USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 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 -147:sc= -0.207 (180deg=-0.439) USER MOD Set 1.2: A 70 MET CE :methyl -162:sc= 0 (180deg=-0.0605) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.0732 K(o=0.82,f=-3.5!) USER MOD Set 2.2: A 53 LYS NZ :NH3+ 132:sc= 0.892 (180deg=-0.317) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -115:sc= 1.14 (180deg=-0.00724) USER MOD Single : A 14 LYS NZ :NH3+ -123:sc= 0.0854 (180deg=-0.656) USER MOD Single : A 20 THR OG1 : rot -42:sc= 0.338 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= -1.82! (180deg=-3.2!) USER MOD Single : A 50 MET CE :methyl -176:sc= -1.12 (180deg=-1.17) USER MOD Single : A 60 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.098) USER MOD Single : A 61 MET CE :methyl 152:sc= -5.47! (180deg=-5.83!) USER MOD Single : A 62 TYR OH : rot 96:sc= 0.293 USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.061) USER MOD Single : A 67 ASN : amide:sc= -0.947 X(o=-0.95,f=-0.6) USER MOD Single : A 72 GLN : amide:sc= 0.381 X(o=0.38,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 141:sc= 1.07 (180deg=0.242) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 144:sc= -1.65! (180deg=-3.87!) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 7 0.339 -13.132 8.838 1.00 73.12 N ATOM 114 CA LYS A 7 1.601 -12.361 8.708 1.00 31.31 C ATOM 115 C LYS A 7 1.686 -11.620 7.344 1.00 34.54 C ATOM 116 O LYS A 7 2.351 -10.589 7.236 1.00 54.24 O ATOM 117 CB LYS A 7 2.826 -13.274 8.942 1.00 64.15 C ATOM 118 CG LYS A 7 2.888 -13.858 10.374 1.00 62.11 C ATOM 119 CD LYS A 7 4.234 -14.551 10.682 1.00 71.03 C ATOM 120 CE LYS A 7 4.324 -15.041 12.136 1.00 31.24 C ATOM 121 NZ LYS A 7 5.646 -15.659 12.444 1.00 11.22 N ATOM 0 HA LYS A 7 1.604 -11.593 9.482 1.00 31.31 H new ATOM 0 HB2 LYS A 7 2.803 -14.093 8.223 1.00 64.15 H new ATOM 0 HB3 LYS A 7 3.736 -12.706 8.749 1.00 64.15 H new ATOM 0 HG2 LYS A 7 2.724 -13.057 11.095 1.00 62.11 H new ATOM 0 HG3 LYS A 7 2.078 -14.575 10.504 1.00 62.11 H new ATOM 0 HD2 LYS A 7 4.366 -15.397 10.008 1.00 71.03 H new ATOM 0 HD3 LYS A 7 5.050 -13.856 10.485 1.00 71.03 H new ATOM 0 HE2 LYS A 7 4.151 -14.203 12.811 1.00 31.24 H new ATOM 0 HE3 LYS A 7 3.533 -15.768 12.322 1.00 31.24 H new ATOM 0 HZ1 LYS A 7 5.659 -15.974 13.435 1.00 11.22 H new ATOM 0 HZ2 LYS A 7 5.802 -16.476 11.819 1.00 11.22 H new ATOM 0 HZ3 LYS A 7 6.400 -14.959 12.293 1.00 11.22 H new ATOM 135 N LEU A 8 1.033 -12.183 6.311 1.00 14.34 N ATOM 136 CA LEU A 8 0.830 -11.519 4.992 1.00 50.11 C ATOM 137 C LEU A 8 -0.036 -10.242 5.187 1.00 52.01 C ATOM 138 O LEU A 8 0.293 -9.170 4.669 1.00 72.21 O ATOM 139 CB LEU A 8 0.170 -12.557 4.009 1.00 61.11 C ATOM 140 CG LEU A 8 0.028 -12.197 2.478 1.00 52.35 C ATOM 141 CD1 LEU A 8 -0.165 -13.476 1.626 1.00 64.51 C ATOM 142 CD2 LEU A 8 -1.133 -11.205 2.201 1.00 33.21 C ATOM 0 H LEU A 8 0.626 -13.117 6.359 1.00 14.34 H new ATOM 0 HA LEU A 8 1.777 -11.199 4.557 1.00 50.11 H new ATOM 0 HB2 LEU A 8 0.745 -13.481 4.075 1.00 61.11 H new ATOM 0 HB3 LEU A 8 -0.829 -12.775 4.387 1.00 61.11 H new ATOM 0 HG LEU A 8 0.957 -11.705 2.192 1.00 52.35 H new ATOM 0 HD11 LEU A 8 -0.260 -13.202 0.575 1.00 64.51 H new ATOM 0 HD12 LEU A 8 0.696 -14.132 1.753 1.00 64.51 H new ATOM 0 HD13 LEU A 8 -1.067 -13.996 1.949 1.00 64.51 H new ATOM 0 HD21 LEU A 8 -1.184 -10.993 1.133 1.00 33.21 H new ATOM 0 HD22 LEU A 8 -2.074 -11.646 2.529 1.00 33.21 H new ATOM 0 HD23 LEU A 8 -0.957 -10.278 2.747 1.00 33.21 H new ATOM 154 N LEU A 9 -1.135 -10.382 5.963 1.00 65.43 N ATOM 155 CA LEU A 9 -2.025 -9.251 6.339 1.00 2.52 C ATOM 156 C LEU A 9 -1.301 -8.236 7.261 1.00 13.30 C ATOM 157 O LEU A 9 -1.487 -7.031 7.129 1.00 33.11 O ATOM 158 CB LEU A 9 -3.300 -9.781 7.055 1.00 50.20 C ATOM 159 CG LEU A 9 -4.150 -10.831 6.270 1.00 71.33 C ATOM 160 CD1 LEU A 9 -5.362 -11.314 7.101 1.00 52.44 C ATOM 161 CD2 LEU A 9 -4.597 -10.297 4.890 1.00 2.13 C ATOM 0 H LEU A 9 -1.432 -11.279 6.347 1.00 65.43 H new ATOM 0 HA LEU A 9 -2.307 -8.739 5.419 1.00 2.52 H new ATOM 0 HB2 LEU A 9 -3.000 -10.225 8.004 1.00 50.20 H new ATOM 0 HB3 LEU A 9 -3.939 -8.930 7.289 1.00 50.20 H new ATOM 0 HG LEU A 9 -3.505 -11.691 6.091 1.00 71.33 H new ATOM 0 HD11 LEU A 9 -5.931 -12.043 6.524 1.00 52.44 H new ATOM 0 HD12 LEU A 9 -5.010 -11.776 8.024 1.00 52.44 H new ATOM 0 HD13 LEU A 9 -6.000 -10.464 7.341 1.00 52.44 H new ATOM 0 HD21 LEU A 9 -5.185 -11.059 4.378 1.00 2.13 H new ATOM 0 HD22 LEU A 9 -5.203 -9.401 5.025 1.00 2.13 H new ATOM 0 HD23 LEU A 9 -3.719 -10.054 4.292 1.00 2.13 H new ATOM 173 N GLU A 10 -0.478 -8.762 8.188 1.00 70.45 N ATOM 174 CA GLU A 10 0.274 -7.965 9.191 1.00 25.54 C ATOM 175 C GLU A 10 1.336 -7.081 8.510 1.00 14.54 C ATOM 176 O GLU A 10 1.517 -5.907 8.860 1.00 45.54 O ATOM 177 CB GLU A 10 0.959 -8.920 10.213 1.00 21.00 C ATOM 178 CG GLU A 10 1.731 -8.230 11.365 1.00 23.35 C ATOM 179 CD GLU A 10 0.824 -7.483 12.363 1.00 0.05 C ATOM 180 OE1 GLU A 10 0.537 -6.281 12.154 1.00 61.22 O ATOM 181 OE2 GLU A 10 0.388 -8.102 13.360 1.00 63.41 O ATOM 0 H GLU A 10 -0.311 -9.765 8.267 1.00 70.45 H new ATOM 0 HA GLU A 10 -0.429 -7.315 9.711 1.00 25.54 H new ATOM 0 HB2 GLU A 10 0.195 -9.565 10.647 1.00 21.00 H new ATOM 0 HB3 GLU A 10 1.651 -9.565 9.672 1.00 21.00 H new ATOM 0 HG2 GLU A 10 2.307 -8.981 11.905 1.00 23.35 H new ATOM 0 HG3 GLU A 10 2.445 -7.525 10.940 1.00 23.35 H new ATOM 188 N LYS A 11 2.046 -7.681 7.542 1.00 14.15 N ATOM 189 CA LYS A 11 3.049 -6.983 6.725 1.00 40.05 C ATOM 190 C LYS A 11 2.381 -5.901 5.860 1.00 0.14 C ATOM 191 O LYS A 11 2.861 -4.777 5.808 1.00 54.43 O ATOM 192 CB LYS A 11 3.826 -7.992 5.837 1.00 64.02 C ATOM 193 CG LYS A 11 4.940 -7.374 4.953 1.00 20.24 C ATOM 194 CD LYS A 11 5.988 -6.583 5.769 1.00 32.10 C ATOM 195 CE LYS A 11 7.155 -6.080 4.903 1.00 71.22 C ATOM 196 NZ LYS A 11 7.954 -7.198 4.333 1.00 41.44 N ATOM 0 H LYS A 11 1.940 -8.667 7.304 1.00 14.15 H new ATOM 0 HA LYS A 11 3.760 -6.497 7.393 1.00 40.05 H new ATOM 0 HB2 LYS A 11 4.274 -8.748 6.481 1.00 64.02 H new ATOM 0 HB3 LYS A 11 3.114 -8.505 5.190 1.00 64.02 H new ATOM 0 HG2 LYS A 11 5.442 -8.169 4.401 1.00 20.24 H new ATOM 0 HG3 LYS A 11 4.486 -6.712 4.216 1.00 20.24 H new ATOM 0 HD2 LYS A 11 5.503 -5.733 6.248 1.00 32.10 H new ATOM 0 HD3 LYS A 11 6.378 -7.218 6.565 1.00 32.10 H new ATOM 0 HE2 LYS A 11 6.765 -5.464 4.093 1.00 71.22 H new ATOM 0 HE3 LYS A 11 7.803 -5.442 5.504 1.00 71.22 H new ATOM 0 HZ1 LYS A 11 8.916 -7.174 4.729 1.00 41.44 H new ATOM 0 HZ2 LYS A 11 7.503 -8.104 4.572 1.00 41.44 H new ATOM 0 HZ3 LYS A 11 8.003 -7.098 3.299 1.00 41.44 H new ATOM 210 N LEU A 12 1.260 -6.259 5.209 1.00 14.02 N ATOM 211 CA LEU A 12 0.489 -5.335 4.344 1.00 13.14 C ATOM 212 C LEU A 12 0.008 -4.095 5.151 1.00 15.40 C ATOM 213 O LEU A 12 0.104 -2.955 4.678 1.00 0.05 O ATOM 214 CB LEU A 12 -0.695 -6.119 3.689 1.00 10.42 C ATOM 215 CG LEU A 12 -1.437 -5.451 2.474 1.00 42.01 C ATOM 216 CD1 LEU A 12 -2.478 -4.394 2.905 1.00 21.04 C ATOM 217 CD2 LEU A 12 -0.422 -4.864 1.462 1.00 4.22 C ATOM 0 H LEU A 12 0.859 -7.195 5.265 1.00 14.02 H new ATOM 0 HA LEU A 12 1.126 -4.953 3.547 1.00 13.14 H new ATOM 0 HB2 LEU A 12 -0.314 -7.085 3.358 1.00 10.42 H new ATOM 0 HB3 LEU A 12 -1.435 -6.317 4.465 1.00 10.42 H new ATOM 0 HG LEU A 12 -2.000 -6.243 1.980 1.00 42.01 H new ATOM 0 HD11 LEU A 12 -2.954 -3.971 2.021 1.00 21.04 H new ATOM 0 HD12 LEU A 12 -3.234 -4.863 3.535 1.00 21.04 H new ATOM 0 HD13 LEU A 12 -1.981 -3.601 3.464 1.00 21.04 H new ATOM 0 HD21 LEU A 12 -0.959 -4.408 0.631 1.00 4.22 H new ATOM 0 HD22 LEU A 12 0.190 -4.110 1.956 1.00 4.22 H new ATOM 0 HD23 LEU A 12 0.219 -5.661 1.086 1.00 4.22 H new ATOM 229 N GLU A 13 -0.480 -4.346 6.378 1.00 72.35 N ATOM 230 CA GLU A 13 -0.860 -3.288 7.340 1.00 53.11 C ATOM 231 C GLU A 13 0.339 -2.390 7.711 1.00 64.51 C ATOM 232 O GLU A 13 0.187 -1.175 7.807 1.00 61.02 O ATOM 233 CB GLU A 13 -1.487 -3.919 8.617 1.00 63.21 C ATOM 234 CG GLU A 13 -2.928 -4.434 8.431 1.00 20.35 C ATOM 235 CD GLU A 13 -3.968 -3.303 8.291 1.00 63.20 C ATOM 236 OE1 GLU A 13 -4.169 -2.786 7.169 1.00 34.42 O ATOM 237 OE2 GLU A 13 -4.576 -2.916 9.320 1.00 63.42 O ATOM 0 H GLU A 13 -0.624 -5.291 6.735 1.00 72.35 H new ATOM 0 HA GLU A 13 -1.603 -2.654 6.856 1.00 53.11 H new ATOM 0 HB2 GLU A 13 -0.858 -4.746 8.945 1.00 63.21 H new ATOM 0 HB3 GLU A 13 -1.480 -3.177 9.415 1.00 63.21 H new ATOM 0 HG2 GLU A 13 -2.968 -5.067 7.544 1.00 20.35 H new ATOM 0 HG3 GLU A 13 -3.195 -5.060 9.282 1.00 20.35 H new ATOM 244 N LYS A 14 1.523 -3.007 7.907 1.00 73.12 N ATOM 245 CA LYS A 14 2.767 -2.274 8.241 1.00 4.51 C ATOM 246 C LYS A 14 3.214 -1.357 7.078 1.00 72.40 C ATOM 247 O LYS A 14 3.617 -0.218 7.305 1.00 34.42 O ATOM 248 CB LYS A 14 3.909 -3.263 8.603 1.00 42.51 C ATOM 249 CG LYS A 14 5.203 -2.587 9.122 1.00 44.12 C ATOM 250 CD LYS A 14 6.322 -3.595 9.475 1.00 2.14 C ATOM 251 CE LYS A 14 7.557 -2.917 10.092 1.00 43.20 C ATOM 252 NZ LYS A 14 8.170 -1.915 9.181 1.00 2.20 N ATOM 0 H LYS A 14 1.646 -4.017 7.840 1.00 73.12 H new ATOM 0 HA LYS A 14 2.552 -1.648 9.107 1.00 4.51 H new ATOM 0 HB2 LYS A 14 3.546 -3.955 9.363 1.00 42.51 H new ATOM 0 HB3 LYS A 14 4.152 -3.856 7.721 1.00 42.51 H new ATOM 0 HG2 LYS A 14 5.572 -1.896 8.364 1.00 44.12 H new ATOM 0 HG3 LYS A 14 4.966 -1.994 10.006 1.00 44.12 H new ATOM 0 HD2 LYS A 14 5.932 -4.335 10.173 1.00 2.14 H new ATOM 0 HD3 LYS A 14 6.619 -4.132 8.574 1.00 2.14 H new ATOM 0 HE2 LYS A 14 7.272 -2.430 11.024 1.00 43.20 H new ATOM 0 HE3 LYS A 14 8.297 -3.677 10.343 1.00 43.20 H new ATOM 0 HZ1 LYS A 14 9.167 -2.160 9.016 1.00 2.20 H new ATOM 0 HZ2 LYS A 14 7.659 -1.911 8.275 1.00 2.20 H new ATOM 0 HZ3 LYS A 14 8.113 -0.971 9.614 1.00 2.20 H new ATOM 266 N ILE A 15 3.114 -1.869 5.833 1.00 11.11 N ATOM 267 CA ILE A 15 3.516 -1.124 4.619 1.00 71.44 C ATOM 268 C ILE A 15 2.652 0.147 4.461 1.00 54.41 C ATOM 269 O ILE A 15 3.179 1.247 4.448 1.00 32.53 O ATOM 270 CB ILE A 15 3.386 -2.003 3.315 1.00 4.52 C ATOM 271 CG1 ILE A 15 4.220 -3.320 3.424 1.00 72.04 C ATOM 272 CG2 ILE A 15 3.822 -1.200 2.064 1.00 10.22 C ATOM 273 CD1 ILE A 15 3.900 -4.358 2.358 1.00 3.50 C ATOM 0 H ILE A 15 2.755 -2.804 5.641 1.00 11.11 H new ATOM 0 HA ILE A 15 4.564 -0.851 4.743 1.00 71.44 H new ATOM 0 HB ILE A 15 2.336 -2.275 3.211 1.00 4.52 H new ATOM 0 HG12 ILE A 15 5.279 -3.071 3.364 1.00 72.04 H new ATOM 0 HG13 ILE A 15 4.052 -3.762 4.406 1.00 72.04 H new ATOM 0 HG21 ILE A 15 3.724 -1.826 1.177 1.00 10.22 H new ATOM 0 HG22 ILE A 15 3.189 -0.319 1.958 1.00 10.22 H new ATOM 0 HG23 ILE A 15 4.861 -0.889 2.175 1.00 10.22 H new ATOM 0 HD11 ILE A 15 4.524 -5.239 2.509 1.00 3.50 H new ATOM 0 HD12 ILE A 15 2.850 -4.641 2.429 1.00 3.50 H new ATOM 0 HD13 ILE A 15 4.097 -3.939 1.371 1.00 3.50 H new ATOM 285 N LEU A 16 1.315 -0.036 4.403 1.00 51.23 N ATOM 286 CA LEU A 16 0.332 1.071 4.223 1.00 45.33 C ATOM 287 C LEU A 16 0.378 2.083 5.403 1.00 51.44 C ATOM 288 O LEU A 16 0.130 3.282 5.217 1.00 63.14 O ATOM 289 CB LEU A 16 -1.107 0.496 4.015 1.00 50.24 C ATOM 290 CG LEU A 16 -1.466 0.009 2.562 1.00 13.44 C ATOM 291 CD1 LEU A 16 -0.459 -1.028 2.009 1.00 1.14 C ATOM 292 CD2 LEU A 16 -2.910 -0.548 2.504 1.00 21.23 C ATOM 0 H LEU A 16 0.879 -0.955 4.479 1.00 51.23 H new ATOM 0 HA LEU A 16 0.611 1.623 3.326 1.00 45.33 H new ATOM 0 HB2 LEU A 16 -1.241 -0.342 4.699 1.00 50.24 H new ATOM 0 HB3 LEU A 16 -1.826 1.262 4.305 1.00 50.24 H new ATOM 0 HG LEU A 16 -1.401 0.886 1.918 1.00 13.44 H new ATOM 0 HD11 LEU A 16 -0.759 -1.326 1.004 1.00 1.14 H new ATOM 0 HD12 LEU A 16 0.537 -0.586 1.974 1.00 1.14 H new ATOM 0 HD13 LEU A 16 -0.445 -1.903 2.658 1.00 1.14 H new ATOM 0 HD21 LEU A 16 -3.132 -0.877 1.489 1.00 21.23 H new ATOM 0 HD22 LEU A 16 -3.002 -1.392 3.188 1.00 21.23 H new ATOM 0 HD23 LEU A 16 -3.613 0.233 2.794 1.00 21.23 H new ATOM 304 N ASP A 17 0.713 1.580 6.603 1.00 65.04 N ATOM 305 CA ASP A 17 0.995 2.409 7.798 1.00 53.24 C ATOM 306 C ASP A 17 2.196 3.365 7.548 1.00 43.51 C ATOM 307 O ASP A 17 2.149 4.548 7.895 1.00 5.22 O ATOM 308 CB ASP A 17 1.275 1.467 8.998 1.00 44.23 C ATOM 309 CG ASP A 17 1.705 2.174 10.288 1.00 14.52 C ATOM 310 OD1 ASP A 17 0.839 2.732 10.987 1.00 35.43 O ATOM 311 OD2 ASP A 17 2.915 2.176 10.608 1.00 40.45 O ATOM 0 H ASP A 17 0.798 0.579 6.777 1.00 65.04 H new ATOM 0 HA ASP A 17 0.130 3.035 8.018 1.00 53.24 H new ATOM 0 HB2 ASP A 17 0.376 0.886 9.202 1.00 44.23 H new ATOM 0 HB3 ASP A 17 2.054 0.760 8.712 1.00 44.23 H new ATOM 316 N GLU A 18 3.262 2.822 6.938 1.00 24.51 N ATOM 317 CA GLU A 18 4.489 3.586 6.613 1.00 64.34 C ATOM 318 C GLU A 18 4.335 4.431 5.314 1.00 24.03 C ATOM 319 O GLU A 18 5.071 5.397 5.133 1.00 60.32 O ATOM 320 CB GLU A 18 5.692 2.612 6.493 1.00 13.13 C ATOM 321 CG GLU A 18 6.002 1.817 7.782 1.00 1.23 C ATOM 322 CD GLU A 18 7.155 0.806 7.617 1.00 32.34 C ATOM 323 OE1 GLU A 18 6.945 -0.265 7.009 1.00 43.00 O ATOM 324 OE2 GLU A 18 8.276 1.067 8.109 1.00 1.13 O ATOM 0 H GLU A 18 3.303 1.843 6.654 1.00 24.51 H new ATOM 0 HA GLU A 18 4.668 4.291 7.425 1.00 64.34 H new ATOM 0 HB2 GLU A 18 5.494 1.908 5.685 1.00 13.13 H new ATOM 0 HB3 GLU A 18 6.578 3.181 6.210 1.00 13.13 H new ATOM 0 HG2 GLU A 18 6.253 2.516 8.579 1.00 1.23 H new ATOM 0 HG3 GLU A 18 5.104 1.285 8.096 1.00 1.23 H new ATOM 331 N VAL A 19 3.398 4.049 4.410 1.00 44.23 N ATOM 332 CA VAL A 19 3.132 4.804 3.147 1.00 13.50 C ATOM 333 C VAL A 19 2.401 6.144 3.449 1.00 2.35 C ATOM 334 O VAL A 19 2.698 7.168 2.824 1.00 5.03 O ATOM 335 CB VAL A 19 2.307 3.948 2.087 1.00 23.54 C ATOM 336 CG1 VAL A 19 1.960 4.766 0.819 1.00 73.34 C ATOM 337 CG2 VAL A 19 3.065 2.664 1.672 1.00 54.41 C ATOM 0 H VAL A 19 2.811 3.223 4.527 1.00 44.23 H new ATOM 0 HA VAL A 19 4.102 5.021 2.700 1.00 13.50 H new ATOM 0 HB VAL A 19 1.379 3.668 2.586 1.00 23.54 H new ATOM 0 HG11 VAL A 19 1.398 4.141 0.125 1.00 73.34 H new ATOM 0 HG12 VAL A 19 1.358 5.631 1.097 1.00 73.34 H new ATOM 0 HG13 VAL A 19 2.880 5.103 0.340 1.00 73.34 H new ATOM 0 HG21 VAL A 19 2.469 2.108 0.948 1.00 54.41 H new ATOM 0 HG22 VAL A 19 4.021 2.935 1.224 1.00 54.41 H new ATOM 0 HG23 VAL A 19 3.239 2.044 2.551 1.00 54.41 H new ATOM 347 N THR A 20 1.464 6.126 4.429 1.00 13.15 N ATOM 348 CA THR A 20 0.746 7.352 4.884 1.00 21.05 C ATOM 349 C THR A 20 1.734 8.402 5.456 1.00 41.05 C ATOM 350 O THR A 20 1.768 9.545 5.007 1.00 10.32 O ATOM 351 CB THR A 20 -0.355 7.046 5.966 1.00 14.51 C ATOM 352 OG1 THR A 20 0.227 6.410 7.111 1.00 52.12 O ATOM 353 CG2 THR A 20 -1.501 6.173 5.425 1.00 63.05 C ATOM 0 H THR A 20 1.185 5.278 4.922 1.00 13.15 H new ATOM 0 HA THR A 20 0.252 7.752 3.998 1.00 21.05 H new ATOM 0 HB THR A 20 -0.781 8.009 6.249 1.00 14.51 H new ATOM 0 HG1 THR A 20 0.875 5.736 6.817 1.00 52.12 H new ATOM 0 HG21 THR A 20 -2.229 5.996 6.217 1.00 63.05 H new ATOM 0 HG22 THR A 20 -1.986 6.684 4.594 1.00 63.05 H new ATOM 0 HG23 THR A 20 -1.101 5.219 5.081 1.00 63.05 H new ATOM 361 N ASP A 21 2.547 7.987 6.442 1.00 12.43 N ATOM 362 CA ASP A 21 3.599 8.849 7.046 1.00 73.22 C ATOM 363 C ASP A 21 4.803 9.079 6.088 1.00 60.02 C ATOM 364 O ASP A 21 5.579 10.025 6.274 1.00 12.41 O ATOM 365 CB ASP A 21 4.066 8.232 8.384 1.00 64.04 C ATOM 366 CG ASP A 21 2.947 8.234 9.436 1.00 23.33 C ATOM 367 OD1 ASP A 21 2.086 7.330 9.405 1.00 20.23 O ATOM 368 OD2 ASP A 21 2.908 9.156 10.283 1.00 44.15 O ATOM 0 H ASP A 21 2.501 7.052 6.847 1.00 12.43 H new ATOM 0 HA ASP A 21 3.163 9.831 7.230 1.00 73.22 H new ATOM 0 HB2 ASP A 21 4.403 7.209 8.214 1.00 64.04 H new ATOM 0 HB3 ASP A 21 4.922 8.791 8.763 1.00 64.04 H new ATOM 373 N GLY A 22 4.942 8.201 5.078 1.00 55.10 N ATOM 374 CA GLY A 22 5.943 8.358 4.004 1.00 55.44 C ATOM 375 C GLY A 22 5.508 9.370 2.939 1.00 73.32 C ATOM 376 O GLY A 22 6.326 9.821 2.125 1.00 22.14 O ATOM 0 H GLY A 22 4.366 7.365 4.982 1.00 55.10 H new ATOM 0 HA2 GLY A 22 6.890 8.677 4.439 1.00 55.44 H new ATOM 0 HA3 GLY A 22 6.119 7.392 3.532 1.00 55.44 H new ATOM 380 N ALA A 23 4.203 9.706 2.930 1.00 74.51 N ATOM 381 CA ALA A 23 3.646 10.765 2.074 1.00 14.23 C ATOM 382 C ALA A 23 4.070 12.171 2.597 1.00 24.13 C ATOM 383 O ALA A 23 3.846 12.478 3.775 1.00 11.43 O ATOM 384 CB ALA A 23 2.130 10.648 2.023 1.00 15.43 C ATOM 0 H ALA A 23 3.507 9.248 3.518 1.00 74.51 H new ATOM 0 HA ALA A 23 4.041 10.645 1.065 1.00 14.23 H new ATOM 0 HB1 ALA A 23 1.725 11.436 1.387 1.00 15.43 H new ATOM 0 HB2 ALA A 23 1.854 9.675 1.616 1.00 15.43 H new ATOM 0 HB3 ALA A 23 1.723 10.749 3.029 1.00 15.43 H new ATOM 390 N PRO A 24 4.666 13.054 1.733 1.00 52.04 N ATOM 391 CA PRO A 24 5.256 14.345 2.187 1.00 33.14 C ATOM 392 C PRO A 24 4.202 15.442 2.530 1.00 54.23 C ATOM 393 O PRO A 24 4.410 16.229 3.463 1.00 11.45 O ATOM 394 CB PRO A 24 6.155 14.743 0.993 1.00 53.45 C ATOM 395 CG PRO A 24 5.473 14.160 -0.205 1.00 62.25 C ATOM 396 CD PRO A 24 4.810 12.872 0.262 1.00 72.44 C ATOM 0 HA PRO A 24 5.795 14.241 3.129 1.00 33.14 H new ATOM 0 HB2 PRO A 24 6.246 15.826 0.909 1.00 53.45 H new ATOM 0 HB3 PRO A 24 7.164 14.346 1.107 1.00 53.45 H new ATOM 0 HG2 PRO A 24 4.734 14.853 -0.607 1.00 62.25 H new ATOM 0 HG3 PRO A 24 6.190 13.961 -1.002 1.00 62.25 H new ATOM 0 HD2 PRO A 24 3.843 12.724 -0.218 1.00 72.44 H new ATOM 0 HD3 PRO A 24 5.420 12.000 0.025 1.00 72.44 H new ATOM 404 N ASP A 25 3.075 15.498 1.774 1.00 55.42 N ATOM 405 CA ASP A 25 1.965 16.440 2.065 1.00 11.22 C ATOM 406 C ASP A 25 0.630 15.977 1.418 1.00 73.12 C ATOM 407 O ASP A 25 -0.110 15.180 2.014 1.00 62.14 O ATOM 408 CB ASP A 25 2.349 17.891 1.639 1.00 54.21 C ATOM 409 CG ASP A 25 1.273 18.941 1.977 1.00 43.04 C ATOM 410 OD1 ASP A 25 1.132 19.303 3.167 1.00 33.10 O ATOM 411 OD2 ASP A 25 0.556 19.404 1.059 1.00 32.53 O ATOM 0 H ASP A 25 2.912 14.904 0.961 1.00 55.42 H new ATOM 0 HA