USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1067 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 115 GLN : amide:sc= -2.92 K(o=-2.8,f=-1.5) USER MOD Set 1.2: A 117 TYR OH : rot -35:sc= 0.148 USER MOD Set 2.1: A 98 ASN : amide:sc= 0.724 K(o=-2.9,f=-4.7) USER MOD Set 2.2: A 100 ASN : amide:sc= -3.65! C(o=-2.9!,f=-8.2!) USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= -0.0701 USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 4 SER OG : rot 90:sc= 0.963 USER MOD Set 4.2: A 130 LYS NZ :NH3+ 152:sc= 1.45 (180deg=-0.12) USER MOD Single : A 0 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 0 GLN N :NH3+ -126:sc= 0.0241 (180deg=-0.376) USER MOD Single : A 7 LYS NZ :NH3+ -112:sc= 1.71 (180deg=0.623) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -8.91! K(o=-8.9!,f=-1.2) USER MOD Single : A 14 TYR OH : rot 153:sc= 0.545 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -129:sc=-0.00765 (180deg=-1.05) USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= 1.28 (180deg=1.11) USER MOD Single : A 21 MET CE :methyl 141:sc= -2.6 (180deg=-10.9!) USER MOD Single : A 24 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.58) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= -0.166 (180deg=-1.07) USER MOD Single : A 33 HIS : no HD1:sc= -0.553 K(o=-0.55,f=0.14) USER MOD Single : A 35 ASN : amide:sc= 0.0103 X(o=0.01,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 149:sc= 0.993 (180deg=0.412) USER MOD Single : A 41 THR OG1 : rot 42:sc= 0.845 USER MOD Single : A 42 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.5) USER MOD Single : A 45 ASN : amide:sc= -0.809 X(o=-0.81,f=-0.65) USER MOD Single : A 46 LYS NZ :NH3+ -122:sc= 1.14 (180deg=-0.138) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0554 USER MOD Single : A 53 SER OG : rot -42:sc= 1.02 USER MOD Single : A 57 ASN : amide:sc= -0.148 K(o=-0.15,f=-0.83) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -3.23 K(o=-3.2,f=-7!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0.545 USER MOD Single : A 71 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 114:sc= -3.77! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -177:sc= 1.68 (180deg=1.66) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= -0.0174 (180deg=-1.56!) USER MOD Single : A 96 THR OG1 : rot -41:sc= 0.108 USER MOD Single : A 103 ASN : amide:sc= -0.879 K(o=-0.88,f=-2.2!) USER MOD Single : A 104 THR OG1 : rot 129:sc= 1.56 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.817 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -110:sc= 2.35 (180deg=0.474) USER MOD Single : A 129 LYS NZ :NH3+ -142:sc= 0.814 (180deg=-0.31!) USER MOD ----------------------------------------------------------------- ATOM 152 N GLN A 0 -16.292 -2.066 -2.193 1.00 60.44 N ATOM 153 CA GLN A 0 -14.877 -1.804 -2.524 1.00 61.24 C ATOM 154 C GLN A 0 -14.163 -3.084 -2.982 1.00 12.20 C ATOM 155 O GLN A 0 -14.690 -4.190 -2.832 1.00 22.10 O ATOM 156 CB GLN A 0 -14.126 -1.211 -1.320 1.00 71.13 C ATOM 157 CG GLN A 0 -14.631 0.158 -0.882 1.00 5.53 C ATOM 158 CD GLN A 0 -14.559 0.351 0.620 1.00 15.54 C ATOM 159 OE1 GLN A 0 -15.579 0.329 1.310 1.00 60.43 O ATOM 160 NE2 GLN A 0 -13.348 0.543 1.135 1.00 54.33 N ATOM 0 H1 GLN A 0 -16.900 -1.417 -2.732 1.00 60.44 H new ATOM 0 H2 GLN A 0 -16.530 -3.048 -2.439 1.00 60.44 H new ATOM 0 H3 GLN A 0 -16.444 -1.917 -1.175 1.00 60.44 H new ATOM 0 HA GLN A 0 -14.871 -1.083 -3.341 1.00 61.24 H new ATOM 0 HB2 GLN A 0 -14.206 -1.901 -0.480 1.00 71.13 H new ATOM 0 HB3 GLN A 0 -13.068 -1.133 -1.569 1.00 71.13 H new ATOM 0 HG2 GLN A 0 -14.042 0.933 -1.373 1.00 5.53 H new ATOM 0 HG3 GLN A 0 -15.662 0.284 -1.212 1.00 5.53 H new ATOM 0 HE21 GLN A 0 -12.530 0.554 0.525 1.00 54.33 H new ATOM 0 HE22 GLN A 0 -13.237 0.680 2.140 1.00 54.33 H new ATOM 169 N ALA A 1 -12.959 -2.918 -3.545 1.00 1.21 N ATOM 170 CA ALA A 1 -12.162 -4.049 -4.034 1.00 51.03 C ATOM 171 C ALA A 1 -10.907 -4.292 -3.190 1.00 53.42 C ATOM 172 O ALA A 1 -10.637 -5.421 -2.780 1.00 62.43 O ATOM 173 CB ALA A 1 -11.760 -3.825 -5.490 1.00 43.55 C ATOM 0 H ALA A 1 -12.515 -2.009 -3.673 1.00 1.21 H new ATOM 0 HA ALA A 1 -12.792 -4.935 -3.953 1.00 51.03 H new ATOM 0 HB1 ALA A 1 -11.169 -4.672 -5.839 1.00 43.55 H new ATOM 0 HB2 ALA A 1 -12.655 -3.730 -6.104 1.00 43.55 H new ATOM 0 HB3 ALA A 1 -11.168 -2.913 -5.568 1.00 43.55 H new ATOM 179 N PHE A 2 -10.126 -3.231 -2.975 1.00 12.32 N ATOM 180 CA PHE A 2 -8.865 -3.321 -2.223 1.00 61.12 C ATOM 181 C PHE A 2 -9.035 -3.870 -0.801 1.00 42.03 C ATOM 182 O PHE A 2 -8.114 -4.493 -0.274 1.00 2.02 O ATOM 183 CB PHE A 2 -8.180 -1.951 -2.160 1.00 20.43 C ATOM 184 CG PHE A 2 -7.584 -1.509 -3.471 1.00 25.30 C ATOM 185 CD1 PHE A 2 -6.292 -1.870 -3.815 1.00 43.11 C ATOM 186 CD2 PHE A 2 -8.316 -0.733 -4.357 1.00 54.23 C ATOM 187 CE1 PHE A 2 -5.740 -1.465 -5.017 1.00 23.22 C ATOM 188 CE2 PHE A 2 -7.769 -0.325 -5.559 1.00 4.22 C ATOM 189 CZ PHE A 2 -6.480 -0.692 -5.889 1.00 35.41 C ATOM 0 H PHE A 2 -10.343 -2.293 -3.312 1.00 12.32 H new ATOM 0 HA PHE A 2 -8.244 -4.032 -2.768 1.00 61.12 H new ATOM 0 HB2 PHE A 2 -8.906 -1.207 -1.832 1.00 20.43 H new ATOM 0 HB3 PHE A 2 -7.393 -1.983 -1.406 1.00 20.43 H new ATOM 0 HD1 PHE A 2 -5.708 -2.475 -3.137 1.00 43.11 H new ATOM 0 HD2 PHE A 2 -9.326 -0.444 -4.105 1.00 54.23 H new ATOM 0 HE1 PHE A 2 -4.731 -1.753 -5.273 1.00 23.22 H new ATOM 0 HE2 PHE A 2 -8.350 0.280 -6.239 1.00 4.22 H new ATOM 0 HZ PHE A 2 -6.051 -0.375 -6.828 1.00 35.41 H new ATOM 199 N ASP A 3 -10.192 -3.620 -0.181 1.00 52.44 N ATOM 200 CA ASP A 3 -10.464 -4.073 1.191 1.00 71.12 C ATOM 201 C ASP A 3 -10.399 -5.605 1.324 1.00 12.10 C ATOM 202 O ASP A 3 -11.430 -6.273 1.411 1.00 13.51 O ATOM 203 CB ASP A 3 -11.839 -3.555 1.642 1.00 72.23 C ATOM 204 CG ASP A 3 -12.990 -4.148 0.848 1.00 2.24 C ATOM 205 OD1 ASP A 3 -13.006 -3.986 -0.389 1.00 42.25 O ATOM 206 OD2 ASP A 3 -13.873 -4.780 1.465 1.00 51.42 O ATOM 0 H ASP A 3 -10.961 -3.104 -0.608 1.00 52.44 H new ATOM 0 HA ASP A 3 -9.686 -3.665 1.836 1.00 71.12 H new ATOM 0 HB2 ASP A 3 -11.978 -3.785 2.698 1.00 72.23 H new ATOM 0 HB3 ASP A 3 -11.861 -2.469 1.546 1.00 72.23 H new ATOM 211 N SER A 4 -9.184 -6.164 1.337 1.00 65.31 N ATOM 212 CA SER A 4 -9.013 -7.612 1.456 1.00 13.01 C ATOM 213 C SER A 4 -7.744 -7.976 2.235 1.00 4.51 C ATOM 214 O SER A 4 -7.080 -7.110 2.806 1.00 13.23 O ATOM 215 CB SER A 4 -8.980 -8.255 0.063 1.00 23.22 C ATOM 216 OG SER A 4 -10.120 -7.893 -0.706 1.00 34.23 O ATOM 0 H SER A 4 -8.312 -5.639 1.267 1.00 65.31 H new ATOM 0 HA SER A 4 -9.865 -8.000 2.015 1.00 13.01 H new ATOM 0 HB2 SER A 4 -8.075 -7.947 -0.460 1.00 23.22 H new ATOM 0 HB3 SER A 4 -8.937 -9.340 0.163 1.00 23.22 H new ATOM 0 HG SER A 4 -9.928 -7.075 -1.210 1.00 34.23 H new ATOM 222 N THR A 5 -7.407 -9.268 2.224 1.00 11.40 N ATOM 223 CA THR A 5 -6.213 -9.775 2.891 1.00 54.54 C ATOM 224 C THR A 5 -5.322 -10.475 1.865 1.00 53.03 C ATOM 225 O THR A 5 -5.613 -11.596 1.440 1.00 21.32 O ATOM 226 CB THR A 5 -6.598 -10.740 4.023 1.00 4.00 C ATOM 227 OG1 THR A 5 -7.073 -10.024 5.149 1.00 55.32 O ATOM 228 CG2 THR A 5 -5.454 -11.620 4.492 1.00 64.44 C ATOM 0 H THR A 5 -7.955 -9.988 1.753 1.00 11.40 H new ATOM 0 HA THR A 5 -5.665 -8.943 3.333 1.00 54.54 H new ATOM 0 HB THR A 5 -7.371 -11.380 3.598 1.00 4.00 H new ATOM 0 HG1 THR A 5 -7.315 -10.654 5.859 1.00 55.32 H new ATOM 0 HG21 THR A 5 -5.802 -12.274 5.292 1.00 64.44 H new ATOM 0 HG22 THR A 5 -5.095 -12.225 3.659 1.00 64.44 H new ATOM 0 HG23 THR A 5 -4.642 -10.994 4.862 1.00 64.44 H new ATOM 236 N TRP A 6 -4.246 -9.801 1.458 1.00 12.00 N ATOM 237 CA TRP A 6 -3.324 -10.354 0.470 1.00 43.53 C ATOM 238 C TRP A 6 -1.946 -10.599 1.080 1.00 40.31 C ATOM 239 O TRP A 6 -1.356 -9.710 1.696 1.00 40.14 O ATOM 240 CB TRP A 6 -3.200 -9.441 -0.768 1.00 43.22 C ATOM 241 CG TRP A 6 -4.347 -8.496 -0.981 1.00 0.41 C ATOM 242 CD1 TRP A 6 -4.804 -7.511 -0.148 1.00 72.24 C ATOM 243 CD2 TRP A 6 -5.169 -8.452 -2.136 1.00 1.31 C ATOM 244 NE1 TRP A 6 -5.882 -6.877 -0.722 1.00 3.32 N ATOM 245 CE2 TRP A 6 -6.122 -7.440 -1.947 1.00 51.03 C ATOM 246 CE3 TRP A 6 -5.181 -9.189 -3.308 1.00 31.30 C ATOM 247 CZ2 TRP A 6 -7.091 -7.146 -2.904 1.00 20.11 C ATOM 248 CZ3 TRP A 6 -6.137 -8.905 -4.263 1.00 20.32 C ATOM 249 CH2 TRP A 6 -7.084 -7.889 -4.056 1.00 71.32 C ATOM 0 H TRP A 6 -3.993 -8.873 1.797 1.00 12.00 H new ATOM 0 HA TRP A 6 -3.738 -11.309 0.147 1.00 43.53 H new ATOM 0 HB2 TRP A 6 -2.282 -8.860 -0.681 1.00 43.22 H new ATOM 0 HB3 TRP A 6 -3.097 -10.068 -1.654 1.00 43.22 H new ATOM 0 HD1 TRP A 6 -4.382 -7.268 0.816 1.00 72.24 H new ATOM 0 HE1 TRP A 6 -6.414 -6.114 -0.304 1.00 3.32 H new ATOM 0 HE3 TRP A 6 -4.456 -9.972 -3.472 1.00 31.30 H new ATOM 0 HZ2 TRP A 6 -7.819 -6.364 -2.745 1.00 20.11 H new ATOM 0 HZ3 TRP A 6 -6.157 -9.472 -5.182 1.00 20.32 H new ATOM 0 HH2 TRP A 6 -7.821 -7.689 -4.819 1.00 71.32 H new ATOM 260 N LYS A 7 -1.446 -11.819 0.894 1.00 60.22 N ATOM 261 CA LYS A 7 -0.139 -12.223 1.408 1.00 24.32 C ATOM 262 C LYS A 7 0.895 -12.231 0.289 1.00 55.24 C ATOM 263 O LYS A 7 0.547 -12.409 -0.882 1.00 63.54 O ATOM 264 CB LYS A 7 -0.248 -13.614 2.049 1.00 64.51 C ATOM 265 CG LYS A 7 -0.280 -14.764 1.052 1.00 73.52 C ATOM 266 CD LYS A 7 0.564 -15.935 1.533 1.00 63.34 C ATOM 267 CE LYS A 7 0.595 -17.063 0.513 1.00 44.11 C ATOM 268 NZ LYS A 7 1.640 -16.851 -0.527 1.00 63.22 N ATOM 0 H LYS A 7 -1.935 -12.554 0.383 1.00 60.22 H new ATOM 0 HA LYS A 7 0.185 -11.506 2.163 1.00 24.32 H new ATOM 0 HB2 LYS A 7 0.596 -13.757 2.724 1.00 64.51 H new ATOM 0 HB3 LYS A 7 -1.152 -13.651 2.657 1.00 64.51 H new ATOM 0 HG2 LYS A 7 -1.309 -15.091 0.904 1.00 73.52 H new ATOM 0 HG3 LYS A 7 0.088 -14.421 0.085 1.00 73.52 H new ATOM 0 HD2 LYS A 7 1.581 -15.594 1.730 1.00 63.34 H new ATOM 0 HD3 LYS A 7 0.165 -16.308 2.476 1.00 63.34 H new ATOM 0 HE2 LYS A 7 0.780 -18.008 1.024 1.00 44.11 H new ATOM 0 HE3 LYS A 7 -0.381 -17.145 0.034 1.00 44.11 H new ATOM 0 HZ1 LYS A 7 1.185 -16.669 -1.444 1.00 63.22 H new ATOM 0 HZ2 LYS A 7 2.230 -16.035 -0.265 1.00 63.22 H new ATOM 0 HZ3 LYS A 7 2.236 -17.700 -0.599 1.00 63.22 H new ATOM 282 N VAL A 8 2.169 -12.043 0.644 1.00 72.24 N ATOM 283 CA VAL A 8 3.225 -12.043 -0.358 1.00 61.43 C ATOM 284 C VAL A 8 3.198 -13.341 -1.144 1.00 22.33 C ATOM 285 O VAL A 8 3.387 -14.428 -0.590 1.00 12.22 O ATOM 286 CB VAL A 8 4.637 -11.860 0.240 1.00 12.31 C ATOM 287 CG1 VAL A 8 5.700 -12.423 -0.700 1.00 15.10 C ATOM 288 CG2 VAL A 8 4.931 -10.404 0.492 1.00 1.21 C ATOM 0 H VAL A 8 2.485 -11.892 1.602 1.00 72.24 H new ATOM 0 HA VAL A 8 3.026 -11.188 -1.005 1.00 61.43 H new ATOM 0 HB VAL A 8 4.663 -12.402 1.185 1.00 12.31 H new ATOM 0 HG11 VAL A 8 6.687 -12.283 -0.259 1.00 15.10 H new ATOM 0 HG12 VAL A 8 5.520 -13.486 -0.857 1.00 15.10 H new ATOM 0 HG13 VAL A 8 5.653 -11.902 -1.656 1.00 15.10 H new ATOM 0 HG21 VAL A 8 5.931 -10.302 0.913 1.00 1.21 H new ATOM 0 HG22 VAL A 8 4.875 -9.854 -0.447 1.00 1.21 H new ATOM 0 HG23 VAL A 8 4.200 -10.001 1.193 1.00 1.21 H new ATOM 298 N ASP A 9 2.969 -13.214 -2.434 1.00 13.03 N ATOM 299 CA ASP A 9 2.928 -14.363 -3.314 1.00 45.52 C ATOM 300 C ASP A 9 4.118 -14.349 -4.262 1.00 52.21 C ATOM 301 O ASP A 9 4.538 -15.400 -4.752 1.00 1.15 O ATOM 302 CB ASP A 9 1.619 -14.375 -4.092 1.00 72.11 C ATOM 303 CG ASP A 9 0.728 -15.526 -3.677 1.00 25.33 C ATOM 304 OD1 ASP A 9 0.286 -15.541 -2.507 1.00 3.20 O ATOM 305 OD2 ASP A 9 0.476 -16.417 -4.514 1.00 43.25 O ATOM 0 H ASP A 9 2.807 -12.321 -2.899 1.00 13.03 H new ATOM 0 HA ASP A 9 2.984 -15.271 -2.713 1.00 45.52 H new ATOM 0 HB2 ASP A 9 1.093 -13.433 -3.933 1.00 72.11 H new ATOM 0 HB3 ASP A 9 1.831 -14.446 -5.159 1.00 72.11 H new ATOM 310 N ARG A 10 4.660 -13.152 -4.521 1.00 71.31 N ATOM 311 CA ARG A 10 5.800 -13.014 -5.413 1.00 41.02 C ATOM 312 C ARG A 10 6.329 -11.583 -5.442 1.00 34.12 C ATOM 313 O ARG A 10 5.716 -10.666 -4.892 1.00 0.20 O ATOM 314 CB ARG A 10 5.401 -13.442 -6.826 1.00 41.02 C ATOM 315 CG ARG A 10 4.020 -12.944 -7.235 1.00 34.10 C ATOM 316 CD ARG A 10 3.072 -14.099 -7.518 1.00 23.53 C ATOM 317 NE ARG A 10 2.817 -14.258 -8.949 1.00 62.43 N ATOM 318 CZ ARG A 10 1.809 -13.669 -9.602 1.00 74.41 C ATOM 319 NH1 ARG A 10 0.962 -12.870 -8.959 1.00 40.23 N ATOM 320 NH2 ARG A 10 1.651 -13.879 -10.904 1.00 71.31 N ATOM 0 H ARG A 10 4.324 -12.274 -4.124 1.00 71.31 H new ATOM 0 HA ARG A 10 6.596 -13.656 -5.037 1.00 41.02 H new ATOM 0 HB2 ARG A 10 6.140 -13.068 -7.535 1.00 41.02 H new ATOM 0 HB3 ARG A 10 5.421 -14.530 -6.889 1.00 41.02 H new ATOM 0 HG2 ARG A 10 3.608 -12.320 -6.442 1.00 34.10 H new ATOM 0 HG3 ARG A 10 4.106 -12.317 -8.122 1.00 34.10 H new ATOM 0 HD2 ARG A 10 3.495 -15.021 -7.120 1.00 23.53 H new ATOM 0 HD3 ARG A 10 2.129 -13.930 -6.998 1.00 23.53 H new ATOM 0 HE ARG A 10 3.448 -14.856 -9.483 1.00 62.43 H new ATOM 0 HH11 ARG A 10 1.078 -12.702 -7.960 1.00 40.23 H new ATOM 0 HH12 ARG A 10 0.196 -12.425 -9.465 1.00 40.23 H new ATOM 0 HH21 ARG A 10 2.298 -14.489 -11.404 1.00 71.31 H new ATOM 0 HH22 ARG A 10 0.883 -13.431 -11.403 1.00 71.31 H new ATOM 334 N SER A 11 7.473 -11.406 -6.100 1.00 53.11 N ATOM 335 CA SER A 11 8.100 -10.099 -6.228 1.00 4.00 C ATOM 336 C SER A 11 9.067 -10.087 -7.409 1.00 54.52 C ATOM 337 O SER A 11 9.516 -11.142 -7.863 1.00 54.02 O ATOM 338 CB SER A 11 8.842 -9.729 -4.943 1.00 44.14 C ATOM 339 OG SER A 11 9.871 -10.661 -4.659 1.00 42.23 O ATOM 0 H SER A 11 7.986 -12.161 -6.555 1.00 53.11 H new ATOM 0 HA SER A 11 7.317 -9.361 -6.404 1.00 4.00 H new ATOM 0 HB2 SER A 11 9.269 -8.731 -5.041 1.00 44.14 H new ATOM 0 HB3 SER A 11 8.139 -9.695 -4.111 1.00 44.14 H new ATOM 0 HG SER A 11 10.330 -10.400 -3.834 1.00 42.23 H new ATOM 345 N GLU A 12 9.385 -8.893 -7.903 1.00 12.23 N ATOM 346 CA GLU A 12 10.294 -8.750 -9.028 1.00 60.12 C ATOM 347 C GLU A 12 11.262 -7.598 -8.810 1.00 60.42 C ATOM 348 O GLU A 12 10.855 -6.488 -8.455 1.00 61.43 O ATOM 349 CB GLU A 12 9.512 -8.514 -10.317 1.00 64.25 C ATOM 350 CG GLU A 12 8.587 -9.657 -10.689 1.00 53.14 C ATOM 351 CD GLU A 12 7.188 -9.184 -11.031 1.00 60.25 C ATOM 352 OE1 GLU A 12 6.603 -8.427 -10.227 1.00 22.13 O ATOM 353 OE2 GLU A 12 6.677 -9.571 -12.100 1.00 0.03 O ATOM 0 H GLU A 12 9.024 -8.011 -7.538 1.00 12.23 H new ATOM 0 HA GLU A 12 10.864 -9.675 -9.111 1.00 60.12 H new ATOM 0 HB2 GLU A 12 8.924 -7.602 -10.213 1.00 64.25 H new ATOM 0 HB3 GLU A 12 10.216 -8.348 -11.133 1.00 64.25 H new ATOM 0 HG2 GLU A 12 9.004 -10.195 -11.541 1.00 53.14 H new ATOM 0 HG3 GLU A 12 8.536 -10.363 -9.860 1.00 53.14 H new ATOM 360 N ASN A 13 12.541 -7.878 -9.044 1.00 31.20 N ATOM 361 CA ASN A 13 13.609 -6.885 -8.909 1.00 42.23 C ATOM 362 C ASN A 13 13.990 -6.614 -7.444 1.00 61.22 C ATOM 363 O ASN A 13 14.849 -5.772 -7.175 1.00 22.31 