12.044 6.998 2.084 1.00 3.13 C ATOM 545 CE LYS A 33 -13.350 6.350 1.586 1.00 74.12 C ATOM 546 NZ LYS A 33 -13.900 7.022 0.383 1.00 32.11 N ATOM 0 H LYS A 33 -7.344 7.863 2.675 1.00 30.01 H new ATOM 0 HA LYS A 33 -9.675 6.448 3.491 1.00 73.21 H new ATOM 0 HB2 LYS A 33 -9.653 8.466 1.995 1.00 63.21 H new ATOM 0 HB3 LYS A 33 -8.838 7.536 0.753 1.00 63.21 H new ATOM 0 HG2 LYS A 33 -11.215 7.684 0.200 1.00 71.52 H new ATOM 0 HG3 LYS A 33 -10.825 6.018 0.580 1.00 71.52 H new ATOM 0 HD2 LYS A 33 -11.689 6.458 2.962 1.00 3.13 H new ATOM 0 HD3 LYS A 33 -12.251 8.020 2.401 1.00 3.13 H new ATOM 0 HE2 LYS A 33 -13.166 5.300 1.358 1.00 74.12 H new ATOM 0 HE3 LYS A 33 -14.092 6.378 2.384 1.00 74.12 H new ATOM 0 HZ1 LYS A 33 -14.804 6.579 0.121 1.00 32.11 H new ATOM 0 HZ2 LYS A 33 -14.055 8.030 0.589 1.00 32.11 H new ATOM 0 HZ3 LYS A 33 -13.227 6.929 -0.405 1.00 32.11 H new ATOM 560 N LEU A 34 -7.759 4.950 1.208 1.00 22.44 N ATOM 561 CA LEU A 34 -7.490 3.680 0.486 1.00 4.22 C ATOM 562 C LEU A 34 -7.066 2.532 1.436 1.00 25.11 C ATOM 563 O LEU A 34 -7.424 1.375 1.210 1.00 31.53 O ATOM 564 CB LEU A 34 -6.428 3.917 -0.613 1.00 44.12 C ATOM 565 CG LEU A 34 -6.070 2.697 -1.527 1.00 30.43 C ATOM 566 CD1 LEU A 34 -7.309 2.117 -2.249 1.00 0.42 C ATOM 567 CD2 LEU A 34 -4.978 3.090 -2.539 1.00 54.24 C ATOM 0 H LEU A 34 -7.109 5.700 0.972 1.00 22.44 H new ATOM 0 HA LEU A 34 -8.423 3.360 0.021 1.00 4.22 H new ATOM 0 HB2 LEU A 34 -6.776 4.729 -1.252 1.00 44.12 H new ATOM 0 HB3 LEU A 34 -5.512 4.260 -0.132 1.00 44.12 H new ATOM 0 HG LEU A 34 -5.686 1.908 -0.880 1.00 30.43 H new ATOM 0 HD11 LEU A 34 -7.007 1.274 -2.870 1.00 0.42 H new ATOM 0 HD12 LEU A 34 -8.037 1.781 -1.510 1.00 0.42 H new ATOM 0 HD13 LEU A 34 -7.758 2.887 -2.877 1.00 0.42 H new ATOM 0 HD21 LEU A 34 -4.739 2.232 -3.168 1.00 54.24 H new ATOM 0 HD22 LEU A 34 -5.338 3.908 -3.163 1.00 54.24 H new ATOM 0 HD23 LEU A 34 -4.083 3.408 -2.004 1.00 54.24 H new ATOM 579 N ALA A 35 -6.314 2.863 2.503 1.00 52.21 N ATOM 580 CA ALA A 35 -5.936 1.886 3.554 1.00 54.21 C ATOM 581 C ALA A 35 -7.176 1.395 4.343 1.00 51.52 C ATOM 582 O ALA A 35 -7.222 0.241 4.787 1.00 73.52 O ATOM 583 CB ALA A 35 -4.895 2.497 4.505 1.00 52.02 C ATOM 0 H ALA A 35 -5.953 3.803 2.664 1.00 52.21 H new ATOM 0 HA ALA A 35 -5.494 1.020 3.062 1.00 54.21 H new ATOM 0 HB1 ALA A 35 -4.629 1.768 5.270 1.00 52.02 H new ATOM 0 HB2 ALA A 35 -4.004 2.773 3.941 1.00 52.02 H new ATOM 0 HB3 ALA A 35 -5.313 3.385 4.980 1.00 52.02 H new ATOM 589 N LYS A 36 -8.175 2.291 4.495 1.00 3.52 N ATOM 590 CA LYS A 36 -9.476 1.969 5.128 1.00 44.01 C ATOM 591 C LYS A 36 -10.337 1.076 4.192 1.00 34.01 C ATOM 592 O LYS A 36 -11.078 0.204 4.664 1.00 62.33 O ATOM 593 CB LYS A 36 -10.220 3.283 5.494 1.00 63.04 C ATOM 594 CG LYS A 36 -11.505 3.100 6.340 1.00 24.31 C ATOM 595 CD LYS A 36 -12.132 4.456 6.756 1.00 0.44 C ATOM 596 CE LYS A 36 -13.328 4.297 7.714 1.00 60.42 C ATOM 597 NZ LYS A 36 -13.869 5.616 8.158 1.00 74.33 N ATOM 0 H LYS A 36 -8.104 3.259 4.183 1.00 3.52 H new ATOM 0 HA LYS A 36 -9.297 1.406 6.044 1.00 44.01 H new ATOM 0 HB2 LYS A 36 -9.534 3.930 6.040 1.00 63.04 H new ATOM 0 HB3 LYS A 36 -10.482 3.802 4.572 1.00 63.04 H new ATOM 0 HG2 LYS A 36 -12.234 2.524 5.770 1.00 24.31 H new ATOM 0 HG3 LYS A 36 -11.270 2.521 7.233 1.00 24.31 H new ATOM 0 HD2 LYS A 36 -11.370 5.071 7.234 1.00 0.44 H new ATOM 0 HD3 LYS A 36 -12.457 4.989 5.863 1.00 0.44 H new ATOM 0 HE2 LYS A 36 -14.116 3.730 7.219 1.00 60.42 H new ATOM 0 HE3 LYS A 36 -13.020 3.720 8.586 1.00 60.42 H new ATOM 0 HZ1 LYS A 36 -14.672 5.463 8.801 1.00 74.33 H new ATOM 0 HZ2 LYS A 36 -13.125 6.147 8.654 1.00 74.33 H new ATOM 0 HZ3 LYS A 36 -14.187 6.157 7.329 1.00 74.33 H new ATOM 611 N ASP A 37 -10.217 1.304 2.860 1.00 63.44 N ATOM 612 CA ASP A 37 -10.822 0.425 1.829 1.00 23.40 C ATOM 613 C ASP A 37 -10.235 -1.007 1.909 1.00 0.22 C ATOM 614 O ASP A 37 -10.980 -1.989 1.844 1.00 31.22 O ATOM 615 CB ASP A 37 -10.628 1.020 0.402 1.00 45.21 C ATOM 616 CG ASP A 37 -11.489 2.269 0.148 1.00 40.05 C ATOM 617 OD1 ASP A 37 -12.722 2.122 0.006 1.00 72.31 O ATOM 618 OD2 ASP A 37 -10.952 3.393 0.080 1.00 55.42 O ATOM 0 H ASP A 37 -9.703 2.095 2.473 1.00 63.44 H new ATOM 0 HA ASP A 37 -11.892 0.366 2.028 1.00 23.40 H new ATOM 0 HB2 ASP A 37 -9.578 1.275 0.261 1.00 45.21 H new ATOM 0 HB3 ASP A 37 -10.874 0.259 -0.339 1.00 45.21 H new ATOM 623 N VAL A 38 -8.892 -1.104 2.077 1.00 64.10 N ATOM 624 CA VAL A 38 -8.179 -2.406 2.212 1.00 4.41 C ATOM 625 C VAL A 38 -8.694 -3.201 3.441 1.00 62.30 C ATOM 626 O VAL A 38 -8.941 -4.399 3.332 1.00 75.50 O ATOM 627 CB VAL A 38 -6.600 -2.225 2.308 1.00 63.43 C ATOM 628 CG1 VAL A 38 -5.867 -3.578 2.520 1.00 45.52 C ATOM 629 CG2 VAL A 38 -6.034 -1.497 1.061 1.00 61.34 C ATOM 0 H VAL A 38 -8.275 -0.293 2.123 1.00 64.10 H new ATOM 0 HA VAL A 38 -8.395 -2.971 1.305 1.00 4.41 H new ATOM 0 HB VAL A 38 -6.414 -1.604 3.184 1.00 63.43 H new ATOM 0 HG11 VAL A 38 -4.793 -3.404 2.579 1.00 45.52 H new ATOM 0 HG12 VAL A 38 -6.212 -4.038 3.446 1.00 45.52 H new ATOM 0 HG13 VAL A 38 -6.081 -4.243 1.683 1.00 45.52 H new ATOM 0 HG21 VAL A 38 -4.954 -1.391 1.161 1.00 61.34 H new ATOM 0 HG22 VAL A 38 -6.260 -2.078 0.167 1.00 61.34 H new ATOM 0 HG23 VAL A 38 -6.489 -0.510 0.978 1.00 61.34 H new ATOM 639 N LYS A 39 -8.891 -2.496 4.582 1.00 13.34 N ATOM 640 CA LYS A 39 -9.359 -3.090 5.870 1.00 43.34 C ATOM 641 C LYS A 39 -10.642 -3.960 5.718 1.00 63.31 C ATOM 642 O LYS A 39 -10.655 -5.134 6.103 1.00 22.55 O ATOM 643 CB LYS A 39 -9.617 -1.954 6.907 1.00 63.51 C ATOM 644 CG LYS A 39 -8.351 -1.276 7.480 1.00 14.55 C ATOM 645 CD LYS A 39 -7.565 -2.203 8.436 1.00 73.21 C ATOM 646 CE LYS A 39 -6.333 -1.516 9.051 1.00 40.21 C ATOM 647 NZ LYS A 39 -5.679 -2.360 10.091 1.00 41.42 N ATOM 0 H LYS A 39 -8.730 -1.491 4.640 1.00 13.34 H new ATOM 0 HA LYS A 39 -8.567 -3.755 6.216 1.00 43.34 H new ATOM 0 HB2 LYS A 39 -10.236 -1.190 6.436 1.00 63.51 H new ATOM 0 HB3 LYS A 39 -10.194 -2.366 7.735 1.00 63.51 H new ATOM 0 HG2 LYS A 39 -7.702 -0.972 6.659 1.00 14.55 H new ATOM 0 HG3 LYS A 39 -8.638 -0.369 8.012 1.00 14.55 H new ATOM 0 HD2 LYS A 39 -8.226 -2.538 9.235 1.00 73.21 H new ATOM 0 HD3 LYS A 39 -7.246 -3.092 7.892 1.00 73.21 H new ATOM 0 HE2 LYS A 39 -5.614 -1.290 8.264 1.00 40.21 H new ATOM 0 HE3 LYS A 39 -6.632 -0.565 9.492 1.00 40.21 H new ATOM 0 HZ1 LYS A 39 -4.782 -1.921 10.381 1.00 41.42 H new ATOM 0 HZ2 LYS A 39 -6.306 -2.442 10.916 1.00 41.42 H new ATOM 0 HZ3 LYS A 39 -5.492 -3.306 9.703 1.00 41.42 H new ATOM 661 N ASP A 40 -11.703 -3.371 5.140 1.00 13.30 N ATOM 662 CA ASP A 40 -13.006 -4.061 4.949 1.00 12.21 C ATOM 663 C ASP A 40 -12.923 -5.197 3.898 1.00 22.44 C ATOM 664 O ASP A 40 -13.643 -6.201 3.996 1.00 73.23 O ATOM 665 CB ASP A 40 -14.096 -3.033 4.570 1.00 41.01 C ATOM 666 CG ASP A 40 -14.362 -2.030 5.703 1.00 30.22 C ATOM 667 OD1 ASP A 40 -13.583 -1.061 5.847 1.00 44.24 O ATOM 668 OD2 ASP A 40 -15.327 -2.221 6.479 1.00 41.33 O ATOM 0 H ASP A 40 -11.690 -2.412 4.792 1.00 13.30 H new ATOM 0 HA ASP A 40 -13.273 -4.532 5.895 1.00 12.21 H new ATOM 0 HB2 ASP A 40 -13.790 -2.494 3.674 1.00 41.01 H new ATOM 0 HB3 ASP A 40 -15.020 -3.558 4.326 1.00 41.01 H new ATOM 673 N GLU A 41 -12.046 -5.029 2.897 1.00 73.14 N ATOM 674 CA GLU A 41 -11.801 -6.055 1.858 1.00 22.34 C ATOM 675 C GLU A 41 -11.021 -7.279 2.412 1.00 45.04 C ATOM 676 O GLU A 41 -11.165 -8.398 1.906 1.00 23.30 O ATOM 677 CB GLU A 41 -11.059 -5.413 0.672 1.00 34.32 C ATOM 678 CG GLU A 41 -11.863 -4.320 -0.073 1.00 31.42 C ATOM 679 CD GLU A 41 -13.006 -4.881 -0.932 1.00 22.31 C ATOM 680 OE1 GLU A 41 -12.719 -5.438 -2.012 1.00 51.54 O ATOM 681 OE2 GLU A 41 -14.187 -4.778 -0.537 1.00 34.10 O ATOM 0 H GLU A 41 -11.486 -4.184 2.780 1.00 73.14 H new ATOM 0 HA GLU A 41 -12.765 -6.434 1.519 1.00 22.34 H new ATOM 0 HB2 GLU A 41 -10.128 -4.977 1.035 1.00 34.32 H new ATOM 0 HB3 GLU A 41 -10.789 -6.195 -0.038 1.00 34.32 H new ATOM 0 HG2 GLU A 41 -12.275 -3.622 0.656 1.00 31.42 H new ATOM 0 HG3 GLU A 41 -11.185 -3.752 -0.710 1.00 31.42 H new ATOM 688 N LEU A 42 -10.199 -7.051 3.451 1.00 72.01 N ATOM 689 CA LEU A 42 -9.545 -8.139 4.225 1.00 61.41 C ATOM 690 C LEU A 42 -10.596 -8.962 5.019 1.00 22.22 C ATOM 691 O LEU A 42 -10.449 -10.177 5.190 1.00 55.23 O ATOM 692 CB LEU A 42 -8.490 -7.547 5.206 1.00 2.23 C ATOM 693 CG LEU A 42 -7.253 -6.845 4.552 1.00 34.14 C ATOM 694 CD1 LEU A 42 -6.431 -6.061 5.595 1.00 64.30 C ATOM 695 CD2 LEU A 42 -6.356 -7.852 3.795 1.00 44.32 C ATOM 0 H LEU A 42 -9.965 -6.115 3.782 1.00 72.01 H new ATOM 0 HA LEU A 42 -9.045 -8.802 3.519 1.00 61.41 H new ATOM 0 HB2 LEU A 42 -8.990 -6.826 5.853 1.00 2.23 H new ATOM 0 HB3 LEU A 42 -8.128 -8.352 5.846 1.00 2.23 H new ATOM 0 HG LEU A 42 -7.642 -6.133 3.824 1.00 34.14 H new ATOM 0 HD11 LEU A 42 -5.580 -5.587 5.106 1.00 64.30 H new ATOM 0 HD12 LEU A 42 -7.059 -5.297 6.053 1.00 64.30 H new ATOM 0 HD13 LEU A 42 -6.072 -6.745 6.364 1.00 64.30 H new ATOM 0 HD21 LEU A 42 -5.509 -7.326 3.355 1.00 44.32 H new ATOM 0 HD22 LEU A 42 -5.992 -8.609 4.490 1.00 44.32 H new ATOM 0 HD23 LEU A 42 -6.934 -8.332 3.005 1.00 44.32 H new ATOM 707 N GLU A 43 -11.659 -8.275 5.478 1.00 35.23 N ATOM 708 CA GLU A 43 -12.731 -8.876 6.301 1.00 25.15 C ATOM 709 C GLU A 43 -13.757 -9.686 5.460 1.00 1.53 C ATOM 710 O GLU A 43 -14.051 -10.841 5.783 1.00 43.30 O ATOM 711 CB GLU A 43 -13.461 -7.763 7.109 1.00 52.01 C ATOM 712 CG GLU A 43 -12.563 -6.980 8.097 1.00 52.41 C ATOM 713 CD GLU A 43 -11.915 -7.868 9.178 1.00 10.54 C ATOM 714 OE1 GLU A 43 -12.610 -8.246 10.147 1.00 71.12 O ATOM 715 OE2 GLU A 43 -10.714 -8.204 9.063 1.00 24.00 O ATOM 0 H GLU A 43 -11.801 -7.283 5.289 1.00 35.23 H new ATOM 0 HA GLU A 43 -12.255 -9.582 6.982 1.00 25.15 H new ATOM 0 HB2 GLU A 43 -13.906 -7.057 6.407 1.00 52.01 H new ATOM 0 HB3 GLU A 43 -14.280 -8.217 7.667 1.00 52.01 H new ATOM 0 HG2 GLU A 43 -11.778 -6.472 7.537 1.00 52.41 H new ATOM 0 HG3 GLU A 43 -13.159 -6.207 8.583 1.00 52.41 H new ATOM 756 N ALA A 47 -9.284 -9.038 -1.124 1.00 64.25 N ATOM 757 CA ALA A 47 -8.004 -8.435 -0.693 1.00 1.54 C ATOM 758 C ALA A 47 -6.903 -8.514 -1.779 1.00 33.35 C ATOM 759 O ALA A 47 -6.045 -7.633 -1.844 1.00 41.44 O ATOM 760 CB ALA A 47 -7.534 -9.121 0.597 1.00 63.13 C ATOM 0 HA ALA A 47 -8.182 -7.374 -0.515 1.00 1.54 H new ATOM 0 HB1 ALA A 47 -6.591 -8.681 0.920 1.00 63.13 H new ATOM 0 HB2 ALA A 47 -8.284 -8.984 1.376 1.00 63.13 H new ATOM 0 HB3 ALA A 47 -7.393 -10.186 0.412 1.00 63.13 H new ATOM 766 N LYS A 48 -6.950 -9.572 -2.618 1.00 33.42 N ATOM 767 CA LYS A 48 -5.974 -9.806 -3.718 1.00 35.21 C ATOM 768 C LYS A 48 -5.899 -8.584 -4.665 1.00 64.21 C ATOM 769 O LYS A 48 -4.814 -8.056 -4.953 1.00 12.21 O ATOM 770 CB LYS A 48 -6.395 -11.063 -4.527 1.00 62.32 C ATOM 771 CG LYS A 48 -5.452 -11.432 -5.712 1.00 33.14 C ATOM 772 CD LYS A 48 -6.175 -12.233 -6.828 1.00 20.43 C ATOM 773 CE LYS A 48 -7.318 -11.422 -7.469 1.00 73.10 C ATOM 774 NZ LYS A 48 -8.052 -12.190 -8.511 1.00 75.45 N ATOM 0 H LYS A 48 -7.668 -10.294 -2.555 1.00 33.42 H new ATOM 0 HA LYS A 48 -4.990 -9.960 -3.276 1.00 35.21 H new ATOM 0 HB2 LYS A 48 -6.448 -11.913 -3.847 1.00 62.32 H new ATOM 0 HB3 LYS A 48 -7.400 -10.905 -4.918 1.00 62.32 H new ATOM 0 HG2 LYS A 48 -5.036 -10.519 -6.138 1.00 33.14 H new ATOM 0 HG3 LYS A 48 -4.614 -12.018 -5.335 1.00 33.14 H new ATOM 0 HD2 LYS A 48 -5.455 -12.516 -7.596 1.00 20.43 H new ATOM 0 HD3 LYS A 48 -6.575 -13.157 -6.411 1.00 20.43 H new ATOM 0 HE2 LYS A 48 -8.017 -11.111 -6.693 1.00 73.10 H new ATOM 0 HE3 LYS A 48 -6.910 -10.514 -7.913 1.00 73.10 H new ATOM 0 HZ1 LYS A 48 -8.809 -11.599 -8.909 1.00 75.45 H new ATOM 0 HZ2 LYS A 48 -7.394 -12.465 -9.268 1.00 75.45 H new ATOM 0 HZ3 LYS A 48 -8.467 -13.043 -8.085 1.00 75.45 H new ATOM 788 N ASN A 49 -7.086 -8.151 -5.132 1.00 71.11 N ATOM 789 CA ASN A 49 -7.233 -6.969 -5.999 1.00 3.33 C ATOM 790 C ASN A 49 -6.779 -5.684 -5.272 1.00 42.44 C ATOM 791 O ASN A 49 -6.227 -4.797 -5.884 1.00 43.13 O ATOM 792 CB ASN A 49 -8.705 -6.824 -6.474 1.00 65.22 C ATOM 793 CG ASN A 49 -8.922 -5.776 -7.577 1.00 73.25 C ATOM 794 OD1 ASN A 49 -9.920 -5.061 -7.584 1.00 74.23 O ATOM 795 ND2 ASN A 49 -8.025 -5.706 -8.550 1.00 73.23 N ATOM 0 H ASN A 49 -7.970 -8.612 -4.918 1.00 71.11 H new ATOM 0 HA ASN A 49 -6.593 -7.111 -6.870 1.00 3.33 H new ATOM 0 HB2 ASN A 49 -9.053 -7.791 -6.837 1.00 65.22 H new ATOM 0 HB3 ASN A 49 -9.325 -6.563 -5.617 1.00 65.22 H new ATOM 0 HD21 ASN A 49 -8.158 -5.051 -9.320 1.00 73.23 H new ATOM 0 HD22 ASN A 49 -7.201 -6.307 -8.529 1.00 73.23 H new ATOM 802 N MET A 50 -6.994 -5.618 -3.954 1.00 51.35 N ATOM 803 CA MET A 50 -6.662 -4.426 -3.139 1.00 25.44 C ATOM 804 C MET A 50 -5.154 -4.195 -2.967 1.00 12.53 C ATOM 805 O MET A 50 -4.737 -3.068 -2.728 1.00 42.33 O ATOM 806 CB MET A 50 -7.356 -4.510 -1.775 1.00 1.50 C ATOM 807 CG MET A 50 -8.867 -4.414 -1.895 1.00 54.30 C ATOM 808 SD MET A 50 -9.407 -2.877 -2.672 1.00 31.22 S ATOM 809 CE MET A 50 -8.807 -1.660 -1.502 1.00 23.35 C ATOM 0 H MET A 50 -7.401 -6.383 -3.416 1.00 51.35 H new ATOM 0 HA MET A 50 -7.034 -3.562 -3.690 1.00 25.44 H new ATOM 0 HB2 MET A 50 -7.090 -5.450 -1.291 1.00 1.50 H new ATOM 0 HB3 MET A 50 -6.992 -3.707 -1.134 1.00 1.50 H new ATOM 0 HG2 MET A 50 -9.236 -5.259 -2.476 1.00 54.30 H new ATOM 0 HG3 MET A 50 -9.312 -4.491 -0.903 1.00 54.30 H new ATOM 0 HE1 MET A 50 -9.231 -0.685 -1.742 1.00 23.35 H new ATOM 0 HE2 MET A 50 -9.105 -1.947 -0.494 1.00 23.35 H new ATOM 0 HE3 MET A 50 -7.720 -1.607 -1.558 1.00 23.35 H new ATOM 819 N ILE A 51 -4.351 -5.264 -3.045 1.00 33.43 N ATOM 820 CA ILE A 51 -2.875 -5.140 -2.993 1.00 30.53 C ATOM 821 C ILE A 51 -2.344 -4.497 -4.303 1.00 61.52 C ATOM 822 O ILE A 51 -1.483 -3.616 -4.261 1.00 44.12 O ATOM 823 CB ILE A 51 -2.179 -6.527 -2.739 1.00 43.30 C ATOM 824 CG1 ILE A 51 -2.837 -7.252 -1.527 1.00 44.00 C ATOM 825 CG2 ILE A 51 -0.655 -6.349 -2.506 1.00 10.10 C ATOM 826 CD1 ILE A 51 -2.295 -8.636 -1.236 1.00 72.41 C ATOM 0 H ILE A 51 -4.688 -6.221 -3.144 1.00 33.43 H new ATOM 0 HA ILE A 51 -2.627 -4.493 -2.152 1.00 30.53 H new ATOM 0 HB ILE A 51 -2.315 -7.143 -3.628 1.00 43.30 H new ATOM 0 HG12 ILE A 51 -2.707 -6.633 -0.639 1.00 44.00 H new ATOM 0 HG13 ILE A 51 -3.909 -7.329 -1.708 1.00 44.00 H new ATOM 0 HG21 ILE A 51 -0.197 -7.323 -2.333 1.00 10.10 H new ATOM 0 HG22 ILE A 51 -0.204 -5.887 -3.384 1.00 10.10 H new ATOM 0 HG23 ILE A 51 -0.492 -5.712 -1.637 1.00 10.10 H new ATOM 0 HD11 ILE A 51 -2.816 -9.057 -0.376 1.00 72.41 H new ATOM 0 HD12 ILE A 51 -2.450 -9.277 -2.104 1.00 72.41 H new ATOM 0 HD13 ILE A 51 -1.229 -8.571 -1.018 1.00 72.41 H new ATOM 838 N GLU A 52 -2.885 -4.939 -5.468 1.00 71.14 N ATOM 839 CA GLU A 52 -2.535 -4.354 -6.793 1.00 52.34 C ATOM 840 C GLU A 52 -3.179 -2.950 -6.984 1.00 62.41 C ATOM 841 O GLU A 52 -2.633 -2.106 -7.697 1.00 75.34 O ATOM 842 CB GLU A 52 -2.928 -5.318 -7.961 1.00 61.11 C ATOM 843 CG GLU A 52 -4.435 -5.463 -8.216 1.00 51.55 C ATOM 844 CD GLU A 52 -4.795 -6.478 -9.311 1.00 61.42 C ATOM 845 OE1 GLU A 52 -4.485 -6.222 -10.492 1.00 75.52 O ATOM 846 OE2 GLU A 52 -5.428 -7.514 -9.003 1.00 53.21 O ATOM 0 H GLU A 52 -3.565 -5.698 -5.518 1.00 71.14 H new ATOM 0 HA GLU A 52 -1.453 -4.226 -6.817 1.00 52.34 H new ATOM 0 HB2 GLU A 52 -2.454 -4.964 -8.877 1.00 61.11 H new ATOM 0 HB3 GLU A 52 -2.516 -6.305 -7.750 1.00 61.11 H new ATOM 0 HG2 GLU A 52 -4.922 -5.760 -7.287 1.00 51.55 H new ATOM 0 HG3 GLU A 52 -4.841 -4.489 -8.492 1.00 51.55 H new ATOM 853 N LYS A 53 -4.351 -2.718 -6.339 1.00 23.23 N ATOM 854 CA LYS A 53 -5.054 -1.400 -6.351 1.00 45.15 C ATOM 855 C LYS A 53 -4.314 -0.372 -5.478 1.00 2.42 C ATOM 856 O LYS A 53 -4.191 0.803 -5.856 1.00 55.34 O ATOM 857 CB LYS A 53 -6.529 -1.538 -5.863 1.00 3.23 C ATOM 858 CG LYS A 53 -7.501 -2.186 -6.877 1.00 70.32 C ATOM 859 CD LYS A 53 -7.734 -1.323 -8.141 1.00 32.13 C ATOM 860 CE LYS A 53 -8.769 -1.948 -9.094 1.00 12.32 C ATOM 861 NZ LYS A 53 -10.095 -2.156 -8.438 1.00 23.12 N ATOM 0 H LYS A 53 -4.837 -3.433 -5.797 1.00 23.23 H new ATOM 0 HA LYS A 53 -5.061 -1.049 -7.383 1.00 45.15 H new ATOM 0 HB2 LYS A 53 -6.538 -2.129 -4.947 1.00 3.23 H new ATOM 0 HB3 LYS A 53 -6.904 -0.547 -5.607 1.00 3.23 H new ATOM 0 HG2 LYS A 53 -7.108 -3.157 -7.176 1.00 70.32 H new ATOM 0 HG3 LYS A 53 -8.458 -2.367 -6.388 1.00 70.32 H new ATOM 0 HD2 LYS A 53 -8.071 -0.330 -7.843 1.00 32.13 H new ATOM 0 HD3 LYS A 53 -6.789 -1.194 -8.669 1.00 32.13 H new ATOM 0 HE2 LYS A 53 -8.894 -1.303 -9.964 1.00 12.32 H new ATOM 0 HE3 LYS A 53 -8.393 -2.904 -9.458 1.00 12.32 H new ATOM 0 HZ1 LYS A 53 -10.854 -1.997 -9.131 1.00 23.12 H new ATOM 0 HZ2 LYS A 53 -10.155 -3.129 -8.076 1.00 23.12 H new ATOM 0 HZ3 LYS A 53 -10.201 -1.487 -7.649 1.00 23.12 H new ATOM 875 N PHE A 54 -3.843 -0.824 -4.299 1.00 65.44 N ATOM 876 CA PHE A 54 -3.039 0.019 -3.400 1.00 71.44 C ATOM 877 C PHE A 54 -1.701 0.343 -4.077 1.00 14.41 C ATOM 878 O PHE A 54 -1.300 1.493 -4.095 1.00 12.03 O ATOM 879 CB PHE A 54 -2.815 -0.632 -1.998 1.00 41.14 C ATOM 880 CG PHE A 54 -2.172 0.338 -0.982 1.00 74.34 C ATOM 881 CD1 PHE A 54 -2.957 1.211 -0.223 1.00 2.40 C ATOM 882 CD2 PHE A 54 -0.789 0.407 -0.824 1.00 24.25 C ATOM 883 CE1 PHE A 54 -2.380 2.124 0.647 1.00 32.35 C ATOM 884 CE2 PHE A 