ASP A 25 1.801 16.443 3.143 1.00 11.22 H new ATOM 0 HB2 ASP A 25 3.282 18.169 2.129 1.00 54.21 H new ATOM 0 HB3 ASP A 25 2.536 17.908 0.565 1.00 54.21 H new ATOM 416 N GLU A 26 0.353 16.430 0.171 1.00 11.10 N ATOM 417 CA GLU A 26 -0.973 16.252 -0.477 1.00 33.12 C ATOM 418 C GLU A 26 -1.167 14.854 -1.109 1.00 13.10 C ATOM 419 O GLU A 26 -2.134 14.638 -1.835 1.00 73.44 O ATOM 420 CB GLU A 26 -1.206 17.362 -1.538 1.00 50.34 C ATOM 421 CG GLU A 26 -0.191 17.377 -2.702 1.00 2.52 C ATOM 422 CD GLU A 26 -0.574 18.360 -3.818 1.00 33.45 C ATOM 423 OE1 GLU A 26 -0.380 19.582 -3.646 1.00 34.44 O ATOM 424 OE2 GLU A 26 -1.101 17.918 -4.862 1.00 25.40 O ATOM 0 H GLU A 26 1.032 16.923 -0.409 1.00 11.10 H new ATOM 0 HA GLU A 26 -1.717 16.336 0.315 1.00 33.12 H new ATOM 0 HB2 GLU A 26 -2.208 17.244 -1.951 1.00 50.34 H new ATOM 0 HB3 GLU A 26 -1.179 18.331 -1.040 1.00 50.34 H new ATOM 0 HG2 GLU A 26 0.793 17.640 -2.315 1.00 2.52 H new ATOM 0 HG3 GLU A 26 -0.111 16.374 -3.120 1.00 2.52 H new ATOM 431 N ALA A 27 -0.242 13.914 -0.844 1.00 12.43 N ATOM 432 CA ALA A 27 -0.406 12.496 -1.227 1.00 32.03 C ATOM 433 C ALA A 27 -1.150 11.702 -0.132 1.00 13.13 C ATOM 434 O ALA A 27 -1.882 10.755 -0.438 1.00 13.12 O ATOM 435 CB ALA A 27 0.965 11.855 -1.518 1.00 4.31 C ATOM 0 H ALA A 27 0.635 14.112 -0.362 1.00 12.43 H new ATOM 0 HA ALA A 27 -1.009 12.462 -2.134 1.00 32.03 H new ATOM 0 HB1 ALA A 27 0.826 10.811 -1.799 1.00 4.31 H new ATOM 0 HB2 ALA A 27 1.450 12.389 -2.335 1.00 4.31 H new ATOM 0 HB3 ALA A 27 1.590 11.911 -0.626 1.00 4.31 H new ATOM 441 N ARG A 28 -0.988 12.134 1.141 1.00 72.14 N ATOM 442 CA ARG A 28 -1.386 11.335 2.323 1.00 14.22 C ATOM 443 C ARG A 28 -2.901 11.057 2.409 1.00 72.30 C ATOM 444 O ARG A 28 -3.290 9.939 2.713 1.00 73.41 O ATOM 445 CB ARG A 28 -0.895 11.999 3.644 1.00 43.24 C ATOM 446 CG ARG A 28 -1.078 11.090 4.882 1.00 51.42 C ATOM 447 CD ARG A 28 -0.487 11.657 6.181 1.00 71.31 C ATOM 448 NE ARG A 28 -0.487 10.641 7.253 1.00 73.04 N ATOM 449 CZ ARG A 28 0.059 10.784 8.440 1.00 15.43 C ATOM 450 NH1 ARG A 28 0.505 11.931 8.848 1.00 71.14 N ATOM 451 NH2 ARG A 28 0.101 9.776 9.246 1.00 34.12 N ATOM 0 H ARG A 28 -0.581 13.039 1.376 1.00 72.14 H new ATOM 0 HA ARG A 28 -0.897 10.370 2.193 1.00 14.22 H new ATOM 0 HB2 ARG A 28 0.159 12.259 3.544 1.00 43.24 H new ATOM 0 HB3 ARG A 28 -1.439 12.930 3.800 1.00 43.24 H new ATOM 0 HG2 ARG A 28 -2.143 10.910 5.030 1.00 51.42 H new ATOM 0 HG3 ARG A 28 -0.616 10.124 4.679 1.00 51.42 H new ATOM 0 HD2 ARG A 28 0.532 12.000 6.001 1.00 71.31 H new ATOM 0 HD3 ARG A 28 -1.065 12.525 6.498 1.00 71.31 H new ATOM 0 HE ARG A 28 -0.950 9.754 7.056 1.00 73.04 H new ATOM 0 HH11 ARG A 28 0.436 12.749 8.243 1.00 71.14 H new ATOM 0 HH12 ARG A 28 0.924 12.015 9.774 1.00 71.14 H new ATOM 0 HH21 ARG A 28 -0.288 8.878 8.960 1.00 34.12 H new ATOM 0 HH22 ARG A 28 0.523 9.878 10.169 1.00 34.12 H new ATOM 465 N GLU A 29 -3.731 12.071 2.131 1.00 45.34 N ATOM 466 CA GLU A 29 -5.216 11.976 2.261 1.00 13.31 C ATOM 467 C GLU A 29 -5.831 10.919 1.296 1.00 71.44 C ATOM 468 O GLU A 29 -6.874 10.322 1.594 1.00 41.22 O ATOM 469 CB GLU A 29 -5.841 13.379 2.039 1.00 25.41 C ATOM 470 CG GLU A 29 -5.337 14.448 3.035 1.00 32.31 C ATOM 471 CD GLU A 29 -5.834 15.868 2.716 1.00 10.43 C ATOM 472 OE1 GLU A 29 -7.015 16.172 2.994 1.00 15.43 O ATOM 473 OE2 GLU A 29 -5.048 16.685 2.186 1.00 31.31 O ATOM 0 H GLU A 29 -3.407 12.983 1.810 1.00 45.34 H new ATOM 0 HA GLU A 29 -5.449 11.633 3.269 1.00 13.31 H new ATOM 0 HB2 GLU A 29 -5.621 13.709 1.024 1.00 25.41 H new ATOM 0 HB3 GLU A 29 -6.925 13.301 2.121 1.00 25.41 H new ATOM 0 HG2 GLU A 29 -5.659 14.177 4.040 1.00 32.31 H new ATOM 0 HG3 GLU A 29 -4.247 14.445 3.038 1.00 32.31 H new ATOM 480 N ARG A 30 -5.161 10.690 0.150 1.00 5.42 N ATOM 481 CA ARG A 30 -5.513 9.603 -0.793 1.00 21.43 C ATOM 482 C ARG A 30 -5.206 8.230 -0.149 1.00 0.33 C ATOM 483 O ARG A 30 -6.026 7.300 -0.175 1.00 43.31 O ATOM 484 CB ARG A 30 -4.700 9.762 -2.117 1.00 3.24 C ATOM 485 CG ARG A 30 -5.132 8.819 -3.267 1.00 73.10 C ATOM 486 CD ARG A 30 -4.202 8.893 -4.501 1.00 34.34 C ATOM 487 NE ARG A 30 -4.020 10.275 -4.990 1.00 13.24 N ATOM 488 CZ ARG A 30 -4.256 10.712 -6.210 1.00 73.31 C ATOM 489 NH1 ARG A 30 -4.783 9.959 -7.118 1.00 51.12 N ATOM 490 NH2 ARG A 30 -3.967 11.932 -6.512 1.00 43.02 N ATOM 0 H ARG A 30 -4.363 11.249 -0.150 1.00 5.42 H new ATOM 0 HA ARG A 30 -6.577 9.661 -1.021 1.00 21.43 H new ATOM 0 HB2 ARG A 30 -4.790 10.793 -2.459 1.00 3.24 H new ATOM 0 HB3 ARG A 30 -3.646 9.588 -1.901 1.00 3.24 H new ATOM 0 HG2 ARG A 30 -5.154 7.794 -2.898 1.00 73.10 H new ATOM 0 HG3 ARG A 30 -6.148 9.070 -3.571 1.00 73.10 H new ATOM 0 HD2 ARG A 30 -3.230 8.471 -4.245 1.00 34.34 H new ATOM 0 HD3 ARG A 30 -4.616 8.279 -5.301 1.00 34.34 H new ATOM 0 HE ARG A 30 -3.677 10.959 -4.316 1.00 13.24 H new ATOM 0 HH11 ARG A 30 -5.030 8.994 -6.900 1.00 51.12 H new ATOM 0 HH12 ARG A 30 -4.952 10.330 -8.053 1.00 51.12 H new ATOM 0 HH21 ARG A 30 -3.560 12.549 -5.809 1.00 43.02 H new ATOM 0 HH22 ARG A 30 -4.146 12.280 -7.454 1.00 43.02 H new ATOM 504 N ILE A 31 -4.001 8.151 0.444 1.00 71.32 N ATOM 505 CA ILE A 31 -3.487 6.940 1.113 1.00 22.33 C ATOM 506 C ILE A 31 -4.296 6.600 2.404 1.00 31.41 C ATOM 507 O ILE A 31 -4.457 5.423 2.736 1.00 31.22 O ATOM 508 CB ILE A 31 -1.948 7.113 1.448 1.00 5.02 C ATOM 509 CG1 ILE A 31 -1.186 7.653 0.200 1.00 23.04 C ATOM 510 CG2 ILE A 31 -1.331 5.775 1.925 1.00 21.21 C ATOM 511 CD1 ILE A 31 0.270 8.013 0.428 1.00 21.33 C ATOM 0 H ILE A 31 -3.349 8.935 0.473 1.00 71.32 H new ATOM 0 HA ILE A 31 -3.610 6.103 0.425 1.00 22.33 H new ATOM 0 HB ILE A 31 -1.851 7.835 2.259 1.00 5.02 H new ATOM 0 HG12 ILE A 31 -1.237 6.902 -0.588 1.00 23.04 H new ATOM 0 HG13 ILE A 31 -1.707 8.537 -0.168 1.00 23.04 H new ATOM 0 HG21 ILE A 31 -0.274 5.921 2.148 1.00 21.21 H new ATOM 0 HG22 ILE A 31 -1.848 5.435 2.822 1.00 21.21 H new ATOM 0 HG23 ILE A 31 -1.436 5.026 1.140 1.00 21.21 H new ATOM 0 HD11 ILE A 31 0.705 8.377 -0.503 1.00 21.33 H new ATOM 0 HD12 ILE A 31 0.338 8.791 1.189 1.00 21.33 H new ATOM 0 HD13 ILE A 31 0.815 7.130 0.762 1.00 21.33 H new ATOM 523 N GLU A 32 -4.810 7.643 3.109 1.00 52.14 N ATOM 524 CA GLU A 32 -5.612 7.480 4.351 1.00 72.11 C ATOM 525 C GLU A 32 -6.906 6.692 4.063 1.00 64.15 C ATOM 526 O GLU A 32 -7.121 5.614 4.627 1.00 1.53 O ATOM 527 CB GLU A 32 -5.995 8.873 4.963 1.00 51.44 C ATOM 528 CG GLU A 32 -4.830 9.704 5.546 1.00 32.42 C ATOM 529 CD GLU A 32 -4.169 9.074 6.787 1.00 2.51 C ATOM 530 OE1 GLU A 32 -4.890 8.716 7.743 1.00 34.45 O ATOM 531 OE2 GLU A 32 -2.932 8.958 6.822 1.00 14.12 O ATOM 0 H GLU A 32 -4.681 8.616 2.833 1.00 52.14 H new ATOM 0 HA GLU A 32 -4.998 6.931 5.064 1.00 72.11 H new ATOM 0 HB2 GLU A 32 -6.485 9.465 4.189 1.00 51.44 H new ATOM 0 HB3 GLU A 32 -6.729 8.711 5.752 1.00 51.44 H new ATOM 0 HG2 GLU A 32 -4.073 9.840 4.774 1.00 32.42 H new ATOM 0 HG3 GLU A 32 -5.200 10.695 5.808 1.00 32.42 H new ATOM 538 N LYS A 33 -7.717 7.224 3.121 1.00 45.40 N ATOM 539 CA LYS A 33 -9.058 6.691 2.801 1.00 10.33 C ATOM 540 C LYS A 33 -8.990 5.244 2.272 1.00 53.51 C ATOM 541 O LYS A 33 -9.642 4.344 2.812 1.00 4.51 O ATOM 542 CB LYS A 33 -9.770 7.598 1.759 1.00 25.24 C ATOM 543 CG LYS A 33 -11.205 7.139 1.404 1.00 5.24 C ATOM 544 CD LYS A 33 -11.848 7.978 0.278 1.00 75.43 C ATOM 545 CE LYS A 33 -13.279 7.509 -0.040 1.00 11.13 C ATOM 546 NZ LYS A 33 -13.896 8.267 -1.157 1.00 13.33 N ATOM 0 H LYS A 33 -7.458 8.036 2.561 1.00 45.40 H new ATOM 0 HA LYS A 33 -9.632 6.684 3.728 1.00 10.33 H new ATOM 0 HB2 LYS A 33 -9.810 8.616 2.146 1.00 25.24 H new ATOM 0 HB3 LYS A 33 -9.172 7.626 0.848 1.00 25.24 H new ATOM 0 HG2 LYS A 33 -11.181 6.092 1.101 1.00 5.24 H new ATOM 0 HG3 LYS A 33 -11.830 7.198 2.295 1.00 5.24 H new ATOM 0 HD2 LYS A 33 -11.867 9.027 0.572 1.00 75.43 H new ATOM 0 HD3 LYS A 33 -11.235 7.910 -0.621 1.00 75.43 H new ATOM 0 HE2 LYS A 33 -13.262 6.449 -0.292 1.00 11.13 H new ATOM 0 HE3 LYS A 33 -13.898 7.615 0.851 1.00 11.13 H new ATOM 0 HZ1 LYS A 33 -14.858 7.911 -1.329 1.00 13.33 H new ATOM 0 HZ2 LYS A 33 -13.940 9.276 -0.909 1.00 13.33 H new ATOM 0 HZ3 LYS A 33 -13.323 8.146 -2.017 1.00 13.33 H new ATOM 560 N LEU A 34 -8.168 5.040 1.229 1.00 43.05 N ATOM 561 CA LEU A 34 -8.067 3.747 0.524 1.00 22.20 C ATOM 562 C LEU A 34 -7.561 2.615 1.459 1.00 73.11 C ATOM 563 O LEU A 34 -8.086 1.497 1.418 1.00 33.00 O ATOM 564 CB LEU A 34 -7.157 3.908 -0.726 1.00 23.25 C ATOM 565 CG LEU A 34 -7.113 2.709 -1.735 1.00 42.13 C ATOM 566 CD1 LEU A 34 -8.532 2.302 -2.203 1.00 40.23 C ATOM 567 CD2 LEU A 34 -6.211 3.044 -2.953 1.00 1.34 C ATOM 0 H LEU A 34 -7.556 5.763 0.850 1.00 43.05 H new ATOM 0 HA LEU A 34 -9.064 3.451 0.198 1.00 22.20 H new ATOM 0 HB2 LEU A 34 -7.482 4.796 -1.269 1.00 23.25 H new ATOM 0 HB3 LEU A 34 -6.140 4.099 -0.382 1.00 23.25 H new ATOM 0 HG LEU A 34 -6.682 