O ATOM 364 CB ASN A 13 13.198 -5.579 -9.599 1.00 75.24 C ATOM 365 CG ASN A 13 14.373 -4.661 -9.853 1.00 53.02 C ATOM 366 OD1 ASN A 13 14.999 -4.711 -10.912 1.00 53.23 O ATOM 367 ND2 ASN A 13 14.679 -3.818 -8.881 1.00 4.24 N ATOM 0 H ASN A 13 12.869 -8.800 -9.333 1.00 31.20 H new ATOM 0 HA ASN A 13 14.494 -7.298 -9.393 1.00 42.23 H new ATOM 0 HB2 ASN A 13 12.711 -5.810 -10.546 1.00 75.24 H new ATOM 0 HB3 ASN A 13 12.464 -5.061 -8.981 1.00 75.24 H new ATOM 0 HD21 ASN A 13 15.462 -3.174 -8.992 1.00 4.24 H new ATOM 0 HD22 ASN A 13 14.132 -3.812 -8.020 1.00 4.24 H new ATOM 374 N TYR A 14 13.368 -7.324 -6.500 1.00 43.02 N ATOM 375 CA TYR A 14 13.668 -7.141 -5.075 1.00 4.22 C ATOM 376 C TYR A 14 15.170 -7.144 -4.812 1.00 1.00 C ATOM 377 O TYR A 14 15.665 -6.398 -3.964 1.00 20.22 O ATOM 378 CB TYR A 14 13.022 -8.256 -4.249 1.00 75.13 C ATOM 379 CG TYR A 14 12.718 -7.873 -2.816 1.00 40.31 C ATOM 380 CD1 TYR A 14 11.766 -6.907 -2.518 1.00 44.41 C ATOM 381 CD2 TYR A 14 13.385 -8.484 -1.761 1.00 32.44 C ATOM 382 CE1 TYR A 14 11.488 -6.558 -1.209 1.00 63.31 C ATOM 383 CE2 TYR A 14 13.114 -8.142 -0.450 1.00 42.42 C ATOM 384 CZ TYR A 14 12.164 -7.178 -0.179 1.00 34.41 C ATOM 385 OH TYR A 14 11.889 -6.830 1.126 1.00 23.24 O ATOM 0 H TYR A 14 12.656 -8.028 -6.694 1.00 43.02 H new ATOM 0 HA TYR A 14 13.262 -6.173 -4.782 1.00 4.22 H new ATOM 0 HB2 TYR A 14 12.096 -8.562 -4.735 1.00 75.13 H new ATOM 0 HB3 TYR A 14 13.684 -9.122 -4.249 1.00 75.13 H new ATOM 0 HD1 TYR A 14 11.234 -6.420 -3.322 1.00 44.41 H new ATOM 0 HD2 TYR A 14 14.128 -9.239 -1.969 1.00 32.44 H new ATOM 0 HE1 TYR A 14 10.745 -5.804 -0.994 1.00 63.31 H new ATOM 0 HE2 TYR A 14 13.642 -8.626 0.358 1.00 42.42 H new ATOM 0 HH TYR A 14 12.091 -7.586 1.716 1.00 23.24 H new ATOM 395 N ASP A 15 15.880 -8.006 -5.535 1.00 23.35 N ATOM 396 CA ASP A 15 17.320 -8.143 -5.386 1.00 72.42 C ATOM 397 C ASP A 15 18.045 -6.801 -5.524 1.00 14.04 C ATOM 398 O ASP A 15 18.908 -6.468 -4.710 1.00 21.24 O ATOM 399 CB ASP A 15 17.863 -9.142 -6.413 1.00 2.15 C ATOM 400 CG ASP A 15 17.826 -8.617 -7.840 1.00 40.42 C ATOM 401 OD1 ASP A 15 16.716 -8.341 -8.349 1.00 21.43 O ATOM 402 OD2 ASP A 15 18.908 -8.480 -8.450 1.00 0.44 O ATOM 0 H ASP A 15 15.473 -8.625 -6.236 1.00 23.35 H new ATOM 0 HA ASP A 15 17.510 -8.515 -4.379 1.00 72.42 H new ATOM 0 HB2 ASP A 15 18.890 -9.397 -6.154 1.00 2.15 H new ATOM 0 HB3 ASP A 15 17.282 -10.063 -6.357 1.00 2.15 H new ATOM 407 N LYS A 16 17.695 -6.042 -6.564 1.00 23.40 N ATOM 408 CA LYS A 16 18.316 -4.744 -6.819 1.00 32.21 C ATOM 409 C LYS A 16 18.068 -3.762 -5.674 1.00 43.24 C ATOM 410 O LYS A 16 18.973 -3.030 -5.276 1.00 11.02 O ATOM 411 CB LYS A 16 17.789 -4.156 -8.129 1.00 74.53 C ATOM 412 CG LYS A 16 18.789 -3.263 -8.848 1.00 53.44 C ATOM 413 CD LYS A 16 18.448 -3.121 -10.324 1.00 13.01 C ATOM 414 CE LYS A 16 18.757 -4.397 -11.096 1.00 5.42 C ATOM 415 NZ LYS A 16 19.903 -4.225 -12.032 1.00 13.00 N ATOM 0 H LYS A 16 16.982 -6.306 -7.244 1.00 23.40 H new ATOM 0 HA LYS A 16 19.391 -4.904 -6.896 1.00 32.21 H new ATOM 0 HB2 LYS A 16 17.502 -4.972 -8.793 1.00 74.53 H new ATOM 0 HB3 LYS A 16 16.887 -3.581 -7.921 1.00 74.53 H new ATOM 0 HG2 LYS A 16 18.802 -2.279 -8.380 1.00 53.44 H new ATOM 0 HG3 LYS A 16 19.791 -3.679 -8.743 1.00 53.44 H new ATOM 0 HD2 LYS A 16 17.391 -2.877 -10.432 1.00 13.01 H new ATOM 0 HD3 LYS A 16 19.012 -2.291 -10.750 1.00 13.01 H new ATOM 0 HE2 LYS A 16 18.981 -5.199 -10.393 1.00 5.42 H new ATOM 0 HE3 LYS A 16 17.874 -4.703 -11.658 1.00 5.42 H new ATOM 0 HZ1 LYS A 16 20.077 -5.118 -12.535 1.00 13.00 H new ATOM 0 HZ2 LYS A 16 19.680 -3.478 -12.720 1.00 13.00 H new ATOM 0 HZ3 LYS A 16 20.753 -3.959 -11.495 1.00 13.00 H new ATOM 429 N PHE A 17 16.841 -3.751 -5.150 1.00 21.32 N ATOM 430 CA PHE A 17 16.484 -2.852 -4.049 1.00 53.14 C ATOM 431 C PHE A 17 17.302 -3.177 -2.795 1.00 54.05 C ATOM 432 O PHE A 17 17.841 -2.277 -2.147 1.00 22.43 O ATOM 433 CB PHE A 17 14.983 -2.941 -3.748 1.00 53.54 C ATOM 434 CG PHE A 17 14.497 -1.942 -2.728 1.00 63.54 C ATOM 435 CD1 PHE A 17 14.583 -2.220 -1.373 1.00 2.03 C ATOM 436 CD2 PHE A 17 13.946 -0.730 -3.124 1.00 14.05 C ATOM 437 CE1 PHE A 17 14.130 -1.314 -0.434 1.00 31.31 C ATOM 438 CE2 PHE A 17 13.494 0.179 -2.188 1.00 5.21 C ATOM 439 CZ PHE A 17 13.584 -0.113 -0.842 1.00 2.31 C ATOM 0 H PHE A 17 16.080 -4.351 -5.468 1.00 21.32 H new ATOM 0 HA PHE A 17 16.717 -1.832 -4.353 1.00 53.14 H new ATOM 0 HB2 PHE A 17 14.429 -2.796 -4.675 1.00 53.54 H new ATOM 0 HB3 PHE A 17 14.754 -3.946 -3.394 1.00 53.54 H new ATOM 0 HD1 PHE A 17 15.010 -3.157 -1.047 1.00 2.03 H new ATOM 0 HD2 PHE A 17 13.870 -0.496 -4.176 1.00 14.05 H new ATOM 0 HE1 PHE A 17 14.203 -1.545 0.619 1.00 31.31 H new ATOM 0 HE2 PHE A 17 13.070 1.119 -2.509 1.00 5.21 H new ATOM 0 HZ PHE A 17 13.228 0.596 -0.109 1.00 2.31 H new ATOM 449 N MET A 18 17.407 -4.469 -2.468 1.00 12.41 N ATOM 450 CA MET A 18 18.177 -4.908 -1.305 1.00 32.52 C ATOM 451 C MET A 18 19.652 -4.592 -1.508 1.00 1.44 C ATOM 452 O MET A 18 20.288 -3.965 -0.658 1.00 55.44 O ATOM 453 CB MET A 18 18.005 -6.413 -1.071 1.00 14.21 C ATOM 454 CG MET A 18 16.582 -6.831 -0.747 1.00 20.12 C ATOM 455 SD MET A 18 16.501 -8.442 0.060 1.00 35.30 S ATOM 456 CE MET A 18 16.729 -9.535 -1.342 1.00 2.42 C ATOM 0 H MET A 18 16.969 -5.226 -2.993 1.00 12.41 H new ATOM 0 HA MET A 18 17.805 -4.374 -0.431 1.00 32.52 H new ATOM 0 HB2 MET A 18 18.336 -6.948 -1.961 1.00 14.21 H new ATOM 0 HB3 MET A 18 18.657 -6.720 -0.254 1.00 14.21 H new ATOM 0 HG2 MET A 18 16.125 -6.081 -0.101 1.00 20.12 H new ATOM 0 HG3 MET A 18 15.997 -6.859 -1.666 1.00 20.12 H new ATOM 0 HE1 MET A 18 15.940 -10.287 -1.349 1.00 2.42 H new ATOM 0 HE2 MET A 18 16.688 -8.956 -2.265 1.00 2.42 H new ATOM 0 HE3 MET A 18 17.698 -10.027 -1.266 1.00 2.42 H new ATOM 466 N GLU A 19 20.186 -5.036 -2.647 1.00 33.14 N ATOM 467 CA GLU A 19 21.587 -4.810 -2.983 1.00 12.13 C ATOM 468 C GLU A 19 21.924 -3.314 -3.007 1.00 73.11 C ATOM 469 O GLU A 19 23.022 -2.917 -2.613 1.00 14.15 O ATOM 470 CB GLU A 19 21.925 -5.437 -4.340 1.00 43.55 C ATOM 471 CG GLU A 19 22.024 -6.957 -4.313 1.00 64.34 C ATOM 472 CD GLU A 19 23.209 -7.470 -3.509 1.00 11.02 C ATOM 473 OE1 GLU A 19 24.244 -6.770 -3.447 1.00 42.41 O ATOM 474 OE2 GLU A 19 23.103 -8.578 -2.940 1.00 3.41 O ATOM 0 H GLU A 19 19.665 -5.556 -3.353 1.00 33.14 H new ATOM 0 HA GLU A 19 22.188 -5.285 -2.208 1.00 12.13 H new ATOM 0 HB2 GLU A 19 21.163 -5.146 -5.063 1.00 43.55 H new ATOM 0 HB3 GLU A 19 22.872 -5.028 -4.692 1.00 43.55 H new ATOM 0 HG2 GLU A 19 21.105 -7.366 -3.893 1.00 64.34 H new ATOM 0 HG3 GLU A 19 22.100 -7.327 -5.335 1.00 64.34 H new ATOM 481 N LYS A 20 20.978 -2.488 -3.471 1.00 34.31 N ATOM 482 CA LYS A 20 21.186 -1.039 -3.540 1.00 75.12 C ATOM 483 C LYS A 20 21.282 -0.431 -2.145 1.00 52.41 C ATOM 484 O LYS A 20 22.202 0.334 -1.857 1.00 0.31 O ATOM 485 CB LYS A 20 20.057 -0.366 -4.316 1.00 1.30 C ATOM 486 CG LYS A 20 20.526 0.834 -5.114 1.00 71.41 C ATOM 487 CD LYS A 20 20.207 0.678 -6.590 1.00 42.03 C ATOM 488 CE LYS A 20 19.760 1.993 -7.203 1.00 31.24 C ATOM 489 NZ LYS A 20 20.469 2.285 -8.480 1.00 51.13 N ATOM 0 H LYS A 20 20.065 -2.798 -3.803 1.00 34.31 H new ATOM 0 HA LYS A 20 22.128 -0.868 -4.062 1.00 75.12 H new ATOM 0 HB2 LYS A 20 19.604 -1.091 -4.992 1.00 1.30 H new ATOM 0 HB3 LYS A 20 19.280 -0.052 -3.619 1.00 1.30 H new ATOM 0 HG2 LYS A 20 20.049 1.736 -4.731 1.00 71.41 H new ATOM 0 HG3 LYS A 20 21.601 0.961 -4.984 1.00 71.41 H new ATOM 0 HD2 LYS A 20 21.087 0.310 -7.117 1.00 42.03 H new ATOM 0 HD3 LYS A 20 19.424 -0.069 -6.717 1.00 42.03 H new ATOM 0 HE2 LYS A 20 18.686 1.961 -7.384 1.00 31.24 H new ATOM 0 HE3 LYS A 20 19.940 2.802 -6.495 1.00 31.24 H new ATOM 0 HZ1 LYS A 20 19.899 2.941 -9.051 1.00 51.13 H new ATOM 0 HZ2 LYS A 20 21.392 2.718 -8.274 1.00 51.13 H new ATOM 0 HZ3 LYS A 20 20.612 1.400 -9.008 1.00 51.13 H new ATOM 503 N MET A 21 20.329 -0.784 -1.281 1.00 1.05 N ATOM 504 CA MET A 21 20.304 -0.284 0.093 1.00 41.22 C ATOM 505 C MET A 21 21.603 -0.623 0.829 1.00 13.10 C ATOM 506 O MET A 21 21.983 0.061 1.782 1.00 1.00 O ATOM 507 CB MET A 21 19.114 -0.886 0.847 1.00 53.53 C ATOM 508 CG MET A 21 18.179 0.150 1.447 1.00 51.42 C ATOM 509 SD MET A 21 17.705 1.431 0.271 1.00 13.44 S ATOM 510 CE MET A 21 16.970 0.444 -1.029 1.00 34.41 C ATOM 0 H MET A 21 19.562 -1.416 -1.510 1.00 1.05 H new ATOM 0 HA MET A 21 20.203 0.801 0.055 1.00 41.22 H new ATOM 0 HB2 MET A 21 18.548 -1.521 0.165 1.00 53.53 H new ATOM 0 HB3 MET A 21 19.489 -1.528 1.644 1.00 53.53 H new ATOM 0 HG2 MET A 21 17.282 -0.348 1.816 1.00 51.42 H new ATOM 0 HG3 MET A 21 18.662 0.614 2.307 1.00 51.42 H new ATOM 0 HE1 MET A 21 16.093 0.957 -1.424 1.00 34.41 H new ATOM 0 HE2 MET A 21 17.696 0.297 -1.829 1.00 34.41 H new ATOM 0 HE3 MET A 21 16.673 -0.524 -0.627 1.00 34.41 H new ATOM 520 N GLY A 22 22.266 -1.692 0.383 1.00 11.42 N ATOM 521 CA GLY A 22 23.508 -2.130 1.005 1.00 24.52 C ATOM 522 C GLY A 22 23.267 -3.161 2.095 1.00 42.12 C ATOM 523 O GLY A 22 24.028 -3.245 3.060 1.00 14.01 O ATOM 0 H GLY A 22 21.962 -2.266 -0.404 1.00 11.42 H new ATOM 0 HA2 GLY A 22 24.164 -2.553 0.245 1.00 24.52 H new ATOM 0 HA3 GLY A 22 24.025 -1.269 1.429 1.00 24.52 H new ATOM 527 N VAL A 23 22.196 -3.940 1.936 1.00 74.24 N ATOM 528 CA VAL A 23 21.823 -4.969 2.900 1.00 22.24 C ATOM 529 C VAL A 23 22.804 -6.141 2.881 1.00 4.44 C ATOM 530 O VAL A 23 23.379 -6.471 1.844 1.00 54.54 O ATOM 531 CB VAL A 23 20.395 -5.490 2.609 1.00 62.42 C ATOM 532 CG1 VAL A 23 19.976 -6.542 3.624 1.00 63.14 C ATOM 533 CG2 VAL A 23 19.394 -4.344 2.590 1.00 52.34 C ATOM 0 H VAL A 23 21.566 -3.874 1.137 1.00 74.24 H new ATOM 0 HA VAL A 23 21.852 -4.512 3.889 1.00 22.24 H new ATOM 0 HB VAL A 23 20.407 -5.955 1.623 1.00 62.42 H new ATOM 0 HG11 VAL A 23 18.969 -6.889 3.394 1.00 63.14 H new ATOM 0 HG12 VAL A 23 20.668 -7.383 3.583 1.00 63.14 H new ATOM 0 HG13 VAL A 23 19.991 -6.109 4.624 1.00 63.14 H new ATOM 0 HG21 VAL A 23 18.398 -4.735 2.384 1.00 52.34 H new ATOM 0 HG22 VAL A 23 19.394 -3.844 3.559 1.00 52.34 H new ATOM 0 HG23 VAL A 23 19.672 -3.631 1.814 1.00 52.34 H new ATOM 543 N ASN A 24 22.978 -6.769 4.040 1.00 11.41 N ATOM 544 CA ASN A 24 23.870 -7.910 4.182 1.00 23.14 C ATOM 545 C ASN A 24 23.149 -9.205 3.816 1.00 0.10 C ATOM 546 O ASN A 24 21.928 -9.299 3.947 1.00 72.22 O ATOM 547 CB ASN A 24 24.388 -7.976 5.613 1.00 54.24 C ATOM 548 CG ASN A 24 25.222 -9.205 5.864 1.00 14.23 C ATOM 549 OD1 ASN A 24 26.227 -9.443 5.192 1.00 55.42 O ATOM 550 ND2 ASN A 24 24.805 -10.001 6.828 1.00 33.20 N ATOM 0 H ASN A 24 22.505 -6.501 4.903 1.00 11.41 H new ATOM 0 HA ASN A 24 24.713 -7.788 3.501 1.00 23.14 H new ATOM 0 HB2 ASN A 24 24.983 -7.087 5.823 1.00 54.24 H new ATOM 0 HB3 ASN A 24 23.544 -7.965 6.303 1.00 54.24 H new ATOM 0 HD21 ASN A 24 25.320 -10.854 7.043 1.00 33.20 H new ATOM 0 HD22 ASN A 24 23.967 -9.764 7.359 1.00 33.20 H new ATOM 557 N ILE A 25 23.913 -10.195 3.356 1.00 54.42 N ATOM 558 CA ILE A 25 23.356 -11.491 2.962 1.00 72.22 C ATOM 559 C ILE A 25 22.389 -12.042 4.018 1.00 12.24 C ATOM 560 O ILE A 25 21.307 -12.522 3.680 1.00 42.11 O ATOM 561 CB ILE A 25 24.476 -12.520 2.691 1.00 13.12 C ATOM 562 CG1 ILE A 25 23.887 -13.847 2.202 1.00 61.22 C ATOM 563 CG2 ILE A 25 25.333 -12.734 3.933 1.00 44.35 C ATOM 564 CD1 ILE A 25 24.773 -14.576 1.216 1.00 52.24 C ATOM 0 H ILE A 25 24.925 -10.125 3.246 1.00 54.42 H new ATOM 0 HA ILE A 25 22.797 -11.326 2.041 1.00 72.22 H new ATOM 0 HB ILE A 25 25.117 -12.121 1.905 1.00 13.12 H new ATOM 0 HG12 ILE A 25 23.705 -14.493 3.061 1.00 61.22 H new ATOM 0 HG13 ILE A 25 22.920 -13.656 1.737 1.00 61.22 H new ATOM 0 HG21 ILE A 25 26.114 -13.463 3.715 1.00 44.35 H new ATOM 0 HG22 ILE A 25 25.790 -11.789 4.227 1.00 44.35 H new ATOM 0 HG23 ILE A 25 24.709 -13.103 4.747 1.00 44.35 H new ATOM 0 HD11 ILE A 25 24.292 -15.506 0.914 1.00 52.24 H new ATOM 0 HD12 ILE A 25 24.934 -13.949 0.339 1.00 52.24 H new ATOM 0 HD13 ILE A 25 25.732 -14.799 1.684 1.00 52.24 H new ATOM 576 N VAL A 26 22.780 -11.956 5.292 1.00 2.11 N ATOM 577 CA VAL A 26 21.937 -12.436 6.395 1.00 13.11 C ATOM 578 C VAL A 26 20.652 -11.613 6.491 1.00 2.32 C ATOM 579 O VAL A 26 19.562 -12.161 6.694 1.00 72.11 O ATOM 580 CB VAL A 26 22.682 -12.386 7.750 1.00 65.13 C ATOM 581 CG1 VAL A 26 21.818 -12.956 8.865 1.00 20.43 C ATOM 582 CG2 VAL A 26 24.007 -13.134 7.667 1.00 61.24 C ATOM 0 H VAL A 26 23.672 -11.560 5.587 1.00 2.11 H new ATOM 0 HA VAL A 26 21.688 -13.475 6.178 1.00 13.11 H new ATOM 0 HB VAL A 26 22.891 -11.341 7.980 1.00 65.13 H new ATOM 0 HG11 VAL A 26 22.363 -12.910 9.808 1.00 20.43 H new ATOM 0 HG12 VAL A 26 20.900 -12.374 8.948 1.00 20.43 H new ATOM 0 HG13 VAL A 26 21.570 -13.993 8.639 1.00 20.43 H new ATOM 0 HG21 VAL A 26 24.513 -13.085 8.631 1.00 61.24 H new ATOM 0 HG22 VAL A 26 23.821 -14.176 7.407 1.00 61.24 H new ATOM 0 HG23 VAL A 26 24.636 -12.676 6.903 1.00 61.24 H new ATOM 592 N LYS A 27 20.784 -10.299 6.319 1.00 23.21 N ATOM 593 CA LYS A 27 19.639 -9.397 6.359 1.00 0.55 C ATOM 594 C LYS A 27 18.725 -9.656 5.160 1.00 35.41 C ATOM 595 O LYS A 27 17.501 -9.634 5.285 1.00 2.44 O ATOM 596 CB LYS A 27 20.109 -7.939 6.365 1.00 75.22 C ATOM 597 CG LYS A 27 20.694 -7.482 7.694 1.00 2.03 C ATOM 598 CD LYS A 27 19.713 -7.685 8.839 1.00 3.04 C ATOM 599 CE LYS A 27 20.234 -7.082 10.135 1.00 63.21 C ATOM 600 NZ LYS A 27 19.127 -6.627 11.023 1.00 32.42 N ATOM 0 H LYS A 27 21.677 -9.836 6.150 1.00 23.21 H new ATOM 0 HA LYS A 27 19.078 -9.583 7.275 1.00 0.55 H new ATOM 0 HB2 LYS A 27 20.859 -7.807 5.585 1.00 75.22 H new ATOM 0 HB3 LYS A 27 19.267 -7.296 6.110 1.00 75.22 H new ATOM 0 HG2 LYS A 27 21.611 -8.035 7.898 1.00 2.03 H new ATOM 0 HG3 LYS A 27 20.965 -6.428 7.629 1.00 2.03 H new ATOM 0 HD2 LYS A 27 18.756 -7.230 8.584 1.00 3.04 H new ATOM 0 HD3 LYS A 27 19.532 -8.751 8.980 1.00 3.04 H new ATOM 0 HE2 LYS A 27 20.840 -7.820 10.660 1.00 63.21 H new ATOM 0 HE3 LYS A 27 20.886 -6.239 9.906 1.00 63.21 H new ATOM 0 HZ1 LYS A 27 19.525 -6.223 11.895 1.00 32.42 H new ATOM 0 HZ2 LYS A 27 18.563 -5.904 10.532 1.00 32.42 H new ATOM 0 HZ3 LYS A 27 18.519 -7.436 11.263 1.00 32.42 H new ATOM 614 N ARG A 28 19.334 -9.919 4.001 1.00 35.42 N ATOM 615 CA ARG A 28 18.585 -10.204 2.783 1.00 73.41 C ATOM 616 C ARG A 28 17.874 -11.561 2.874 1.00 21.31 C ATOM 617 O ARG A 28 16.951 -11.832 2.106 1.00 20.24 O ATOM 618 CB ARG A 28 19.520 -10.184 1.567 1.00 14.03 C ATOM 619 CG ARG A 28 19.772 -8.789 1.000 1.00 43.03 C ATOM 620 CD ARG A 28 21.252 -8.518 0.769 1.00 43.33 C ATOM 621 NE ARG A 28 21.938 -9.651 0.143 1.00 51.53 N ATOM 622 CZ ARG A 28 23.266 -9.774 0.068 1.00 40.33 C ATOM 623 NH1 ARG A 28 24.062 -8.825 0.554 1.00 72.33 N ATOM 624 NH2 ARG