54 -0.212 1.327 0.037 1.00 73.40 C ATOM 885 CZ PHE A 54 -1.006 2.176 0.778 1.00 74.22 C ATOM 0 H PHE A 54 -4.007 -1.768 -3.950 1.00 65.44 H new ATOM 0 HA PHE A 54 -3.594 0.939 -3.217 1.00 71.44 H new ATOM 0 HB2 PHE A 54 -3.771 -0.979 -1.607 1.00 41.14 H new ATOM 0 HB3 PHE A 54 -2.178 -1.510 -2.108 1.00 41.14 H new ATOM 0 HD1 PHE A 54 -4.032 1.174 -0.316 1.00 2.40 H new ATOM 0 HD2 PHE A 54 -0.156 -0.268 -1.382 1.00 24.25 H new ATOM 0 HE1 PHE A 54 -3.004 2.793 1.221 1.00 32.35 H new ATOM 0 HE2 PHE A 54 0.863 1.379 0.128 1.00 73.40 H new ATOM 0 HZ PHE A 54 -0.554 2.881 1.460 1.00 74.22 H new ATOM 895 N ARG A 55 -1.045 -0.691 -4.656 1.00 3.44 N ATOM 896 CA ARG A 55 0.208 -0.532 -5.436 1.00 24.43 C ATOM 897 C ARG A 55 0.026 0.450 -6.619 1.00 34.01 C ATOM 898 O ARG A 55 0.931 1.210 -6.919 1.00 1.31 O ATOM 899 CB ARG A 55 0.710 -1.921 -5.952 1.00 74.51 C ATOM 900 CG ARG A 55 1.936 -1.893 -6.914 1.00 22.32 C ATOM 901 CD ARG A 55 3.223 -1.307 -6.288 1.00 42.10 C ATOM 902 NE ARG A 55 4.253 -1.044 -7.320 1.00 41.33 N ATOM 903 CZ ARG A 55 5.431 -1.627 -7.418 1.00 74.12 C ATOM 904 NH1 ARG A 55 5.799 -2.558 -6.609 1.00 32.22 N ATOM 905 NH2 ARG A 55 6.240 -1.276 -8.358 1.00 0.31 N ATOM 0 H ARG A 55 -1.368 -1.657 -4.596 1.00 3.44 H new ATOM 0 HA ARG A 55 0.959 -0.109 -4.769 1.00 24.43 H new ATOM 0 HB2 ARG A 55 0.965 -2.536 -5.089 1.00 74.51 H new ATOM 0 HB3 ARG A 55 -0.116 -2.416 -6.463 1.00 74.51 H new ATOM 0 HG2 ARG A 55 2.141 -2.909 -7.253 1.00 22.32 H new ATOM 0 HG3 ARG A 55 1.677 -1.309 -7.797 1.00 22.32 H new ATOM 0 HD2 ARG A 55 2.986 -0.381 -5.764 1.00 42.10 H new ATOM 0 HD3 ARG A 55 3.618 -2.001 -5.546 1.00 42.10 H new ATOM 0 HE ARG A 55 4.028 -0.342 -8.025 1.00 41.33 H new ATOM 0 HH11 ARG A 55 5.172 -2.865 -5.865 1.00 32.22 H new ATOM 0 HH12 ARG A 55 6.718 -2.989 -6.712 1.00 32.22 H new ATOM 0 HH21 ARG A 55 5.967 -0.551 -9.021 1.00 0.31 H new ATOM 0 HH22 ARG A 55 7.153 -1.724 -8.439 1.00 0.31 H new ATOM 919 N ASP A 56 -1.155 0.425 -7.268 1.00 52.34 N ATOM 920 CA ASP A 56 -1.444 1.270 -8.452 1.00 20.44 C ATOM 921 C ASP A 56 -1.513 2.775 -8.074 1.00 54.11 C ATOM 922 O ASP A 56 -0.852 3.603 -8.706 1.00 14.41 O ATOM 923 CB ASP A 56 -2.759 0.804 -9.121 1.00 32.22 C ATOM 924 CG ASP A 56 -3.015 1.479 -10.478 1.00 54.41 C ATOM 925 OD1 ASP A 56 -2.404 1.066 -11.485 1.00 12.42 O ATOM 926 OD2 ASP A 56 -3.810 2.436 -10.544 1.00 62.20 O ATOM 0 H ASP A 56 -1.932 -0.175 -6.992 1.00 52.34 H new ATOM 0 HA ASP A 56 -0.627 1.156 -9.164 1.00 20.44 H new ATOM 0 HB2 ASP A 56 -2.727 -0.277 -9.259 1.00 32.22 H new ATOM 0 HB3 ASP A 56 -3.594 1.015 -8.453 1.00 32.22 H new ATOM 931 N GLU A 57 -2.324 3.112 -7.046 1.00 32.32 N ATOM 932 CA GLU A 57 -2.437 4.503 -6.521 1.00 32.33 C ATOM 933 C GLU A 57 -1.087 4.978 -5.933 1.00 35.30 C ATOM 934 O GLU A 57 -0.627 6.084 -6.216 1.00 21.42 O ATOM 935 CB GLU A 57 -3.545 4.585 -5.437 1.00 40.24 C ATOM 936 CG GLU A 57 -3.782 5.991 -4.819 1.00 50.13 C ATOM 937 CD GLU A 57 -4.435 6.992 -5.794 1.00 41.11 C ATOM 938 OE1 GLU A 57 -3.712 7.693 -6.539 1.00 44.54 O ATOM 939 OE2 GLU A 57 -5.689 7.068 -5.825 1.00 74.24 O ATOM 0 H GLU A 57 -2.915 2.440 -6.557 1.00 32.32 H new ATOM 0 HA GLU A 57 -2.705 5.157 -7.350 1.00 32.33 H new ATOM 0 HB2 GLU A 57 -4.481 4.238 -5.874 1.00 40.24 H new ATOM 0 HB3 GLU A 57 -3.293 3.893 -4.633 1.00 40.24 H new ATOM 0 HG2 GLU A 57 -4.415 5.889 -3.938 1.00 50.13 H new ATOM 0 HG3 GLU A 57 -2.828 6.396 -4.481 1.00 50.13 H new ATOM 946 N MET A 58 -0.479 4.096 -5.119 1.00 32.53 N ATOM 947 CA MET A 58 0.834 4.312 -4.479 1.00 53.23 C ATOM 948 C MET A 58 1.942 4.641 -5.507 1.00 65.11 C ATOM 949 O MET A 58 2.740 5.562 -5.308 1.00 13.12 O ATOM 950 CB MET A 58 1.204 3.045 -3.667 1.00 52.13 C ATOM 951 CG MET A 58 2.507 3.155 -2.904 1.00 32.14 C ATOM 952 SD MET A 58 2.503 4.586 -1.823 1.00 13.42 S ATOM 953 CE MET A 58 4.245 4.787 -1.560 1.00 42.24 C ATOM 0 H MET A 58 -0.894 3.195 -4.882 1.00 32.53 H new ATOM 0 HA MET A 58 0.758 5.176 -3.819 1.00 53.23 H new ATOM 0 HB2 MET A 58 0.400 2.831 -2.962 1.00 52.13 H new ATOM 0 HB3 MET A 58 1.265 2.196 -4.348 1.00 52.13 H new ATOM 0 HG2 MET A 58 2.665 2.251 -2.315 1.00 32.14 H new ATOM 0 HG3 MET A 58 3.338 3.228 -3.606 1.00 32.14 H new ATOM 0 HE1 MET A 58 4.411 5.409 -0.681 1.00 42.24 H new ATOM 0 HE2 MET A 58 4.705 3.811 -1.406 1.00 42.24 H new ATOM 0 HE3 MET A 58 4.692 5.265 -2.432 1.00 42.24 H new ATOM 963 N GLU A 59 1.961 3.875 -6.607 1.00 11.22 N ATOM 964 CA GLU A 59 2.948 4.033 -7.689 1.00 34.40 C ATOM 965 C GLU A 59 2.644 5.281 -8.537 1.00 33.31 C ATOM 966 O GLU A 59 3.558 5.912 -9.050 1.00 70.03 O ATOM 967 CB GLU A 59 2.964 2.764 -8.573 1.00 53.44 C ATOM 968 CG GLU A 59 4.041 2.741 -9.670 1.00 11.11 C ATOM 969 CD GLU A 59 4.024 1.441 -10.485 1.00 0.34 C ATOM 970 OE1 GLU A 59 4.587 0.430 -10.012 1.00 24.50 O ATOM 971 OE2 GLU A 59 3.432 1.421 -11.586 1.00 14.41 O ATOM 0 H GLU A 59 1.290 3.125 -6.774 1.00 11.22 H new ATOM 0 HA GLU A 59 3.933 4.167 -7.243 1.00 34.40 H new ATOM 0 HB2 GLU A 59 3.105 1.895 -7.930 1.00 53.44 H new ATOM 0 HB3 GLU A 59 1.987 2.657 -9.044 1.00 53.44 H new ATOM 0 HG2 GLU A 59 3.890 3.588 -10.340 1.00 11.11 H new ATOM 0 HG3 GLU A 59 5.023 2.867 -9.213 1.00 11.11 H new ATOM 978 N GLN A 60 1.349 5.627 -8.669 1.00 2.14 N ATOM 979 CA GLN A 60 0.908 6.834 -9.407 1.00 73.10 C ATOM 980 C GLN A 60 1.428 8.124 -8.725 1.00 23.55 C ATOM 981 O GLN A 60 2.030 8.987 -9.382 1.00 73.24 O ATOM 982 CB GLN A 60 -0.646 6.864 -9.522 1.00 30.42 C ATOM 983 CG GLN A 60 -1.219 8.115 -10.228 1.00 53.11 C ATOM 984 CD GLN A 60 -2.747 8.087 -10.380 1.00 5.43 C ATOM 985 OE1 GLN A 60 -3.280 7.638 -11.393 1.00 41.23 O ATOM 986 NE2 GLN A 60 -3.464 8.556 -9.373 1.00 71.33 N ATOM 0 H GLN A 60 0.582 5.085 -8.272 1.00 2.14 