1.857 -1.209 1.00 42.13 H new ATOM 0 HD11 LEU A 34 -8.460 1.468 -2.901 1.00 40.23 H new ATOM 0 HD12 LEU A 34 -9.128 2.003 -1.341 1.00 40.23 H new ATOM 0 HD13 LEU A 34 -9.009 3.148 -2.697 1.00 40.23 H new ATOM 0 HD21 LEU A 34 -6.196 2.197 -3.639 1.00 1.34 H new ATOM 0 HD22 LEU A 34 -6.605 3.921 -3.467 1.00 1.34 H new ATOM 0 HD23 LEU A 34 -5.197 3.250 -2.609 1.00 1.34 H new ATOM 579 N ALA A 35 -6.577 2.938 2.334 1.00 32.22 N ATOM 580 CA ALA A 35 -6.015 1.971 3.319 1.00 43.05 C ATOM 581 C ALA A 35 -7.072 1.493 4.347 1.00 21.41 C ATOM 582 O ALA A 35 -7.024 0.346 4.798 1.00 71.40 O ATOM 583 CB ALA A 35 -4.805 2.581 4.044 1.00 21.21 C ATOM 0 H ALA A 35 -6.152 3.864 2.380 1.00 32.22 H new ATOM 0 HA ALA A 35 -5.692 1.095 2.756 1.00 43.05 H new ATOM 0 HB1 ALA A 35 -4.408 1.860 4.759 1.00 21.21 H new ATOM 0 HB2 ALA A 35 -4.034 2.832 3.316 1.00 21.21 H new ATOM 0 HB3 ALA A 35 -5.114 3.483 4.572 1.00 21.21 H new ATOM 589 N LYS A 36 -8.020 2.386 4.700 1.00 22.14 N ATOM 590 CA LYS A 36 -9.158 2.057 5.601 1.00 11.43 C ATOM 591 C LYS A 36 -10.064 0.969 4.977 1.00 21.44 C ATOM 592 O LYS A 36 -10.406 -0.023 5.635 1.00 44.33 O ATOM 593 CB LYS A 36 -9.998 3.333 5.897 1.00 12.45 C ATOM 594 CG LYS A 36 -9.227 4.445 6.646 1.00 32.24 C ATOM 595 CD LYS A 36 -9.940 5.822 6.617 1.00 54.42 C ATOM 596 CE LYS A 36 -11.293 5.836 7.345 1.00 51.51 C ATOM 597 NZ LYS A 36 -11.903 7.194 7.361 1.00 44.04 N ATOM 0 H LYS A 36 -8.024 3.352 4.373 1.00 22.14 H new ATOM 0 HA LYS A 36 -8.747 1.672 6.534 1.00 11.43 H new ATOM 0 HB2 LYS A 36 -10.369 3.736 4.955 1.00 12.45 H new ATOM 0 HB3 LYS A 36 -10.870 3.051 6.488 1.00 12.45 H new ATOM 0 HG2 LYS A 36 -9.084 4.141 7.683 1.00 32.24 H new ATOM 0 HG3 LYS A 36 -8.236 4.549 6.205 1.00 32.24 H new ATOM 0 HD2 LYS A 36 -9.287 6.568 7.069 1.00 54.42 H new ATOM 0 HD3 LYS A 36 -10.093 6.119 5.580 1.00 54.42 H new ATOM 0 HE2 LYS A 36 -11.974 5.138 6.858 1.00 51.51 H new ATOM 0 HE3 LYS A 36 -11.158 5.487 8.369 1.00 51.51 H new ATOM 0 HZ1 LYS A 36 -12.814 7.159 7.861 1.00 44.04 H new ATOM 0 HZ2 LYS A 36 -11.265 7.855 7.848 1.00 44.04 H new ATOM 0 HZ3 LYS A 36 -12.056 7.517 6.384 1.00 44.04 H new ATOM 611 N ASP A 37 -10.428 1.166 3.694 1.00 1.44 N ATOM 612 CA ASP A 37 -11.298 0.228 2.943 1.00 2.13 C ATOM 613 C ASP A 37 -10.619 -1.150 2.714 1.00 0.04 C ATOM 614 O ASP A 37 -11.307 -2.171 2.600 1.00 74.54 O ATOM 615 CB ASP A 37 -11.730 0.860 1.595 1.00 12.32 C ATOM 616 CG ASP A 37 -12.594 2.118 1.796 1.00 24.13 C ATOM 617 OD1 ASP A 37 -13.802 1.978 2.089 1.00 55.41 O ATOM 618 OD2 ASP A 37 -12.074 3.245 1.674 1.00 30.21 O ATOM 0 H ASP A 37 -10.131 1.975 3.148 1.00 1.44 H new ATOM 0 HA ASP A 37 -12.184 0.046 3.551 1.00 2.13 H new ATOM 0 HB2 ASP A 37 -10.844 1.118 1.016 1.00 12.32 H new ATOM 0 HB3 ASP A 37 -12.288 0.126 1.014 1.00 12.32 H new ATOM 623 N VAL A 38 -9.261 -1.168 2.653 1.00 23.30 N ATOM 624 CA VAL A 38 -8.477 -2.432 2.547 1.00 72.41 C ATOM 625 C VAL A 38 -8.743 -3.350 3.771 1.00 40.32 C ATOM 626 O VAL A 38 -8.875 -4.565 3.623 1.00 41.42 O ATOM 627 CB VAL A 38 -6.915 -2.177 2.407 1.00 3.25 C ATOM 628 CG1 VAL A 38 -6.116 -3.506 2.327 1.00 4.50 C ATOM 629 CG2 VAL A 38 -6.586 -1.284 1.185 1.00 32.50 C ATOM 0 H VAL A 38 -8.686 -0.326 2.675 1.00 23.30 H new ATOM 0 HA VAL A 38 -8.815 -2.925 1.636 1.00 72.41 H new ATOM 0 HB VAL A 38 -6.608 -1.649 3.310 1.00 3.25 H new ATOM 0 HG11 VAL A 38 -5.053 -3.286 2.232 1.00 4.50 H new ATOM 0 HG12 VAL A 38 -6.287 -4.088 3.233 1.00 4.50 H new ATOM 0 HG13 VAL A 38 -6.447 -4.078 1.460 1.00 4.50 H new ATOM 0 HG21 VAL A 38 -5.508 -1.133 1.124 1.00 32.50 H new ATOM 0 HG22 VAL A 38 -6.936 -1.770 0.274 1.00 32.50 H new ATOM 0 HG23 VAL A 38 -7.082 -0.319 1.295 1.00 32.50 H new ATOM 639 N LYS A 39 -8.868 -2.730 4.959 1.00 53.53 N ATOM 640 CA LYS A 39 -9.025 -3.444 6.254 1.00 54.11 C ATOM 641 C LYS A 39 -10.374 -4.192 6.364 1.00 50.34 C ATOM 642 O LYS A 39 -10.460 -5.254 6.998 1.00 3.03 O ATOM 643 CB LYS A 39 -8.846 -2.445 7.420 1.00 64.33 C ATOM 644 CG LYS A 39 -7.513 -1.669 7.339 1.00 54.24 C ATOM 645 CD LYS A 39 -7.280 -0.701 8.511 1.00 55.42 C ATOM 646 CE LYS A 39 -5.977 0.095 8.333 1.00 31.04 C ATOM 647 NZ LYS A 39 -5.644 0.885 9.540 1.00 31.15 N ATOM 0 H LYS A 39 -8.864 -1.715 5.055 1.00 53.53 H new ATOM 0 HA LYS A 39 -8.250 -4.209 6.308 1.00 54.11 H new ATOM 0 HB2 LYS A 39 -9.675 -1.737 7.417 1.00 64.33 H new ATOM 0 HB3 LYS A 39 -8.891 -2.985 8.366 1.00 64.33 H new ATOM 0 HG2 LYS A 39 -6.690 -2.383 7.302 1.00 54.24 H new ATOM 0 HG3 LYS A 39 -7.488 -1.106 6.406 1.00 54.24 H new ATOM 0 HD2 LYS A 39 -8.121 -0.012 8.588 1.00 55.42 H new ATOM 0 HD3 LYS A 39 -7.241 -1.261 9.445 1.00 55.42 H new ATOM 0 HE2 LYS A 39 -5.160 -0.591 8.111 1.00 31.04 H new ATOM 0 HE3 LYS A 39 -6.074 0.763 7.477 1.00 31.04 H new ATOM 0 HZ1 LYS A 39 -4.759 1.407 9.380 1.00 31.15 H new ATOM 0 HZ2 LYS A 39 -6.412 1.558 9.737 1.00 31.15 H new ATOM 0 HZ3 LYS A 39 -5.527 0.246 10.352 1.00 31.15 H new ATOM 661 N ASP A 40 -11.417 -3.629 5.736 1.00 21.22 N ATOM 662 CA ASP A 40 -12.729 -4.296 5.612 1.00 52.02 C ATOM 663 C ASP A 40 -12.640 -5.541 4.691 1.00 74.34 C ATOM 664 O ASP A 40 -13.266 -6.570 4.954 1.00 42.13 O ATOM 665 CB ASP A 40 -13.780 -3.300 5.071 1.00 45.12 C ATOM 666 CG ASP A 40 -14.058 -2.158 6.054 1.00 53.22 C ATOM 667 OD1 ASP A 40 -14.845 -2.368 7.006 1.00 24.04 O ATOM 668 OD2 ASP A 40 -13.484 -1.060 5.900 1.00 5.13 O ATOM 0 H ASP A 40 -11.380 -2.707 5.302 1.00 21.22 H new ATOM 0 HA ASP A 40 -13.035 -4.634 6.602 1.00 52.02 H new ATOM 0 HB2 ASP A 40 -13.432 -2.886 4.125 1.00 45.12 H new ATOM 0 HB3 ASP A 40 -14.708 -3.832 4.863 1.00 45.12 H new ATOM 673 N GLU A 41 -11.845 -5.411 3.616 1.00 21.43 N ATOM 674 CA GLU A 41 -11.625 -6.478 2.614 1.00 1.24 C ATOM 675 C GLU A 41 -10.703 -7.611 3.140 1.00 62.43 C ATOM 676 O GLU A 41 -10.795 -8.750 2.664 1.00 42.33 O ATOM 677 CB GLU A 41 -11.047 -5.854 1.324 1.00 31.24 C ATOM 678 CG GLU A 41 -11.968 -4.814 0.634 1.00 41.34 C ATOM 679 CD GLU A 41 -13.150 -5.425 -0.141 1.00 45.14 C ATOM 680 OE1 GLU A 41 -12.921 -6.336 -0.963 1.00 61.22 O ATOM 681 OE2 GLU A 41 -14.301 -4.983 0.039 1.00 63.44 O ATOM 0 H GLU A 41 -11.330 -4.555 3.412 1.00 21.43 H new ATOM 0 HA GLU A 41 -12.588 -6.942 2.401 1.00 1.24 H new ATOM 0 HB2 GLU A 41 -10.097 -5.375 1.563 1.00 31.24 H new ATOM 0 HB3 GLU A 41 -10.831 -6.654 0.616 1.00 31.24 H new ATOM 0 HG2 GLU A 41 -12.359 -4.134 1.391 1.00 41.34 H new ATOM 0 HG3 GLU A 41 -11.369 -4.216 -0.053 1.00 41.34 H new ATOM 688 N LEU A 42 -9.806 -7.279 4.107 1.00 20.43 N ATOM 689 CA LEU A 42 -8.944 -8.285 4.801 1.00 61.54 C ATOM 690 C LEU A 42 -9.804 -9.414 5.437 1.00 35.05 C ATOM 691 O LEU A 42 -9.460 -10.596 5.355 1.00 3.01 O ATOM 692 CB LEU A 42 -8.068 -7.636 5.924 1.00 70.02 C ATOM 693 CG LEU A 42 -7.074 -6.496 5.520 1.00 43.14 C ATOM 694 CD1 LEU A 42 -6.248 -6.009 6.736 1.00 32.44 C ATOM 695 CD2 LEU A 42 -6.139 -6.911 4.373 1.00 4.40 C ATOM 0 H LEU A 42 -9.658 -6.322 4.427 1.00 20.43 H new ATOM 0 HA LEU A 42 -8.287 -8.702 4.037 1.00 61.54 H new ATOM 0 HB2 LEU A 42 -8.741 -7.237 6.683 1.00 70.02 H new ATOM 0 HB3 LEU A 42 -7.490 -8.430 6.396 1.00 70.02 H new ATOM 0 HG LEU A 42 -7.687 -5.669 5.161 1.00 43.14 H new ATOM 0 HD11 LEU A 42 -5.568 -5.218 6.421 1.00 32.44 H new ATOM 0 HD12 LEU A 42 -6.921 -5.625 7.503 1.00 32.44 H new ATOM 0 HD13 LEU A 42 -5.673 -6.841 7.142 1.00 32.44 H new ATOM 0 HD21 LEU A 42 -5.470 -6.085 4.132 1.00 4.40 H new ATOM 0 HD22 LEU A 42 -5.551 -7.777 4.678 1.00 4.40 H new ATOM 0 HD23 LEU A 42 -6.732 -7.166 3.495 1.00 4.40 H new ATOM 707 N GLU A 43 -10.929 -9.013 6.060 1.00 41.34 N ATOM 708 CA GLU A 43 -11.843 -9.928 6.786 1.00 52.54 C ATOM 709 C GLU A 43 -13.075 -10.342 5.928 1.00 0.51 C ATOM 710 O GLU A 43 -13.614 -11.438 6.109 1.00 25.33 O ATOM 711 CB GLU A 43 -12.297 -9.250 8.113 1.00 32.34 C ATOM 712 CG GLU A 43 -11.135 -8.940 9.093 1.00 5.15 C ATOM 713 CD GLU A 43 -11.595 -8.279 10.408 1.00 14.41 C ATOM 714 OE1 GLU A 43 -11.918 -9.009 11.376 1.00 14.34 O ATOM 715 OE2 GLU A 43 -11.655 -7.033 10.478 1.00 63.15 O ATOM 0 H GLU A 43 -11.235 -8.040 6.076 1.00 41.34 H new ATOM 0 HA GLU A 43 -11.299 -10.846 7.006 1.00 52.54 H new ATOM 0 HB2 GLU A 43 -12.816 -8.321 7.875 1.00 32.34 H new ATOM 0 HB3 GLU A 43 -13.017 -9.898 8.613 1.00 32.34 H new ATOM 0 HG2 GLU A 43 -10.611 -9.867 9.326 1.00 5.15 H new ATOM 0 HG3 GLU A 43 -10.419 -8.284 8.598 1.00 5.15 H new ATOM 756 N ALA A 47 -8.818 -8.912 -0.263 1.00 72.00 N ATOM 757 CA ALA A 47 -7.689 -8.018 0.072 1.00 34.14 C ATOM 758 C ALA A 47 -6.700 -7.853 -1.099 1.00 13.01 C ATOM 759 O ALA A 47 -6.210 -6.759 -1.337 1.00 73.22 O ATOM 760 CB ALA A 47 -6.950 -8.561 1.298 1.00 24.03 C ATOM 0 HA ALA A 47 -8.105 -7.034 0.286 1.00 34.14 H new ATOM 0 HB1 ALA A 47 -6.118 -7.901 1.543 1.00 24.03 H new ATOM 0 HB2 ALA A 47 -7.636 -8.610 2.144 1.00 24.03 H new ATOM 0 HB3 ALA A 47 -6.569 -9.559 