A 28 23.801 -10.851 -0.499 1.00 53.35 N ATOM 0 H ARG A 28 20.347 -9.940 3.884 1.00 35.42 H new ATOM 0 HA ARG A 28 17.828 -9.429 2.666 1.00 73.41 H new ATOM 0 HB2 ARG A 28 20.475 -10.628 1.848 1.00 14.03 H new ATOM 0 HB3 ARG A 28 19.094 -10.812 0.784 1.00 14.03 H new ATOM 0 HG2 ARG A 28 19.234 -8.679 0.059 1.00 43.03 H new ATOM 0 HG3 ARG A 28 19.371 -8.043 1.686 1.00 43.03 H new ATOM 0 HD2 ARG A 28 21.363 -7.636 0.138 1.00 43.33 H new ATOM 0 HD3 ARG A 28 21.729 -8.290 1.722 1.00 43.33 H new ATOM 0 HE ARG A 28 21.366 -10.392 -0.261 1.00 51.53 H new ATOM 0 HH11 ARG A 28 23.659 -7.995 0.988 1.00 72.33 H new ATOM 0 HH12 ARG A 28 25.075 -8.928 0.492 1.00 72.33 H new ATOM 0 HH21 ARG A 28 23.198 -11.582 -0.876 1.00 53.35 H new ATOM 0 HH22 ARG A 28 24.815 -10.946 -0.557 1.00 53.35 H new ATOM 638 N LYS A 29 18.308 -12.411 3.814 1.00 42.34 N ATOM 639 CA LYS A 29 17.713 -13.732 3.997 1.00 71.22 C ATOM 640 C LYS A 29 16.314 -13.636 4.600 1.00 43.34 C ATOM 641 O LYS A 29 15.362 -14.184 4.045 1.00 45.01 O ATOM 642 CB LYS A 29 18.601 -14.609 4.885 1.00 55.42 C ATOM 643 CG LYS A 29 19.922 -14.996 4.239 1.00 13.50 C ATOM 644 CD LYS A 29 20.117 -16.505 4.210 1.00 64.11 C ATOM 645 CE LYS A 29 20.637 -17.032 5.540 1.00 44.41 C ATOM 646 NZ LYS A 29 21.963 -16.448 5.900 1.00 25.21 N ATOM 0 H LYS A 29 19.071 -12.202 4.458 1.00 42.34 H new ATOM 0 HA LYS A 29 17.631 -14.190 3.011 1.00 71.22 H new ATOM 0 HB2 LYS A 29 18.804 -14.080 5.816 1.00 55.42 H new ATOM 0 HB3 LYS A 29 18.055 -15.516 5.146 1.00 55.42 H new ATOM 0 HG2 LYS A 29 19.957 -14.605 3.222 1.00 13.50 H new ATOM 0 HG3 LYS A 29 20.743 -14.534 4.787 1.00 13.50 H new ATOM 0 HD2 LYS A 29 19.170 -16.990 3.972 1.00 64.11 H new ATOM 0 HD3 LYS A 29 20.817 -16.766 3.416 1.00 64.11 H new ATOM 0 HE2 LYS A 29 19.917 -16.804 6.326 1.00 44.41 H new ATOM 0 HE3 LYS A 29 20.722 -18.118 5.490 1.00 44.41 H new ATOM 0 HZ1 LYS A 29 22.528 -17.157 6.409 1.00 25.21 H new ATOM 0 HZ2 LYS A 29 22.464 -16.164 5.034 1.00 25.21 H new ATOM 0 HZ3 LYS A 29 21.822 -15.616 6.508 1.00 25.21 H new ATOM 660 N LEU A 30 16.179 -12.948 5.738 1.00 0.04 N ATOM 661 CA LEU A 30 14.868 -12.826 6.373 1.00 2.32 C ATOM 662 C LEU A 30 14.017 -11.721 5.753 1.00 0.13 C ATOM 663 O LEU A 30 12.791 -11.827 5.735 1.00 63.51 O ATOM 664 CB LEU A 30 14.955 -12.627 7.874 1.00 20.41 C ATOM 665 CG LEU A 30 16.104 -11.785 8.399 1.00 54.54 C ATOM 666 CD1 LEU A 30 16.002 -10.369 7.874 1.00 34.44 C ATOM 667 CD2 LEU A 30 16.061 -11.800 9.908 1.00 24.21 C ATOM 0 H LEU A 30 16.942 -12.479 6.227 1.00 0.04 H new ATOM 0 HA LEU A 30 14.377 -13.781 6.188 1.00 2.32 H new ATOM 0 HB2 LEU A 30 14.023 -12.172 8.209 1.00 20.41 H new ATOM 0 HB3 LEU A 30 15.016 -13.610 8.342 1.00 20.41 H new ATOM 0 HG LEU A 30 17.053 -12.198 8.057 1.00 54.54 H new ATOM 0 HD11 LEU A 30 16.833 -9.777 8.259 1.00 34.44 H new ATOM 0 HD12 LEU A 30 16.039 -10.381 6.785 1.00 34.44 H new ATOM 0 HD13 LEU A 30 15.060 -9.927 8.200 1.00 34.44 H new ATOM 0 HD21 LEU A 30 16.881 -11.199 10.301 1.00 24.21 H new ATOM 0 HD22 LEU A 30 15.112 -11.387 10.249 1.00 24.21 H new ATOM 0 HD23 LEU A 30 16.159 -12.825 10.265 1.00 24.21 H new ATOM 679 N ALA A 31 14.659 -10.670 5.236 1.00 13.00 N ATOM 680 CA ALA A 31 13.930 -9.570 4.608 1.00 53.21 C ATOM 681 C ALA A 31 13.349 -9.999 3.254 1.00 45.35 C ATOM 682 O ALA A 31 12.537 -9.282 2.665 1.00 64.14 O ATOM 683 CB ALA A 31 14.830 -8.354 4.448 1.00 32.31 C ATOM 0 H ALA A 31 15.673 -10.560 5.240 1.00 13.00 H new ATOM 0 HA ALA A 31 13.099 -9.298 5.259 1.00 53.21 H new ATOM 0 HB1 ALA A 31 14.269 -7.546 3.979 1.00 32.31 H new ATOM 0 HB2 ALA A 31 15.182 -8.030 5.428 1.00 32.31 H new ATOM 0 HB3 ALA A 31 15.684 -8.613 3.823 1.00 32.31 H new ATOM 689 N ALA A 32 13.758 -11.184 2.782 1.00 21.43 N ATOM 690 CA ALA A 32 13.268 -11.733 1.518 1.00 31.20 C ATOM 691 C ALA A 32 12.222 -12.815 1.785 1.00 72.33 C ATOM 692 O ALA A 32 11.215 -12.914 1.079 1.00 61.14 O ATOM 693 CB ALA A 32 14.421 -12.298 0.700 1.00 2.52 C ATOM 0 H ALA A 32 14.431 -11.781 3.262 1.00 21.43 H new ATOM 0 HA ALA A 32 12.803 -10.930 0.946 1.00 31.20 H new ATOM 0 HB1 ALA A 32 14.038 -12.702 -0.237 1.00 2.52 H new ATOM 0 HB2 ALA A 32 15.139 -11.506 0.487 1.00 2.52 H new ATOM 0 HB3 ALA A 32 14.913 -13.091 1.263 1.00 2.52 H new ATOM 699 N HIS A 33 12.469 -13.608 2.832 1.00 43.24 N ATOM 700 CA HIS A 33 11.563 -14.674 3.246 1.00 1.23 C ATOM 701 C HIS A 33 10.842 -14.258 4.529 1.00 61.14 C ATOM 702 O HIS A 33 10.671 -15.059 5.452 1.00 14.32 O ATOM 703 CB HIS A 33 12.340 -15.976 3.483 1.00 41.43 C ATOM 704 CG HIS A 33 13.141 -16.440 2.303 1.00 14.22 C ATOM 705 ND1 HIS A 33 12.737 -17.468 1.478 1.00 52.35 N ATOM 706 CD2 HIS A 33 14.339 -16.024 1.820 1.00 0.13 C ATOM 707 CE1 HIS A 33 13.648 -17.667 0.542 1.00 13.42 C ATOM 708 NE2 HIS A 33 14.629 -16.803 0.727 1.00 43.33 N ATOM 0 H HIS A 33 13.303 -13.526 3.413 1.00 43.24 H new ATOM 0 HA HIS A 33 10.832 -14.846 2.456 1.00 1.23 H new ATOM 0 HB2 HIS A 33 13.011 -15.836 4.330 1.00 41.43 H new ATOM 0 HB3 HIS A 33 11.636 -16.760 3.760 1.00 41.43 H new ATOM 0 HD2 HIS A 33 14.950 -15.229 2.220 1.00 0.13 H new ATOM 0 HE1 HIS A 33 13.599 -18.410 -0.241 1.00 13.42 H new ATOM 0 HE2 HIS A 33 15.467 -16.726 0.151 1.00 43.33 H new ATOM 716 N ASP A 34 10.436 -12.987 4.583 1.00 42.54 N ATOM 717 CA ASP A 34 9.753 -12.440 5.743 1.00 52.21 C ATOM 718 C ASP A 34 8.282 -12.857 5.771 1.00 21.13 C ATOM 719 O ASP A 34 7.669 -12.894 6.838 1.00 71.41 O ATOM 720 CB ASP A 34 9.894 -10.909 5.741 1.00 1.33 C ATOM 721 CG ASP A 34 8.613 -10.187 5.344 1.00 71.54 C ATOM 722 OD1 ASP A 34 8.365 -10.046 4.132 1.00 32.42 O ATOM 723 OD2 ASP A 34 7.859 -9.769 6.243 1.00 31.20 O ATOM 0 H ASP A 34 10.573 -12.317 3.826 1.00 42.54 H new ATOM 0 HA ASP A 34 10.215 -12.840 6.645 1.00 52.21 H new ATOM 0 HB2 ASP A 34 10.197 -10.578 6.734 1.00 1.33 H new ATOM 0 HB3 ASP A 34 10.691 -10.625 5.054 1.00 1.33 H new ATOM 728 N ASN A 35 7.719 -13.155 4.594 1.00 41.03 N ATOM 729 CA ASN A 35 6.313 -13.555 4.486 1.00 44.03 C ATOM 730 C ASN A 35 5.409 -12.395 4.889 1.00 60.43 C ATOM 731 O ASN A 35 4.568 -12.516 5.785 1.00 3.13 O ATOM 732 CB ASN A 35 6.026 -14.790 5.350 1.00 33.23 C ATOM 733 CG ASN A 35 6.671 -16.045 4.796 1.00 55.54 C ATOM 734 OD1 ASN A 35 6.042 -16.804 4.060 1.00 11.22 O ATOM 735 ND2 ASN A 35 7.931 -16.273 5.148 1.00 5.23 N ATOM 0 H ASN A 35 8.216 -13.126 3.704 1.00 41.03 H new ATOM 0 HA ASN A 35 6.107 -13.818 3.449 1.00 44.03 H new ATOM 0 HB2 ASN A 35 6.390 -14.614 6.362 1.00 33.23 H new ATOM 0 HB3 ASN A 35 4.948 -14.939 5.420 1.00 33.23 H new ATOM 0 HD21 ASN A 35 8.414 -17.104 4.806 1.00 5.23 H new ATOM 0 HD22 ASN A 35 8.416 -15.617 5.761 1.00 5.23 H new ATOM 742 N LEU A 36 5.610 -11.262 4.223 1.00 3.32 N ATOM 743 CA LEU A 36 4.847 -10.050 4.493 1.00 24.14 C ATOM 744 C LEU A 36 3.358 -10.242 4.208 1.00 43.34 C ATOM 745 O LEU A 36 2.945 -10.356 3.051 1.00 74.22 O ATOM 746 CB LEU A 36 5.399 -8.894 3.654 1.00 32.11 C ATOM 747 CG LEU A 36 4.853 -7.509 4.000 1.00 12.43 C ATOM 748 CD1 LEU A 36 5.470 -6.995 5.292 1.00 11.22 C ATOM 749 CD2 LEU A 36 5.116 -6.542 2.855 1.00 62.23 C ATOM 0 H LEU A 36 6.305 -11.159 3.483 1.00 3.32 H new ATOM 0 HA LEU A 36 4.951 -9.817 5.553 1.00 24.14 H new ATOM 0 HB2 LEU A 36 6.483 -8.875 3.763 1.00 32.11 H new ATOM 0 HB3 LEU A 36 5.187 -9.097 2.604 1.00 32.11 H new ATOM 0 HG LEU A 36 3.776 -7.586 4.149 1.00 12.43 H new ATOM 0 HD11 LEU A 36 5.068 -6.008 5.520 1.00 11.22 H new ATOM 0 HD12 LEU A 36 5.233 -7.680 6.106 1.00 11.22 H new ATOM 0 HD13 LEU A 36 6.552 -6.928 5.177 1.00 11.22 H new ATOM 0 HD21 LEU A 36 4.723 -5.558 3.112 1.00 62.23 H new ATOM 0 HD22 LEU A 36 6.189 -6.469 2.679 1.00 62.23 H new ATOM 0 HD23 LEU A 36 4.624 -6.905 1.952 1.00 62.23 H new ATOM 761 N LYS A 37 2.557 -10.254 5.273 1.00 71.12 N ATOM 762 CA LYS A 37 1.108 -10.403 5.144 1.00 60.54 C ATOM 763 C LYS A 37 0.446 -9.030 5.192 1.00 24.21 C ATOM 764 O LYS A 37 0.754 -8.224 6.068 1.00 3.53 O ATOM 765 CB LYS A 37 0.548 -11.299 6.251 1.00 11.53 C ATOM 766 CG LYS A 37 -0.657 -12.119 5.815 1.00 13.02 C ATOM 767 CD LYS A 37 -0.241 -13.462 5.233 1.00 72.43 C ATOM 768 CE LYS A 37 0.230 -14.424 6.313 1.00 71.34 C ATOM 769 NZ LYS A 37 -0.772 -15.492 6.588 1.00 32.13 N ATOM 0 H LYS A 37 2.887 -10.162 6.234 1.00 71.12 H new ATOM 0 HA LYS A 37 0.891 -10.876 4.186 1.00 60.54 H new ATOM 0 HB2 LYS A 37 1.333 -11.974 6.593 1.00 11.53 H new ATOM 0 HB3 LYS A 37 0.267 -10.679 7.102 1.00 11.53 H new ATOM 0 HG2 LYS A 37 -1.316 -12.280 6.668 1.00 13.02 H new ATOM 0 HG3 LYS A 37 -1.228 -11.561 5.072 1.00 13.02 H new ATOM 0 HD2 LYS A 37 -1.082 -13.902 4.696 1.00 72.43 H new ATOM 0 HD3 LYS A 37 0.558 -13.312 4.507 1.00 72.43 H new ATOM 0 HE2 LYS A 37 1.171 -14.881 6.006 1.00 71.34 H new ATOM 0 HE3 LYS A 37 0.429 -13.870 7.230 1.00 71.34 H new ATOM 0 HZ1 LYS A 37 -0.282 -16.361 6.880 1.00 32.13 H new ATOM 0 HZ2 LYS A 37 -1.410 -15.182 7.349 1.00 32.13 H new ATOM 0 HZ3 LYS A 37 -1.325 -15.679 5.727 1.00 32.13 H new ATOM 783 N LEU A 38 -0.440 -8.759 4.235 1.00 53.05 N ATOM 784 CA LEU A 38 -1.113 -7.465 4.161 1.00 55.31 C ATOM 785 C LEU A 38 -2.631 -7.585 4.290 1.00 42.42 C ATOM 786 O LEU A 38 -3.254 -8.472 3.706 1.00 35.15 O ATOM 787 CB LEU A 38 -0.767 -6.778 2.837 1.00 51.31 C ATOM 788 CG LEU A 38 0.540 -5.984 2.833 1.00 54.31 C ATOM 789 CD1 LEU A 38 1.708 -6.863 3.244 1.00 13.53 C ATOM 790 CD2 LEU A 38 0.788 -5.371 1.462 1.00 32.41 C ATOM 0 H LEU A 38 -0.707 -9.417 3.503 1.00 53.05 H new ATOM 0 HA LEU A 38 -0.759 -6.870 5.003 1.00 55.31 H new ATOM 0 HB2 LEU A 38 -0.714 -7.537 2.056 1.00 51.31 H new ATOM 0 HB3 LEU A 38 -1.582 -6.105 2.572 1.00 51.31 H new ATOM 0 HG LEU A 38 0.450 -5.177 3.561 1.00 54.31 H new ATOM 0 HD11 LEU A 38 2.626 -6.276 3.234 1.00 13.53 H new ATOM 0 HD12 LEU A 38 1.536 -7.250 4.248 1.00 13.53 H new ATOM 0 HD13 LEU A 38 1.801 -7.695 2.546 1.00 13.53 H new ATOM 0 HD21 LEU A 38 1.722 -4.810 1.478 1.00 32.41 H new ATOM 0 HD22 LEU A 38 0.853 -6.163 0.716 1.00 32.41 H new ATOM 0 HD23 LEU A 38 -0.034 -4.701 1.209 1.00 32.41 H new ATOM 802 N THR A 39 -3.210 -6.651 5.037 1.00 4.12 N ATOM 803 CA THR A 39 -4.656 -6.582 5.243 1.00 34.14 C ATOM 804 C THR A 39 -5.113 -5.159 4.985 1.00 60.12 C ATOM 805 O THR A 39 -4.743 -4.234 5.708 1.00 0.32 O ATOM 806 CB THR A 39 -5.032 -7.021 6.662 1.00 24.24 C ATOM 807 OG1 THR A 39 -4.507 -8.309 6.947 1.00 60.24 O ATOM 808 CG2 THR A 39 -6.528 -7.071 6.900 1.00 13.24 C ATOM 0 H THR A 39 -2.690 -5.918 5.519 1.00 4.12 H new ATOM 0 HA THR A 39 -5.153 -7.262 4.551 1.00 34.14 H new ATOM 0 HB THR A 39 -4.602 -6.265 7.319 1.00 24.24 H new ATOM 0 HG1 THR A 39 -4.757 -8.570 7.858 1.00 60.24 H new ATOM 0 HG21 THR A 39 -6.723 -7.389 7.924 1.00 13.24 H new ATOM 0 HG22 THR A 39 -6.955 -6.081 6.740 1.00 13.24 H new ATOM 0 HG23 THR A 39 -6.983 -7.779 6.207 1.00 13.24 H new ATOM 816 N ILE A 40 -5.884 -4.992 3.923 1.00 63.45 N ATOM 817 CA ILE A 40 -6.360 -3.682 3.519 1.00 32.40 C ATOM 818 C ILE A 40 -7.752 -3.371 4.077 1.00 3.04 C ATOM 819 O ILE A 40 -8.711 -4.109 3.838 1.00 63.13 O ATOM 820 CB ILE A 40 -6.397 -3.567 1.979 1.00 13.50 C ATOM 821 CG1 ILE A 40 -5.232 -4.330 1.331 1.00 43.23 C ATOM 822 CG2 ILE A 40 -6.377 -2.110 1.550 1.00 45.13 C ATOM 823 CD1 ILE A 40 -3.892 -3.641 1.465 1.00 40.54 C ATOM 0 H ILE A 40 -6.195 -5.755 3.322 1.00 63.45 H new ATOM 0 HA ILE A 40 -5.658 -2.956 3.930 1.00 32.40 H new ATOM 0 HB ILE A 40 -7.327 -4.021 1.637 1.00 13.50 H new ATOM 0 HG12 ILE A 40 -5.166 -5.321 1.781 1.00 43.23 H new ATOM 0 HG13 ILE A 40 -5.450 -4.474 0.273 1.00 43.23 H new ATOM 0 HG21 ILE A 40 -6.404 -2.051 0.462 1.00 45.13 H new ATOM 0 HG22 ILE A 40 -7.246 -1.597 1.963 1.00 45.13 H new ATOM 0 HG23 ILE A 40 -5.467 -1.635 1.917 1.00 45.13 H new ATOM 0 HD11 ILE A 40 -3.123 -4.244 0.982 1.00 40.54 H new ATOM 0 HD12 ILE A 40 -3.937 -2.661 0.989 1.00 40.54 H new ATOM 0 HD13 ILE A 40 -3.649 -3.521 2.521 1.00 40.54 H new ATOM 835 N THR A 41 -7.843 -2.258 4.808 1.00 54.24 N ATOM 836 CA THR A 41 -9.100 -1.799 5.401 1.00 51.53 C ATOM 837 C THR A 41 -9.093 -0.269 5.506 1.00 13.25 C ATOM 838 O THR A 41 -8.191 0.308 6.118 1.00 34.23 O ATOM 839 CB THR A 41 -9.307 -2.432 6.784 1.00 54.44 C ATOM 840 OG1 THR A 41 -8.064 -2.762 7.387 1.00 3.41 O ATOM 841 CG2 THR A 41 -10.143 -3.694 6.741 1.00 35.25 C ATOM 0 H THR A 41 -7.048 -1.650 5.005 1.00 54.24 H new ATOM 0 HA THR A 41 -9.927 -2.107 4.761 1.00 51.53 H new ATOM 0 HB THR A 41 -9.836 -1.678 7.367 1.00 54.44 H new ATOM 0 HG1 THR A 41 -7.422 -2.038 7.231 1.00 3.41 H new ATOM 0 HG21 THR A 41 -10.252 -4.092 7.750 1.00 35.25 H new ATOM 0 HG22 THR A 41 -11.127 -3.465 6.333 1.00 35.25 H new ATOM 0 HG23 THR A 41 -9.652 -4.434 6.110 1.00 35.25 H new ATOM 849 N GLN A 42 -10.075 0.388 4.880 1.00 12.40 N ATOM 850 CA GLN A 42 -10.139 1.856 4.885 1.00 11.23 C ATOM 851 C GLN A 42 -11.518 2.382 5.261 1.00 64.22 C ATOM 852 O GLN A 42 -12.541 1.765 4.955 1.00 53.05 O ATOM 853 CB GLN A 42 -9.763 2.383 3.500 1.00 71.12 C ATOM 854 CG GLN A 42 -9.717 3.904 3.374 1.00 31.40 C ATOM 855 CD GLN A 42 -10.510 4.388 2.178 1.00 54.33 C ATOM 856 OE1 GLN A 42 -11.739 4.433 2.214 1.00 22.20 O ATOM 857 NE2 GLN A 42 -9.811 4.743 1.107 1.00 60.41 N ATOM 0 H GLN A 42 -10.831 -0.067 4.368 1.00 12.40 H new ATOM 0 HA GLN A 42 -9.437 2.208 5.640 1.00 11.23 H new ATOM 0 HB2 GLN A 42 -8.786 1.982 3.229 1.00 71.12 H new ATOM 0 HB3 GLN A 42 -10.479 1.996 2.775 1.00 71.12 H new ATOM 0 HG2 GLN A 42 -10.114 4.357 4.282 1.00 31.40 H new ATOM 0 HG3 GLN A 42 -8.681 4.231 3.281 1.00 31.40 H new ATOM 0 HE21 GLN A 42 -8.793 4.690 1.122 1.00 60.41 H new ATOM 0 HE22 GLN A 42 -10.292 5.069 0.269 1.00 60.41 H new ATOM 866 N GLU A 43 -11.523 3.552 5.901 1.00 44.32 N ATOM 867 CA GLU A 43 -12.753 4.219 6.308 1.00 55.23 C ATOM 868 C GLU A 43 -12.678 5.698 5.958 1.00 62.13 C ATOM 869 O GLU A 43 -12.462 6.554 6.821 1.00 44.33 O ATOM 870 CB GLU A 43 -12.984 4.044 7.798 1.00 52.44 C ATOM 871 CG GLU A 43 -12.987 2.594 8.233 1.00 11.51 C ATOM 872 CD GLU A 43 -11.661 2.158 8.827 1.00 4.24 C ATOM 873 OE1 GLU A 43 -11.263 2.718 9.871 1.00 12.14 O ATOM 874 OE2 GLU A 43 -11.019 1.259 8.245 1.00 11.50 O ATOM 0 H GLU A 43 -10.674 4.060 6.150 1.00 44.32 H new ATOM 0 HA GLU A 43 -13.590 3.768 5.775 1.00 55.23 H new ATOM 0 HB2 GLU A 43 -12.208 4.579 8.345 1.00 52.44 H new ATOM 0 HB3 GLU A 43 -13.937 4.500 8.068 1.00 52.44 H new ATOM 0 HG2 GLU A 43 -13.777 2.441 8.968 1.00 11.51 H new ATOM 0 HG3 GLU A 43 -13.222 1.962 7.376 1.00 11.51 H new ATOM 881 N GLY A 44 -12.846 5.976 4.678 1.00 54.53 N ATOM 882 CA GLY A 44 -12.792 7.343 4.188 1.00 74.33 C ATOM 883 C GLY A 44 -11.479 7.688 3.536 1.00 73.43 C ATOM 884 O GLY A 44 -11.065 7.060 2.564 1.00 0.12 O ATOM 0 H GLY A 44 -13.021 5.274 3.959 1.00 54.53 