H new ATOM 0 HA GLN A 60 1.330 6.790 -10.411 1.00 73.10 H new ATOM 0 HB2 GLN A 60 -0.974 5.976 -10.063 1.00 30.42 H new ATOM 0 HB3 GLN A 60 -1.072 6.802 -8.521 1.00 30.42 H new ATOM 0 HG2 GLN A 60 -0.934 9.003 -9.664 1.00 53.11 H new ATOM 0 HG3 GLN A 60 -0.765 8.205 -11.215 1.00 53.11 H new ATOM 0 HE21 GLN A 60 -2.999 8.923 -8.543 1.00 71.33 H new ATOM 0 HE22 GLN A 60 -4.483 8.550 -9.426 1.00 71.33 H new ATOM 995 N MET A 61 1.210 8.234 -7.396 1.00 72.40 N ATOM 996 CA MET A 61 1.642 9.412 -6.610 1.00 12.01 C ATOM 997 C MET A 61 3.168 9.398 -6.347 1.00 64.43 C ATOM 998 O MET A 61 3.744 10.432 -6.027 1.00 73.52 O ATOM 999 CB MET A 61 0.813 9.564 -5.306 1.00 34.13 C ATOM 1000 CG MET A 61 0.825 8.363 -4.364 1.00 44.41 C ATOM 1001 SD MET A 61 -0.287 8.598 -2.961 1.00 23.34 S ATOM 1002 CE MET A 61 -0.209 6.995 -2.172 1.00 24.24 C ATOM 0 H MET A 61 0.736 7.519 -6.844 1.00 72.40 H new ATOM 0 HA MET A 61 1.442 10.299 -7.211 1.00 12.01 H new ATOM 0 HB2 MET A 61 1.185 10.432 -4.761 1.00 34.13 H new ATOM 0 HB3 MET A 61 -0.221 9.777 -5.578 1.00 34.13 H new ATOM 0 HG2 MET A 61 0.533 7.468 -4.913 1.00 44.41 H new ATOM 0 HG3 MET A 61 1.839 8.197 -4.000 1.00 44.41 H new ATOM 0 HE1 MET A 61 -0.998 6.919 -1.424 1.00 24.24 H new ATOM 0 HE2 MET A 61 -0.342 6.214 -2.921 1.00 24.24 H new ATOM 0 HE3 MET A 61 0.761 6.874 -1.690 1.00 24.24 H new ATOM 1012 N TYR A 62 3.805 8.206 -6.450 1.00 74.43 N ATOM 1013 CA TYR A 62 5.286 8.087 -6.480 1.00 43.40 C ATOM 1014 C TYR A 62 5.862 8.592 -7.836 1.00 60.30 C ATOM 1015 O TYR A 62 6.914 9.229 -7.873 1.00 15.24 O ATOM 1016 CB TYR A 62 5.747 6.623 -6.214 1.00 41.54 C ATOM 1017 CG TYR A 62 7.262 6.425 -6.420 1.00 40.33 C ATOM 1018 CD1 TYR A 62 8.184 6.946 -5.510 1.00 30.33 C ATOM 1019 CD2 TYR A 62 7.768 5.778 -7.557 1.00 23.24 C ATOM 1020 CE1 TYR A 62 9.541 6.838 -5.731 1.00 21.02 C ATOM 1021 CE2 TYR A 62 9.126 5.658 -7.769 1.00 1.42 C ATOM 1022 CZ TYR A 62 10.007 6.192 -6.857 1.00 11.11 C ATOM 1023 OH TYR A 62 11.365 6.096 -7.078 1.00 22.11 O ATOM 0 H TYR A 62 3.317 7.312 -6.514 1.00 74.43 H new ATOM 0 HA TYR A 62 5.675 8.717 -5.680 1.00 43.40 H new ATOM 0 HB2 TYR A 62 5.485 6.344 -5.193 1.00 41.54 H new ATOM 0 HB3 TYR A 62 5.204 5.950 -6.878 1.00 41.54 H new ATOM 0 HD1 TYR A 62 7.829 7.442 -4.619 1.00 30.33 H new ATOM 0 HD2 TYR A 62 7.081 5.366 -8.281 1.00 23.24 H new ATOM 0 HE1 TYR A 62 10.239 7.259 -5.022 1.00 21.02 H new ATOM 0 HE2 TYR A 62 9.496 5.148 -8.646 1.00 1.42 H new ATOM 0 HH TYR A 62 11.527 5.611 -7.914 1.00 22.11 H new ATOM 1033 N LYS A 63 5.186 8.272 -8.948 1.00 64.21 N ATOM 1034 CA LYS A 63 5.583 8.772 -10.290 1.00 70.12 C ATOM 1035 C LYS A 63 5.331 10.295 -10.411 1.00 25.45 C ATOM 1036 O LYS A 63 5.952 10.978 -11.234 1.00 73.54 O ATOM 1037 CB LYS A 63 4.857 7.975 -11.416 1.00 32.34 C ATOM 1038 CG LYS A 63 5.373 6.522 -11.594 1.00 14.21 C ATOM 1039 CD LYS A 63 4.583 5.719 -12.658 1.00 31.40 C ATOM 1040 CE LYS A 63 5.156 4.301 -12.867 1.00 2.33 C ATOM 1041 NZ LYS A 63 4.346 3.488 -13.820 1.00 62.30 N ATOM 0 H LYS A 63 4.362 7.671 -8.955 1.00 64.21 H new ATOM 0 HA LYS A 63 6.654 8.610 -10.413 1.00 70.12 H new ATOM 0 HB2 LYS A 63 3.790 7.946 -11.196 1.00 32.34 H new ATOM 0 HB3 LYS A 63 4.974 8.509 -12.359 1.00 32.34 H new ATOM 0 HG2 LYS A 63 6.425 6.549 -11.876 1.00 14.21 H new ATOM 0 HG3 LYS A 63 5.313 6.002 -10.638 1.00 14.21 H new ATOM 0 HD2 LYS A 63 3.539 5.645 -12.353 1.00 31.40 H new ATOM 0 HD3 LYS A 63 4.601 6.259 -13.605 1.00 31.40 H new ATOM 0 HE2 LYS A 63 6.178 4.378 -13.238 1.00 2.33 H new ATOM 0 HE3 LYS A 63 5.203 3.787 -11.907 1.00 2.33 H new ATOM 0 HZ1 LYS A 63 3.910 2.691 -13.313 1.00 62.30 H new ATOM 0 HZ2 LYS A 63 3.601 4.082 -14.237 1.00 62.30 H new ATOM 0 HZ3 LYS A 63 4.961 3.123 -14.575 1.00 62.30 H new ATOM 1055 N ASP A 64 4.412 10.812 -9.573 1.00 64.20 N ATOM 1056 CA ASP A 64 4.157 12.260 -9.431 1.00 61.54 C ATOM 1057 C ASP A 64 5.136 12.909 -8.408 1.00 51.14 C ATOM 1058 O ASP A 64 5.533 14.067 -8.568 1.00 3.42 O ATOM 1059 CB ASP A 64 2.682 12.484 -9.010 1.00 53.12 C ATOM 1060 CG ASP A 64 2.285 13.969 -8.977 1.00 31.31 C ATOM 1061 OD1 ASP A 64 2.110 14.564 -10.064 1.00 54.34 O ATOM 1062 OD2 ASP A 64 2.164 14.550 -7.876 1.00 43.03 O ATOM 0 H ASP A 64 3.823 10.235 -8.973 1.00 64.20 H new ATOM 0 HA ASP A 64 4.331 12.744 -10.392 1.00 61.54 H new ATOM 0 HB2 ASP A 64 2.028 11.954 -9.703 1.00 53.12 H new ATOM 0 HB3 ASP A 64 2.521 12.049 -8.024 1.00 53.12 H new ATOM 1067 N ALA A 65 5.526 12.144 -7.370 1.00 61.21 N ATOM 1068 CA ALA A 65 6.444 12.607 -6.296 1.00 61.32 C ATOM 1069 C ALA A 65 7.535 11.530 -6.002 1.00 30.55 C ATOM 1070 O ALA A 65 7.371 10.703 -5.093 1.00 64.21 O ATOM 1071 CB ALA A 65 5.638 12.957 -5.022 1.00 24.15 C ATOM 0 H ALA A 65 5.214 11.181 -7.247 1.00 61.21 H new ATOM 0 HA ALA A 65 6.955 13.509 -6.632 1.00 61.32 H new ATOM 0 HB1 ALA A 65 6.320 13.295 -4.242 1.00 24.15 H new ATOM 0 HB2 ALA A 65 4.925 13.749 -5.249 1.00 24.15 H new ATOM 0 HB3 ALA A 65 5.101 12.073 -4.677 1.00 24.15 H new ATOM 1077 N PRO A 66 8.637 11.471 -6.827 1.00 43.15 N ATOM 1078 CA PRO A 66 9.726 10.471 -6.655 1.00 54.31 C ATOM 1079 C PRO A 66 10.578 10.713 -5.382 1.00 43.14 C ATOM 1080 O PRO A 66 11.388 11.647 -5.329 1.00 13.51 O ATOM 1081 CB PRO A 66 10.572 10.614 -7.961 1.00 14.21 C ATOM 1082 CG PRO A 66 9.698 11.402 -8.900 1.00 31.42 C ATOM 1083 CD PRO A 66 8.894 12.322 -8.014 1.00 41.11 C ATOM 0 HA PRO A 66 9.333 9.464 -6.512 1.00 54.31 H new ATOM 0 HB2 PRO A 66 11.513 11.130 -7.769 1.00 14.21 H new ATOM 0 HB3 PRO A 66 10.823 9.639 -8.379 1.00 14.21 H new ATOM 0 HG2 PRO A 66 10.297 11.967 -9.614 1.00 31.42 H new ATOM 0 HG3 PRO A 66 9.048 10.745 -9.478 1.00 31.42 H new ATOM 0 HD2 PRO A 66 9.448 13.224 -7.755 1.00 41.11 H new ATOM 0 HD3 