1.081 1.00 24.03 H new ATOM 766 N LYS A 48 -6.442 -8.954 -1.836 1.00 12.51 N ATOM 767 CA LYS A 48 -5.435 -8.993 -2.928 1.00 60.01 C ATOM 768 C LYS A 48 -5.796 -7.981 -4.050 1.00 11.12 C ATOM 769 O LYS A 48 -4.915 -7.337 -4.623 1.00 1.42 O ATOM 770 CB LYS A 48 -5.314 -10.453 -3.472 1.00 1.35 C ATOM 771 CG LYS A 48 -4.031 -10.783 -4.295 1.00 74.14 C ATOM 772 CD LYS A 48 -4.016 -10.287 -5.771 1.00 30.55 C ATOM 773 CE LYS A 48 -5.105 -10.926 -6.665 1.00 73.43 C ATOM 774 NZ LYS A 48 -6.468 -10.368 -6.425 1.00 43.21 N ATOM 0 H LYS A 48 -6.923 -9.842 -1.694 1.00 12.51 H new ATOM 0 HA LYS A 48 -4.463 -8.693 -2.536 1.00 60.01 H new ATOM 0 HB2 LYS A 48 -5.362 -11.138 -2.625 1.00 1.35 H new ATOM 0 HB3 LYS A 48 -6.183 -10.658 -4.097 1.00 1.35 H new ATOM 0 HG2 LYS A 48 -3.173 -10.352 -3.780 1.00 74.14 H new ATOM 0 HG3 LYS A 48 -3.892 -11.864 -4.295 1.00 74.14 H new ATOM 0 HD2 LYS A 48 -4.143 -9.204 -5.780 1.00 30.55 H new ATOM 0 HD3 LYS A 48 -3.038 -10.497 -6.203 1.00 30.55 H new ATOM 0 HE2 LYS A 48 -4.839 -10.778 -7.712 1.00 73.43 H new ATOM 0 HE3 LYS A 48 -5.124 -12.002 -6.490 1.00 73.43 H new ATOM 0 HZ1 LYS A 48 -7.044 -10.476 -7.284 1.00 43.21 H new ATOM 0 HZ2 LYS A 48 -6.919 -10.879 -5.639 1.00 43.21 H new ATOM 0 HZ3 LYS A 48 -6.393 -9.359 -6.184 1.00 43.21 H new ATOM 788 N ASN A 49 -7.108 -7.837 -4.326 1.00 53.33 N ATOM 789 CA ASN A 49 -7.621 -6.874 -5.324 1.00 13.33 C ATOM 790 C ASN A 49 -7.375 -5.412 -4.873 1.00 2.13 C ATOM 791 O ASN A 49 -7.109 -4.537 -5.692 1.00 41.23 O ATOM 792 CB ASN A 49 -9.121 -7.122 -5.592 1.00 62.44 C ATOM 793 CG ASN A 49 -9.670 -6.277 -6.749 1.00 42.33 C ATOM 794 OD1 ASN A 49 -10.176 -5.176 -6.554 1.00 35.22 O ATOM 795 ND2 ASN A 49 -9.542 -6.769 -7.964 1.00 65.53 N ATOM 0 H ASN A 49 -7.839 -8.381 -3.867 1.00 53.33 H new ATOM 0 HA ASN A 49 -7.074 -7.028 -6.254 1.00 13.33 H new ATOM 0 HB2 ASN A 49 -9.275 -8.178 -5.815 1.00 62.44 H new ATOM 0 HB3 ASN A 49 -9.688 -6.901 -4.687 1.00 62.44 H new ATOM 0 HD21 ASN A 49 -9.867 -6.232 -8.768 1.00 65.53 H new ATOM 0 HD22 ASN A 49 -9.118 -7.687 -8.101 1.00 65.53 H new ATOM 802 N MET A 50 -7.482 -5.177 -3.559 1.00 31.42 N ATOM 803 CA MET A 50 -7.159 -3.880 -2.927 1.00 62.51 C ATOM 804 C MET A 50 -5.659 -3.548 -3.043 1.00 13.32 C ATOM 805 O MET A 50 -5.305 -2.413 -3.307 1.00 4.32 O ATOM 806 CB MET A 50 -7.556 -3.895 -1.436 1.00 23.32 C ATOM 807 CG MET A 50 -9.018 -4.233 -1.187 1.00 43.24 C ATOM 808 SD MET A 50 -10.156 -2.997 -1.856 1.00 52.44 S ATOM 809 CE MET A 50 -9.773 -1.567 -0.851 1.00 72.31 C ATOM 0 H MET A 50 -7.797 -5.884 -2.895 1.00 31.42 H new ATOM 0 HA MET A 50 -7.727 -3.114 -3.456 1.00 62.51 H new ATOM 0 HB2 MET A 50 -6.932 -4.619 -0.912 1.00 23.32 H new ATOM 0 HB3 MET A 50 -7.341 -2.918 -1.004 1.00 23.32 H new ATOM 0 HG2 MET A 50 -9.241 -5.203 -1.632 1.00 43.24 H new ATOM 0 HG3 MET A 50 -9.185 -4.329 -0.114 1.00 43.24 H new ATOM 0 HE1 MET A 50 -10.449 -0.751 -1.106 1.00 72.31 H new ATOM 0 HE2 MET A 50 -9.891 -1.820 0.203 1.00 72.31 H new ATOM 0 HE3 MET A 50 -8.745 -1.257 -1.036 1.00 72.31 H new ATOM 819 N ILE A 51 -4.804 -4.564 -2.843 1.00 4.21 N ATOM 820 CA ILE A 51 -3.328 -4.411 -2.858 1.00 3.31 C ATOM 821 C ILE A 51 -2.814 -4.069 -4.282 1.00 30.04 C ATOM 822 O ILE A 51 -1.922 -3.229 -4.441 1.00 24.52 O ATOM 823 CB ILE A 51 -2.626 -5.723 -2.330 1.00 13.13 C ATOM 824 CG1 ILE A 51 -3.168 -6.123 -0.922 1.00 62.31 C ATOM 825 CG2 ILE A 51 -1.080 -5.577 -2.284 1.00 54.02 C ATOM 826 CD1 ILE A 51 -2.779 -7.522 -0.481 1.00 52.35 C ATOM 0 H ILE A 51 -5.111 -5.520 -2.665 1.00 4.21 H new ATOM 0 HA ILE A 51 -3.075 -3.584 -2.194 1.00 3.31 H new ATOM 0 HB ILE A 51 -2.867 -6.516 -3.038 1.00 13.13 H new ATOM 0 HG12 ILE A 51 -2.801 -5.407 -0.187 1.00 62.31 H new ATOM 0 HG13 ILE A 51 -4.255 -6.045 -0.928 1.00 62.31 H new ATOM 0 HG21 ILE A 51 -0.638 -6.502 -1.915 1.00 54.02 H new ATOM 0 HG22 ILE A 51 -0.704 -5.370 -3.286 1.00 54.02 H new ATOM 0 HG23 ILE A 51 -0.812 -4.756 -1.619 1.00 54.02 H new ATOM 0 HD11 ILE A 51 -3.195 -7.721 0.507 1.00 52.35 H new ATOM 0 HD12 ILE A 51 -3.170 -8.250 -1.193 1.00 52.35 H new ATOM 0 HD13 ILE A 51 -1.693 -7.602 -0.440 1.00 52.35 H new ATOM 838 N GLU A 52 -3.388 -4.722 -5.317 1.00 32.01 N ATOM 839 CA GLU A 52 -2.980 -4.498 -6.727 1.00 33.00 C ATOM 840 C GLU A 52 -3.446 -3.126 -7.254 1.00 51.45 C ATOM 841 O GLU A 52 -2.712 -2.459 -7.998 1.00 34.30 O ATOM 842 CB GLU A 52 -3.459 -5.660 -7.655 1.00 21.20 C ATOM 843 CG GLU A 52 -4.981 -5.856 -7.752 1.00 71.24 C ATOM 844 CD GLU A 52 -5.394 -7.056 -8.626 1.00 12.14 C ATOM 845 OE1 GLU A 52 -5.096 -7.049 -9.839 1.00 70.24 O ATOM 846 OE2 GLU A 52 -6.032 -8.005 -8.114 1.00 14.21 O ATOM 0 H GLU A 52 -4.134 -5.408 -5.205 1.00 32.01 H new ATOM 0 HA GLU A 52 -1.890 -4.492 -6.744 1.00 33.00 H new ATOM 0 HB2 GLU A 52 -3.070 -5.483 -8.658 1.00 21.20 H new ATOM 0 HB3 GLU A 52 -3.014 -6.590 -7.300 1.00 21.20 H new ATOM 0 HG2 GLU A 52 -5.386 -5.991 -6.749 1.00 71.24 H new ATOM 0 HG3 GLU A 52 -5.430 -4.950 -8.158 1.00 71.24 H new ATOM 853 N LYS A 53 -4.654 -2.694 -6.852 1.00 44.12 N ATOM 854 CA LYS A 53 -5.166 -1.360 -7.240 1.00 25.40 C ATOM 855 C LYS A 53 -4.527 -0.242 -6.384 1.00 31.21 C ATOM 856 O LYS A 53 -4.408 0.908 -6.831 1.00 54.02 O ATOM 857 CB LYS A 53 -6.707 -1.290 -7.200 1.00 42.32 C ATOM 858 CG LYS A 53 -7.372 -1.394 -5.814 1.00 42.03 C ATOM 859 CD LYS A 53 -8.841 -0.910 -5.860 1.00 11.33 C ATOM 860 CE LYS A 53 -9.717 -1.454 -4.722 1.00 23.23 C ATOM 861 NZ LYS A 53 -9.961 -2.921 -4.850 1.00 60.54 N ATOM 0 H LYS A 53 -5.289 -3.237 -6.267 1.00 44.12 H new ATOM 0 HA LYS A 53 -4.871 -1.197 -8.277 1.00 25.40 H new ATOM 0 HB2 LYS A 53 -7.016 -0.349 -7.655 1.00 42.32 H new ATOM 0 HB3 LYS A 53 -7.100 -2.091 -7.826 1.00 42.32 H new ATOM 0 HG2 LYS A 53 -7.337 -2.427 -5.468 1.00 42.03 H new ATOM 0 HG3 LYS A 53 -6.812 -0.798 -5.094 1.00 42.03 H new ATOM 0 HD2 LYS A 53 -8.854 0.179 -5.825 1.00 11.33 H new ATOM 0 HD3 LYS A 53 -9.279 -1.204 -6.814 1.00 11.33 H new ATOM 0 HE2 LYS A 53 -9.236 -1.250 -3.766 1.00 23.23 H new ATOM 0 HE3 LYS A 53 -10.672 -0.928 -4.717 1.00 23.23 H new ATOM 0 HZ1 LYS A 53 -9.781 -3.384 -3.936 1.00 60.54 H new ATOM 0 HZ2 LYS A 53 -10.948 -3.085 -5.133 1.00 60.54 H new ATOM 0 HZ3 LYS A 53 -9.324 -3.317 -5.570 1.00 60.54 H new ATOM 875 N PHE A 54 -4.103 -0.595 -5.150 1.00 15.01 N ATOM 876 CA PHE A 54 -3.312 0.311 -4.297 1.00 70.10 C ATOM 877 C PHE A 54 -1.903 0.480 -4.900 1.00 30.21 C ATOM 878 O PHE A 54 -1.329 1.549 -4.806 1.00 64.20 O ATOM 879 CB PHE A 54 -3.216 -0.200 -2.825 1.00 51.41 C ATOM 880 CG PHE A 54 -2.573 0.818 -1.870 1.00 12.34 C ATOM 881 CD1 PHE A 54 -1.194 0.850 -1.666 1.00 53.10 C ATOM 882 CD2 PHE A 54 -3.351 1.775 -1.220 1.00 25.23 C ATOM 883 CE1 PHE A 54 -0.617 1.811 -0.865 1.00 3.34 C ATOM 884 CE2 PHE A 54 -2.773 2.729 -0.404 1.00 25.51 C ATOM 885 CZ PHE A 54 -1.403 2.744 -0.229 1.00 40.15 C ATOM 0 H PHE A 54 -4.297 -1.502 -4.725 1.00 15.01 H new ATOM 0 HA PHE A 54 -3.820 1.275 -4.266 1.00 70.10 H new ATOM 0 HB2 PHE A 54 -4.216 -0.443 -2.466 1.00 51.41 H new ATOM 0 HB3 PHE A 54 -2.637 -1.123 -2.805 1.00 51.41 H new ATOM 0 HD1 PHE A 54 -0.569 0.110 -2.143 1.00 53.10 H new ATOM 0 HD2 PHE A 54 -4.422 1.771 -1.356 1.00 25.23 H new ATOM 0 HE1 PHE A 54 0.455 1.832 -0.736 1.00 3.34 H new ATOM 0 HE2 PHE A 54 -3.391 3.461 0.095 1.00 25.51 H new ATOM 0 HZ PHE A 54 -0.948 3.489 0.408 1.00 40.15 H new ATOM 895 N ARG A 55 -1.374 -0.601 -5.526 1.00 64.30 N ATOM 896 CA ARG A 55 -0.050 -0.584 -6.213 1.00 32.13 C ATOM 897 C ARG A 55 -0.091 0.338 -7.451 1.00 21.25 C ATOM 898 O ARG A 55 0.887 1.039 -7.753 1.00 61.15 O ATOM 899 CB ARG A 55 0.379 -2.022 -6.645 1.00 45.00 C ATOM 900 CG ARG A 55 1.697 -2.092 -7.468 1.00 33.51 C ATOM 901 CD ARG A 55 1.997 -3.500 -8.011 1.00 21.04 C ATOM 902 NE ARG A 55 3.091 -3.504 -9.001 1.00 62.34 N ATOM 903 CZ ARG A 55 2.993 -3.895 -10.259 1.00 44.54 C ATOM 904 NH1 ARG A 55 1.862 -4.266 -10.772 1.00 71.21 N ATOM 905 NH2 ARG A 55 4.048 -3.901 -11.007 1.00 63.34 N ATOM 0 H ARG A 55 -1.846 -1.504 -5.571 1.00 64.30 H new ATOM 0 HA ARG A 55 0.683 -0.200 -5.504 1.00 32.13 H new ATOM 0 HB2 ARG A 55 0.493 -2.635 -5.751 1.00 45.00 H new ATOM 0 HB3 ARG A 55 -0.424 -2.464 -7.235 1.00 45.00 H new ATOM 0 HG2 ARG A 55 1.635 -1.393 -8.302 1.00 33.51 H new ATOM 0 HG3 ARG A 55 2.527 -1.767 -6.841 1.00 33.51 H new ATOM 0 HD2 ARG A 55 2.260 -4.157 -7.182 1.00 21.04 H new ATOM 0 HD3 ARG A 55 1.096 -3.909 -8.469 1.00 21.04 H new ATOM 0 HE ARG A 55 4.004 -3.176 -8.686 1.00 62.34 H new ATOM 0 HH11 ARG A 55 1.017 -4.261 -10.201 1.00 71.21 H new ATOM 0 HH12 ARG A 55 1.817 -4.563 -11.747 1.00 71.21 H new ATOM 0 HH21 ARG A 55 4.946 -3.605 -10.624 1.00 63.34 H new ATOM 0 HH22 ARG A 55 3.982 -4.201 -11.980 1.00 63.34 H new ATOM 919 N ASP A 56 -1.246 0.334 -8.148 1.00 70.32 N ATOM 920 CA ASP A 56 -1.476 1.171 -9.342 1.00 51.12 C ATOM 921 C ASP A 56 -1.343 