H new ATOM 0 HA2 GLY A 44 -13.598 7.497 3.471 1.00 74.33 H new ATOM 0 HA3 GLY A 44 -12.969 8.027 5.018 1.00 74.33 H new ATOM 888 N ASN A 45 -10.829 8.690 4.083 1.00 43.43 N ATOM 889 CA ASN A 45 -9.545 9.146 3.586 1.00 4.35 C ATOM 890 C ASN A 45 -8.445 8.728 4.560 1.00 15.04 C ATOM 891 O ASN A 45 -7.344 9.278 4.561 1.00 13.00 O ATOM 892 CB ASN A 45 -9.593 10.665 3.371 1.00 51.14 C ATOM 893 CG ASN A 45 -8.867 11.466 4.441 1.00 52.31 C ATOM 894 OD1 ASN A 45 -9.314 11.541 5.585 1.00 72.44 O ATOM 895 ND2 ASN A 45 -7.741 12.070 4.072 1.00 42.33 N ATOM 0 H ASN A 45 -11.174 9.215 4.887 1.00 43.43 H new ATOM 0 HA ASN A 45 -9.320 8.686 2.624 1.00 4.35 H new ATOM 0 HB2 ASN A 45 -9.157 10.898 2.399 1.00 51.14 H new ATOM 0 HB3 ASN A 45 -10.635 10.984 3.338 1.00 51.14 H new ATOM 0 HD21 ASN A 45 -7.213 12.621 4.748 1.00 42.33 H new ATOM 0 HD22 ASN A 45 -7.406 11.982 3.113 1.00 42.33 H new ATOM 902 N LYS A 46 -8.762 7.722 5.375 1.00 21.13 N ATOM 903 CA LYS A 46 -7.824 7.190 6.351 1.00 43.55 C ATOM 904 C LYS A 46 -7.764 5.677 6.220 1.00 42.34 C ATOM 905 O LYS A 46 -8.699 4.967 6.599 1.00 1.03 O ATOM 906 CB LYS A 46 -8.225 7.604 7.770 1.00 0.23 C ATOM 907 CG LYS A 46 -7.410 6.929 8.865 1.00 40.04 C ATOM 908 CD LYS A 46 -8.291 6.454 10.012 1.00 20.10 C ATOM 909 CE LYS A 46 -8.270 4.937 10.147 1.00 4.01 C ATOM 910 NZ LYS A 46 -9.345 4.441 11.055 1.00 33.42 N ATOM 0 H LYS A 46 -9.671 7.259 5.374 1.00 21.13 H new ATOM 0 HA LYS A 46 -6.833 7.601 6.158 1.00 43.55 H new ATOM 0 HB2 LYS A 46 -8.119 8.685 7.866 1.00 0.23 H new ATOM 0 HB3 LYS A 46 -9.279 7.373 7.921 1.00 0.23 H new ATOM 0 HG2 LYS A 46 -6.870 6.080 8.446 1.00 40.04 H new ATOM 0 HG3 LYS A 46 -6.663 7.626 9.245 1.00 40.04 H new ATOM 0 HD2 LYS A 46 -7.952 6.907 10.943 1.00 20.10 H new ATOM 0 HD3 LYS A 46 -9.315 6.791 9.848 1.00 20.10 H new ATOM 0 HE2 LYS A 46 -8.389 4.484 9.163 1.00 4.01 H new ATOM 0 HE3 LYS A 46 -7.299 4.620 10.528 1.00 4.01 H new ATOM 0 HZ1 LYS A 46 -8.919 3.902 11.836 1.00 33.42 H new ATOM 0 HZ2 LYS A 46 -9.874 5.249 11.440 1.00 33.42 H new ATOM 0 HZ3 LYS A 46 -9.992 3.825 10.523 1.00 33.42 H new ATOM 924 N PHE A 47 -6.672 5.196 5.649 1.00 54.12 N ATOM 925 CA PHE A 47 -6.489 3.772 5.423 1.00 23.11 C ATOM 926 C PHE A 47 -5.678 3.123 6.531 1.00 33.44 C ATOM 927 O PHE A 47 -4.771 3.735 7.096 1.00 43.04 O ATOM 928 CB PHE A 47 -5.793 3.558 4.085 1.00 1.40 C ATOM 929 CG PHE A 47 -6.457 2.543 3.211 1.00 51.31 C ATOM 930 CD1 PHE A 47 -6.600 1.236 3.637 1.00 71.12 C ATOM 931 CD2 PHE A 47 -6.947 2.902 1.965 1.00 62.42 C ATOM 932 CE1 PHE A 47 -7.222 0.303 2.834 1.00 25.43 C ATOM 933 CE2 PHE A 47 -7.568 1.971 1.157 1.00 40.13 C ATOM 934 CZ PHE A 47 -7.706 0.670 1.591 1.00 72.21 C ATOM 0 H PHE A 47 -5.894 5.775 5.332 1.00 54.12 H new ATOM 0 HA PHE A 47 -7.473 3.303 5.415 1.00 23.11 H new ATOM 0 HB2 PHE A 47 -5.750 4.508 3.553 1.00 1.40 H new ATOM 0 HB3 PHE A 47 -4.764 3.248 4.268 1.00 1.40 H new ATOM 0 HD1 PHE A 47 -6.222 0.943 4.605 1.00 71.12 H new ATOM 0 HD2 PHE A 47 -6.842 3.921 1.623 1.00 62.42 H new ATOM 0 HE1 PHE A 47 -7.331 -0.716 3.176 1.00 25.43 H new ATOM 0 HE2 PHE A 47 -7.945 2.261 0.187 1.00 40.13 H new ATOM 0 HZ PHE A 47 -8.191 -0.062 0.962 1.00 72.21 H new ATOM 944 N THR A 48 -6.001 1.866 6.812 1.00 41.33 N ATOM 945 CA THR A 48 -5.292 1.104 7.829 1.00 22.53 C ATOM 946 C THR A 48 -4.923 -0.270 7.294 1.00 32.44 C ATOM 947 O THR A 48 -5.799 -1.093 7.014 1.00 34.13 O ATOM 948 CB THR A 48 -6.122 0.962 9.110 1.00 32.31 C ATOM 949 OG1 THR A 48 -6.815 2.164 9.408 1.00 52.13 O ATOM 950 CG2 THR A 48 -5.283 0.597 10.320 1.00 42.12 C ATOM 0 H THR A 48 -6.751 1.353 6.348 1.00 41.33 H new ATOM 0 HA THR A 48 -4.383 1.651 8.078 1.00 22.53 H new ATOM 0 HB THR A 48 -6.824 0.152 8.911 1.00 32.31 H new ATOM 0 HG1 THR A 48 -7.338 2.045 10.228 1.00 52.13 H new ATOM 0 HG21 THR A 48 -5.926 0.511 11.196 1.00 42.12 H new ATOM 0 HG22 THR A 48 -4.782 -0.355 10.142 1.00 42.12 H new ATOM 0 HG23 THR A 48 -4.537 1.373 10.493 1.00 42.12 H new ATOM 958 N VAL A 49 -3.624 -0.509 7.149 1.00 51.55 N ATOM 959 CA VAL A 49 -3.138 -1.782 6.645 1.00 11.04 C ATOM 960 C VAL A 49 -2.224 -2.462 7.658 1.00 32.14 C ATOM 961 O VAL A 49 -1.366 -1.819 8.271 1.00 64.22 O ATOM 962 CB VAL A 49 -2.399 -1.621 5.301 1.00 63.23 C ATOM 963 CG1 VAL A 49 -3.385 -1.341 4.177 1.00 24.14 C ATOM 964 CG2 VAL A 49 -1.347 -0.526 5.377 1.00 12.03 C ATOM 0 H VAL A 49 -2.891 0.164 7.374 1.00 51.55 H new ATOM 0 HA VAL A 49 -4.013 -2.411 6.480 1.00 11.04 H new ATOM 0 HB VAL A 49 -1.888 -2.560 5.087 1.00 63.23 H new ATOM 0 HG11 VAL A 49 -2.844 -1.231 3.237 1.00 24.14 H new ATOM 0 HG12 VAL A 49 -4.089 -2.170 4.095 1.00 24.14 H new ATOM 0 HG13 VAL A 49 -3.930 -0.422 4.392 1.00 24.14 H new ATOM 0 HG21 VAL A 49 -0.844 -0.437 4.414 1.00 12.03 H new ATOM 0 HG22 VAL A 49 -1.825 0.421 5.625 1.00 12.03 H new ATOM 0 HG23 VAL A 49 -0.616 -0.776 6.146 1.00 12.03 H new ATOM 974 N LYS A 50 -2.425 -3.767 7.834 1.00 51.25 N ATOM 975 CA LYS A 50 -1.630 -4.548 8.779 1.00 34.22 C ATOM 976 C LYS A 50 -0.568 -5.369 8.052 1.00 73.11 C ATOM 977 O LYS A 50 -0.887 -6.166 7.168 1.00 25.42 O ATOM 978 CB LYS A 50 -2.536 -5.471 9.601 1.00 34.45 C ATOM 979 CG LYS A 50 -2.051 -5.695 11.026 1.00 53.15 C ATOM 980 CD LYS A 50 -3.215 -5.884 11.988 1.00 3.50 C ATOM 981 CE LYS A 50 -2.824 -6.742 13.182 1.00 13.15 C ATOM 982 NZ LYS A 50 -2.524 -5.920 14.388 1.00 34.21 N ATOM 0 H LYS A 50 -3.132 -4.306 7.334 1.00 51.25 H new ATOM 0 HA LYS A 50 -1.126 -3.854 9.451 1.00 34.22 H new ATOM 0 HB2 LYS A 50 -3.540 -5.047 9.631 1.00 34.45 H new ATOM 0 HB3 LYS A 50 -2.611 -6.434 9.097 1.00 34.45 H new ATOM 0 HG2 LYS A 50 -1.405 -6.572 11.058 1.00 53.15 H new ATOM 0 HG3 LYS A 50 -1.449 -4.844 11.345 1.00 53.15 H new ATOM 0 HD2 LYS A 50 -3.561 -4.911 12.337 1.00 3.50 H new ATOM 0 HD3 LYS A 50 -4.049 -6.349 11.463 1.00 3.50 H new ATOM 0 HE2 LYS A 50 -3.633 -7.437 13.409 1.00 13.15 H new ATOM 0 HE3 LYS A 50 -1.951 -7.342 12.926 1.00 13.15 H new ATOM 0 HZ1 LYS A 50 -2.262 -6.544 15.177 1.00 34.21 H new ATOM 0 HZ2 LYS A 50 -1.735 -5.275 14.181 1.00 34.21 H new ATOM 0 HZ3 LYS A 50 -3.365 -5.366 14.649 1.00 34.21 H new ATOM 996 N GLU A 51 0.693 -5.165 8.432 1.00 41.41 N ATOM 997 CA GLU A 51 1.807 -5.883 7.820 1.00 2.42 C ATOM 998 C GLU A 51 2.589 -6.671 8.868 1.00 40.32 C ATOM 999 O GLU A 51 3.112 -6.098 9.827 1.00 43.43 O ATOM 1000 CB GLU A 51 2.739 -4.908 7.097 1.00 24.43 C ATOM 1001 CG GLU A 51 2.313 -4.614 5.666 1.00 2.05 C ATOM 1002 CD GLU A 51 1.646 -3.258 5.513 1.00 1.34 C ATOM 1003 OE1 GLU A 51 0.852 -2.877 6.400 1.00 43.54 O ATOM 1004 OE2 GLU A 51 1.912 -2.580 4.501 1.00 61.22 O ATOM 0 H GLU A 51 0.967 -4.507 9.162 1.00 41.41 H new ATOM 0 HA GLU A 51 1.397 -6.585 7.094 1.00 2.42 H new ATOM 0 HB2 GLU A 51 2.779 -3.973 7.656 1.00 24.43 H new ATOM 0 HB3 GLU A 51 3.749 -5.319 7.091 1.00 24.43 H new ATOM 0 HG2 GLU A 51 3.187 -4.658 5.016 1.00 2.05 H new ATOM 0 HG3 GLU A 51 1.626 -5.391 5.330 1.00 2.05 H new ATOM 1011 N SER A 52 2.661 -7.986 8.678 1.00 34.51 N ATOM 1012 CA SER A 52 3.377 -8.858 9.603 1.00 24.54 C ATOM 1013 C SER A 52 4.605 -9.466 8.930 1.00 41.21 C ATOM 1014 O SER A 52 4.544 -9.888 7.773 1.00 12.32 O ATOM 1015 CB SER A 52 2.457 -9.970 10.123 1.00 0.53 C ATOM 1016 OG SER A 52 1.317 -10.134 9.293 1.00 74.44 O ATOM 0 H SER A 52 2.231 -8.471 7.890 1.00 34.51 H new ATOM 0 HA SER A 52 3.706 -8.254 10.449 1.00 24.54 H new ATOM 0 HB2 SER A 52 3.010 -10.908 10.172 1.00 0.53 H new ATOM 0 HB3 SER A 52 2.138 -9.734 11.138 1.00 0.53 H new ATOM 0 HG SER A 52 0.752 -10.851 9.651 1.00 74.44 H new ATOM 1022 N SER A 53 5.718 -9.504 9.662 1.00 31.11 N ATOM 1023 CA SER A 53 6.968 -10.058 9.145 1.00 14.42 C ATOM 1024 C SER A 53 7.512 -11.149 10.069 1.00 73.11 C ATOM 1025 O SER A 53 6.928 -11.438 11.116 1.00 45.21 O ATOM 1026 CB SER A 53 8.012 -8.947 8.973 1.00 24.21 C ATOM 1027 OG SER A 53 8.545 -8.537 10.221 1.00 41.33 O ATOM 0 H SER A 53 5.779 -9.156 10.619 1.00 31.11 H new ATOM 0 HA SER A 53 6.760 -10.506 8.173 1.00 14.42 H new ATOM 0 HB2 SER A 53 8.818 -9.300 8.330 1.00 24.21 H new ATOM 0 HB3 SER A 53 7.556 -8.093 8.472 1.00 24.21 H new ATOM 0 HG SER A 53 7.822 -8.470 10.879 1.00 41.33 H new ATOM 1033 N ALA A 54 8.633 -11.753 9.672 1.00 53.43 N ATOM 1034 CA ALA A 54 9.258 -12.815 10.459 1.00 52.45 C ATOM 1035 C ALA A 54 9.905 -12.286 11.745 1.00 3.21 C ATOM 1036 O ALA A 54 10.018 -13.021 12.728 1.00 22.41 O ATOM 1037 CB ALA A 54 10.295 -13.548 9.618 1.00 53.02 C ATOM 0 H ALA A 54 9.126 -11.524 8.809 1.00 53.43 H new ATOM 0 HA ALA A 54 8.468 -13.505 10.754 1.00 52.45 H new ATOM 0 HB1 ALA A 54 10.755 -14.337 10.213 1.00 53.02 H new ATOM 0 HB2 ALA A 54 9.811 -13.987 8.745 1.00 53.02 H new ATOM 0 HB3 ALA A 54 11.062 -12.845 9.293 1.00 53.02 H new ATOM 1043 N PHE A 55 10.348 -11.023 11.733 1.00 40.31 N ATOM 1044 CA PHE A 55 11.003 -10.434 12.909 1.00 4.13 C ATOM 1045 C PHE A 55 10.139 -9.384 13.626 1.00 13.44 C ATOM 1046 O PHE A 55 10.545 -8.870 14.671 1.00 34.45 O ATOM 1047 CB PHE A 55 12.355 -9.819 12.521 1.00 55.21 C ATOM 1048 CG PHE A 55 12.314 -8.933 11.307 1.00 23.13 C ATOM 1049 CD1 PHE A 55 11.975 -7.595 11.420 1.00 11.33 C ATOM 1050 CD2 PHE A 55 12.626 -9.439 10.057 1.00 2.34 C ATOM 1051 CE1 PHE A 55 11.951 -6.775 10.306 1.00 72.12 C ATOM 1052 CE2 PHE A 55 12.601 -8.627 8.938 1.00 64.22 C ATOM 1053 CZ PHE A 55 12.264 -7.292 9.063 1.00 72.43 C ATOM 0 H PHE A 55 10.267 -10.395 10.933 1.00 40.31 H new ATOM 0 HA PHE A 55 11.155 -11.253 13.612 1.00 4.13 H new ATOM 0 HB2 PHE A 55 12.732 -9.240 13.364 1.00 55.21 H new ATOM 0 HB3 PHE A 55 13.068 -10.624 12.343 1.00 55.21 H new ATOM 0 HD1 PHE A 55 11.727 -7.187 12.389 1.00 11.33 H new ATOM 0 HD2 PHE A 55 12.892 -10.481 9.954 1.00 2.34 H new ATOM 0 HE1 PHE A 55 11.688 -5.732 10.407 1.00 72.12 H new ATOM 0 HE2 PHE A 55 12.844 -9.035 7.968 1.00 64.22 H new ATOM 0 HZ PHE A 55 12.245 -6.655 8.191 1.00 72.43 H new ATOM 1063 N ARG A 56 8.958 -9.063 13.082 1.00 34.30 N ATOM 1064 CA ARG A 56 8.074 -8.070 13.708 1.00 13.05 C ATOM 1065 C ARG A 56 6.703 -8.021 13.027 1.00 72.24 C ATOM 1066 O ARG A 56 6.470 -8.708 12.033 1.00 13.31 O ATOM 1067 CB ARG A 56 8.724 -6.680 13.668 1.00 13.22 C ATOM 1068 CG ARG A 56 8.694 -6.019 12.296 1.00 32.30 C ATOM 1069 CD ARG A 56 8.709 -4.503 12.410 1.00 24.50 C ATOM 1070 NE ARG A 56 8.248 -3.846 11.186 1.00 53.23 N ATOM 1071 CZ ARG A 56 7.964 -2.542 11.106 1.00 71.23 C ATOM 1072 NH1 ARG A 56 8.091 -1.761 12.178 1.00 1.03 N ATOM 1073 NH2 ARG A 56 7.556 -2.018 9.953 1.00 24.10 N ATOM 0 H ARG A 56 8.595 -9.471 12.220 1.00 34.30 H new ATOM 0 HA ARG A 56 7.924 -8.373 14.744 1.00 13.05 H new ATOM 0 HB2 ARG A 56 8.216 -6.032 14.383 1.00 13.22 H new ATOM 0 HB3 ARG A 56 9.760 -6.766 13.996 1.00 13.22 H new ATOM 0 HG2 ARG A 56 9.553 -6.350 11.712 1.00 32.30 H new ATOM 0 HG3 ARG A 56 7.801 -6.336 11.757 1.00 32.30 H new ATOM 0 HD2 ARG A 56 8.076 -4.198 13.243 1.00 24.50 H new ATOM 0 HD3 ARG A 56 9.721 -4.169 12.639 1.00 24.50 H new ATOM 0 HE ARG A 56 8.137 -4.415 10.347 1.00 53.23 H new ATOM 0 HH11 ARG A 56 8.406 -2.158 13.063 1.00 1.03 H new ATOM 0 HH12 ARG A 56 7.873 -0.767 12.113 1.00 1.03 H new ATOM 0 HH21 ARG A 56 7.460 -2.611 9.129 1.00 24.10 H new ATOM 0 HH22 ARG A 56 7.340 -1.023 9.893 1.00 24.10 H new ATOM 1087 N ASN A 57 5.805 -7.190 13.567 1.00 31.42 N ATOM 1088 CA ASN A 57 4.458 -7.032 13.011 1.00 54.41 C ATOM 1089 C ASN A 57 3.747 -5.836 13.650 1.00 74.24 C ATOM 1090 O ASN A 57 3.673 -5.732 14.877 1.00 24.15 O ATOM 1091 CB ASN A 57 3.638 -8.316 13.209 1.00 24.20 C ATOM 1092 CG ASN A 57 3.254 -8.563 14.659 1.00 73.23 C ATOM 1093 OD1 ASN A 57 4.110 -8.612 15.544 1.00 51.04 O ATOM 1094 ND2 ASN A 57 1.959 -8.723 14.909 1.00 62.42 N ATOM 0 H ASN A 57 5.988 -6.616 14.390 1.00 31.42 H new ATOM 0 HA ASN A 57 4.549 -6.844 11.941 1.00 54.41 H new ATOM 0 HB2 ASN A 57 2.733 -8.258 12.605 1.00 24.20 H new ATOM 0 HB3 ASN A 57 4.212 -9.167 12.842 1.00 24.20 H new ATOM 0 HD21 ASN A 57 1.641 -8.894 15.863 1.00 62.42 H new ATOM 0 HD22 ASN A 57 1.283 -8.675 14.147 1.00 62.42 H new ATOM 1101 N ILE A 58 3.236 -4.925 12.814 1.00 25.12 N ATOM 1102 CA ILE A 58 2.547 -3.729 13.310 1.00 3.13 C ATOM 1103 C ILE A 58 1.454 -3.246 12.349 1.00 64.23 C ATOM 1104 O ILE A 58 1.347 -3.723 11.217 1.00 22.31 O ATOM 1105 CB ILE A 58 3.543 -2.568 13.557 1.00 20.51 C ATOM 1106 CG1 ILE A 58 4.367 -2.280 12.295 1.00 52.23 C ATOM 1107 CG2 ILE A 58 4.459 -2.890 14.730 1.00 75.41 C ATOM 1108 CD1 ILE A 58 5.000 -0.903 12.284 1.00 21.30 C ATOM 0 H ILE A 58 3.286 -4.992 11.797 1.00 25.12 H new ATOM 0 HA ILE A 58 2.080 -4.020 14.251 1.00 3.13 H new ATOM 0 HB ILE A 58 2.970 -1.674 13.802 1.00 20.51 H new ATOM 0 HG12 ILE A 58 5.151 -3.032 12.204 1.00 52.23 H new ATOM 0 HG13 ILE A 58 3.724 -2.382 11.421 1.00 52.23 H new ATOM 0 HG21 ILE A 58 5.152 -2.063 14.888 1.00 75.41 H new ATOM 0 HG22 ILE A 58 3.861 -3.039 15.629 1.00 75.41 H new ATOM 0 HG23 ILE A 58 5.022 -3.798 14.514 1.00 75.41 H new ATOM 0 HD11 ILE A 58 5.566 -0.770 11.362 1.00 21.30 H new ATOM 0 HD12 ILE A 58 4.220 -0.144 12.343 1.00 21.30 H new ATOM 0 HD13 ILE A 58 5.669 -0.803 13.139 1.00 21.30 H new ATOM 1120 N GLU A 59 0.657 -2.280 12.819 1.00 54.42 N ATOM 1121 CA GLU A 59 -0.428 -1.691 12.032 1.00 12.40 C ATOM 1122 C GLU A 59 -0.124 -0.219 11.755 1.00 51.03 C ATOM 1123 O GLU A 59 0.251 0.525 12.664 1.00 71.13 O ATOM 1124 CB GLU A 59 -1.755 -1.827 12.784 1.00 32.22 C ATOM 1125 CG GLU A 59 -2.922 -1.133 12.099 1.00 25.31 C ATOM 1126 CD GLU A 59 -3.323 0.148 12.799 1.00 15.25 C ATOM 1127 OE1 GLU A 59 -4.056 0.068 13.807 1.00 33.42 O ATOM 1128 OE2 GLU A 59 -2.899 1.230 12.344 1.00 51.24 O ATOM 0 H GLU A 59 0.747 -1.886 13.755 1.00 54.42 H new ATOM 0 HA GLU A 59 -0.510 -2.220 11.082 1.00 12.40 H new ATOM 0 HB2 GLU A 59 -1.990 -2.885 12.899 1.00 32.22 H new ATOM 0 HB3 GLU A 59 -1.638 -1.416 13.787 1.00 32.22 H new ATOM 0 HG2 GLU A 59 -2.654 -0.911 11.066 1.00 25.31 H new ATOM 0 HG3 GLU A 59 -3.776 -1.810 12.068 1.00 25.31 H new ATOM 1135 N VAL A 60 -0.272 0.197 10.497 1.00 43.31 N ATOM 1136 CA VAL A 60 0.006 1.580 10.117 1.00 60.32 C ATOM 1137 C VAL A 60 -1.220 2.252 9.501 1.00 25.40 C ATOM 1138 O VAL A 60 -1.987 1.621 8.770 1.00 41.11 O ATOM 1139 CB VAL A 60 1.190 1.662 9.126 1.00 33.43 C ATOM 1140 CG1 VAL A 60 1.396 3.090 8.636 1.00 11.33 C ATOM 1141 CG2 VAL A 60 2.462 1.129 9.770 1.00 22.33 C ATOM 0 H VAL A 60 -0.581 -0.400 9.730 1.00 43.31 H new ATOM 0 HA VAL A 60 0.271 2.110 11.032 1.00 60.32 H new ATOM 0 HB VAL A 60 0.951 1.041 8.263 1.00 33.43 H new ATOM 0 HG11 VAL A 60 2.235 3.119 7.941 1.00 11.33 H new ATOM 0 HG12 VAL A 60 0.494 3.435 8.131 1.00 11.33 H new ATOM 0 HG13 VAL A 60 1.607 3.739 9.486 1.00 11.33 H new ATOM 0 HG21 VAL A 60 3.285 