PRO A 66 7.969 12.642 -8.493 1.00 41.11 H new ATOM 1091 N ASN A 67 10.355 9.880 -4.346 1.00 32.44 N ATOM 1092 CA ASN A 67 11.157 9.888 -3.094 1.00 64.22 C ATOM 1093 C ASN A 67 11.791 8.493 -2.865 1.00 13.01 C ATOM 1094 O ASN A 67 11.126 7.475 -3.070 1.00 31.54 O ATOM 1095 CB ASN A 67 10.275 10.278 -1.877 1.00 30.33 C ATOM 1096 CG ASN A 67 9.589 11.637 -2.038 1.00 42.32 C ATOM 1097 OD1 ASN A 67 10.135 12.671 -1.665 1.00 20.11 O ATOM 1098 ND2 ASN A 67 8.390 11.650 -2.596 1.00 73.34 N ATOM 0 H ASN A 67 9.614 9.179 -4.348 1.00 32.44 H new ATOM 0 HA ASN A 67 11.949 10.630 -3.196 1.00 64.22 H new ATOM 0 HB2 ASN A 67 9.515 9.511 -1.727 1.00 30.33 H new ATOM 0 HB3 ASN A 67 10.893 10.295 -0.979 1.00 30.33 H new ATOM 0 HD21 ASN A 67 7.897 12.534 -2.725 1.00 73.34 H new ATOM 0 HD22 ASN A 67 7.958 10.776 -2.897 1.00 73.34 H new ATOM 1105 N ALA A 68 13.069 8.464 -2.425 1.00 71.50 N ATOM 1106 CA ALA A 68 13.830 7.205 -2.184 1.00 31.22 C ATOM 1107 C ALA A 68 13.139 6.284 -1.149 1.00 52.35 C ATOM 1108 O ALA A 68 12.983 5.075 -1.377 1.00 43.40 O ATOM 1109 CB ALA A 68 15.266 7.538 -1.739 1.00 71.14 C ATOM 0 H ALA A 68 13.606 9.308 -2.226 1.00 71.50 H new ATOM 0 HA ALA A 68 13.859 6.654 -3.124 1.00 31.22 H new ATOM 0 HB1 ALA A 68 15.816 6.614 -1.565 1.00 71.14 H new ATOM 0 HB2 ALA A 68 15.764 8.115 -2.518 1.00 71.14 H new ATOM 0 HB3 ALA A 68 15.236 8.121 -0.819 1.00 71.14 H new ATOM 1115 N VAL A 69 12.718 6.886 -0.020 1.00 65.15 N ATOM 1116 CA VAL A 69 11.947 6.189 1.035 1.00 21.42 C ATOM 1117 C VAL A 69 10.607 5.654 0.480 1.00 23.12 C ATOM 1118 O VAL A 69 10.241 4.508 0.731 1.00 72.42 O ATOM 1119 CB VAL A 69 11.679 7.132 2.276 1.00 52.01 C ATOM 1120 CG1 VAL A 69 10.848 6.422 3.380 1.00 64.34 C ATOM 1121 CG2 VAL A 69 13.009 7.674 2.853 1.00 44.14 C ATOM 0 H VAL A 69 12.901 7.867 0.189 1.00 65.15 H new ATOM 0 HA VAL A 69 12.550 5.346 1.370 1.00 21.42 H new ATOM 0 HB VAL A 69 11.087 7.974 1.918 1.00 52.01 H new ATOM 0 HG11 VAL A 69 10.688 7.107 4.213 1.00 64.34 H new ATOM 0 HG12 VAL A 69 9.885 6.117 2.971 1.00 64.34 H new ATOM 0 HG13 VAL A 69 11.387 5.543 3.732 1.00 64.34 H new ATOM 0 HG21 VAL A 69 12.799 8.320 3.706 1.00 44.14 H new ATOM 0 HG22 VAL A 69 13.633 6.840 3.174 1.00 44.14 H new ATOM 0 HG23 VAL A 69 13.533 8.244 2.086 1.00 44.14 H new ATOM 1131 N MET A 70 9.921 6.481 -0.328 1.00 34.14 N ATOM 1132 CA MET A 70 8.587 6.153 -0.882 1.00 51.13 C ATOM 1133 C MET A 70 8.650 4.965 -1.886 1.00 22.24 C ATOM 1134 O MET A 70 7.675 4.218 -2.033 1.00 63.04 O ATOM 1135 CB MET A 70 7.967 7.431 -1.521 1.00 41.13 C ATOM 1136 CG MET A 70 6.477 7.330 -1.838 1.00 34.54 C ATOM 1137 SD MET A 70 5.710 8.901 -2.283 1.00 74.21 S ATOM 1138 CE MET A 70 3.965 8.450 -2.252 1.00 33.05 C ATOM 0 H MET A 70 10.271 7.394 -0.617 1.00 34.14 H new ATOM 0 HA MET A 70 7.940 5.821 -0.070 1.00 51.13 H new ATOM 0 HB2 MET A 70 8.124 8.271 -0.845 1.00 41.13 H new ATOM 0 HB3 MET A 70 8.505 7.658 -2.441 1.00 41.13 H new ATOM 0 HG2 MET A 70 6.338 6.625 -2.658 1.00 34.54 H new ATOM 0 HG3 MET A 70 5.959 6.918 -0.972 1.00 34.54 H new ATOM 0 HE1 MET A 70 3.366 9.288 -2.610 1.00 33.05 H new ATOM 0 HE2 MET A 70 3.801 7.586 -2.896 1.00 33.05 H new ATOM 0 HE3 MET A 70 3.671 8.204 -1.232 1.00 33.05 H new ATOM 1148 N GLU A 71 9.819 4.771 -2.540 1.00 60.03 N ATOM 1149 CA GLU A 71 10.046 3.623 -3.456 1.00 43.31 C ATOM 1150 C GLU A 71 10.209 2.294 -2.676 1.00 43.21 C ATOM 1151 O GLU A 71 9.852 1.224 -3.187 1.00 14.34 O ATOM 1152 CB GLU A 71 11.282 3.868 -4.362 1.00 1.45 C ATOM 1153 CG GLU A 71 11.464 2.809 -5.486 1.00 70.43 C ATOM 1154 CD GLU A 71 12.615 3.084 -6.473 1.00 34.13 C ATOM 1155 OE1 GLU A 71 13.505 3.909 -6.176 1.00 3.44 O ATOM 1156 OE2 GLU A 71 12.633 2.463 -7.558 1.00 64.23 O ATOM 0 H GLU A 71 10.622 5.394 -2.452 1.00 60.03 H new ATOM 0 HA GLU A 71 9.162 3.537 -4.088 1.00 43.31 H new ATOM 0 HB2 GLU A 71 11.196 4.855 -4.817 1.00 1.45 H new ATOM 0 HB3 GLU A 71 12.178 3.881 -3.741 1.00 1.45 H new ATOM 0 HG2 GLU A 71 11.630 1.837 -5.022 1.00 70.43 H new ATOM 0 HG3 GLU A 71 10.534 2.739 -6.050 1.00 70.43 H new ATOM 1163 N GLN A 72 10.753 2.374 -1.437 1.00 62.03 N ATOM 1164 CA GLN A 72 10.886 1.198 -0.534 1.00 22.14 C ATOM 1165 C GLN A 72 9.506 0.553 -0.262 1.00 25.41 C ATOM 1166 O GLN A 72 9.390 -0.669 -0.173 1.00 1.10 O ATOM 1167 CB GLN A 72 11.561 1.595 0.814 1.00 63.21 C ATOM 1168 CG GLN A 72 12.964 2.224 0.677 1.00 54.32 C ATOM 1169 CD GLN A 72 13.612 2.562 2.026 1.00 22.23 C ATOM 1170 OE1 GLN A 72 13.461 3.660 2.552 1.00 42.14 O ATOM 1171 NE2 GLN A 72 14.336 1.619 2.601 1.00 22.13 N ATOM 0 H GLN A 72 11.109 3.242 -1.037 1.00 62.03 H new ATOM 0 HA GLN A 72 11.522 0.470 -1.037 1.00 22.14 H new ATOM 0 HB2 GLN A 72 10.912 2.299 1.335 1.00 63.21 H new ATOM 0 HB3 GLN A 72 11.636 0.707 1.441 1.00 63.21 H new ATOM 0 HG2 GLN A 72 13.611 1.536 0.133 1.00 54.32 H new ATOM 0 HG3 GLN A 72 12.890 3.133 0.079 1.00 54.32 H new ATOM 0 HE21 GLN A 72 14.448 0.713 2.146 1.00 22.13 H new ATOM 0 HE22 GLN A 72 14.783 1.796 3.500 1.00 22.13 H new ATOM 1180 N LEU A 73 8.466 1.407 -0.155 1.00 21.12 N ATOM 1181 CA LEU A 73 7.071 0.964 0.040 1.00 60.12 C ATOM 1182 C LEU A 73 6.532 0.206 -1.193 1.00 53.44 C ATOM 1183 O LEU A 73 5.919 -0.847 -1.038 1.00 20.02 O ATOM 1184 CB LEU A 73 6.141 2.157 0.406 1.00 40.32 C ATOM 1185 CG LEU A 73 6.321 2.765 1.840 1.00 23.03 C ATOM 1186 CD1 LEU A 73 6.339 1.662 2.913 1.00 2.02 C ATOM 1187 CD2 LEU A 73 7.557 3.675 1.955 1.00 42.33 C ATOM 0 H LEU A 73 8.570 2.421 -0.201 1.00 21.12 H new ATOM 0 HA LEU A 73 7.073 0.269 0.879 1.00 60.12 H new ATOM 0 HB2 LEU A 73 6.299 2.951 -0.324 1.00 40.32 H new ATOM 0 HB3 LEU A 73 5.107 1.829 0.301 1.00 40.32 H new ATOM 0 HG LEU A 73 5.454 3.401 2.017 1.00 23.03 H new ATOM 0 HD11 LEU