2.677 -8.986 1.00 32.31 C ATOM 922 O ASP A 56 -0.630 3.438 -9.656 1.00 51.14 O ATOM 923 CB ASP A 56 -2.879 0.846 -9.912 1.00 44.01 C ATOM 924 CG ASP A 56 -3.206 1.614 -11.201 1.00 73.23 C ATOM 925 OD1 ASP A 56 -2.739 1.194 -12.280 1.00 64.31 O ATOM 926 OD2 ASP A 56 -3.932 2.632 -11.139 1.00 53.13 O ATOM 0 H ASP A 56 -2.045 -0.249 -7.898 1.00 70.32 H new ATOM 0 HA ASP A 56 -0.724 0.953 -10.100 1.00 51.12 H new ATOM 0 HB2 ASP A 56 -2.944 -0.224 -10.109 1.00 44.01 H new ATOM 0 HB3 ASP A 56 -3.632 1.078 -9.159 1.00 44.01 H new ATOM 931 N GLU A 57 -2.024 3.069 -7.898 1.00 54.11 N ATOM 932 CA GLU A 57 -1.967 4.437 -7.349 1.00 3.23 C ATOM 933 C GLU A 57 -0.647 4.716 -6.590 1.00 70.45 C ATOM 934 O GLU A 57 -0.210 5.863 -6.538 1.00 13.13 O ATOM 935 CB GLU A 57 -3.197 4.677 -6.432 1.00 61.41 C ATOM 936 CG GLU A 57 -4.536 4.793 -7.196 1.00 3.34 C ATOM 937 CD GLU A 57 -4.653 6.095 -8.018 1.00 73.51 C ATOM 938 OE1 GLU A 57 -5.129 7.113 -7.467 1.00 45.24 O ATOM 939 OE2 GLU A 57 -4.256 6.121 -9.206 1.00 44.54 O ATOM 0 H GLU A 57 -2.633 2.444 -7.370 1.00 54.11 H new ATOM 0 HA GLU A 57 -1.993 5.136 -8.185 1.00 3.23 H new ATOM 0 HB2 GLU A 57 -3.269 3.859 -5.716 1.00 61.41 H new ATOM 0 HB3 GLU A 57 -3.037 5.590 -5.858 1.00 61.41 H new ATOM 0 HG2 GLU A 57 -4.642 3.938 -7.864 1.00 3.34 H new ATOM 0 HG3 GLU A 57 -5.359 4.745 -6.483 1.00 3.34 H new ATOM 946 N MET A 58 -0.031 3.667 -6.003 1.00 34.43 N ATOM 947 CA MET A 58 1.253 3.774 -5.270 1.00 25.24 C ATOM 948 C MET A 58 2.382 4.296 -6.172 1.00 10.13 C ATOM 949 O MET A 58 3.083 5.242 -5.815 1.00 23.40 O ATOM 950 CB MET A 58 1.659 2.411 -4.652 1.00 74.32 C ATOM 951 CG MET A 58 2.909 2.483 -3.784 1.00 53.42 C ATOM 952 SD MET A 58 2.687 3.608 -2.394 1.00 71.23 S ATOM 953 CE MET A 58 4.376 4.014 -1.994 1.00 22.44 C ATOM 0 H MET A 58 -0.409 2.720 -6.023 1.00 34.43 H new ATOM 0 HA MET A 58 1.099 4.494 -4.466 1.00 25.24 H new ATOM 0 HB2 MET A 58 0.831 2.033 -4.052 1.00 74.32 H new ATOM 0 HB3 MET A 58 1.825 1.693 -5.455 1.00 74.32 H new ATOM 0 HG2 MET A 58 3.152 1.488 -3.412 1.00 53.42 H new ATOM 0 HG3 MET A 58 3.754 2.813 -4.388 1.00 53.42 H new ATOM 0 HE1 MET A 58 4.467 4.173 -0.920 1.00 22.44 H new ATOM 0 HE2 MET A 58 5.029 3.195 -2.297 1.00 22.44 H new ATOM 0 HE3 MET A 58 4.666 4.923 -2.521 1.00 22.44 H new ATOM 963 N GLU A 59 2.524 3.667 -7.345 1.00 54.13 N ATOM 964 CA GLU A 59 3.533 4.048 -8.350 1.00 21.20 C ATOM 965 C GLU A 59 3.276 5.471 -8.890 1.00 62.13 C ATOM 966 O GLU A 59 4.207 6.259 -9.070 1.00 31.02 O ATOM 967 CB GLU A 59 3.537 3.010 -9.500 1.00 73.32 C ATOM 968 CG GLU A 59 4.635 3.227 -10.565 1.00 2.22 C ATOM 969 CD GLU A 59 4.541 2.228 -11.729 1.00 65.42 C ATOM 970 OE1 GLU A 59 5.060 1.099 -11.603 1.00 41.32 O ATOM 971 OE2 GLU A 59 3.938 2.563 -12.772 1.00 51.52 O ATOM 0 H GLU A 59 1.943 2.878 -7.628 1.00 54.13 H new ATOM 0 HA GLU A 59 4.514 4.056 -7.875 1.00 21.20 H new ATOM 0 HB2 GLU A 59 3.657 2.015 -9.072 1.00 73.32 H new ATOM 0 HB3 GLU A 59 2.564 3.030 -9.992 1.00 73.32 H new ATOM 0 HG2 GLU A 59 4.560 4.242 -10.956 1.00 2.22 H new ATOM 0 HG3 GLU A 59 5.614 3.138 -10.094 1.00 2.22 H new ATOM 978 N GLN A 60 1.991 5.772 -9.108 1.00 71.43 N ATOM 979 CA GLN A 60 1.506 7.084 -9.579 1.00 74.30 C ATOM 980 C GLN A 60 1.944 8.244 -8.631 1.00 32.24 C ATOM 981 O GLN A 60 2.604 9.191 -9.073 1.00 54.12 O ATOM 982 CB GLN A 60 -0.041 6.967 -9.746 1.00 64.15 C ATOM 983 CG GLN A 60 -0.842 8.249 -10.104 1.00 0.31 C ATOM 984 CD GLN A 60 -1.317 9.036 -8.871 1.00 62.24 C ATOM 985 OE1 GLN A 60 -0.687 9.992 -8.430 1.00 14.42 O ATOM 986 NE2 GLN A 60 -2.410 8.606 -8.277 1.00 32.11 N ATOM 0 H GLN A 60 1.239 5.099 -8.960 1.00 71.43 H new ATOM 0 HA GLN A 60 1.954 7.342 -10.539 1.00 74.30 H new ATOM 0 HB2 GLN A 60 -0.237 6.226 -10.521 1.00 64.15 H new ATOM 0 HB3 GLN A 60 -0.447 6.570 -8.815 1.00 64.15 H new ATOM 0 HG2 GLN A 60 -0.220 8.897 -10.722 1.00 0.31 H new ATOM 0 HG3 GLN A 60 -1.708 7.972 -10.705 1.00 0.31 H new ATOM 0 HE21 GLN A 60 -2.919 7.809 -8.660 1.00 32.11 H new ATOM 0 HE22 GLN A 60 -2.748 9.069 -7.434 1.00 32.11 H new ATOM 995 N MET A 61 1.607 8.138 -7.327 1.00 32.14 N ATOM 996 CA MET A 61 1.921 9.199 -6.326 1.00 23.35 C ATOM 997 C MET A 61 3.425 9.209 -5.943 1.00 1.24 C ATOM 998 O MET A 61 3.946 10.223 -5.465 1.00 4.22 O ATOM 999 CB MET A 61 1.011 9.061 -5.073 1.00 2.44 C ATOM 1000 CG MET A 61 1.112 7.722 -4.336 1.00 43.22 C ATOM 1001 SD MET A 61 -0.180 7.520 -3.093 1.00 34.42 S ATOM 1002 CE MET A 61 0.039 5.808 -2.602 1.00 75.41 C ATOM 0 H MET A 61 1.118 7.332 -6.937 1.00 32.14 H new ATOM 0 HA MET A 61 1.711 10.163 -6.790 1.00 23.35 H new ATOM 0 HB2 MET A 61 1.258 9.861 -4.375 1.00 2.44 H new ATOM 0 HB3 MET A 61 -0.025 9.212 -5.378 1.00 2.44 H new ATOM 0 HG2 MET A 61 1.048 6.908 -5.058 1.00 43.22 H new ATOM 0 HG3 MET A 61 2.088 7.647 -3.857 1.00 43.22 H new ATOM 0 HE1 MET A 61 -0.295 5.679 -1.573 1.00 75.41 H new ATOM 0 HE2 MET A 61 -0.547 5.164 -3.257 1.00 75.41 H new ATOM 0 HE3 MET A 61 1.093 5.540 -2.678 1.00 75.41 H new ATOM 1012 N TYR A 62 4.104 8.064 -6.150 1.00 64.32 N ATOM 1013 CA TYR A 62 5.566 7.935 -5.964 1.00 20.40 C ATOM 1014 C TYR A 62 6.354 8.715 -7.049 1.00 74.23 C ATOM 1015 O TYR A 62 7.376 9.327 -6.747 1.00 3.32 O ATOM 1016 CB TYR A 62 5.977 6.432 -5.951 1.00 31.35 C ATOM 1017 CG TYR A 62 7.485 6.182 -6.123 1.00 43.03 C ATOM 1018 CD1 TYR A 62 8.378 6.369 -5.069 1.00 61.52 C ATOM 1019 CD2 TYR A 62 8.016 5.802 -7.366 1.00 35.43 C ATOM 1020 CE1 TYR A 62 9.736 6.199 -5.250 1.00 22.52 C ATOM 1021 CE2 TYR A 62 9.370 5.622 -7.541 1.00 22.05 C ATOM 1022 CZ TYR A 62 10.226 5.822 -6.485 1.00 14.12 C ATOM 1023 OH TYR A 62 11.580 5.670 -6.670 1.00 73.21 O ATOM 0 H TYR A 62 3.655 7.199 -6.452 1.00 64.32 H new ATOM 0 HA TYR A 62 5.821 8.377 -5.001 1.00 20.40 H new ATOM 0 HB2 TYR A 62 5.653 5.988 -5.010 1.00 31.35 H new ATOM 0 HB3 TYR A 62 5.443 5.915 -6.748 1.00 31.35 H new ATOM 0 HD1 TYR A 62 8.002 6.651 -4.097 1.00 61.52 H new ATOM 0 HD2 TYR A 62 7.349 5.648 -8.202 1.00 35.43 H new ATOM 0 HE1 TYR A 62 10.415 6.361 -4.426 1.00 22.52 H new ATOM 0 HE2 TYR A 62 9.757 5.325 -8.504 1.00 22.05 H new ATOM 0 HH TYR A 62 11.820 4.725 -6.569 1.00 73.21 H new ATOM 1033 N LYS A 63 5.907 8.653 -8.317 1.00 42.53 N ATOM 1034 CA LYS A 63 6.585 9.381 -9.424 1.00 25.40 C ATOM 1035 C LYS A 63 6.454 10.911 -9.251 1.00 73.34 C ATOM 1036 O LYS A 63 7.347 11.671 -9.639 1.00 73.42 O ATOM 1037 CB LYS A 63 6.040 8.933 -10.803 1.00 75.44 C ATOM 1038 CG LYS A 63 6.322 7.453 -11.150 1.00 51.32 C ATOM 1039 CD LYS A 63 7.830 7.100 -11.118 1.00 11.41 C ATOM 1040 CE LYS A 63 8.108 5.631 -11.483 1.00 50.04 C ATOM 1041 NZ LYS A 63 7.682 5.298 -12.869 1.00 41.23 N ATOM 0 H LYS A 63 5.090 8.115 -8.606 1.00 42.53 H new ATOM 0 HA LYS A 63 7.645 9.129 -9.383 1.00 25.40 H new ATOM 0 HB2 LYS A 63 4.963 9.100 -10.826 1.00 75.44 H new ATOM 0 HB3 LYS A 63 6.478 9.565 -11.576 1.00 75.44 H new ATOM 0 HG2 LYS A 63 5.790 6.813 -10.446 1.00 51.32 H new ATOM 0 HG3 LYS A 63 5.925 7.236 -12.142 1.00 51.32 H new ATOM 0 HD2 LYS A 63 8.365 7.749 -11.811 1.00 11.41 H new ATOM 0 HD3 LYS A 63 8.225 7.303 -10.122 1.00 11.41 H new ATOM 0 HE2 LYS A 63 9.174 5.429 -11.375 1.00 50.04 H new ATOM 0 HE3 LYS A 63 7.587 4.981 -10.780 1.00 50.04 H new ATOM 0 HZ1 LYS A 63 7.982 4.330 -13.101 1.00 41.23 H new ATOM 0 HZ2 LYS A 63 6.647 5.366 -12.940 1.00 41.23 H new ATOM 0 HZ3 LYS A 63 8.119 5.965 -13.536 1.00 41.23 H new ATOM 1055 N ASP A 64 5.325 11.335 -8.660 1.00 1.00 N ATOM 1056 CA ASP A 64 5.096 12.736 -8.249 1.00 51.32 C ATOM 1057 C ASP A 64 6.023 13.126 -7.064 1.00 23.12 C ATOM 1058 O ASP A 64 6.674 14.177 -7.088 1.00 73.01 O ATOM 1059 CB ASP A 64 3.599 12.918 -7.870 1.00 23.01 C ATOM 1060 CG ASP A 64 3.277 14.314 -7.313 1.00 35.15 C ATOM 1061 OD1 ASP A 64 3.267 15.292 -8.094 1.00 72.14 O ATOM 1062 OD2 ASP A 64 3.041 14.445 -6.092 1.00 13.23 O ATOM 0 H ASP A 64 4.541 10.716 -8.452 1.00 1.00 H new ATOM 0 HA ASP A 64 5.337 13.398 -9.080 1.00 51.32 H new ATOM 0 HB2 ASP A 64 2.984 12.735 -8.751 1.00 23.01 H new ATOM 0 HB3 ASP A 64 3.325 12.167 -7.129 1.00 23.01 H new ATOM 1067 N ALA A 65 6.089 12.254 -6.042 1.00 55.23 N ATOM 1068 CA ALA A 65 6.862 12.499 -4.803 1.00 64.21 C ATOM 1069 C ALA A 65 7.666 11.232 -4.383 1.00 31.40 C ATOM 1070 O ALA A 65 7.151 10.377 -3.651 1.00 23.11 O ATOM 1071 CB ALA A 65 5.904 12.968 -3.688 1.00 72.30 C ATOM 0 H ALA A 65 5.607 11.355 -6.049 1.00 55.23 H new ATOM 0 HA ALA A 65 7.594 13.286 -4.984 1.00 64.21 H new ATOM 0 HB1 ALA A 65 6.470 13.149 -2.774 1.00 72.30 H new ATOM 0 HB2 ALA A 65 5.409 13.889 -3.997 1.00 72.30 H new ATOM 0 HB3 ALA A 65 5.155 12.198 -3.504 1.00 72.30 H new ATOM 1077 N PRO A 66 8.934 11.049 -4.900 1.00 34.22 N ATOM 1078 CA PRO A 66 9.799 9.894 -4.555 1.00 42.05 C ATOM 1079 C PRO A 66 10.587 10.110 -3.233 1.00 24.31 C ATOM 1080 O PRO A 66 11.730 10.589 -3.241 1.00 54.34 