1.194 9.058 1.00 22.33 H new ATOM 0 HG22 VAL A 60 2.698 1.722 10.654 1.00 22.33 H new ATOM 0 HG23 VAL A 60 2.315 0.089 10.060 1.00 22.33 H new ATOM 1151 N VAL A 61 -1.385 3.542 9.797 1.00 51.31 N ATOM 1152 CA VAL A 61 -2.502 4.321 9.273 1.00 14.14 C ATOM 1153 C VAL A 61 -2.002 5.561 8.528 1.00 23.40 C ATOM 1154 O VAL A 61 -0.952 6.118 8.863 1.00 4.12 O ATOM 1155 CB VAL A 61 -3.471 4.751 10.398 1.00 72.31 C ATOM 1156 CG1 VAL A 61 -2.773 5.658 11.404 1.00 62.11 C ATOM 1157 CG2 VAL A 61 -4.700 5.436 9.816 1.00 63.33 C ATOM 0 H VAL A 61 -0.754 4.070 10.400 1.00 51.31 H new ATOM 0 HA VAL A 61 -3.041 3.678 8.577 1.00 14.14 H new ATOM 0 HB VAL A 61 -3.796 3.854 10.924 1.00 72.31 H new ATOM 0 HG11 VAL A 61 -3.477 5.946 12.185 1.00 62.11 H new ATOM 0 HG12 VAL A 61 -1.933 5.127 11.851 1.00 62.11 H new ATOM 0 HG13 VAL A 61 -2.409 6.551 10.897 1.00 62.11 H new ATOM 0 HG21 VAL A 61 -5.369 5.731 10.624 1.00 63.33 H new ATOM 0 HG22 VAL A 61 -4.393 6.321 9.258 1.00 63.33 H new ATOM 0 HG23 VAL A 61 -5.218 4.748 9.149 1.00 63.33 H new ATOM 1167 N PHE A 62 -2.761 5.986 7.519 1.00 52.13 N ATOM 1168 CA PHE A 62 -2.405 7.156 6.725 1.00 12.54 C ATOM 1169 C PHE A 62 -3.654 7.941 6.320 1.00 3.10 C ATOM 1170 O PHE A 62 -4.766 7.410 6.343 1.00 42.14 O ATOM 1171 CB PHE A 62 -1.616 6.730 5.476 1.00 24.43 C ATOM 1172 CG PHE A 62 -2.399 6.823 4.192 1.00 24.13 C ATOM 1173 CD1 PHE A 62 -3.381 5.892 3.892 1.00 73.34 C ATOM 1174 CD2 PHE A 62 -2.158 7.849 3.293 1.00 32.33 C ATOM 1175 CE1 PHE A 62 -4.106 5.985 2.718 1.00 40.54 C ATOM 1176 CE2 PHE A 62 -2.880 7.944 2.121 1.00 5.22 C ATOM 1177 CZ PHE A 62 -3.855 7.011 1.833 1.00 2.24 C ATOM 0 H PHE A 62 -3.629 5.534 7.233 1.00 52.13 H new ATOM 0 HA PHE A 62 -1.777 7.805 7.336 1.00 12.54 H new ATOM 0 HB2 PHE A 62 -0.726 7.353 5.392 1.00 24.43 H new ATOM 0 HB3 PHE A 62 -1.275 5.703 5.608 1.00 24.43 H new ATOM 0 HD1 PHE A 62 -3.582 5.086 4.582 1.00 73.34 H new ATOM 0 HD2 PHE A 62 -1.396 8.583 3.512 1.00 32.33 H new ATOM 0 HE1 PHE A 62 -4.869 5.254 2.495 1.00 40.54 H new ATOM 0 HE2 PHE A 62 -2.682 8.749 1.429 1.00 5.22 H new ATOM 0 HZ PHE A 62 -4.420 7.085 0.916 1.00 2.24 H new ATOM 1187 N GLU A 63 -3.452 9.197 5.930 1.00 63.42 N ATOM 1188 CA GLU A 63 -4.545 10.058 5.494 1.00 3.42 C ATOM 1189 C GLU A 63 -4.194 10.708 4.161 1.00 41.15 C ATOM 1190 O GLU A 63 -3.165 11.374 4.049 1.00 14.31 O ATOM 1191 CB GLU A 63 -4.833 11.129 6.546 1.00 15.30 C ATOM 1192 CG GLU A 63 -6.076 10.842 7.376 1.00 5.21 C ATOM 1193 CD GLU A 63 -5.756 10.316 8.763 1.00 21.41 C ATOM 1194 OE1 GLU A 63 -4.868 9.444 8.882 1.00 73.55 O ATOM 1195 OE2 GLU A 63 -6.396 10.774 9.732 1.00 23.24 O ATOM 0 H GLU A 63 -2.535 9.642 5.908 1.00 63.42 H new ATOM 0 HA GLU A 63 -5.441 9.451 5.367 1.00 3.42 H new ATOM 0 HB2 GLU A 63 -3.973 11.215 7.211 1.00 15.30 H new ATOM 0 HB3 GLU A 63 -4.951 12.093 6.050 1.00 15.30 H new ATOM 0 HG2 GLU A 63 -6.664 11.755 7.467 1.00 5.21 H new ATOM 0 HG3 GLU A 63 -6.696 10.115 6.852 1.00 5.21 H new ATOM 1202 N LEU A 64 -5.038 10.495 3.148 1.00 41.24 N ATOM 1203 CA LEU A 64 -4.792 11.051 1.816 1.00 25.31 C ATOM 1204 C LEU A 64 -4.511 12.554 1.875 1.00 64.21 C ATOM 1205 O LEU A 64 -5.415 13.358 2.111 1.00 75.33 O ATOM 1206 CB LEU A 64 -5.981 10.788 0.878 1.00 72.43 C ATOM 1207 CG LEU A 64 -6.055 9.386 0.256 1.00 43.35 C ATOM 1208 CD1 LEU A 64 -7.263 9.280 -0.663 1.00 25.50 C ATOM 1209 CD2 LEU A 64 -4.779 9.074 -0.512 1.00 34.21 C ATOM 0 H LEU A 64 -5.893 9.944 3.224 1.00 41.24 H new ATOM 0 HA LEU A 64 -3.909 10.548 1.422 1.00 25.31 H new ATOM 0 HB2 LEU A 64 -6.902 10.966 1.434 1.00 72.43 H new ATOM 0 HB3 LEU A 64 -5.949 11.520 0.071 1.00 72.43 H new ATOM 0 HG LEU A 64 -6.161 8.657 1.059 1.00 43.35 H new ATOM 0 HD11 LEU A 64 -7.303 8.281 -1.097 1.00 25.50 H new ATOM 0 HD12 LEU A 64 -8.172 9.464 -0.091 1.00 25.50 H new ATOM 0 HD13 LEU A 64 -7.180 10.019 -1.460 1.00 25.50 H new ATOM 0 HD21 LEU A 64 -4.850 8.076 -0.946 1.00 34.21 H new ATOM 0 HD22 LEU A 64 -4.645 9.807 -1.308 1.00 34.21 H new ATOM 0 HD23 LEU A 64 -3.927 9.115 0.166 1.00 34.21 H new ATOM 1221 N GLY A 65 -3.251 12.917 1.641 1.00 13.13 N ATOM 1222 CA GLY A 65 -2.852 14.320 1.645 1.00 61.23 C ATOM 1223 C GLY A 65 -2.349 14.824 2.992 1.00 33.40 C ATOM 1224 O GLY A 65 -2.268 16.035 3.202 1.00 31.14 O ATOM 0 H GLY A 65 -2.494 12.262 1.447 1.00 13.13 H new ATOM 0 HA2 GLY A 65 -2.069 14.465 0.900 1.00 61.23 H new ATOM 0 HA3 GLY A 65 -3.702 14.928 1.337 1.00 61.23 H new ATOM 1228 N VAL A 66 -2.011 13.910 3.903 1.00 54.12 N ATOM 1229 CA VAL A 66 -1.516 14.291 5.226 1.00 53.02 C ATOM 1230 C VAL A 66 -0.136 13.688 5.493 1.00 43.05 C ATOM 1231 O VAL A 66 -0.012 12.484 5.719 1.00 34.55 O ATOM 1232 CB VAL A 66 -2.494 13.849 6.336 1.00 4.02 C ATOM 1233 CG1 VAL A 66 -2.136 14.502 7.663 1.00 63.24 C ATOM 1234 CG2 VAL A 66 -3.929 14.177 5.944 1.00 60.25 C ATOM 0 H VAL A 66 -2.071 12.903 3.749 1.00 54.12 H new ATOM 0 HA VAL A 66 -1.436 15.378 5.238 1.00 53.02 H new ATOM 0 HB VAL A 66 -2.409 12.769 6.457 1.00 4.02 H new ATOM 0 HG11 VAL A 66 -2.838 14.176 8.430 1.00 63.24 H new ATOM 0 HG12 VAL A 66 -1.125 14.212 7.950 1.00 63.24 H new ATOM 0 HG13 VAL A 66 -2.188 15.586 7.561 1.00 63.24 H new ATOM 0 HG21 VAL A 66 -4.605 13.859 6.738 1.00 60.25 H new ATOM 0 HG22 VAL A 66 -4.028 15.252 5.792 1.00 60.25 H new ATOM 0 HG23 VAL A 66 -4.182 13.656 5.021 1.00 60.25 H new ATOM 1244 N THR A 67 0.898 14.534 5.460 1.00 22.33 N ATOM 1245 CA THR A 67 2.275 14.086 5.691 1.00 62.25 C ATOM 1246 C THR A 67 2.518 13.759 7.162 1.00 44.54 C ATOM 1247 O THR A 67 2.149 14.531 8.049 1.00 11.02 O ATOM 1248 CB THR A 67 3.276 15.149 5.222 1.00 75.24 C ATOM 1249 OG1 THR A 67 3.032 15.508 3.872 1.00 3.31 O ATOM 1250 CG2 THR A 67 4.723 14.702 5.324 1.00 44.42 C ATOM 0 H THR A 67 0.808 15.533 5.276 1.00 22.33 H new ATOM 0 HA THR A 67 2.423 13.176 5.110 1.00 62.25 H new ATOM 0 HB THR A 67 3.128 15.997 5.891 1.00 75.24 H new ATOM 0 HG1 THR A 67 3.680 16.188 3.592 1.00 3.31 H new ATOM 0 HG21 THR A 67 5.376 15.502 4.976 1.00 44.42 H new ATOM 0 HG22 THR A 67 4.959 14.466 6.362 1.00 44.42 H new ATOM 0 HG23 THR A 67 4.874 13.816 4.707 1.00 44.42 H new ATOM 1258 N PHE A 68 3.151 12.611 7.411 1.00 31.50 N ATOM 1259 CA PHE A 68 3.456 12.181 8.775 1.00 0.00 C ATOM 1260 C PHE A 68 4.899 11.682 8.881 1.00 75.51 C ATOM 1261 O PHE A 68 5.632 11.657 7.889 1.00 12.33 O ATOM 1262 CB PHE A 68 2.474 11.088 9.227 1.00 52.04 C ATOM 1263 CG PHE A 68 2.872 9.691 8.827 1.00 41.54 C ATOM 1264 CD1 PHE A 68 2.818 9.291 7.502 1.00 12.23 C ATOM 1265 CD2 PHE A 68 3.296 8.778 9.780 1.00 20.41 C ATOM 1266 CE1 PHE A 68 3.178 8.010 7.134 1.00 43.01 C ATOM 1267 CE2 PHE A 68 3.659 7.494 9.418 1.00 5.12 C ATOM 1268 CZ PHE A 68 3.599 7.110 8.092 1.00 44.54 C ATOM 0 H PHE A 68 3.462 11.964 6.686 1.00 31.50 H new ATOM 0 HA PHE A 68 3.345 13.042 9.435 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.378 11.129 10.312 1.00 52.04 H new ATOM 0 HB3 PHE A 68 1.490 11.306 8.811 1.00 52.04 H new ATOM 0 HD1 PHE A 68 2.490 9.990 6.747 1.00 12.23 H new ATOM 0 HD2 PHE A 68 3.343 9.073 10.818 1.00 20.41 H new ATOM 0 HE1 PHE A 68 3.130 7.712 6.097 1.00 43.01 H new ATOM 0 HE2 PHE A 68 3.989 6.793 10.170 1.00 5.12 H new ATOM 0 HZ PHE A 68 3.881 6.108 7.806 1.00 44.54 H new ATOM 1278 N ASN A 69 5.296 11.283 10.088 1.00 43.12 N ATOM 1279 CA ASN A 69 6.644 10.781 10.328 1.00 25.13 C ATOM 1280 C ASN A 69 6.615 9.284 10.627 1.00 33.41 C ATOM 1281 O ASN A 69 5.976 8.845 11.585 1.00 42.23 O ATOM 1282 CB ASN A 69 7.297 11.536 11.489 1.00 45.42 C ATOM 1283 CG ASN A 69 8.679 11.009 11.818 1.00 0.14 C ATOM 1284 OD1 ASN A 69 9.687 11.595 11.422 1.00 45.12 O ATOM 1285 ND2 ASN A 69 8.736 9.898 12.547 1.00 22.53 N ATOM 0 H ASN A 69 4.700 11.298 10.916 1.00 43.12 H new ATOM 0 HA ASN A 69 7.234 10.944 9.426 1.00 25.13 H new ATOM 0 HB2 ASN A 69 7.365 12.594 11.237 1.00 45.42 H new ATOM 0 HB3 ASN A 69 6.662 11.458 12.372 1.00 45.42 H new ATOM 0 HD21 ASN A 69 9.640 9.499 12.799 1.00 22.53 H new ATOM 0 HD22 ASN A 69 7.875 9.445 12.854 1.00 22.53 H new ATOM 1292 N TYR A 70 7.316 8.508 9.807 1.00 24.33 N ATOM 1293 CA TYR A 70 7.375 7.061 9.987 1.00 33.55 C ATOM 1294 C TYR A 70 8.756 6.638 10.479 1.00 23.32 C ATOM 1295 O TYR A 70 9.776 7.104 9.966 1.00 71.21 O ATOM 1296 CB TYR A 70 7.038 6.350 8.672 1.00 55.41 C ATOM 1297 CG TYR A 70 6.979 4.840 8.785 1.00 73.43 C ATOM 1298 CD1 TYR A 70 5.991 4.215 9.539 1.00 51.04 C ATOM 1299 CD2 TYR A 70 7.909 4.040 8.133 1.00 40.22 C ATOM 1300 CE1 TYR A 70 5.933 2.838 9.639 1.00 13.53 C ATOM 1301 CE2 TYR A 70 7.857 2.661 8.226 1.00 25.40 C ATOM 1302 CZ TYR A 70 6.867 2.065 8.980 1.00 2.22 C ATOM 1303 OH TYR A 70 6.808 0.691 9.074 1.00 53.12 O ATOM 0 H TYR A 70 7.851 8.856 9.012 1.00 24.33 H new ATOM 0 HA TYR A 70 6.639 6.775 10.739 1.00 33.55 H new ATOM 0 HB2 TYR A 70 6.077 6.715 8.310 1.00 55.41 H new ATOM 0 HB3 TYR A 70 7.784 6.619 7.924 1.00 55.41 H new ATOM 0 HD1 TYR A 70 5.257 4.816 10.055 1.00 51.04 H new ATOM 0 HD2 TYR A 70 8.686 4.503 7.543 1.00 40.22 H new ATOM 0 HE1 TYR A 70 5.160 2.369 10.230 1.00 13.53 H new ATOM 0 HE2 TYR A 70 8.587 2.054 7.711 1.00 25.40 H new ATOM 0 HH TYR A 70 7.536 0.296 8.551 1.00 53.12 H new ATOM 1313 N ASN A 71 8.785 5.749 11.472 1.00 0.22 N ATOM 1314 CA ASN A 71 10.047 5.267 12.022 1.00 4.24 C ATOM 1315 C ASN A 71 10.474 3.975 11.337 1.00 61.42 C ATOM 1316 O ASN A 71 9.676 3.335 10.652 1.00 34.32 O ATOM 1317 CB ASN A 71 9.930 5.052 13.534 1.00 22.50 C ATOM 1318 CG ASN A 71 11.213 5.403 14.262 1.00 0.31 C ATOM 1319 OD1 ASN A 71 11.838 4.548 14.888 1.00 1.51 O ATOM 1320 ND2 ASN A 71 11.618 6.665 14.177 1.00 31.50 N ATOM 0 H ASN A 71 7.953 5.351 11.908 1.00 0.22 H new ATOM 0 HA ASN A 71 10.809 6.025 11.837 1.00 4.24 H new ATOM 0 HB2 ASN A 71 9.114 5.661 13.924 1.00 22.50 H new ATOM 0 HB3 ASN A 71 9.674 4.011 13.733 1.00 22.50 H new ATOM 0 HD21 ASN A 71 12.478 6.957 14.641 1.00 31.50 H new ATOM 0 HD22 ASN A 71 11.069 7.342 13.647 1.00 31.50 H new ATOM 1327 N LEU A 72 11.738 3.599 11.517 1.00 4.10 N ATOM 1328 CA LEU A 72 12.267 2.385 10.906 1.00 63.14 C ATOM 1329 C LEU A 72 12.732 1.382 11.959 1.00 51.42 C ATOM 1330 O LEU A 72 12.748 1.680 13.156 1.00 45.31 O ATOM 1331 CB LEU A 72 13.417 2.729 9.958 1.00 43.25 C ATOM 1332 CG LEU A 72 12.987 3.061 8.529 1.00 71.12 C ATOM 1333 CD1 LEU A 72 14.094 3.799 7.795 1.00 33.34 C ATOM 1334 CD2 LEU A 72 12.598 1.793 7.782 1.00 72.12 C ATOM 0 H LEU A 72 12.413 4.117 12.080 1.00 4.10 H new ATOM 0 HA LEU A 72 11.461 1.920 10.338 1.00 63.14 H new ATOM 0 HB2 LEU A 72 13.964 3.579 10.365 1.00 43.25 H new ATOM 0 HB3 LEU A 72 14.110 1.888 9.929 1.00 43.25 H new ATOM 0 HG LEU A 72 12.115 3.714 8.574 1.00 71.12 H new ATOM 0 HD11 LEU A 72 13.769 4.026 6.780 1.00 33.34 H new ATOM 0 HD12 LEU A 72 14.322 4.727 8.319 1.00 33.34 H new ATOM 0 HD13 LEU A 72 14.986 3.174 7.759 1.00 33.34 H new ATOM 0 HD21 LEU A 72 12.295 2.048 6.767 1.00 72.12 H new ATOM 0 HD22 LEU A 72 13.451 1.115 7.747 1.00 72.12 H new ATOM 0 HD23 LEU A 72 11.770 1.307 8.297 1.00 72.12 H new ATOM 1346 N ALA A 73 13.105 0.188 11.498 1.00 21.44 N ATOM 1347 CA ALA A 73 13.567 -0.880 12.383 1.00 34.41 C ATOM 1348 C ALA A 73 14.923 -0.566 13.030 1.00 52.04 C ATOM 1349 O ALA A 73 15.336 -1.261 13.960 1.00 12.52 O ATOM 1350 CB ALA A 73 13.640 -2.195 11.616 1.00 51.52 C ATOM 0 H ALA A 73 13.096 -0.064 10.510 1.00 21.44 H new ATOM 0 HA ALA A 73 12.842 -0.965 13.193 1.00 34.41 H new ATOM 0 HB1 ALA A 73 13.985 -2.986 12.282 1.00 51.52 H new ATOM 0 HB2 ALA A 73 12.651 -2.448 11.233 1.00 51.52 H new ATOM 0 HB3 ALA A 73 14.336 -2.092 10.783 1.00 51.52 H new ATOM 1356 N ASP A 74 15.620 0.465 12.538 1.00 74.13 N ATOM 1357 CA ASP A 74 16.932 0.835 13.081 1.00 25.12 C ATOM 1358 C ASP A 74 16.900 2.170 13.837 1.00 64.22 C ATOM 1359 O ASP A 74 17.853 2.502 14.545 1.00 4.40 O ATOM 1360 CB ASP A 74 17.969 0.898 11.957 1.00 60.12 C ATOM 1361 CG ASP A 74 17.938 -0.334 11.072 1.00 61.21 C ATOM 1362 OD1 ASP A 74 18.579 -1.345 11.436 1.00 5.34 O ATOM 1363 OD2 ASP A 74 17.266 -0.291 10.020 1.00 1.00 O ATOM 0 H ASP A 74 15.300 1.055 11.770 1.00 74.13 H new ATOM 0 HA ASP A 74 17.210 0.063 13.798 1.00 25.12 H new ATOM 0 HB2 ASP A 74 17.788 1.784 11.348 1.00 60.12 H new ATOM 0 HB3 ASP A 74 18.964 1.006 12.390 1.00 60.12 H new ATOM 1368 N GLY A 75 15.810 2.930 13.694 1.00 41.01 N ATOM 1369 CA GLY A 75 15.697 4.207 14.384 1.00 0.13 C ATOM 1370 C GLY A 75 15.765 5.412 13.457 1.00 72.32 C ATOM 1371 O GLY A 75 16.065 6.518 13.907 1.00 65.34 O ATOM 0 H GLY A 75 15.007 2.684 13.115 1.00 41.01 H new ATOM 0 HA2 GLY A 75 14.754 4.233 14.930 1.00 0.13 H new ATOM 0 HA3 GLY A 75 16.495 4.283 15.123 1.00 0.13 H new ATOM 1375 N THR A 76 15.479 5.210 12.168 1.00 71.52 N ATOM 1376 CA THR A 76 15.502 6.302 11.195 1.00 14.02 C ATOM 1377 C THR A 76 14.078 6.764 10.893 1.00 24.24 C ATOM 1378 O THR A 76 13.210 5.949 10.572 1.00 72.14 O ATOM 1379 CB THR A 76 16.201 5.860 9.902 1.00 43.14 C ATOM 1380 OG1 THR A 76 17.544 5.477 10.159 1.00 2.34 O ATOM 1381 CG2 THR A 76 16.227 6.933 8.826 1.00 5.13 C ATOM 0 H THR A 76 15.230 4.302 11.776 1.00 71.52 H new ATOM 0 HA THR A 76 16.062 7.134 11.621 1.00 14.02 H new ATOM 0 HB THR A 76 15.612 5.019 9.536 1.00 43.14 H new ATOM 0 HG1 THR A 76 17.970 5.197 9.322 1.00 2.34 H new ATOM 0 HG21 THR A 76 16.736 6.549 7.942 1.00 5.13 H new ATOM 0 HG22 THR A 76 15.206 7.211 8.565 1.00 5.13 H new ATOM 0 HG23 THR A 76 16.757 7.809 9.199 1.00 5.13 H new ATOM 1389 N GLU A 77 13.838 8.069 10.999 1.00 21.10 N ATOM 1390 CA GLU A 77 12.509 8.621 10.737 1.00 65.25 C ATOM 1391 C GLU A 77 12.456 9.329 9.388 1.00 53.33 C ATOM 1392 O GLU A 77 13.249 10.231 9.116 1.00 12.43 O ATOM 1393 CB GLU A 77 12.060 9.585 11.848 1.00 4.23 C ATOM 1394 CG GLU A 77 13.189 10.207 12.660 1.00 42.22 C ATOM 1395 CD GLU A 77 13.437 9.472 13.963 1.00 55.32 C ATOM 1396 OE1 GLU A 77 12.555 9.515 14.847 1.00 73.52 O ATOM 1397 OE2 GLU A 77 14.509 8.852 14.102 1.00 41.12 O ATOM 0 H GLU A 77 14.540 8.760 11.262 1.00 21.10 H new ATOM 0 HA GLU A 77 11.820 7.776 10.717 1.00 65.25 H new ATOM 0 HB2 GLU A 77 11.474 10.386 11.398 1.00 4.23 H new ATOM 0 HB3 GLU A 77 11.398 9.048 12.527 1.00 4.23 H new ATOM 0 HG2 GLU A 77 14.103 10.206 12.066 1.00 42.22 H new ATOM 0 HG3 GLU A 77 12.948 11.248 12.874 1.00 42.22 H new ATOM 1404 N LEU A 78 11.500 8.919 8.555 1.00 44.02 N ATOM 1405 CA LEU A 78 11.313 9.512 7.233 1.00 74.41 C ATOM 1406 C LEU A 78 9.985 10.262 7.185 1.00 65.44 C ATOM 1407 O LEU A 78 9.037 9.905 7.889 1.00 53.24 O ATOM 1408 CB LEU A 78 11.323 8.444 6.126 1.00 53.34 C ATOM 1409 CG LEU A 78 12.317 7.287 6.280 1.00 24.10 C ATOM 1410 CD1 LEU A 78 13.568 7.709 7.040 1.00 43.13 C ATOM 1411 CD2 LEU A 78 11.636 6.109 6.954 1.00 53.31 C ATOM 0 H