A 73 6.465 2.114 3.897 1.00 2.02 H new ATOM 0 HD12 LEU A 73 5.399 1.111 2.884 1.00 2.02 H new ATOM 0 HD13 LEU A 73 7.166 0.979 2.719 1.00 2.02 H new ATOM 0 HD21 LEU A 73 7.628 4.066 2.970 1.00 42.33 H new ATOM 0 HD22 LEU A 73 8.454 3.101 1.723 1.00 42.33 H new ATOM 0 HD23 LEU A 73 7.465 4.504 1.253 1.00 42.33 H new ATOM 1199 N LEU A 74 6.773 0.750 -2.410 1.00 62.21 N ATOM 1200 CA LEU A 74 6.447 0.054 -3.692 1.00 33.21 C ATOM 1201 C LEU A 74 7.059 -1.373 -3.713 1.00 44.21 C ATOM 1202 O LEU A 74 6.363 -2.363 -3.969 1.00 33.10 O ATOM 1203 CB LEU A 74 6.966 0.870 -4.925 1.00 64.33 C ATOM 1204 CG LEU A 74 6.027 1.987 -5.488 1.00 61.32 C ATOM 1205 CD1 LEU A 74 5.866 3.158 -4.504 1.00 13.42 C ATOM 1206 CD2 LEU A 74 6.531 2.480 -6.862 1.00 51.42 C ATOM 0 H LEU A 74 7.193 1.671 -2.538 1.00 62.21 H new ATOM 0 HA LEU A 74 5.362 -0.024 -3.758 1.00 33.21 H new ATOM 0 HB2 LEU A 74 7.914 1.332 -4.650 1.00 64.33 H new ATOM 0 HB3 LEU A 74 7.176 0.167 -5.731 1.00 64.33 H new ATOM 0 HG LEU A 74 5.039 1.546 -5.620 1.00 61.32 H new ATOM 0 HD11 LEU A 74 5.206 3.909 -4.937 1.00 13.42 H new ATOM 0 HD12 LEU A 74 5.437 2.793 -3.571 1.00 13.42 H new ATOM 0 HD13 LEU A 74 6.841 3.603 -4.305 1.00 13.42 H new ATOM 0 HD21 LEU A 74 5.864 3.257 -7.237 1.00 51.42 H new ATOM 0 HD22 LEU A 74 7.537 2.885 -6.756 1.00 51.42 H new ATOM 0 HD23 LEU A 74 6.548 1.646 -7.564 1.00 51.42 H new ATOM 1218 N GLU A 75 8.362 -1.430 -3.391 1.00 72.34 N ATOM 1219 CA GLU A 75 9.178 -2.666 -3.373 1.00 1.14 C ATOM 1220 C GLU A 75 8.573 -3.754 -2.443 1.00 55.43 C ATOM 1221 O GLU A 75 8.625 -4.957 -2.743 1.00 62.05 O ATOM 1222 CB GLU A 75 10.619 -2.290 -2.911 1.00 51.35 C ATOM 1223 CG GLU A 75 11.681 -3.402 -3.055 1.00 23.32 C ATOM 1224 CD GLU A 75 12.053 -3.702 -4.525 1.00 44.04 C ATOM 1225 OE1 GLU A 75 11.326 -4.462 -5.196 1.00 44.11 O ATOM 1226 OE2 GLU A 75 13.069 -3.162 -5.018 1.00 10.02 O ATOM 0 H GLU A 75 8.894 -0.600 -3.129 1.00 72.34 H new ATOM 0 HA GLU A 75 9.196 -3.093 -4.376 1.00 1.14 H new ATOM 0 HB2 GLU A 75 10.949 -1.422 -3.482 1.00 51.35 H new ATOM 0 HB3 GLU A 75 10.578 -1.986 -1.865 1.00 51.35 H new ATOM 0 HG2 GLU A 75 12.580 -3.110 -2.512 1.00 23.32 H new ATOM 0 HG3 GLU A 75 11.309 -4.314 -2.588 1.00 23.32 H new ATOM 1233 N GLU A 76 8.003 -3.299 -1.314 1.00 51.20 N ATOM 1234 CA GLU A 76 7.328 -4.163 -0.324 1.00 54.02 C ATOM 1235 C GLU A 76 5.977 -4.727 -0.853 1.00 74.21 C ATOM 1236 O GLU A 76 5.758 -5.944 -0.818 1.00 63.52 O ATOM 1237 CB GLU A 76 7.115 -3.359 0.991 1.00 12.04 C ATOM 1238 CG GLU A 76 8.404 -3.030 1.775 1.00 4.32 C ATOM 1239 CD GLU A 76 9.055 -4.271 2.416 1.00 52.23 C ATOM 1240 OE1 GLU A 76 8.675 -4.625 3.556 1.00 60.20 O ATOM 1241 OE2 GLU A 76 9.924 -4.914 1.780 1.00 3.33 O ATOM 0 H GLU A 76 7.997 -2.312 -1.058 1.00 51.20 H new ATOM 0 HA GLU A 76 7.967 -5.025 -0.132 1.00 54.02 H new ATOM 0 HB2 GLU A 76 6.607 -2.425 0.749 1.00 12.04 H new ATOM 0 HB3 GLU A 76 6.448 -3.926 1.641 1.00 12.04 H new ATOM 0 HG2 GLU A 76 9.120 -2.558 1.103 1.00 4.32 H new ATOM 0 HG3 GLU A 76 8.173 -2.305 2.555 1.00 4.32 H new ATOM 1248 N ILE A 77 5.093 -3.832 -1.368 1.00 4.33 N ATOM 1249 CA ILE A 77 3.717 -4.201 -1.830 1.00 40.11 C ATOM 1250 C ILE A 77 3.771 -5.201 -3.016 1.00 51.50 C ATOM 1251 O ILE A 77 2.896 -6.062 -3.162 1.00 21.33 O ATOM 1252 CB ILE A 77 2.898 -2.922 -2.267 1.00 50.33 C ATOM 1253 CG1 ILE A 77 2.960 -1.812 -1.175 1.00 63.53 C ATOM 1254 CG2 ILE A 77 1.418 -3.273 -2.579 1.00 3.53 C ATOM 1255 CD1 ILE A 77 2.546 -0.432 -1.656 1.00 60.22 C ATOM 0 H ILE A 77 5.306 -2.840 -1.476 1.00 4.33 H new ATOM 0 HA ILE A 77 3.215 -4.675 -0.986 1.00 40.11 H new ATOM 0 HB ILE A 77 3.362 -2.543 -3.178 1.00 50.33 H new ATOM 0 HG12 ILE A 77 2.317 -2.101 -0.344 1.00 63.53 H new ATOM 0 HG13 ILE A 77 3.977 -1.758 -0.787 1.00 63.53 H new ATOM 0 HG21 ILE A 77 0.885 -2.370 -2.876 1.00 3.53 H new ATOM 0 HG22 ILE A 77 1.380 -4.000 -3.390 1.00 3.53 H new ATOM 0 HG23 ILE A 77 0.949 -3.695 -1.690 1.00 3.53 H new ATOM 0 HD11 ILE A 77 2.619 0.278 -0.832 1.00 60.22 H new ATOM 0 HD12 ILE A 77 3.204 -0.117 -2.466 1.00 60.22 H new ATOM 0 HD13 ILE A 77 1.518 -0.465 -2.016 1.00 60.22 H new ATOM 1267 N GLU A 78 4.823 -5.056 -3.842 1.00 40.22 N ATOM 1268 CA GLU A 78 5.140 -5.966 -4.972 1.00 52.54 C ATOM 1269 C GLU A 78 5.184 -7.447 -4.523 1.00 12.53 C ATOM 1270 O GLU A 78 4.576 -8.332 -5.140 1.00 31.01 O ATOM 1271 CB GLU A 78 6.534 -5.566 -5.533 1.00 52.12 C ATOM 1272 CG GLU A 78 7.078 -6.468 -6.663 1.00 75.52 C ATOM 1273 CD GLU A 78 8.558 -6.192 -6.979 1.00 42.32 C ATOM 1274 OE1 GLU A 78 9.440 -6.742 -6.269 1.00 21.31 O ATOM 1275 OE2 GLU A 78 8.848 -5.414 -7.915 1.00 42.13 O ATOM 0 H GLU A 78 5.492 -4.292 -3.746 1.00 40.22 H new ATOM 0 HA GLU A 78 4.361 -5.871 -5.728 1.00 52.54 H new ATOM 0 HB2 GLU A 78 6.477 -4.543 -5.904 1.00 52.12 H new ATOM 0 HB3 GLU A 78 7.251 -5.568 -4.712 1.00 52.12 H new ATOM 0 HG2 GLU A 78 6.960 -7.513 -6.377 1.00 75.52 H new ATOM 0 HG3 GLU A 78 6.483 -6.315 -7.563 1.00 75.52 H new ATOM 1282 N LYS A 79 5.912 -7.678 -3.426 1.00 41.01 N ATOM 1283 CA LYS A 79 6.166 -9.021 -2.885 1.00 75.11 C ATOM 1284 C LYS A 79 4.917 -9.597 -2.183 1.00 54.53 C ATOM 1285 O LYS A 79 4.605 -10.766 -2.358 1.00 1.50 O ATOM 1286 CB LYS A 79 7.399 -8.958 -1.947 1.00 54.31 C ATOM 1287 CG LYS A 79 8.677 -8.484 -2.682 1.00 13.54 C ATOM 1288 CD LYS A 79 9.889 -8.251 -1.751 1.00 4.42 C ATOM 1289 CE LYS A 79 11.142 -7.809 -2.532 1.00 23.34 C ATOM 1290 NZ LYS A 79 10.876 -6.630 -3.399 1.00 1.45 N ATOM 0 H LYS A 79 6.346 -6.932 -2.882 1.00 41.01 H new ATOM 0 HA LYS A 79 6.386 -9.708 -3.702 1.00 75.11 H new ATOM 0 HB2 LYS A 79 7.188 -8.282 -1.119 1.00 54.31 H new ATOM 0 HB3 LYS A 79 7.575 -9.944 -1.517 1.00 54.31 H new ATOM 0 HG2 LYS A 79 8.947 -9.225 -3.434 1.00 13.54 H new ATOM 0 HG3 LYS A 79 8.456 -7.558 -3.212 1.00 13.54 H new ATOM 0 HD2 LYS A 79 9.637 -7.491 -1.011 1.00 4.42 H new ATOM 0 HD3 LYS A 79 10.108 -9.168 -1.204 1.00 4.42 H new ATOM 0 HE2 LYS A 79 11.940 -7.569 -1.830 1.00 23.34 H new ATOM 0 HE3 LYS A 79 11.496 -8.637 -3.146 1.00 23.34 H new ATOM 0 HZ1 LYS A 79 11.757 -6.095 -3.538 1.00 1.45 H new ATOM 0 HZ2 LYS A 79 10.517 -6.951 -4.321 1.00 1.45 H new ATOM 0 HZ3 LYS A 79 10.167 -6.018 -2.946 1.00 1.45 H new ATOM 1304 N LEU A 80 4.181 -8.754 -1.433 1.00 72.12 N ATOM 1305 CA LEU A 80 2.890 -9.154 -0.793 1.00 60.10 C ATOM 1306 C LEU A 80 1.824 -9.527 -1.857 1.00 13.34 C ATOM 1307 O LEU A 80 0.959 -10.377 -1.614 1.00 21.42 O ATOM 1308 CB LEU A 80 2.366 -8.031 0.160 1.00 50.33 C ATOM 1309 CG LEU A 80 2.997 -7.983 1.596 1.00 2.05 C ATOM 1310 CD1 LEU A 80 2.631 -9.242 2.413 1.00 41.23 C ATOM 1311 CD2 LEU A 80 4.526 -7.784 1.541 1.00 65.32 C ATOM 0 H LEU A 80 4.450 -7.788 -1.249 1.00 72.12 H new ATOM 0 HA LEU A 80 3.080 -10.043 -0.192 1.00 60.10 H new ATOM 0 HB2 LEU A 80 2.537 -7.068 -0.321 1.00 50.33 H new ATOM 0 HB3 LEU A 80 1.287 -8.148 0.265 1.00 50.33 H new ATOM 0 HG LEU A 80 2.572 -7.118 2.105 1.00 2.05 H new ATOM 0 HD11 LEU A 80 3.083 -9.178 3.403 1.00 41.23 H new ATOM 0 HD12 LEU A 80 1.548 -9.309 2.513 1.00 41.23 H new ATOM 0 HD13 LEU A 80 3.003 -10.129 1.901 1.00 41.23 H new ATOM 0 HD21 LEU A 80 4.926 -7.756 2.555 1.00 65.32 H new ATOM 0 HD22 LEU A 80 4.981 -8.610 0.994 1.00 65.32 H new ATOM 0 HD23 LEU A 80 4.753 -6.845 1.035 1.00 65.32 H new ATOM 1323 N LEU A 81 1.907 -8.880 -3.033 1.00 41.24 N ATOM 1324 CA LEU A 81 1.064 -9.201 -4.206 1.00 35.30 C ATOM 1325 C LEU A 81 1.423 -10.594 -4.788 1.00 14.32 C ATOM 1326 O LEU A 81 0.542 -11.336 -5.231 1.00 0.25 O ATOM 1327 CB LEU A 81 1.234 -8.090 -5.281 1.00 32.40 C ATOM 1328 CG LEU A 81 0.297 -8.173 -6.531 1.00 53.34 C ATOM 1329 CD1 LEU A 81 -1.194 -8.083 -6.128 1.00 34.15 C ATOM 1330 CD2 LEU A 81 0.661 -7.087 -7.572 1.00 2.03 C ATOM 0 H LEU A 81 2.562 -8.116 -3.201 1.00 41.24 H new ATOM 0 HA LEU A 81 0.021 -9.240 -3.893 1.00 35.30 H new ATOM 0 HB2 LEU A 81 1.076 -7.124 -4.801 1.00 32.40 H new ATOM 0 HB3 LEU A 81 2.267 -8.108 -5.628 1.00 32.40 H new ATOM 0 HG LEU A 81 0.452 -9.147 -6.995 1.00 53.34 H new ATOM 0 HD11 LEU A 81 -1.816 -8.144 -7.021 1.00 34.15 H new ATOM 0 HD12 LEU A 81 -1.440 -8.906 -5.457 1.00 34.15 H new ATOM 0 HD13 LEU A 81 -1.377 -7.135 -5.622 1.00 34.15 H new ATOM 0 HD21 LEU A 81 -0.006 -7.168 -8.430 1.00 2.03 H new ATOM 0 HD22 LEU A 81 0.554 -6.100 -7.121 1.00 2.03 H new ATOM 0 HD23 LEU A 81 1.691 -7.227 -7.899 1.00 2.03 H new ATOM 1342 N LYS A 82 2.730 -10.929 -4.771 1.00 14.23 N ATOM 1343 CA LYS A 82 3.242 -12.236 -5.247 1.00 34.54 C ATOM 1344 C LYS A 82 2.899 -13.390 -4.260 1.00 54.42 C ATOM 1345 O LYS A 82 2.615 -14.517 -4.685 1.00 61.03 O ATOM 1346 CB LYS A 82 4.774 -12.157 -5.493 1.00 14.33 C ATOM 1347 CG LYS A 82 5.387 -13.444 -6.102 1.00 50.03 C ATOM 1348 CD LYS A 82 6.899 -13.316 -6.396 1.00 40.13 C ATOM 1349 CE LYS A 82 7.501 -14.609 -6.979 1.00 54.01 C ATOM 1350 NZ LYS A 82 8.954 -14.471 -7.270 1.00 10.54 N ATOM 0 H LYS A 82 3.460 -10.305 -4.428 1.00 14.23 H new ATOM 0 HA LYS A 82 2.745 -12.462 -6.190 1.00 34.54 H new ATOM 0 HB2 LYS A 82 4.981 -11.319 -6.159 1.00 14.33 H new ATOM 0 HB3 LYS A 82 5.272 -11.943 -4.547 1.00 14.33 H new ATOM 0 HG2 LYS A 82 5.226 -14.276 -5.416 1.00 50.03 H new ATOM 0 HG3 LYS A 82 4.863 -13.687 -7.026 1.00 50.03 H new ATOM 0 HD2 LYS A 82 7.061 -12.496 -7.096 1.00 40.13 H new ATOM 0 HD3 LYS A 82 7.424 -13.058 -5.476 1.00 40.13 H new ATOM 0 HE2 LYS A 82 7.349 -15.428 -6.276 1.00 54.01 H new ATOM 0 HE3 LYS A 82 6.972 -14.873 -7.895 1.00 54.01 H new ATOM 0 HZ1 LYS A 82 9.316 -15.364 -7.660 1.00 10.54 H new ATOM 0 HZ2 LYS A 82 9.099 -13.707 -7.961 1.00 10.54 H new ATOM 0 HZ3 LYS A 82 9.464 -14.245 -6.392 1.00 10.54 H new ATOM 1364 N LYS A 83 2.946 -13.101 -2.944 1.00 32.24 N ATOM 1365 CA LYS A 83 2.587 -14.080 -1.885 1.00 13.31 C ATOM 1366 C LYS A 83 1.051 -14.354 -1.838 1.00 70.13 C ATOM 1367 O LYS A 83 0.631 -15.482 -1.553 1.00 31.31 O ATOM 1368 CB LYS A 83 3.108 -13.617 -0.479 1.00 44.51 C ATOM 1369 CG LYS A 83 4.568 -14.011 -0.122 1.00 21.23 C ATOM 1370 CD LYS A 83 5.643 -13.241 -0.914 1.00 2.55 C ATOM 1371 CE LYS A 83 7.072 -13.651 -0.527 1.00 21.54 C ATOM 1372 NZ LYS A 83 7.335 -15.086 -0.807 1.00 43.50 N ATOM 0 H LYS A 83 3.231 -12.191 -2.582 1.00 32.24 H new ATOM 0 HA LYS A 83 3.081 -15.017 -2.142 1.00 13.31 H new ATOM 0 HB2 LYS A 83 3.023 -12.532 -0.423 1.00 44.51 H new ATOM 0 HB3 LYS A 83 2.446 -14.028 0.283 1.00 44.51 H new ATOM 0 HG2 LYS A 83 4.728 -13.843 0.943 1.00 21.23 H new ATOM 0 HG3 LYS A 83 4.698 -15.079 -0.299 1.00 21.23 H new ATOM 0 HD2 LYS A 83 5.496 -13.414 -1.980 1.00 2.55 H new ATOM 0 HD3 LYS A 83 5.518 -12.172 -0.744 1.00 2.55 H new ATOM 0 HE2 LYS A 83 7.786 -13.038 -1.076 1.00 21.54 H new ATOM 0 HE3 LYS A 83 7.231 -13.453 0.533 1.00 21.54 H new ATOM 0 HZ1 LYS A 83 8.347 -15.285 -0.676 1.00 43.50 H new ATOM 0 HZ2 LYS A 83 6.779 -15.675 -0.154 1.00 43.50 H new ATOM 0 HZ3 LYS A 83 7.063 -15.304 -1.787 1.00 43.50 H new ATOM 1386 N ALA A 84 0.222 -13.317 -2.098 1.00 43.41 N ATOM 1387 CA ALA A 84 -1.266 -13.441 -2.072 1.00 54.32 C ATOM 1388 C ALA A 84 -1.849 -13.626 -3.492 1.00 35.25 C ATOM 1389 O ALA A 84 -1.784 -12.707 -4.318 1.00 10.12 O ATOM 1390 CB ALA A 84 -1.899 -12.214 -1.390 1.00 1.24 C ATOM 0 H ALA A 84 0.553 -12.380 -2.329 1.00 43.41 H new ATOM 0 HA ALA A 84 -1.510 -14.332 -1.494 1.00 54.32 H new ATOM 0 HB1 ALA A 84 -2.984 -12.322 -1.380 1.00 1.24 H new ATOM 0 HB2 ALA A 84 -1.533 -12.138 -0.366 1.00 1.24 H new ATOM 0 HB3 ALA A 84 -1.629 -11.312 -1.940 1.00 1.24 H new