O ATOM 1081 CB PRO A 66 10.746 9.768 -5.802 1.00 32.45 C ATOM 1082 CG PRO A 66 10.369 10.907 -6.726 1.00 55.23 C ATOM 1083 CD PRO A 66 9.618 11.915 -5.884 1.00 3.54 C ATOM 0 HA PRO A 66 9.227 8.986 -4.364 1.00 42.05 H new ATOM 0 HB2 PRO A 66 11.793 9.835 -5.506 1.00 32.45 H new ATOM 0 HB3 PRO A 66 10.616 8.805 -6.296 1.00 32.45 H new ATOM 0 HG2 PRO A 66 11.257 11.357 -7.169 1.00 55.23 H new ATOM 0 HG3 PRO A 66 9.749 10.550 -7.548 1.00 55.23 H new ATOM 0 HD2 PRO A 66 10.290 12.626 -5.403 1.00 3.54 H new ATOM 0 HD3 PRO A 66 8.911 12.495 -6.477 1.00 3.54 H new ATOM 1091 N ASN A 67 9.958 9.751 -2.100 1.00 55.22 N ATOM 1092 CA ASN A 67 10.520 9.995 -0.739 1.00 34.35 C ATOM 1093 C ASN A 67 11.354 8.786 -0.219 1.00 4.31 C ATOM 1094 O ASN A 67 11.109 8.281 0.881 1.00 72.31 O ATOM 1095 CB ASN A 67 9.365 10.341 0.238 1.00 71.44 C ATOM 1096 CG ASN A 67 8.558 11.555 -0.217 1.00 12.41 C ATOM 1097 OD1 ASN A 67 8.876 12.694 0.109 1.00 32.11 O ATOM 1098 ND2 ASN A 67 7.514 11.323 -0.987 1.00 0.52 N ATOM 0 H ASN A 67 9.050 9.286 -2.090 1.00 55.22 H new ATOM 0 HA ASN A 67 11.209 10.838 -0.800 1.00 34.35 H new ATOM 0 HB2 ASN A 67 8.701 9.481 0.330 1.00 71.44 H new ATOM 0 HB3 ASN A 67 9.777 10.533 1.229 1.00 71.44 H new ATOM 0 HD21 ASN A 67 6.948 12.101 -1.327 1.00 0.52 H new ATOM 0 HD22 ASN A 67 7.272 10.366 -1.243 1.00 0.52 H new ATOM 1105 N ALA A 68 12.338 8.345 -1.040 1.00 51.14 N ATOM 1106 CA ALA A 68 13.336 7.283 -0.696 1.00 34.20 C ATOM 1107 C ALA A 68 12.695 5.942 -0.220 1.00 2.03 C ATOM 1108 O ALA A 68 12.560 4.997 -1.009 1.00 50.42 O ATOM 1109 CB ALA A 68 14.366 7.817 0.326 1.00 1.24 C ATOM 0 H ALA A 68 12.469 8.720 -1.980 1.00 51.14 H new ATOM 0 HA ALA A 68 13.854 7.037 -1.623 1.00 34.20 H new ATOM 0 HB1 ALA A 68 15.083 7.031 0.564 1.00 1.24 H new ATOM 0 HB2 ALA A 68 14.892 8.671 -0.100 1.00 1.24 H new ATOM 0 HB3 ALA A 68 13.850 8.125 1.235 1.00 1.24 H new ATOM 1115 N VAL A 69 12.284 5.891 1.071 1.00 1.11 N ATOM 1116 CA VAL A 69 11.615 4.718 1.699 1.00 54.31 C ATOM 1117 C VAL A 69 10.314 4.345 0.939 1.00 51.05 C ATOM 1118 O VAL A 69 9.946 3.170 0.843 1.00 53.23 O ATOM 1119 CB VAL A 69 11.273 4.999 3.217 1.00 71.43 C ATOM 1120 CG1 VAL A 69 10.704 3.741 3.924 1.00 25.11 C ATOM 1121 CG2 VAL A 69 12.500 5.554 3.983 1.00 22.02 C ATOM 0 H VAL A 69 12.408 6.672 1.716 1.00 1.11 H new ATOM 0 HA VAL A 69 12.313 3.882 1.643 1.00 54.31 H new ATOM 0 HB VAL A 69 10.496 5.763 3.229 1.00 71.43 H new ATOM 0 HG11 VAL A 69 10.482 3.977 4.965 1.00 25.11 H new ATOM 0 HG12 VAL A 69 9.790 3.423 3.422 1.00 25.11 H new ATOM 0 HG13 VAL A 69 11.439 2.937 3.883 1.00 25.11 H new ATOM 0 HG21 VAL A 69 12.228 5.735 5.023 1.00 22.02 H new ATOM 0 HG22 VAL A 69 13.313 4.829 3.942 1.00 22.02 H new ATOM 0 HG23 VAL A 69 12.823 6.488 3.524 1.00 22.02 H new ATOM 1131 N MET A 70 9.663 5.380 0.373 1.00 5.01 N ATOM 1132 CA MET A 70 8.421 5.257 -0.421 1.00 2.14 C ATOM 1133 C MET A 70 8.593 4.298 -1.645 1.00 5.13 C ATOM 1134 O MET A 70 7.620 3.700 -2.107 1.00 73.40 O ATOM 1135 CB MET A 70 7.964 6.686 -0.861 1.00 41.42 C ATOM 1136 CG MET A 70 6.527 6.784 -1.399 1.00 24.30 C ATOM 1137 SD MET A 70 5.978 8.489 -1.642 1.00 31.14 S ATOM 1138 CE MET A 70 4.240 8.272 -2.067 1.00 43.10 C ATOM 0 H MET A 70 9.990 6.343 0.455 1.00 5.01 H new ATOM 0 HA MET A 70 7.647 4.805 0.199 1.00 2.14 H new ATOM 0 HB2 MET A 70 8.061 7.358 -0.008 1.00 41.42 H new ATOM 0 HB3 MET A 70 8.647 7.046 -1.630 1.00 41.42 H new ATOM 0 HG2 MET A 70 6.462 6.249 -2.346 1.00 24.30 H new ATOM 0 HG3 MET A 70 5.850 6.286 -0.705 1.00 24.30 H new ATOM 0 HE1 MET A 70 3.866 9.178 -2.545 1.00 43.10 H new ATOM 0 HE2 MET A 70 4.135 7.431 -2.752 1.00 43.10 H new ATOM 0 HE3 MET A 70 3.666 8.076 -1.161 1.00 43.10 H new ATOM 1148 N GLU A 71 9.847 4.145 -2.145 1.00 53.34 N ATOM 1149 CA GLU A 71 10.174 3.161 -3.214 1.00 23.31 C ATOM 1150 C GLU A 71 10.152 1.717 -2.676 1.00 64.02 C ATOM 1151 O GLU A 71 9.573 0.828 -3.293 1.00 15.22 O ATOM 1152 CB GLU A 71 11.569 3.446 -3.837 1.00 3.40 C ATOM 1153 CG GLU A 71 11.983 2.451 -4.952 1.00 33.23 C ATOM 1154 CD GLU A 71 13.366 2.739 -5.555 1.00 54.53 C ATOM 1155 OE1 GLU A 71 14.386 2.348 -4.948 1.00 64.54 O ATOM 1156 OE2 GLU A 71 13.444 3.382 -6.623 1.00 45.30 O ATOM 0 H GLU A 71 10.648 4.689 -1.826 1.00 53.34 H new ATOM 0 HA GLU A 71 9.408 3.268 -3.982 1.00 23.31 H new ATOM 0 HB2 GLU A 71 11.572 4.456 -4.247 1.00 3.40 H new ATOM 0 HB3 GLU A 71 12.319 3.421 -3.047 1.00 3.40 H new ATOM 0 HG2 GLU A 71 11.978 1.440 -4.545 1.00 33.23 H new ATOM 0 HG3 GLU A 71 11.237 2.479 -5.746 1.00 33.23 H new ATOM 1163 N GLN A 72 10.812 1.501 -1.522 1.00 1.42 N ATOM 1164 CA GLN A 72 10.935 0.157 -0.904 1.00 0.33 C ATOM 1165 C GLN A 72 9.533 -0.360 -0.474 1.00 15.12 C ATOM 1166 O GLN A 72 9.231 -1.542 -0.602 1.00 41.42 O ATOM 1167 CB GLN A 72 11.938 0.208 0.300 1.00 62.12 C ATOM 1168 CG GLN A 72 12.797 -1.067 0.523 1.00 4.05 C ATOM 1169 CD GLN A 72 11.985 -2.310 0.903 1.00 63.14 C ATOM 1170 OE1 GLN A 72 11.742 -2.577 2.074 1.00 74.15 O ATOM 1171 NE2 GLN A 72 11.589 -3.095 -0.079 1.00 32.52 N ATOM 0 H GLN A 72 11.272 2.242 -0.993 1.00 1.42 H new ATOM 0 HA GLN A 72 11.336 -0.547 -1.634 1.00 0.33 H new ATOM 0 HB2 GLN A 72 12.610 1.054 0.152 1.00 62.12 H new ATOM 0 HB3 GLN A 72 11.372 0.405 1.211 1.00 62.12 H new ATOM 0 HG2 GLN A 72 13.359 -1.277 -0.387 1.00 4.05 H new ATOM 0 HG3 GLN A 72 13.526 -0.868 1.309 1.00 4.05 H new ATOM 0 HE21 GLN A 72 11.804 -2.850 -1.046 1.00 32.52 H new ATOM 0 HE22 GLN A 72 11.068 -3.947 0.128 1.00 32.52 H new ATOM 1180 N LEU A 73 8.686 0.564 0.008 1.00 13.33 N ATOM 1181 CA LEU A 73 7.267 0.291 0.343 1.00 21.25 C ATOM 1182 C LEU A 73 6.463 -0.162 -0.899 1.00 3.34 C ATOM 1183 O LEU A 73 5.726 -1.150 -0.843 1.00 53.20 O ATOM 1184 CB LEU A 73 6.640 1.563 0.965 1.00 50.44 C ATOM 1185 CG LEU A 73 7.203 1.956 2.365 1.00 61.01 C ATOM 1186 CD1 LEU A 73 6.762 3.374 2.779 1.00 61.21 C ATOM 1187 CD2 LEU A 73 6.803 0.906 3.432 1.00 4.14 C ATOM 0 H LEU A 73 8.963 1.531 0.180 1.00 13.33 H new ATOM 0 HA LEU A 73 7.230 -0.527 1.062 1.00 21.25 H new ATOM 0 HB2 LEU A 73 6.793 2.398 0.281 1.00 50.44 H new ATOM 0 HB3 LEU A 73 5.564 1.415 1.051 1.00 50.44 H new ATOM 0 HG LEU A 73 8.291 1.968 2.294 1.00 61.01 H new ATOM 0 HD11 LEU A 73 7.174 3.611 3.760 1.00 61.21 H new ATOM 0 HD12 LEU A 73 7.126 4.096 2.048 1.00 61.21 H new ATOM 0 HD13 LEU A 73 5.674 3.418 2.822 1.00 61.21 H new ATOM 0 HD21 LEU A 73 7.206 1.200 4.401 1.00 4.14 H new ATOM 0 HD22 LEU A 73 5.716 0.846 3.494 1.00 4.14 H new ATOM 0 HD23 LEU A 73 7.205 -0.068 3.152 1.00 4.14 H new ATOM 1199 N LEU A 74 6.627 0.583 -2.011 1.00 64.10 N ATOM 1200 CA LEU A 74 6.052 0.245 -3.342 1.00 62.03 C ATOM 1201 C LEU A 74 6.463 -1.187 -3.758 1.00 64.42 C ATOM 1202 O LEU A 74 5.623 -2.001 -4.166 1.00 32.13 O ATOM 1203 CB LEU A 74 6.560 1.317 -4.365 1.00 3.05 C ATOM 1204 CG LEU A 74 5.986 1.315 -5.833 1.00 21.35 C ATOM 1205 CD1 LEU A 74 6.261 2.671 -6.511 1.00 30.20 C ATOM 1206 CD2 LEU A 74 6.558 0.177 -6.719 1.00 13.11 C ATOM 0 H LEU A 74 7.168 1.448 -2.017 1.00 64.10 H new ATOM 0 HA LEU A 74 4.963 0.261 -3.311 1.00 62.03 H new ATOM 0 HB2 LEU A 74 6.360 2.299 -3.937 1.00 3.05 H new ATOM 0 HB3 LEU A 74 7.643 1.214 -4.436 1.00 3.05 H new ATOM 0 HG LEU A 74 4.914 1.141 -5.739 1.00 21.35 H new ATOM 0 HD11 LEU A 74 5.860 2.659 -7.525 1.00 30.20 H new ATOM 0 HD12 LEU A 74 5.782 3.467 -5.941 1.00 30.20 H new ATOM 0 HD13 LEU A 74 7.336 2.848 -6.548 1.00 30.20 H new ATOM 0 HD21 LEU A 74 6.120 0.236 -7.715 1.00 13.11 H new ATOM 0 HD22 LEU A 74 7.640 0.282 -6.792 1.00 13.11 H new ATOM 0 HD23 LEU A 74 6.316 -0.788 -6.273 1.00 13.11 H new ATOM 1218 N GLU A 75 7.771 -1.462 -3.629 1.00 22.15 N ATOM 1219 CA GLU A 75 8.384 -2.759 -3.968 1.00 40.44 C ATOM 1220 C GLU A 75 7.765 -3.909 -3.138 1.00 1.44 C ATOM 1221 O GLU A 75 7.490 -4.986 -3.671 1.00 2.15 O ATOM 1222 CB GLU A 75 9.917 -2.670 -3.723 1.00 15.35 C ATOM 1223 CG GLU A 75 10.713 -3.932 -4.098 1.00 73.54 C ATOM 1224 CD GLU A 75 12.209 -3.831 -3.747 1.00 52.53 C ATOM 1225 OE1 GLU A 75 12.593 -4.203 -2.613 1.00 1.31 O ATOM 1226 OE2 GLU A 75 13.003 -3.379 -4.597 1.00 0.25 O ATOM 0 H GLU A 75 8.444 -0.779 -3.281 1.00 22.15 H new ATOM 0 HA GLU A 75 8.191 -2.979 -5.018 1.00 40.44 H new ATOM 0 HB2 GLU A 75 10.312 -1.828 -4.292 1.00 15.35 H new ATOM 0 HB3 GLU A 75 10.089 -2.451 -2.669 1.00 15.35 H new ATOM 0 HG2 GLU A 75 10.283 -4.791 -3.584 1.00 73.54 H new ATOM 0 HG3 GLU A 75 10.609 -4.115 -5.167 1.00 73.54 H new ATOM 1233 N GLU A 76 7.535 -3.644 -1.839 1.00 52.13 N ATOM 1234 CA GLU A 76 6.912 -4.604 -0.910 1.00 74.40 C ATOM 1235 C GLU A 76 5.444 -4.916 -1.280 1.00 74.12 C ATOM 1236 O GLU A 76 5.030 -6.062 -1.192 1.00 32.22 O ATOM 1237 CB GLU A 76 7.015 -4.088 0.553 1.00 42.35 C ATOM 1238 CG GLU A 76 8.437 -4.131 1.149 1.00 13.25 C ATOM 1239 CD GLU A 76 9.066 -5.539 1.103 1.00 41.45 C ATOM 1240 OE1 