LEU A 78 10.840 8.174 8.775 1.00 44.02 H new ATOM 0 HA LEU A 78 12.142 10.198 7.060 1.00 74.41 H new ATOM 0 HB2 LEU A 78 10.321 8.022 6.055 1.00 53.34 H new ATOM 0 HB3 LEU A 78 11.527 8.942 5.178 1.00 53.34 H new ATOM 0 HG LEU A 78 12.643 6.985 5.285 1.00 24.10 H new ATOM 0 HD11 LEU A 78 14.245 6.859 7.126 1.00 43.13 H new ATOM 0 HD12 LEU A 78 14.065 8.516 6.502 1.00 43.13 H new ATOM 0 HD13 LEU A 78 13.290 8.054 8.036 1.00 43.13 H new ATOM 0 HD21 LEU A 78 12.347 5.290 7.061 1.00 53.31 H new ATOM 0 HD22 LEU A 78 11.279 6.410 7.939 1.00 53.31 H new ATOM 0 HD23 LEU A 78 10.792 5.780 6.347 1.00 53.31 H new ATOM 1423 N ARG A 79 9.911 11.283 6.337 1.00 45.21 N ATOM 1424 CA ARG A 79 8.687 12.062 6.184 1.00 51.34 C ATOM 1425 C ARG A 79 8.046 11.762 4.835 1.00 35.54 C ATOM 1426 O ARG A 79 8.573 12.146 3.788 1.00 14.43 O ATOM 1427 CB ARG A 79 8.975 13.561 6.315 1.00 45.42 C ATOM 1428 CG ARG A 79 8.170 14.237 7.416 1.00 13.20 C ATOM 1429 CD ARG A 79 8.769 15.578 7.821 1.00 13.10 C ATOM 1430 NE ARG A 79 10.229 15.530 7.916 1.00 40.04 N ATOM 1431 CZ ARG A 79 10.899 14.921 8.900 1.00 14.34 C ATOM 1432 NH1 ARG A 79 10.244 14.321 9.893 1.00 31.25 N ATOM 1433 NH2 ARG A 79 12.229 14.914 8.891 1.00 63.35 N ATOM 0 H ARG A 79 10.683 11.590 5.746 1.00 45.21 H new ATOM 0 HA ARG A 79 7.995 11.779 6.977 1.00 51.34 H new ATOM 0 HB2 ARG A 79 10.038 13.703 6.512 1.00 45.42 H new ATOM 0 HB3 ARG A 79 8.759 14.049 5.365 1.00 45.42 H new ATOM 0 HG2 ARG A 79 7.145 14.386 7.076 1.00 13.20 H new ATOM 0 HG3 ARG A 79 8.125 13.582 8.286 1.00 13.20 H new ATOM 0 HD2 ARG A 79 8.479 16.337 7.094 1.00 13.10 H new ATOM 0 HD3 ARG A 79 8.355 15.883 8.782 1.00 13.10 H new ATOM 0 HE ARG A 79 10.770 15.991 7.184 1.00 40.04 H new ATOM 0 HH11 ARG A 79 9.224 14.324 9.906 1.00 31.25 H new ATOM 0 HH12 ARG A 79 10.762 13.859 10.640 1.00 31.25 H new ATOM 0 HH21 ARG A 79 12.736 15.373 8.134 1.00 63.35 H new ATOM 0 HH22 ARG A 79 12.742 14.450 9.641 1.00 63.35 H new ATOM 1447 N GLY A 80 6.917 11.056 4.864 1.00 20.12 N ATOM 1448 CA GLY A 80 6.235 10.704 3.633 1.00 5.12 C ATOM 1449 C GLY A 80 4.799 10.256 3.853 1.00 23.10 C ATOM 1450 O GLY A 80 4.328 10.193 4.994 1.00 3.42 O ATOM 0 H GLY A 80 6.465 10.723 5.716 1.00 20.12 H new ATOM 0 HA2 GLY A 80 6.242 11.563 2.962 1.00 5.12 H new ATOM 0 HA3 GLY A 80 6.786 9.906 3.135 1.00 5.12 H new ATOM 1454 N THR A 81 4.109 9.938 2.750 1.00 23.20 N ATOM 1455 CA THR A 81 2.710 9.479 2.797 1.00 3.01 C ATOM 1456 C THR A 81 2.173 9.181 1.392 1.00 23.23 C ATOM 1457 O THR A 81 2.923 9.199 0.412 1.00 65.31 O ATOM 1458 CB THR A 81 1.796 10.515 3.472 1.00 44.13 C ATOM 1459 OG1 THR A 81 2.495 11.704 3.791 1.00 5.01 O ATOM 1460 CG2 THR A 81 1.137 10.000 4.738 1.00 53.55 C ATOM 0 H THR A 81 4.497 9.990 1.808 1.00 23.20 H new ATOM 0 HA THR A 81 2.704 8.563 3.387 1.00 3.01 H new ATOM 0 HB THR A 81 1.020 10.721 2.735 1.00 44.13 H new ATOM 0 HG1 THR A 81 2.145 12.444 3.252 1.00 5.01 H new ATOM 0 HG21 THR A 81 0.506 10.781 5.163 1.00 53.55 H new ATOM 0 HG22 THR A 81 0.526 9.129 4.502 1.00 53.55 H new ATOM 0 HG23 THR A 81 1.904 9.720 5.460 1.00 53.55 H new ATOM 1468 N TRP A 82 0.864 8.909 1.303 1.00 2.44 N ATOM 1469 CA TRP A 82 0.222 8.607 0.024 1.00 71.44 C ATOM 1470 C TRP A 82 -0.812 9.668 -0.356 1.00 1.42 C ATOM 1471 O TRP A 82 -1.453 10.268 0.505 1.00 12.53 O ATOM 1472 CB TRP A 82 -0.440 7.230 0.077 1.00 1.30 C ATOM 1473 CG TRP A 82 0.544 6.110 -0.023 1.00 33.42 C ATOM 1474 CD1 TRP A 82 1.281 5.576 0.992 1.00 4.21 C ATOM 1475 CD2 TRP A 82 0.910 5.397 -1.208 1.00 22.31 C ATOM 1476 NE1 TRP A 82 2.083 4.571 0.512 1.00 0.34 N ATOM 1477 CE2 TRP A 82 1.873 4.443 -0.835 1.00 33.30 C ATOM 1478 CE3 TRP A 82 0.516 5.471 -2.548 1.00 34.10 C ATOM 1479 CZ2 TRP A 82 2.449 3.572 -1.753 1.00 32.11 C ATOM 1480 CZ3 TRP A 82 1.089 4.605 -3.457 1.00 51.42 C ATOM 1481 CH2 TRP A 82 2.047 3.666 -3.056 1.00 21.24 C ATOM 0 H TRP A 82 0.232 8.893 2.104 1.00 2.44 H new ATOM 0 HA TRP A 82 0.998 8.608 -0.741 1.00 71.44 H new ATOM 0 HB2 TRP A 82 -0.997 7.136 1.009 1.00 1.30 H new ATOM 0 HB3 TRP A 82 -1.162 7.147 -0.736 1.00 1.30 H new ATOM 0 HD1 TRP A 82 1.240 5.897 2.022 1.00 4.21 H new ATOM 0 HE1 TRP A 82 2.730 4.011 1.068 1.00 0.34 H new ATOM 0 HE3 TRP A 82 -0.223 6.192 -2.865 1.00 34.10 H new ATOM 0 HZ2 TRP A 82 3.188 2.846 -1.447 1.00 32.11 H new ATOM 0 HZ3 TRP A 82 0.794 4.652 -4.495 1.00 51.42 H new ATOM 0 HH2 TRP A 82 2.477 3.002 -3.791 1.00 21.24 H new ATOM 1492 N SER A 83 -0.968 9.889 -1.658 1.00 0.45 N ATOM 1493 CA SER A 83 -1.919 10.870 -2.170 1.00 45.33 C ATOM 1494 C SER A 83 -2.323 10.531 -3.600 1.00 14.00 C ATOM 1495 O SER A 83 -1.480 10.462 -4.495 1.00 21.33 O ATOM 1496 CB SER A 83 -1.329 12.285 -2.110 1.00 45.54 C ATOM 1497 OG SER A 83 0.081 12.267 -2.261 1.00 64.21 O ATOM 0 H SER A 83 -0.444 9.398 -2.382 1.00 0.45 H new ATOM 0 HA SER A 83 -2.807 10.838 -1.539 1.00 45.33 H new ATOM 0 HB2 SER A 83 -1.772 12.899 -2.894 1.00 45.54 H new ATOM 0 HB3 SER A 83 -1.588 12.748 -1.158 1.00 45.54 H new ATOM 0 HG SER A 83 0.426 13.183 -2.220 1.00 64.21 H new ATOM 1503 N LEU A 84 -3.620 10.314 -3.805 1.00 31.40 N ATOM 1504 CA LEU A 84 -4.143 9.976 -5.119 1.00 34.22 C ATOM 1505 C LEU A 84 -4.324 11.231 -5.969 1.00 61.13 C ATOM 1506 O LEU A 84 -5.186 12.068 -5.690 1.00 43.23 O ATOM 1507 CB LEU A 84 -5.468 9.222 -4.967 1.00 23.12 C ATOM 1508 CG LEU A 84 -6.373 9.191 -6.201 1.00 1.51 C ATOM 1509 CD1 LEU A 84 -5.907 8.133 -7.193 1.00 32.23 C ATOM 1510 CD2 LEU A 84 -7.805 8.933 -5.770 1.00 4.53 C ATOM 0 H LEU A 84 -4.328 10.367 -3.072 1.00 31.40 H new ATOM 0 HA LEU A 84 -3.428 9.331 -5.630 1.00 34.22 H new ATOM 0 HB2 LEU A 84 -5.246 8.194 -4.679 1.00 23.12 H new ATOM 0 HB3 LEU A 84 -6.025 9.671 -4.145 1.00 23.12 H new ATOM 0 HG LEU A 84 -6.320 10.157 -6.703 1.00 1.51 H new ATOM 0 HD11 LEU A 84 -6.567 8.132 -8.060 1.00 32.23 H new ATOM 0 HD12 LEU A 84 -4.889 8.357 -7.512 1.00 32.23 H new ATOM 0 HD13 LEU A 84 -5.931 7.153 -6.717 1.00 32.23 H new ATOM 0 HD21 LEU A 84 -8.451 8.911 -6.648 1.00 4.53 H new ATOM 0 HD22 LEU A 84 -7.862 7.975 -5.253 1.00 4.53 H new ATOM 0 HD23 LEU A 84 -8.132 9.728 -5.099 1.00 4.53 H new ATOM 1522 N GLU A 85 -3.505 11.345 -7.011 1.00 64.11 N ATOM 1523 CA GLU A 85 -3.565 12.485 -7.923 1.00 75.32 C ATOM 1524 C GLU A 85 -4.077 12.034 -9.283 1.00 62.42 C ATOM 1525 O GLU A 85 -3.598 11.043 -9.839 1.00 4.22 O ATOM 1526 CB GLU A 85 -2.192 13.138 -8.071 1.00 42.01 C ATOM 1527 CG GLU A 85 -1.639 13.699 -6.771 1.00 31.23 C ATOM 1528 CD GLU A 85 -0.246 14.272 -6.929 1.00 52.24 C ATOM 1529 OE1 GLU A 85 -0.114 15.361 -7.525 1.00 72.51 O ATOM 1530 OE2 GLU A 85 0.715 13.630 -6.456 1.00 22.42 O ATOM 0 H GLU A 85 -2.788 10.658 -7.246 1.00 64.11 H new ATOM 0 HA GLU A 85 -4.251 13.223 -7.506 1.00 75.32 H new ATOM 0 HB2 GLU A 85 -1.491 12.403 -8.467 1.00 42.01 H new ATOM 0 HB3 GLU A 85 -2.259 13.942 -8.804 1.00 42.01 H new ATOM 0 HG2 GLU A 85 -2.308 14.476 -6.402 1.00 31.23 H new ATOM 0 HG3 GLU A 85 -1.620 12.911 -6.018 1.00 31.23 H new ATOM 1537 N GLY A 86 -5.063 12.755 -9.804 1.00 12.52 N ATOM 1538 CA GLY A 86 -5.641 12.404 -11.082 1.00 64.22 C ATOM 1539 C GLY A 86 -6.387 11.099 -11.010 1.00 60.35 C ATOM 1540 O GLY A 86 -7.472 11.017 -10.434 1.00 22.34 O ATOM 0 H GLY A 86 -5.471 13.578 -9.361 1.00 12.52 H new ATOM 0 HA2 GLY A 86 -6.318 13.194 -11.405 1.00 64.22 H new ATOM 0 HA3 GLY A 86 -4.853 12.333 -11.832 1.00 64.22 H new ATOM 1544 N ASN A 87 -5.786 10.082 -11.590 1.00 1.24 N ATOM 1545 CA ASN A 87 -6.356 8.736 -11.604 1.00 21.44 C ATOM 1546 C ASN A 87 -5.342 7.700 -11.095 1.00 4.41 C ATOM 1547 O ASN A 87 -5.456 6.510 -11.402 1.00 23.54 O ATOM 1548 CB ASN A 87 -6.813 8.381 -13.019 1.00 60.33 C ATOM 1549 CG ASN A 87 -8.321 8.475 -13.193 1.00 23.22 C ATOM 1550 OD1 ASN A 87 -8.969 7.511 -13.599 1.00 61.22 O ATOM 1551 ND2 ASN A 87 -8.892 9.637 -12.887 1.00 63.23 N ATOM 0 H ASN A 87 -4.888 10.157 -12.067 1.00 1.24 H new ATOM 0 HA ASN A 87 -7.216 8.720 -10.934 1.00 21.44 H new ATOM 0 HB2 ASN A 87 -6.328 9.049 -13.731 1.00 60.33 H new ATOM 0 HB3 ASN A 87 -6.487 7.369 -13.258 1.00 60.33 H new ATOM 0 HD21 ASN A 87 -9.901 9.751 -12.986 1.00 63.23 H new ATOM 0 HD22 ASN A 87 -8.321 10.414 -12.553 1.00 63.23 H new ATOM 1558 N LYS A 88 -4.345 8.158 -10.329 1.00 64.32 N ATOM 1559 CA LYS A 88 -3.308 7.264 -9.796 1.00 52.43 C ATOM 1560 C LYS A 88 -2.968 7.606 -8.344 1.00 52.45 C ATOM 1561 O LYS A 88 -3.113 8.754 -7.922 1.00 52.42 O ATOM 1562 CB LYS A 88 -2.037 7.357 -10.649 1.00 32.32 C ATOM 1563 CG LYS A 88 -2.269 7.136 -12.137 1.00 55.01 C ATOM 1564 CD LYS A 88 -1.707 5.801 -12.599 1.00 71.31 C ATOM 1565 CE LYS A 88 -2.708 5.040 -13.453 1.00 53.02 C ATOM 1566 NZ LYS A 88 -3.733 4.348 -12.623 1.00 72.34 N ATOM 0 H LYS A 88 -4.234 9.137 -10.065 1.00 64.32 H new ATOM 0 HA LYS A 88 -3.701 6.248 -9.830 1.00 52.43 H new ATOM 0 HB2 LYS A 88 -1.587 8.339 -10.504 1.00 32.32 H new ATOM 0 HB3 LYS A 88 -1.318 6.620 -10.291 1.00 32.32 H new ATOM 0 HG2 LYS A 88 -3.338 7.174 -12.349 1.00 55.01 H new ATOM 0 HG3 LYS A 88 -1.803 7.943 -12.702 1.00 55.01 H new ATOM 0 HD2 LYS A 88 -0.793 5.968 -13.169 1.00 71.31 H new ATOM 0 HD3 LYS A 88 -1.436 5.199 -11.731 1.00 71.31 H new ATOM 0 HE2 LYS A 88 -3.201 5.731 -14.137 1.00 53.02 H new ATOM 0 HE3 LYS A 88 -2.181 4.308 -14.064 1.00 53.02 H new ATOM 0 HZ1 LYS A 88 -4.366 3.799 -13.239 1.00 72.34 H new ATOM 0 HZ2 LYS A 88 -3.262 3.708 -11.952 1.00 72.34 H new ATOM 0 HZ3 LYS A 88 -4.288 5.053 -12.097 1.00 72.34 H new ATOM 1580 N LEU A 89 -2.499 6.606 -7.586 1.00 61.13 N ATOM 1581 CA LEU A 89 -2.129 6.824 -6.190 1.00 43.02 C ATOM 1582 C LEU A 89 -0.630 7.030 -6.046 1.00 44.33 C ATOM 1583 O LEU A 89 0.170 6.148 -6.380 1.00 32.12 O ATOM 1584 CB LEU A 89 -2.596 5.680 -5.292 1.00 42.03 C ATOM 1585 CG LEU A 89 -3.569 6.128 -4.205 1.00 14.45 C ATOM 1586 CD1 LEU A 89 -4.792 5.235 -4.159 1.00 0.51 C ATOM 1587 CD2 LEU A 89 -2.895 6.185 -2.846 1.00 0.44 C ATOM 0 H LEU A 89 -2.369 5.649 -7.916 1.00 61.13 H new ATOM 0 HA LEU A 89 -2.637 7.732 -5.865 1.00 43.02 H new ATOM 0 HB2 LEU A 89 -3.074 4.916 -5.906 1.00 42.03 H new ATOM 0 HB3 LEU A 89 -1.728 5.216 -4.825 1.00 42.03 H new ATOM 0 HG LEU A 89 -3.896 7.136 -4.459 1.00 14.45 H new ATOM 0 HD11 LEU A 89 -5.465 5.580 -3.375 1.00 0.51 H new ATOM 0 HD12 LEU A 89 -5.305 5.271 -5.120 1.00 0.51 H new ATOM 0 HD13 LEU A 89 -4.486 4.210 -3.949 1.00 0.51 H new ATOM 0 HD21 LEU A 89 -3.616 6.508 -2.095 1.00 0.44 H new ATOM 0 HD22 LEU A 89 -2.518 5.196 -2.585 1.00 0.44 H new ATOM 0 HD23 LEU A 89 -2.066 6.892 -2.880 1.00 0.44 H new ATOM 1599 N ILE A 90 -0.272 8.214 -5.557 1.00 20.31 N ATOM 1600 CA ILE A 90 1.118 8.604 -5.368 1.00 1.33 C ATOM 1601 C ILE A 90 1.600 8.349 -3.944 1.00 73.44 C ATOM 1602 O ILE A 90 0.979 8.791 -2.979 1.00 20.44 O ATOM 1603 CB ILE A 90 1.301 10.104 -5.690 1.00 4.10 C ATOM 1604 CG1 ILE A 90 0.873 10.399 -7.133 1.00 51.03 C ATOM 1605 CG2 ILE A 90 2.744 10.536 -5.462 1.00 1.00 C ATOM 1606 CD1 ILE A 90 1.353 9.369 -8.137 1.00 22.33 C ATOM 0 H ILE A 90 -0.942 8.931 -5.280 1.00 20.31 H new ATOM 0 HA ILE A 90 1.712 7.993 -6.048 1.00 1.33 H new ATOM 0 HB ILE A 90 0.665 10.677 -5.015 1.00 4.10 H new ATOM 0 HG12 ILE A 90 -0.215 10.454 -7.175 1.00 51.03 H new ATOM 0 HG13 ILE A 90 1.253 11.379 -7.422 1.00 51.03 H new ATOM 0 HG21 ILE A 90 2.848 11.596 -5.695 1.00 1.00 H new ATOM 0 HG22 ILE A 90 3.014 10.366 -4.420 1.00 1.00 H new ATOM 0 HG23 ILE A 90 3.404 9.956 -6.107 1.00 1.00 H new ATOM 0 HD11 ILE A 90 1.011 9.646 -9.134 1.00 22.33 H new ATOM 0 HD12 ILE A 90 2.442 9.329 -8.125 1.00 22.33 H new ATOM 0 HD13 ILE A 90 0.951 8.390 -7.875 1.00 22.33 H new ATOM 1618 N GLY A 91 2.733 7.661 -3.830 1.00 11.44 N ATOM 1619 CA GLY A 91 3.320 7.383 -2.535 1.00 34.30 C ATOM 1620 C GLY A 91 4.763 7.839 -2.496 1.00 1.33 C ATOM 1621 O GLY A 91 5.544 7.502 -3.389 1.00 53.25 O ATOM 0 H GLY A 91 3.258 7.289 -4.622 1.00 11.44 H new ATOM 0 HA2 GLY A 91 2.751 7.890 -1.755 1.00 34.30 H new ATOM 0 HA3 GLY A 91 3.265 6.315 -2.326 1.00 34.30 H new ATOM 1625 N LYS A 92 5.123 8.625 -1.485 1.00 23.42 N ATOM 1626 CA LYS A 92 6.486 9.133 -1.382 1.00 62.21 C ATOM 1627 C LYS A 92 6.986 9.176 0.057 1.00 60.24 C ATOM 1628 O LYS A 92 6.261 9.570 0.970 1.00 45.22 O ATOM 1629 CB LYS A 92 6.570 10.531 -1.992 1.00 51.24 C ATOM 1630 CG LYS A 92 7.180 10.553 -3.383 1.00 23.40 C ATOM 1631 CD LYS A 92 7.030 11.917 -4.034 1.00 20.43 C ATOM 1632 CE LYS A 92 5.768 11.998 -4.878 1.00 73.31 C ATOM 1633 NZ LYS A 92 5.962 12.845 -6.086 1.00 21.42 N ATOM 0 H LYS A 92 4.498 8.921 -0.735 1.00 23.42 H new ATOM 0 HA LYS A 92 7.126 8.443 -1.932 1.00 62.21 H new ATOM 0 HB2 LYS A 92 5.569 10.959 -2.037 1.00 51.24 H new ATOM 0 HB3 LYS A 92 7.161 11.170 -1.335 1.00 51.24 H new ATOM 0 HG2 LYS A 92 8.236 10.292 -3.323 1.00 23.40 H new ATOM 0 HG3 LYS A 92 6.700 9.797 -4.004 1.00 23.40 H new ATOM 0 HD2 LYS A 92 7.003 12.688 -3.264 1.00 20.43 H new ATOM 0 HD3 LYS A 92 7.900 12.121 -4.659 1.00 20.43 H new ATOM 0 HE2 LYS A 92 5.470 10.995 -5.182 1.00 73.31 H new ATOM 0 HE3 LYS A 92 4.955 12.404 -4.277 1.00 73.31 H new ATOM 0 HZ1 LYS A 92 5.079 12.875 -6.635 1.00 21.42 H new ATOM 0 HZ2 LYS A 92 6.222 13.809 -5.796 1.00 21.42 H new ATOM 0 HZ3 LYS A 92 6.721 12.444 -6.673 1.00 21.42 H new ATOM 1647 N PHE A 93 8.250 8.792 0.229 1.00 55.42 N ATOM 1648 CA PHE A 93 8.912 8.800 1.532 1.00 52.52 C ATOM 1649 C PHE A 93 10.385 9.145 1.331 1.00 0.02 C ATOM 1650 O PHE A 93 11.023 8.619 0.416 1.00 21.33 O ATOM 1651 CB PHE A 93 8.776 7.445 2.238 1.00 22.45 C ATOM 1652 CG PHE A 93 7.352 7.055 2.524 1.00 11.02 C ATOM 1653 CD1 PHE A 93 6.612 6.337 1.599 1.00 61.11 C ATOM 1654 CD2 PHE A 93 6.756 7.413 3.721 1.00 4.00 C ATOM 1655 CE1 PHE A 93 5.303 5.982 1.864 1.00 3.31 C ATOM 1656 CE2 PHE A 93 5.448 7.061 3.993 1.00 14.40 C ATOM 1657 CZ PHE A 93 4.720 6.344 3.062 1.00 43.22 C ATOM 0 H PHE A 93 8.845 8.466 -0.533 1.00 55.42 H new ATOM 0 HA PHE A 93 8.435 9.547 2.166 1.00 52.52 H new ATOM 0 HB2 PHE A 93 9.238 6.675 1.620 1.00 22.45 H new ATOM 0 HB3 PHE A 93 9.331 7.476 3.176 1.00 22.45 H new ATOM 0 HD1 PHE A 93 7.063 6.051 0.660 1.00 61.11 H new ATOM 0 HD2 PHE A 93 7.320 7.974 4.451 1.00 4.00 H new ATOM 0 HE1 PHE A 93 4.737 5.422 1.135 1.00 3.31 H new ATOM 0 HE2 PHE A 93 4.995 7.345 4.931 1.00 14.40 H new ATOM 0 HZ PHE A 93 3.697 6.068 3.271 1.00 43.22 H new ATOM 1667 N LYS A 94 10.917 10.051 2.149 1.00 20.41 N ATOM 1668 CA LYS A 94 12.317 10.470 1.993 1.00 73.43 C ATOM 1669 C LYS A 94 13.138 10.328 3.269 1.00 0.35 C ATOM 1670 O LYS A 94 12.651 10.583 4.373 1.00 11.12 O ATOM 1671 CB LYS A 94 12.394 11.926 1.524 1.00 3.53 C ATOM 1672 CG LYS A 94 11.297 12.324 0.553 1.00 3.51 C ATOM 1673 CD LYS A 94 10.134 12.996 1.269 1.00 21.40 C ATOM 1674 CE LYS A 94 8.793 