GLU A 76 8.493 -6.465 1.707 1.00 22.12 O ATOM 1241 OE2 GLU A 76 10.132 -5.730 0.472 1.00 64.21 O ATOM 0 H GLU A 76 7.777 -2.754 -1.403 1.00 52.13 H new ATOM 0 HA GLU A 76 7.464 -5.540 -0.996 1.00 74.40 H new ATOM 0 HB2 GLU A 76 6.651 -3.061 0.589 1.00 42.35 H new ATOM 0 HB3 GLU A 76 6.353 -4.683 1.182 1.00 42.35 H new ATOM 0 HG2 GLU A 76 9.075 -3.436 0.604 1.00 13.25 H new ATOM 0 HG3 GLU A 76 8.402 -3.788 2.183 1.00 13.25 H new ATOM 1248 N ILE A 77 4.682 -3.898 -1.707 1.00 24.31 N ATOM 1249 CA ILE A 77 3.275 -4.073 -2.165 1.00 33.54 C ATOM 1250 C ILE A 77 3.199 -5.023 -3.394 1.00 34.13 C ATOM 1251 O ILE A 77 2.312 -5.882 -3.480 1.00 33.31 O ATOM 1252 CB ILE A 77 2.626 -2.673 -2.495 1.00 64.33 C ATOM 1253 CG1 ILE A 77 2.608 -1.784 -1.214 1.00 52.12 C ATOM 1254 CG2 ILE A 77 1.201 -2.809 -3.090 1.00 33.54 C ATOM 1255 CD1 ILE A 77 2.206 -0.342 -1.436 1.00 31.15 C ATOM 0 H ILE A 77 5.010 -2.933 -1.749 1.00 24.31 H new ATOM 0 HA ILE A 77 2.709 -4.534 -1.356 1.00 33.54 H new ATOM 0 HB ILE A 77 3.239 -2.195 -3.259 1.00 64.33 H new ATOM 0 HG12 ILE A 77 1.923 -2.229 -0.492 1.00 52.12 H new ATOM 0 HG13 ILE A 77 3.601 -1.803 -0.764 1.00 52.12 H new ATOM 0 HG21 ILE A 77 0.798 -1.818 -3.300 1.00 33.54 H new ATOM 0 HG22 ILE A 77 1.246 -3.385 -4.014 1.00 33.54 H new ATOM 0 HG23 ILE A 77 0.555 -3.319 -2.375 1.00 33.54 H new ATOM 0 HD11 ILE A 77 2.225 0.191 -0.486 1.00 31.15 H new ATOM 0 HD12 ILE A 77 2.904 0.128 -2.129 1.00 31.15 H new ATOM 0 HD13 ILE A 77 1.200 -0.305 -1.853 1.00 31.15 H new ATOM 1267 N GLU A 78 4.171 -4.881 -4.310 1.00 15.01 N ATOM 1268 CA GLU A 78 4.296 -5.753 -5.501 1.00 15.32 C ATOM 1269 C GLU A 78 4.706 -7.195 -5.096 1.00 24.45 C ATOM 1270 O GLU A 78 4.166 -8.178 -5.614 1.00 42.22 O ATOM 1271 CB GLU A 78 5.325 -5.143 -6.488 1.00 31.42 C ATOM 1272 CG GLU A 78 5.429 -5.882 -7.842 1.00 34.15 C ATOM 1273 CD GLU A 78 6.414 -5.233 -8.833 1.00 50.34 C ATOM 1274 OE1 GLU A 78 6.261 -4.023 -9.128 1.00 31.11 O ATOM 1275 OE2 GLU A 78 7.308 -5.935 -9.357 1.00 30.34 O ATOM 0 H GLU A 78 4.893 -4.162 -4.251 1.00 15.01 H new ATOM 0 HA GLU A 78 3.326 -5.814 -5.994 1.00 15.32 H new ATOM 0 HB2 GLU A 78 5.058 -4.103 -6.675 1.00 31.42 H new ATOM 0 HB3 GLU A 78 6.306 -5.139 -6.014 1.00 31.42 H new ATOM 0 HG2 GLU A 78 5.737 -6.912 -7.660 1.00 34.15 H new ATOM 0 HG3 GLU A 78 4.441 -5.921 -8.300 1.00 34.15 H new ATOM 1282 N LYS A 79 5.657 -7.296 -4.150 1.00 63.33 N ATOM 1283 CA LYS A 79 6.109 -8.586 -3.577 1.00 61.02 C ATOM 1284 C LYS A 79 4.982 -9.305 -2.794 1.00 40.30 C ATOM 1285 O LYS A 79 4.956 -10.532 -2.735 1.00 4.32 O ATOM 1286 CB LYS A 79 7.344 -8.360 -2.663 1.00 73.41 C ATOM 1287 CG LYS A 79 8.649 -8.033 -3.423 1.00 12.33 C ATOM 1288 CD LYS A 79 9.812 -7.664 -2.475 1.00 54.50 C ATOM 1289 CE LYS A 79 11.149 -7.502 -3.219 1.00 62.42 C ATOM 1290 NZ LYS A 79 12.245 -7.037 -2.324 1.00 43.50 N ATOM 0 H LYS A 79 6.137 -6.486 -3.758 1.00 63.33 H new ATOM 0 HA LYS A 79 6.388 -9.234 -4.408 1.00 61.02 H new ATOM 0 HB2 LYS A 79 7.126 -7.545 -1.973 1.00 73.41 H new ATOM 0 HB3 LYS A 79 7.503 -9.254 -2.060 1.00 73.41 H new ATOM 0 HG2 LYS A 79 8.937 -8.892 -4.029 1.00 12.33 H new ATOM 0 HG3 LYS A 79 8.468 -7.206 -4.109 1.00 12.33 H new ATOM 0 HD2 LYS A 79 9.573 -6.735 -1.957 1.00 54.50 H new ATOM 0 HD3 LYS A 79 9.915 -8.437 -1.713 1.00 54.50 H new ATOM 0 HE2 LYS A 79 11.430 -8.455 -3.667 1.00 62.42 H new ATOM 0 HE3 LYS A 79 11.024 -6.790 -4.035 1.00 62.42 H new ATOM 0 HZ1 LYS A 79 13.128 -7.526 -2.574 1.00 43.50 H new ATOM 0 HZ2 LYS A 79 12.374 -6.011 -2.437 1.00 43.50 H new ATOM 0 HZ3 LYS A 79 12.000 -7.249 -1.336 1.00 43.50 H new ATOM 1304 N LEU A 80 4.073 -8.524 -2.183 1.00 53.42 N ATOM 1305 CA LEU A 80 2.885 -9.050 -1.466 1.00 61.44 C ATOM 1306 C LEU A 80 1.836 -9.614 -2.456 1.00 0.20 C ATOM 1307 O LEU A 80 1.128 -10.557 -2.123 1.00 33.11 O ATOM 1308 CB LEU A 80 2.262 -7.949 -0.533 1.00 25.31 C ATOM 1309 CG LEU A 80 2.682 -7.991 0.980 1.00 73.43 C ATOM 1310 CD1 LEU A 80 2.110 -9.235 1.683 1.00 31.34 C ATOM 1311 CD2 LEU A 80 4.213 -7.925 1.159 1.00 5.52 C ATOM 0 H LEU A 80 4.137 -7.506 -2.169 1.00 53.42 H new ATOM 0 HA LEU A 80 3.211 -9.876 -0.834 1.00 61.44 H new ATOM 0 HB2 LEU A 80 2.529 -6.971 -0.934 1.00 25.31 H new ATOM 0 HB3 LEU A 80 1.176 -8.030 -0.588 1.00 25.31 H new ATOM 0 HG LEU A 80 2.258 -7.103 1.449 1.00 73.43 H new ATOM 0 HD11 LEU A 80 2.418 -9.236 2.729 1.00 31.34 H new ATOM 0 HD12 LEU A 80 1.022 -9.217 1.625 1.00 31.34 H new ATOM 0 HD13 LEU A 80 2.485 -10.134 1.194 1.00 31.34 H new ATOM 0 HD21 LEU A 80 4.457 -7.957 2.221 1.00 5.52 H new ATOM 0 HD22 LEU A 80 4.675 -8.774 0.655 1.00 5.52 H new ATOM 0 HD23 LEU A 80 4.590 -6.998 0.728 1.00 5.52 H new ATOM 1323 N LEU A 81 1.746 -9.021 -3.662 1.00 10.14 N ATOM 1324 CA LEU A 81 0.883 -9.545 -4.756 1.00 3.45 C ATOM 1325 C LEU A 81 1.366 -10.913 -5.257 1.00 65.51 C ATOM 1326 O LEU A 81 0.572 -11.839 -5.433 1.00 11.03 O ATOM 1327 CB LEU A 81 0.845 -8.551 -5.939 1.00 5.31 C ATOM 1328 CG LEU A 81 0.064 -7.241 -5.678 1.00 13.45 C ATOM 1329 CD1 LEU A 81 0.159 -6.290 -6.885 1.00 35.05 C ATOM 1330 CD2 LEU A 81 -1.406 -7.560 -5.315 1.00 11.24 C ATOM 0 H LEU A 81 2.260 -8.176 -3.911 1.00 10.14 H new ATOM 0 HA LEU A 81 -0.119 -9.665 -4.345 1.00 3.45 H new ATOM 0 HB2 LEU A 81 1.869 -8.296 -6.211 1.00 5.31 H new ATOM 0 HB3 LEU A 81 0.403 -9.053 -6.800 1.00 5.31 H new ATOM 0 HG LEU A 81 0.517 -6.727 -4.830 1.00 13.45 H new ATOM 0 HD11 LEU A 81 -0.399 -5.378 -6.674 1.00 35.05 H new ATOM 0 HD12 LEU A 81 1.204 -6.042 -7.071 1.00 35.05 H new ATOM 0 HD13 LEU A 81 -0.261 -6.777 -7.765 1.00 35.05 H new ATOM 0 HD21 LEU A 81 -1.946 -6.631 -5.133 1.00 11.24 H new ATOM 0 HD22 LEU A 81 -1.876 -8.098 -6.139 1.00 11.24 H new ATOM 0 HD23 LEU A 81 -1.433 -8.177 -4.417 1.00 11.24 H new ATOM 1342 N LYS A 82 2.678 -11.008 -5.500 1.00 23.23 N ATOM 1343 CA LYS A 82 3.323 -12.257 -5.945 1.00 75.12 C ATOM 1344 C LYS A 82 3.298 -13.327 -4.829 1.00 71.12 C ATOM 1345 O LYS A 82 3.255 -14.513 -5.108 1.00 65.14 O ATOM 1346 CB LYS A 82 4.770 -11.971 -6.411 1.00 11.42 C ATOM 1347 CG LYS A 82 4.875 -10.899 -7.522 1.00 32.15 C ATOM 1348 CD LYS A 82 6.320 -10.705 -8.045 1.00 34.31 C ATOM 1349 CE LYS A 82 6.846 -11.931 -8.810 1.00 22.44 C ATOM 1350 NZ LYS A 82 8.258 -11.761 -9.250 1.00 40.31 N ATOM 0 H LYS A 82 3.324 -10.226 -5.395 1.00 23.23 H new ATOM 0 HA LYS A 82 2.760 -12.654 -6.789 1.00 75.12 H new ATOM 0 HB2 LYS A 82 5.360 -11.649 -5.553 1.00 11.42 H new ATOM 0 HB3 LYS A 82 5.214 -12.898 -6.773 1.00 11.42 H new ATOM 0 HG2 LYS A 82 4.229 -11.181 -8.353 1.00 32.15 H new ATOM 0 HG3 LYS A 82 4.503 -9.949 -7.138 1.00 32.15 H new ATOM 0 HD2 LYS A 82 6.351 -9.834 -8.699 1.00 34.31 H new ATOM 0 HD3 LYS A 82 6.981 -10.496 -7.204 1.00 34.31 H new ATOM 0 HE2 LYS A 82 6.770 -12.813 -8.174 1.00 22.44 H new ATOM 0 HE3 LYS A 82 6.216 -12.111 -9.681 1.00 22.44 H new ATOM 0 HZ1 LYS A 82 8.567 -12.612 -9.761 1.00 40.31 H new ATOM 0 HZ2 LYS A 82 8.329 -10.935 -9.878 1.00 40.31 H new ATOM 0 HZ3 LYS A 82 8.866 -11.616 -8.419 1.00 40.31 H new ATOM 1364 N LYS A 83 3.346 -12.860 -3.568 1.00 31.42 N ATOM 1365 CA LYS A 83 3.240 -13.709 -2.358 1.00 11.32 C ATOM 1366 C LYS A 83 1.799 -14.242 -2.143 1.00 21.02 C ATOM 1367 O LYS A 83 1.608 -15.371 -1.692 1.00 61.34 O ATOM 1368 CB LYS A 83 3.699 -12.884 -1.130 1.00 12.41 C ATOM 1369 CG LYS A 83 3.817 -13.655 0.202 1.00 43.31 C ATOM 1370 CD LYS A 83 4.353 -12.775 1.370 1.00 2.24 C ATOM 1371 CE LYS A 83 5.851 -12.391 1.240 1.00 70.51 C ATOM 1372 NZ LYS A 83 6.153 -11.471 0.103 1.00 40.31 N ATOM 0 H LYS A 83 3.461 -11.869 -3.354 1.00 31.42 H new ATOM 0 HA LYS A 83 3.882 -14.580 -2.489 1.00 11.32 H new ATOM 0 HB2 LYS A 83 4.669 -12.442 -1.357 1.00 12.41 H new ATOM 0 HB3 LYS A 83 2.999 -12.061 -0.989 1.00 12.41 H new ATOM 0 HG2 LYS A 83 2.839 -14.052 0.473 1.00 43.31 H new ATOM 0 HG3 LYS A 83 4.481 -14.509 0.064 1.00 43.31 H new ATOM 0 HD2 LYS A 83 3.759 -11.863 1.425 1.00 2.24 H new ATOM 0 HD3 LYS A 83 4.206 -13.308 2.309 1.00 2.24 H new ATOM 0 HE2 LYS A 83 6.175 -11.921 2.168 1.00 70.51 H new ATOM 0 HE3 LYS A 83 6.438 -13.301 1.121 1.00 70.51 H new ATOM 0 HZ1 LYS A 83 6.904 -10.808 0.383 1.00 40.31 H new ATOM 0 HZ2 LYS A 83 6.469 -12.026 -0.718 1.00 40.31 H new ATOM 0 HZ3 LYS A 83 5.297 -10.937 -0.148 1.00 40.31 H new ATOM 1386 N ALA A 84 0.796 -13.403 -2.457 1.00 44.12 N ATOM 1387 CA ALA A 84 -0.637 -13.739 -2.271 1.00 75.12 C ATOM 1388 C ALA A 84 -1.260 -14.397 -3.527 1.00 61.41 C ATOM 1389 O ALA A 84 -2.335 -14.998 -3.445 1.00 60.10 O ATOM 1390 CB ALA A 84 -1.424 -12.471 -1.890 1.00 30.24 C ATOM 0 H ALA A 84 0.950 -12.473 -2.847 1.00 44.12 H new ATOM 0 HA ALA A 84 -0.699 -14.470 -1.465 1.00 75.12 H new ATOM 0 HB1 ALA A 84 -2.476 -12.723 -1.754 1.00 30.24 H new ATOM 0 HB2 ALA A 84 -1.026 -12.061 -0.962 1.00 30.24 H new ATOM 0 HB3 ALA A 84 -1.327 -11.731 -2.684 1.00 30.24 H new