12.444 0.807 1.00 74.22 C ATOM 1675 NZ LYS A 94 8.338 13.075 -0.462 1.00 44.32 N ATOM 0 H LYS A 94 10.416 10.504 2.913 1.00 20.41 H new ATOM 0 HA LYS A 94 12.743 9.800 1.247 1.00 73.43 H new ATOM 0 HB2 LYS A 94 12.348 12.580 2.395 1.00 3.53 H new ATOM 0 HB3 LYS A 94 13.362 12.093 1.051 1.00 3.53 H new ATOM 0 HG2 LYS A 94 11.703 13.001 -0.198 1.00 3.51 H new ATOM 0 HG3 LYS A 94 10.939 11.440 0.025 1.00 3.51 H new ATOM 0 HD2 LYS A 94 10.236 12.851 2.344 1.00 21.40 H new ATOM 0 HD3 LYS A 94 10.167 14.070 1.088 1.00 21.40 H new ATOM 0 HE2 LYS A 94 8.873 11.366 0.667 1.00 74.22 H new ATOM 0 HE3 LYS A 94 8.046 12.610 1.583 1.00 74.22 H new ATOM 0 HZ1 LYS A 94 7.309 12.957 -0.559 1.00 44.32 H new ATOM 0 HZ2 LYS A 94 8.571 14.089 -0.449 1.00 44.32 H new ATOM 0 HZ3 LYS A 94 8.816 12.621 -1.266 1.00 44.32 H new ATOM 1689 N ARG A 95 14.408 9.953 3.091 1.00 20.31 N ATOM 1690 CA ARG A 95 15.341 9.808 4.209 1.00 34.34 C ATOM 1691 C ARG A 95 15.610 11.167 4.858 1.00 4.43 C ATOM 1692 O ARG A 95 15.631 12.195 4.179 1.00 43.14 O ATOM 1693 CB ARG A 95 16.658 9.198 3.719 1.00 61.13 C ATOM 1694 CG ARG A 95 16.549 7.724 3.369 1.00 63.13 C ATOM 1695 CD ARG A 95 17.584 7.309 2.335 1.00 21.50 C ATOM 1696 NE ARG A 95 18.464 6.255 2.834 1.00 13.12 N ATOM 1697 CZ ARG A 95 19.631 6.487 3.443 1.00 2.33 C ATOM 1698 NH1 ARG A 95 20.074 7.733 3.607 1.00 45.44 N ATOM 1699 NH2 ARG A 95 20.359 5.470 3.892 1.00 1.10 N ATOM 0 H ARG A 95 14.814 9.744 2.179 1.00 20.31 H new ATOM 0 HA ARG A 95 14.894 9.146 4.950 1.00 34.34 H new ATOM 0 HB2 ARG A 95 17.000 9.747 2.842 1.00 61.13 H new ATOM 0 HB3 ARG A 95 17.417 9.325 4.490 1.00 61.13 H new ATOM 0 HG2 ARG A 95 16.677 7.126 4.271 1.00 63.13 H new ATOM 0 HG3 ARG A 95 15.550 7.514 2.987 1.00 63.13 H new ATOM 0 HD2 ARG A 95 17.078 6.962 1.434 1.00 21.50 H new ATOM 0 HD3 ARG A 95 18.181 8.176 2.052 1.00 21.50 H new ATOM 0 HE ARG A 95 18.171 5.286 2.710 1.00 13.12 H new ATOM 0 HH11 ARG A 95 19.521 8.520 3.267 1.00 45.44 H new ATOM 0 HH12 ARG A 95 20.966 7.900 4.073 1.00 45.44 H new ATOM 0 HH21 ARG A 95 20.027 4.513 3.772 1.00 1.10 H new ATOM 0 HH22 ARG A 95 21.250 5.646 4.357 1.00 1.10 H new ATOM 1713 N THR A 96 15.804 11.168 6.176 1.00 12.42 N ATOM 1714 CA THR A 96 16.059 12.406 6.916 1.00 71.44 C ATOM 1715 C THR A 96 17.550 12.782 6.947 1.00 43.04 C ATOM 1716 O THR A 96 17.916 13.808 7.523 1.00 55.51 O ATOM 1717 CB THR A 96 15.511 12.279 8.346 1.00 14.53 C ATOM 1718 OG1 THR A 96 15.322 13.555 8.938 1.00 23.42 O ATOM 1719 CG2 THR A 96 16.401 11.473 9.269 1.00 13.31 C ATOM 0 H THR A 96 15.790 10.328 6.754 1.00 12.42 H new ATOM 0 HA THR A 96 15.543 13.210 6.392 1.00 71.44 H new ATOM 0 HB THR A 96 14.563 11.753 8.234 1.00 14.53 H new ATOM 0 HG1 THR A 96 16.073 14.139 8.703 1.00 23.42 H new ATOM 0 HG21 THR A 96 15.950 11.426 10.260 1.00 13.31 H new ATOM 0 HG22 THR A 96 16.515 10.463 8.874 1.00 13.31 H new ATOM 0 HG23 THR A 96 17.379 11.948 9.338 1.00 13.31 H new ATOM 1727 N ASP A 97 18.407 11.955 6.341 1.00 52.55 N ATOM 1728 CA ASP A 97 19.846 12.221 6.326 1.00 20.54 C ATOM 1729 C ASP A 97 20.232 13.156 5.181 1.00 75.24 C ATOM 1730 O ASP A 97 20.772 14.238 5.415 1.00 61.44 O ATOM 1731 CB ASP A 97 20.631 10.910 6.223 1.00 0.20 C ATOM 1732 CG ASP A 97 20.262 9.933 7.322 1.00 24.51 C ATOM 1733 OD1 ASP A 97 20.685 10.148 8.477 1.00 60.22 O ATOM 1734 OD2 ASP A 97 19.544 8.955 7.027 1.00 61.23 O ATOM 0 H ASP A 97 18.130 11.101 5.857 1.00 52.55 H new ATOM 0 HA ASP A 97 20.100 12.716 7.263 1.00 20.54 H new ATOM 0 HB2 ASP A 97 20.442 10.451 5.253 1.00 0.20 H new ATOM 0 HB3 ASP A 97 21.699 11.123 6.272 1.00 0.20 H new ATOM 1739 N ASN A 98 19.960 12.736 3.944 1.00 54.01 N ATOM 1740 CA ASN A 98 20.292 13.552 2.769 1.00 64.15 C ATOM 1741 C ASN A 98 19.057 13.854 1.914 1.00 33.43 C ATOM 1742 O ASN A 98 19.166 14.531 0.889 1.00 60.31 O ATOM 1743 CB ASN A 98 21.362 12.868 1.903 1.00 55.15 C ATOM 1744 CG ASN A 98 21.928 11.611 2.537 1.00 41.12 C ATOM 1745 OD1 ASN A 98 22.772 11.679 3.429 1.00 42.33 O ATOM 1746 ND2 ASN A 98 21.460 10.456 2.080 1.00 12.13 N ATOM 0 H ASN A 98 19.515 11.844 3.728 1.00 54.01 H new ATOM 0 HA ASN A 98 20.687 14.495 3.146 1.00 64.15 H new ATOM 0 HB2 ASN A 98 20.930 12.616 0.934 1.00 55.15 H new ATOM 0 HB3 ASN A 98 22.174 13.571 1.717 1.00 55.15 H new ATOM 0 HD21 ASN A 98 21.801 9.577 2.470 1.00 12.13 H new ATOM 0 HD22 ASN A 98 20.760 10.447 1.338 1.00 12.13 H new ATOM 1753 N GLY A 99 17.884 13.365 2.337 1.00 14.42 N ATOM 1754 CA GLY A 99 16.666 13.617 1.590 1.00 60.44 C ATOM 1755 C GLY A 99 16.487 12.695 0.396 1.00 33.13 C ATOM 1756 O GLY A 99 15.984 13.129 -0.641 1.00 20.23 O ATOM 0 H GLY A 99 17.763 12.803 3.179 1.00 14.42 H new ATOM 0 HA2 GLY A 99 15.811 13.506 2.256 1.00 60.44 H new ATOM 0 HA3 GLY A 99 16.668 14.651 1.244 1.00 60.44 H new ATOM 1760 N ASN A 100 16.891 11.426 0.524 1.00 74.43 N ATOM 1761 CA ASN A 100 16.749 10.478 -0.584 1.00 44.31 C ATOM 1762 C ASN A 100 15.276 10.248 -0.888 1.00 43.34 C ATOM 1763 O ASN A 100 14.579 9.538 -0.159 1.00 1.23 O ATOM 1764 CB ASN A 100 17.421 9.141 -0.276 1.00 32.25 C ATOM 1765 CG ASN A 100 18.820 9.300 0.286 1.00 2.45 C ATOM 1766 OD1 ASN A 100 19.019 9.968 1.300 1.00 53.33 O ATOM 1767 ND2 ASN A 100 19.800 8.685 -0.367 1.00 24.11 N ATOM 0 H ASN A 100 17.311 11.038 1.368 1.00 74.43 H new ATOM 0 HA ASN A 100 17.243 10.913 -1.453 1.00 44.31 H new ATOM 0 HB2 ASN A 100 16.809 8.588 0.437 1.00 32.25 H new ATOM 0 HB3 ASN A 100 17.466 8.544 -1.187 1.00 32.25 H new ATOM 0 HD21 ASN A 100 20.760 8.757 -0.031 1.00 24.11 H new ATOM 0 HD22 ASN A 100 19.592 8.141 -1.204 1.00 24.11 H new ATOM 1774 N GLU A 101 14.812 10.876 -1.957 1.00 22.52 N ATOM 1775 CA GLU A 101 13.430 10.785 -2.375 1.00 32.12 C ATOM 1776 C GLU A 101 13.110 9.441 -3.008 1.00 22.24 C ATOM 1777 O GLU A 101 13.618 9.113 -4.083 1.00 42.32 O ATOM 1778 CB GLU A 101 13.113 11.903 -3.368 1.00 2.45 C ATOM 1779 CG GLU A 101 11.918 12.730 -2.960 1.00 1.02 C ATOM 1780 CD GLU A 101 10.605 12.006 -3.202 1.00 13.44 C ATOM 1781 OE1 GLU A 101 10.192 11.902 -4.377 1.00 64.13 O ATOM 1782 OE2 GLU A 101 9.994 11.537 -2.218 1.00 74.23 O ATOM 0 H GLU A 101 15.389 11.464 -2.558 1.00 22.52 H new ATOM 0 HA GLU A 101 12.813 10.888 -1.482 1.00 32.12 H new ATOM 0 HB2 GLU A 101 13.982 12.553 -3.465 1.00 2.45 H new ATOM 0 HB3 GLU A 101 12.929 11.468 -4.350 1.00 2.45 H new ATOM 0 HG2 GLU A 101 12.000 12.986 -1.904 1.00 1.02 H new ATOM 0 HG3 GLU A 101 11.921 13.667 -3.516 1.00 1.02 H new ATOM 1789 N LEU A 102 12.230 8.688 -2.359 1.00 41.21 N ATOM 1790 CA LEU A 102 11.802 7.404 -2.887 1.00 2.00 C ATOM 1791 C LEU A 102 10.417 7.555 -3.475 1.00 35.24 C ATOM 1792 O LEU A 102 9.623 8.378 -3.008 1.00 65.52 O ATOM 1793 CB LEU A 102 11.776 6.320 -1.813 1.00 20.22 C ATOM 1794 CG LEU A 102 11.455 4.911 -2.329 1.00 63.55 C ATOM 1795 CD1 LEU A 102 12.690 4.268 -2.941 1.00 24.43 C ATOM 1796 CD2 LEU A 102 10.896 4.040 -1.216 1.00 61.14 C ATOM 0 H LEU A 102 11.802 8.945 -1.470 1.00 41.21 H new ATOM 0 HA LEU A 102 12.519 7.097 -3.649 1.00 2.00 H new ATOM 0 HB2 LEU A 102 12.746 6.297 -1.316 1.00 20.22 H new ATOM 0 HB3 LEU A 102 11.037 6.593 -1.059 1.00 20.22 H new ATOM 0 HG LEU A 102 10.694 5.001 -3.105 1.00 63.55 H new ATOM 0 HD11 LEU A 102 12.440 3.270 -3.300 1.00 24.43 H new ATOM 0 HD12 LEU A 102 13.042 4.876 -3.774 1.00 24.43 H new ATOM 0 HD13 LEU A 102 13.474 4.197 -2.187 1.00 24.43 H new ATOM 0 HD21 LEU A 102 10.676 3.046 -1.607 1.00 61.14 H new ATOM 0 HD22 LEU A 102 11.629 3.960 -0.413 1.00 61.14 H new ATOM 0 HD23 LEU A 102 9.981 4.488 -0.828 1.00 61.14 H new ATOM 1808 N ASN A 103 10.124 6.773 -4.499 1.00 22.34 N ATOM 1809 CA ASN A 103 8.826 6.853 -5.138 1.00 0.05 C ATOM 1810 C ASN A 103 8.119 5.503 -5.113 1.00 32.40 C ATOM 1811 O ASN A 103 8.737 4.466 -5.343 1.00 33.12 O ATOM 1812 CB ASN A 103 8.964 7.376 -6.578 1.00 52.15 C ATOM 1813 CG ASN A 103 10.296 8.076 -6.826 1.00 74.21 C ATOM 1814 OD1 ASN A 103 11.069 7.671 -7.693 1.00 52.44 O ATOM 1815 ND2 ASN A 103 10.574 9.129 -6.060 1.00 22.52 N ATOM 0 H ASN A 103 10.760 6.084 -4.901 1.00 22.34 H new ATOM 0 HA ASN A 103 8.214 7.558 -4.576 1.00 0.05 H new ATOM 0 HB2 ASN A 103 8.861 6.543 -7.274 1.00 52.15 H new ATOM 0 HB3 ASN A 103 8.150 8.069 -6.788 1.00 52.15 H new ATOM 0 HD21 ASN A 103 11.454 9.630 -6.182 1.00 22.52 H new ATOM 0 HD22 ASN A 103 9.907 9.435 -5.351 1.00 22.52 H new ATOM 1822 N THR A 104 6.820 5.522 -4.817 1.00 21.42 N ATOM 1823 CA THR A 104 6.031 4.295 -4.752 1.00 25.23 C ATOM 1824 C THR A 104 4.617 4.515 -5.288 1.00 51.23 C ATOM 1825 O THR A 104 4.022 5.574 -5.084 1.00 61.42 O ATOM 1826 CB THR A 104 5.981 3.769 -3.311 1.00 42.52 C ATOM 1827 OG1 THR A 104 5.336 2.509 -3.253 1.00 23.22 O ATOM 1828 CG2 THR A 104 5.263 4.688 -2.348 1.00 24.22 C ATOM 0 H THR A 104 6.293 6.373 -4.619 1.00 21.42 H new ATOM 0 HA THR A 104 6.516 3.550 -5.383 1.00 25.23 H new ATOM 0 HB THR A 104 7.025 3.698 -3.007 1.00 42.52 H new ATOM 0 HG1 THR A 104 5.897 1.877 -2.758 1.00 23.22 H new ATOM 0 HG21 THR A 104 5.270 4.247 -1.351 1.00 24.22 H new ATOM 0 HG22 THR A 104 5.768 5.654 -2.321 1.00 24.22 H new ATOM 0 HG23 THR A 104 4.233 4.826 -2.677 1.00 24.22 H new ATOM 1836 N VAL A 105 4.093 3.505 -5.979 1.00 20.15 N ATOM 1837 CA VAL A 105 2.742 3.579 -6.555 1.00 20.20 C ATOM 1838 C VAL A 105 1.902 2.362 -6.157 1.00 42.35 C ATOM 1839 O VAL A 105 2.418 1.244 -6.091 1.00 42.25 O ATOM 1840 CB VAL A 105 2.782 3.676 -8.097 1.00 0.21 C ATOM 1841 CG1 VAL A 105 1.534 4.373 -8.621 1.00 73.52 C ATOM 1842 CG2 VAL A 105 4.038 4.398 -8.567 1.00 34.11 C ATOM 0 H VAL A 105 4.578 2.625 -6.156 1.00 20.15 H new ATOM 0 HA VAL A 105 2.284 4.484 -6.155 1.00 20.20 H new ATOM 0 HB VAL A 105 2.806 2.663 -8.499 1.00 0.21 H new ATOM 0 HG11 VAL A 105 1.580 4.432 -9.708 1.00 73.52 H new ATOM 0 HG12 VAL A 105 0.650 3.808 -8.325 1.00 73.52 H new ATOM 0 HG13 VAL A 105 1.477 5.379 -8.205 1.00 73.52 H new ATOM 0 HG21 VAL A 105 4.041 4.452 -9.656 1.00 34.11 H new ATOM 0 HG22 VAL A 105 4.054 5.406 -8.153 1.00 34.11 H new ATOM 0 HG23 VAL A 105 4.919 3.853 -8.229 1.00 34.11 H new ATOM 1852 N ARG A 106 0.606 2.582 -5.888 1.00 13.20 N ATOM 1853 CA ARG A 106 -0.287 1.486 -5.491 1.00 34.51 C ATOM 1854 C ARG A 106 -1.340 1.199 -6.560 1.00 60.22 C ATOM 1855 O ARG A 106 -2.153 2.069 -6.877 1.00 12.12 O ATOM 1856 CB ARG A 106 -0.994 1.827 -4.176 1.00 32.31 C ATOM 1857 CG ARG A 106 -0.513 1.017 -2.986 1.00 51.51 C ATOM 1858 CD ARG A 106 -1.676 0.576 -2.113 1.00 54.04 C ATOM 1859 NE ARG A 106 -1.371 0.685 -0.687 1.00 40.21 N ATOM 1860 CZ ARG A 106 -2.220 0.353 0.287 1.00 73.12 C ATOM 1861 NH1 ARG A 106 -3.428 -0.130 -0.003 1.00 4.01 N ATOM 1862 NH2 ARG A 106 -1.859 0.504 1.556 1.00 12.20 N ATOM 0 H ARG A 106 0.158 3.497 -5.937 1.00 13.20 H new ATOM 0 HA ARG A 106 0.331 0.597 -5.364 1.00 34.51 H new ATOM 0 HB2 ARG A 106 -0.851 2.886 -3.963 1.00 32.31 H new ATOM 0 HB3 ARG A 106 -2.065 1.669 -4.300 1.00 32.31 H new ATOM 0 HG2 ARG A 106 0.034 0.142 -3.336 1.00 51.51 H new ATOM 0 HG3 ARG A 106 0.183 1.613 -2.395 1.00 51.51 H new ATOM 0 HD2 ARG A 106 -2.551 1.184 -2.343 1.00 54.04 H new ATOM 0 HD3 ARG A 106 -1.934 -0.456 -2.349 1.00 54.04 H new ATOM 0 HE ARG A 106 -0.452 1.037 -0.420 1.00 40.21 H new ATOM 0 HH11 ARG A 106 -3.710 -0.248 -0.976 1.00 4.01 H new ATOM 0 HH12 ARG A 106 -4.071 -0.381 0.748 1.00 4.01 H new ATOM 0 HH21 ARG A 106 -0.935 0.873 1.783 1.00 12.20 H new ATOM 0 HH22 ARG A 106 -2.505 0.251 2.304 1.00 12.20 H new ATOM 1876 N GLU A 107 -1.338 -0.024 -7.108 1.00 44.54 N ATOM 1877 CA GLU A 107 -2.320 -0.391 -8.128 1.00 24.13 C ATOM 1878 C GLU A 107 -2.703 -1.866 -8.027 1.00 22.43 C ATOM 1879 O GLU A 107 -1.966 -2.670 -7.456 1.00 22.14 O ATOM 1880 CB GLU A 107 -1.770 -0.097 -9.525 1.00 31.42 C ATOM 1881 CG GLU A 107 -2.854 0.097 -10.576 1.00 32.33 C ATOM 1882 CD GLU A 107 -3.364 1.527 -10.645 1.00 55.31 C ATOM 1883 OE1 GLU A 107 -2.546 2.444 -10.876 1.00 42.53 O ATOM 1884 OE2 GLU A 107 -4.583 1.731 -10.472 1.00 4.10 O ATOM 0 H GLU A 107 -0.678 -0.762 -6.865 1.00 44.54 H new ATOM 0 HA GLU A 107 -3.214 0.208 -7.956 1.00 24.13 H new ATOM 0 HB2 GLU A 107 -1.152 0.800 -9.482 1.00 31.42 H new ATOM 0 HB3 GLU A 107 -1.121 -0.917 -9.831 1.00 31.42 H new ATOM 0 HG2 GLU A 107 -2.462 -0.191 -11.552 1.00 32.33 H new ATOM 0 HG3 GLU A 107 -3.688 -0.570 -10.358 1.00 32.33 H new ATOM 1891 N ILE A 108 -3.851 -2.218 -8.607 1.00 13.10 N ATOM 1892 CA ILE A 108 -4.307 -3.600 -8.613 1.00 44.22 C ATOM 1893 C ILE A 108 -4.425 -4.104 -10.049 1.00 5.23 C ATOM 1894 O ILE A 108 -5.009 -3.438 -10.906 1.00 41.25 O ATOM 1895 CB ILE A 108 -5.655 -3.806 -7.882 1.00 35.41 C ATOM 1896 CG1 ILE A 108 -5.861 -5.302 -7.640 1.00 34.13 C ATOM 1897 CG2 ILE A 108 -6.814 -3.215 -8.677 1.00 11.13 C ATOM 1898 CD1 ILE A 108 -6.594 -5.621 -6.364 1.00 52.04 C ATOM 0 H ILE A 108 -4.477 -1.564 -9.076 1.00 13.10 H new ATOM 0 HA ILE A 108 -3.558 -4.173 -8.066 1.00 44.22 H new ATOM 0 HB ILE A 108 -5.628 -3.283 -6.926 1.00 35.41 H new ATOM 0 HG12 ILE A 108 -6.414 -5.723 -8.480 1.00 34.13 H new ATOM 0 HG13 ILE A 108 -4.888 -5.794 -7.621 1.00 34.13 H new ATOM 0 HG21 ILE A 108 -7.746 -3.377 -8.136 1.00 11.13 H new ATOM 0 HG22 ILE A 108 -6.654 -2.145 -8.813 1.00 11.13 H new ATOM 0 HG23 ILE A 108 -6.871 -3.700 -9.652 1.00 11.13 H new ATOM 0 HD11 ILE A 108 -6.700 -6.701 -6.266 1.00 52.04 H new ATOM 0 HD12 ILE A 108 -6.032 -5.233 -5.515 1.00 52.04 H new ATOM 0 HD13 ILE A 108 -7.582 -5.160 -6.387 1.00 52.04 H new ATOM 1910 N ILE A 109 -3.863 -5.282 -10.300 1.00 5.03 N ATOM 1911 CA ILE A 109 -3.898 -5.887 -11.625 1.00 60.42 C ATOM 1912 C ILE A 109 -4.662 -7.200 -11.595 1.00 52.15 C ATOM 1913 O ILE A 109 -4.517 -7.980 -10.655 1.00 62.33 O ATOM 1914 CB ILE A 109 -2.484 -6.142 -12.174 1.00 4.41 C ATOM 1915 CG1 ILE A 109 -1.637 -6.919 -11.156 1.00 44.01 C ATOM 1916 CG2 ILE A 109 -1.830 -4.823 -12.556 1.00 51.21 C ATOM 1917 CD1 ILE A 109 -0.149 -6.651 -11.252 1.00 20.33 C ATOM 0 H ILE A 109 -3.375 -5.839 -9.598 1.00 5.03 H new ATOM 0 HA ILE A 109 -4.404 -5.180 -12.283 1.00 60.42 H new ATOM 0 HB ILE A 109 -2.557 -6.757 -13.071 1.00 4.41 H new ATOM 0 HG12 ILE A 109 -1.976 -6.667 -10.151 1.00 44.01 H new ATOM 0 HG13 ILE A 109 -1.812 -7.986 -11.294 1.00 44.01 H new ATOM 0 HG21 ILE A 109 -0.829 -5.012 -12.944 1.00 51.21 H new ATOM 0 HG22 ILE A 109 -2.428 -4.328 -13.321 1.00 51.21 H new ATOM 0 HG23 ILE A 109 -1.763 -4.182 -11.677 1.00 51.21 H new ATOM 0 HD11 ILE A 109 0.376 -7.239 -10.499 1.00 20.33 H new ATOM 0 HD12 ILE A 109 0.208 -6.930 -12.243 1.00 20.33 H new ATOM 0 HD13 ILE A 109 0.041 -5.591 -11.083 1.00 20.33 H new ATOM 1929 N GLY A 110 -5.472 -7.440 -12.624 1.00 40.35 N ATOM 1930 CA GLY A 110 -6.251 -8.670 -12.686 1.00 2.25 C ATOM 1931 C GLY A 110 -6.988 -8.945 -11.396 1.00 53.53 C ATOM 1932 O GLY A 110 -8.001 -8.309 -11.095 1.00 42.33 O ATOM 0 H GLY A 110 -5.604 -6.808 -13.414 1.00 40.35 H new ATOM 0 HA2 GLY A 110 -6.968 -8.603 -13.505 1.00 2.25 H new ATOM 0 HA3 GLY A 110 -5.589 -9.506 -12.909 1.00 2.25 H new ATOM 1936 N ASP A 111 -6.467 -9.893 -10.638 1.00 13.12 N ATOM 1937 CA ASP A 111 -7.049 -10.275 -9.358 1.00 4.21 C ATOM 1938 C ASP A 111 -6.004 -10.246 -8.229 1.00 14.11 C ATOM 1939 O ASP A 111 -6.228 -10.808 -7.154 1.00 4.43 O ATOM 1940 CB ASP A 111 -7.674 -11.663 -9.485 1.00 3.13 C ATOM 1941 CG ASP A 111 -8.983 -11.778 -8.729 1.00 20.42 C ATOM 1942 OD1 ASP A 111 -10.017 -11.325 -9.262 1.00 54.32 O ATOM 1943 OD2 ASP A 111 -8.976 -12.320 -7.605 1.00 22.43 O ATOM 0 H ASP A 111 -5.631 -10.420 -10.889 1.00 13.12 H new ATOM 0 HA ASP A 111 -7.821 -9.551 -9.095 1.00 4.21 H new ATOM 0 HB2 ASP A 111 -7.845 -11.887 -10.538 1.00 3.13 H new ATOM 0 HB3 ASP A 111 -6.974 -12.410 -9.110 1.00 3.13 H new ATOM 1948 N GLU A 112 -4.857 -9.600 -8.483 1.00 11.22 N ATOM 1949 CA GLU A 112 -3.777 -9.512 -7.503 1.00 2.02 C ATOM 1950 C GLU A 112 -3.392 -8.056 -7.228 1.00 34.30 C ATOM 1951 O GLU A 112 -3.491 -7.205 -8.113 1.00 53.14 O ATOM 1952 CB GLU A 112 -2.555 -10.272 -8.019 1.00 62.51 C ATOM 1953 CG GLU A 112 -2.901 -11.551 -8.773 1.00 21.30 C ATOM 1954 CD GLU A 112 -3.418 -11.309 -10.182 1.00 44.23 C ATOM 1955 OE1 GLU A 112 -2.940 -10.365 -10.846 1.00 34.22 O ATOM 1956 OE2 GLU A 112 -4.304 -12.070 -10.624 1.00 53.22 O ATOM 0 H GLU A 112 -4.657 -9.130 -9.366 1.00 11.22 H new ATOM 0 HA GLU A 112 -4.128 -9.955 -6.571 1.00 2.02 H new ATOM 0 HB2 GLU A 112 -1.982 -9.617 -8.676 1.00 62.51 H new ATOM 0 HB3 GLU A 112 -1.911 -10.521 -7.176 1.00 62.51 H new ATOM 0 HG2 GLU A 112 -2.014 -12.183 -8.824 1.00 21.30 H new ATOM 0 HG3 GLU A 112 -3.653 -12.102 -8.209 1.00 21.30 H new ATOM 1963 N LEU A 113 -2.937 -7.778 -6.003 1.00 43.42 N ATOM 1964 CA LEU A 113 -2.527 -6.424 -5.622 1.00 5.40 C ATOM 1965 C LEU A 113 -1.043 -6.220 -5.841 1.00 43.01 C ATOM 1966 O LEU A 113 -0.245 -7.144 -5.666 1.00 2.14 O ATOM 1967 CB LEU A 113 -2.854 -6.151 -4.154 1.00 4.00 C ATOM 1968 CG LEU A 113 -2.471 -4.752 -3.654 1.00 4.02 C ATOM 1969 CD1 LEU A 113 -3.384 -3.692 -4.254 1.00 0.24 C ATOM 1970 CD2 LEU A 113 -2.512 -4.697 -2.134 1.00 24.50 C ATOM 0 H LEU A 113 -2.843 -8.471 -5.260 1.00 43.42 H new ATOM 0 HA LEU A 113 -3.080 -5.729 -6.254 1.00 5.40 H new ATOM 0 HB2 LEU A 113 -3.924 -6.294 -4.003 1.00 4.00 H new ATOM 0 HB3 LEU A 113 -2.343 -6.892 -3.540 1.00 4.00 H new ATOM 0 HG LEU A 113 -1.452 -4.543 -3.978 1.00 4.02 H new ATOM 0 HD11 LEU A 113 -3.092 -2.709 -3.884 1.00 0.24 H new ATOM 0 HD12 LEU A 113 -3.299 -3.711 -5.340 1.00 0.24 H new ATOM 0 HD13 LEU A 113 -4.416 -3.896 -3.967 1.00 0.24 H new ATOM 0 HD21 LEU A 113 -2.237 -3.697 -1.799 1.00 24.50 H new ATOM 0 HD22 LEU A 113 -3.519 -4.932 -1.788 1.00 24.50 H new ATOM 0 HD23 LEU A 113 -1.809 -5.423 -1.725 1.00 24.50 H new ATOM 1982 N VAL A 114 -0.675 -5.000 -6.221 1.00 1.13 N ATOM 1983 CA VAL A 114 0.709 -4.681 -6.458 1.00 14.23 C ATOM 1984 C VAL A 114 1.114 -3.326 -5.896 1.00 13.24 C ATOM 1985 O VAL A 114 0.315 -2.389 -5.812 1.00 62.34 O ATOM 1986 CB VAL A 114 1.046 -4.697 -7.946 1.00 53.42 C ATOM 1987 CG1 VAL A 114 1.328 -6.114 -8.414 1.00 5.02 C ATOM 1988 CG2 VAL A 114 -0.043 -4.057 -8.776 1.00 54.41 C ATOM 0 H VAL A 114 -1.322 -4.225 -6.368 1.00 1.13 H new ATOM 0 HA VAL A 114 1.269 -5.458 -5.937 1.00 14.23 H new ATOM 0 HB VAL A 114 1.948 -4.101 -8.087 1.00 53.42 H new ATOM 0 HG11 VAL A 114 1.566 -6.105 -9.478 1.00 5.02 H new ATOM 0 HG12 VAL A 114 2.172 -6.520 -7.856 1.00 5.02 H new ATOM 0 HG13 VAL A 114 0.448 -6.735 -8.244 1.00 5.02 H new ATOM 0 HG21 VAL A 114 0.236 -4.089 -9.829 1.00 54.41 H new ATOM 0 HG22 VAL A 114 -0.977 -4.600 -8.631 1.00 54.41 H new ATOM 0 HG23 VAL A 114 -0.174 -3.020 -8.467 1.00 54.41 H new ATOM 1998 N GLN A 115 2.387 -3.248 -5.539 1.00 11.00 N ATOM 1999 CA GLN A 115 2.994 -2.036 -5.003 1.00 51.34 C ATOM 2000 C GLN A 115 4.398 -1.872 -5.589 1.00 4.24 C ATOM 2001 O GLN A 115 5.320 -2.602 -5.216 1.00 1.45 O ATOM 2002 CB GLN A 115 3.054 -2.107 -3.476 1.00 41.14 C ATOM 2003 CG GLN A 115 3.631 -0.861 -2.831 1.00 43.52 C ATOM 2004 CD GLN A 115 2.880 -0.453 -1.581 1.00 11.10 C ATOM 2005 OE1 GLN A 115 2.954 -1.121 -0.549 1.00 2.40 O ATOM 2006 NE2 GLN A 115 2.149 0.647 -1.668 1.00 40.24 N ATOM 0 H GLN A 115 3.036 -4.032 -5.613 1.00 11.00 H new ATOM 0 HA GLN A 115 2.389 -1.173 -5.280 1.00 51.34 H new ATOM 0 HB2 GLN A 115 2.049 -2.274 -3.089 1.00 41.14 H new ATOM 0 HB3 GLN A 115 3.655 -2.968 -3.184 1.00 41.14 H new ATOM 0 HG2 GLN A 115 4.677 -1.037 -2.581 1.00 43.52 H new ATOM 0 HG3 GLN A 115 3.608 -0.041 -3.548 1.00 43.52 H new ATOM 0 HE21 GLN A 115 2.117 1.170 -2.543 1.00 40.24 H new ATOM 0 HE22 GLN A 115 1.618 0.972 -0.860 1.00 40.24 H new ATOM 2015 N THR A 116 4.552 -0.935 -6.522 1.00 62.11 N ATOM 2016 CA THR A 116 5.842 -0.708 -7.171 1.00 35.22 C ATOM 2017 C THR A 116 6.613 0.440 -6.519 1.00 51.32 C ATOM 2018 O THR A 116 6.078 1.535 -6.337 1.00 61.55 O ATOM 2019 CB THR A 116 5.639 -0.418 -8.664 1.00 32.14 C ATOM 2020 OG1 THR A 116 5.171 -1.574 -9.339 1.00 12.40 O ATOM 2021 CG2 THR A 116 6.899 0.040 -9.369 1.00 14.34 C ATOM 0 H THR A 116 3.803 -0.323 -6.845 1.00 62.11 H new ATOM 0 HA THR A 116 6.433 -1.616 -7.052 1.00 35.22 H new ATOM 0 HB THR A 116 4.909 0.390 -8.700 1.00 32.14 H new ATOM 0 HG1 THR A 116 5.046 -1.370 -10.289 1.00 12.40 H new ATOM 0 HG21 THR A 116 6.680 0.226 -10.420 1.00 14.34 H new ATOM 0 HG22 THR A 116 7.262 0.957 -8.906 1.00 14.34 H new ATOM 0 HG23 THR A 116 7.663 -0.734 -9.289 1.00 14.34 H new ATOM 2029 N TYR A 117 7.884 0.181 -6.201 1.00 33.44 N ATOM 2030 CA TYR A 117 8.756 1.189 -5.602 1.00 20.44 C ATOM 2031 C TYR A 117 9.896 1.532 -6.555 1.00 14.33 C ATOM 2032 O TYR A 117 10.417 0.659 -7.254 1.00 51.24 O ATOM 2033 CB TYR A 117 9.370 0.706 -4.283 1.00 72.24 C ATOM 2034 CG TYR A 117 8.379 0.317 -3.208 1.00 71.41 C ATOM 2035 CD1 TYR A 117 7.846 -0.965 -3.154 1.00 32.30 C ATOM 2036 CD2 TYR A 117 8.001 1.226 -2.229 1.00 54.33 C ATOM 2037 CE1 TYR A 117 6.959 -1.327 -2.158 1.00 32.12 C ATOM 2038 CE2 TYR A 117 7.120 0.871 -1.227 1.00 31.21 C ATOM 2039 CZ TYR A 117 6.601 -0.406 -1.196 1.00 23.30 C ATOM 2040 OH TYR A 117 5.728 -0.768 -0.194 1.00 42.41 O ATOM 0 H TYR A 117 8.332 -0.723 -6.350 1.00 33.44 H new ATOM 0 HA TYR A 117 8.137 2.065 -5.406 1.00 20.44 H new ATOM 0 HB2 TYR A 117 10.008 -0.152 -4.492 1.00 72.24 H new ATOM 0 HB3 TYR A 117 10.014 1.494 -3.892 1.00 72.24 H new ATOM 0 HD1 TYR A 117 8.129 -1.690 -3.902 1.00 32.30 H new ATOM 0 HD2 TYR A 117 8.403 2.228 -2.252 1.00 54.33 H new ATOM 0 HE1 TYR A 117 6.548 -2.326 -2.133 1.00 32.12 H new ATOM 0 HE2 TYR A 117 6.839 1.590 -0.472 1.00 31.21 H new ATOM 0 HH TYR A 117 5.064 -1.395 -0.550 1.00 42.41 H new ATOM 2050 N VAL A 118 10.289 2.800 -6.558 1.00 74.42 N ATOM 2051 CA VAL A 118 11.388 3.271 -7.403 1.00 62.15 C ATOM 2052 C VAL A 118 12.487 3.910 -6.546 1.00 44.02 C ATOM 2053 O VAL A 118 12.251 4.923 -5.882 1.00 20.14 O ATOM 2054 CB VAL A 118 10.919 4.285 -8.474 1.00 22.43 C ATOM 2055 CG1 VAL A 118 11.587 3.979 -9.807 1.00 53.11 C ATOM 2056 CG2 VAL A 118 9.403 4.272 -8.628 1.00 42.23 C ATOM 0 H VAL A 118 9.863 3.526 -5.983 1.00 74.42 H new ATOM 0 HA VAL A 118 11.781 2.396 -7.921 1.00 62.15 H new ATOM 0 HB VAL A 118 11.211 5.283 -8.145 1.00 22.43 H new ATOM 0 HG11 VAL A 118 11.252 4.697 -10.555 1.00 53.11 H new ATOM 0 HG12 VAL A 118 12.669 4.049 -9.696 1.00 53.11 H new ATOM 0 HG13 VAL A 118 11.319 2.971 -10.125 1.00 53.11 H new ATOM 0 HG21 VAL A 118 9.108 4.996 -9.388 1.00 42.23 H new ATOM 0 HG22 VAL A 118 9.076 3.277 -8.929 1.00 42.23 H new ATOM 0 HG23 VAL A 118 8.938 4.534 -7.678 1.00 42.23 H new ATOM 2066 N TYR A 119 13.682 3.302 -6.550 1.00 3.24 N ATOM 2067 CA TYR A 119 14.814 3.800 -5.759 1.00 63.11 C ATOM 2068 C TYR A 119 16.076 3.951 -6.611 1.00 63.42 C ATOM 2069 O TYR A 119 16.707 2.960 -6.977 1.00 21.25 O ATOM 2070 CB TYR A 119 15.095 2.848 -4.583 1.00 44.42 C ATOM 2071 CG TYR A 119 16.155 3.337 -3.607 1.00 55.04 C ATOM 2072 CD1 TYR A 119 16.002 4.539 -2.916 1.00 42.53 C ATOM 2073 CD2 TYR A 119 17.304 2.585 -3.366 1.00 12.04 C ATOM 2074 CE1 TYR A 119 16.962 4.978 -2.019 1.00 25.40 C ATOM 2075 CE2 TYR A 119 18.267 3.015 -2.470 1.00 63.42 C ATOM 2076 CZ TYR A 119 18.091 4.212 -1.799 1.00 34.43 C ATOM 2077 OH TYR A 119 19.046 4.644 -0.906 1.00 61.11 O ATOM 0 H TYR A 119 13.889 2.464 -7.093 1.00 3.24 H new ATOM 0 HA TYR A 119 14.543 4.785 -5.379 1.00 63.11 H new ATOM 0 HB2 TYR A 119 14.166 2.684 -4.037 1.00 44.42 H new ATOM 0 HB3 TYR A 119 15.406 1.882 -4.982 1.00 44.42 H new ATOM 0 HD1 TYR A 119 15.119 5.138 -3.083 1.00 42.53 H new ATOM 0 HD2 TYR A 119 17.445 1.650 -3.888 1.00 12.04 H new ATOM 0 HE1 TYR A 119 16.829 5.913 -1.495 1.00 25.40 H new ATOM 0 HE2 TYR A 119 19.151 2.420 -2.296 1.00 63.42 H new ATOM 0 HH TYR A 119 19.776 3.991 -0.866 1.00 61.11 H new ATOM 2087 N GLU A 120 16.445 5.199 -6.904 1.00 75.32 N ATOM 2088 CA GLU A 120 17.645 5.502 -7.691 1.00 60.12 C ATOM 2089 C GLU A 120 17.684 4.729 -9.013 1.00 55.22 C ATOM 2090 O GLU A 120 18.630 3.986 -9.284 1.00 34.55 O ATOM 2091 CB GLU A 120 18.902 5.202 -6.865 1.00 12.03 C ATOM 2092 CG GLU A 120 19.138 6.190 -5.731 1.00 34.31 C ATOM 2093 CD GLU A 120 19.794 7.481 -6.197 1.00 12.43 C ATOM 2094 OE1 GLU A 120 19.430 7.979 -7.286 1.00 65.54 O ATOM 2095 OE2 GLU A 120 20.671 7.996 -5.471 1.00 2.14 O ATOM 0 H GLU A 120 15.925 6.024 -6.605 1.00 75.32 H new ATOM 0 HA GLU A 120 17.614 6.563 -7.939 1.00 60.12 H new ATOM 0 HB2 GLU A 120 18.822 4.198 -6.449 1.00 12.03 H new ATOM 0 HB3 GLU A 120 19.769 5.206 -7.525 1.00 12.03 H new ATOM 0 HG2 GLU A 120 18.185 6.424 -5.255 1.00 34.31 H new ATOM 0 HG3 GLU A 120 19.766 5.722 -4.973 1.00 34.31 H new ATOM 2102 N GLY A 121 16.657 4.920 -9.838 1.00 2.31 N ATOM 2103 CA GLY A 121 16.596 4.247 -11.128 1.00 60.42 C ATOM 2104 C GLY A 121 16.348 2.753 -11.013 1.00 63.33 C ATOM 2105 O GLY A 121 16.730 1.990 -11.901 1.00 25.31 O ATOM 0 H GLY A 121 15.864 5.529 -9.637 1.00 2.31 H new ATOM 0 HA2 GLY A 121 15.803 4.695 -11.727 1.00 60.42 H new ATOM 0 HA3 GLY A 121 17.532 4.413 -11.662 1.00 60.42 H new ATOM 2109 N VAL A 122 15.706 2.334 -9.923 1.00 64.25 N ATOM 2110 CA VAL A 122 15.403 0.927 -9.701 1.00 73.12 C ATOM 2111 C VAL A 122 13.922 0.755 -9.386 1.00 72.41 C ATOM 2112 O VAL A 122 13.442 1.224 -8.354 1.00 60.51 O ATOM 2113 CB VAL A 122 16.259 0.338 -8.555 1.00 72.45 C ATOM 2114 CG1 VAL A 122 15.711 -1.001 -8.088 1.00 42.44 C ATOM 2115 CG2 VAL A 122 17.709 0.202 -8.997 1.00 52.32 C ATOM 0 H VAL A 122 15.386 2.954 -9.179 1.00 64.25 H new ATOM 0 HA VAL A 122 15.645 0.384 -10.615 1.00 73.12 H new ATOM 0 HB VAL A 122 16.214 1.025 -7.710 1.00 72.45 H new ATOM 0 HG11 VAL A 122 16.335 -1.388 -7.282 1.00 42.44 H new ATOM 0 HG12 VAL A 122 14.691 -0.871 -7.727 1.00 42.44 H new ATOM 0 HG13 VAL A 122 15.714 -1.705 -8.920 1.00 42.44 H new ATOM 0 HG21 VAL A 122 18.301 -0.214 -8.181 1.00 52.32 H new ATOM 0 HG22 VAL A 122 17.766 -0.461 -9.861 1.00 52.32 H new ATOM 0 HG23 VAL A 122 18.101 1.183 -9.266 1.00 52.32 H new ATOM 2125 N GLU A 123 13.201 0.098 -10.291 1.00 34.40 N ATOM 2126 CA GLU A 123 11.770 -0.120 -10.124 1.00 3.04 C ATOM 2127 C GLU A 123 11.466 -1.570 -9.744 1.00 64.34 C ATOM 2128 O GLU A 123 11.430 -2.459 -10.600 1.00 64.33 O ATOM 2129 CB GLU A 123 11.034 0.268 -11.408 1.00 24.20 C ATOM 2130 CG GLU A 123 9.519 0.231 -11.283 1.00 63.23 C ATOM 2131 CD GLU A 123 8.895 -0.898 -12.079 1.00 73.42 C ATOM 2132 OE1 GLU A 123 9.120 -0.956 -13.306 1.00 33.14 O ATOM 2133 OE2 GLU A 123 8.183 -1.726 -11.478 1.00 12.54 O ATOM 0 H GLU A 123 13.588 -0.293 -11.150 1.00 34.40 H new ATOM 0 HA GLU A 123 11.420 0.511 -9.307 1.00 3.04 H new ATOM 0 HB2 GLU A 123 11.340 1.272 -11.702 1.00 24.20 H new ATOM 0 HB3 GLU A 123 11.340 -0.406 -12.208 1.00 24.20 H new ATOM 0 HG2 GLU A 123 9.247 0.123 -10.233 1.00 63.23 H new ATOM 0 HG3 GLU A 123 9.107 1.181 -11.623 1.00 63.23 H new ATOM 2140 N ALA A 124 11.235 -1.792 -8.452 1.00 44.34 N ATOM 2141 CA ALA A 124 10.914 -3.119 -7.936 1.00 12.21 C ATOM 2142 C ALA A 124 9.471 -3.156 -7.446 1.00 3.45 C ATOM 2143 O ALA A 124 8.940 -2.136 -7.002 1.00 11.22 O ATOM 2144 CB ALA A 124 11.869 -3.491 -6.811 1.00 24.12 C ATOM 0 H ALA A 124 11.265 -1.063 -7.739 1.00 44.34 H new ATOM 0 HA ALA A 124 11.027 -3.847 -8.740 1.00 12.21 H new ATOM 0 HB1 ALA A 124 11.619 -4.483 -6.435 1.00 24.12 H new ATOM 0 HB2 ALA A 124 12.892 -3.493 -7.188 1.00 24.12 H new ATOM 0 HB3 ALA A 124 11.781 -2.764 -6.004 1.00 24.12 H new ATOM 2150 N LYS A 125 8.832 -4.322 -7.528 1.00 23.22 N ATOM 2151 CA LYS A 125 7.443 -4.450 -7.088 1.00 45.24 C ATOM 2152 C LYS A 125 7.181 -5.781 -6.389 1.00 34.12 C ATOM 2153 O LYS A 125 7.614 -6.840 -6.850 1.00 3.13 O ATOM 2154 CB LYS A 125 6.457 -4.296 -8.263 1.00 74.41 C ATOM 2155 CG LYS A 125 7.095 -3.941 -9.601 1.00 13.30 C ATOM 2156 CD LYS A 125 7.468 -5.186 -10.396 1.00 4.11 C ATOM 2157 CE LYS A 125 8.963 -5.254 -10.678 1.00 12.33 C ATOM 2158 NZ LYS A 125 9.427 -4.142 -11.552 1.00 1.01 N ATOM 0 H LYS A 125 9.246 -5.181 -7.890 1.00 23.22 H new ATOM 0 HA LYS A 125 7.280 -3.642 -6.374 1.00 45.24 H new ATOM 0 HB2 LYS A 125 5.904 -5.229 -8.378 1.00 74.41 H new ATOM 0 HB3 LYS A 125 5.731 -3.524 -8.008 1.00 74.41 H new ATOM 0 HG2 LYS A 125 6.404 -3.331 -10.183 1.00 13.30 H new ATOM 0 HG3 LYS A 125 7.987 -3.338 -9.430 1.00 13.30 H new ATOM 0 HD2 LYS A 125 7.162 -6.074 -9.844 1.00 4.11 H new ATOM 0 HD3 LYS A 125 6.920 -5.192 -11.338 1.00 4.11 H new ATOM 0 HE2 LYS A 125 9.509 -5.224 -9.735 1.00 12.33 H new ATOM 0 HE3 LYS A 125 9.198 -6.207 -11.152 1.00 12.33 H new ATOM 0 HZ1 LYS A 125 9.684 -4.519 -12.487 1.00 1.01 H new ATOM 0 HZ2 LYS A 125 8.664 -3.443 -11.659 1.00 1.01 H new ATOM 0 HZ3 LYS A 125 10.257 -3.686 -11.122 1.00 1.01 H new ATOM 2172 N ARG A 126 6.431 -5.706 -5.292 1.00 62.24 N ATOM 2173 CA ARG A 126 6.043 -6.882 -4.523 1.00 12.32 C ATOM 2174 C ARG A 126 4.581 -7.189 -4.819 1.00 62.22 C ATOM 2175 O ARG A 126 3.704 -6.352 -4.588 1.00 33.43 O ATOM 2176 CB ARG A 126 6.250 -6.644 -3.023 1.00 44.04 C ATOM 2177 CG ARG A 126 7.407 -7.438 -2.431 1.00 2.12 C ATOM 2178 CD ARG A 126 6.914 -8.532 -1.494 1.00 11.30 C ATOM 2179 NE ARG A 126 7.668 -9.781 -1.642 1.00 11.52 N ATOM 2180 CZ ARG A 126 8.888 -9.990 -1.133 1.00 5.52 C ATOM 2181 NH1 ARG A 126 9.518 -9.026 -0.474 1.00 3.04 N ATOM 2182 NH2 ARG A 126 9.480 -11.171 -1.287 1.00 62.22 N ATOM 0 H ARG A 126 6.076 -4.828 -4.913 1.00 62.24 H new ATOM 0 HA ARG A 126 6.666 -7.730 -4.809 1.00 12.32 H new ATOM 0 HB2 ARG A 126 6.426 -5.582 -2.854 1.00 44.04 H new ATOM 0 HB3 ARG A 126 5.334 -6.904 -2.493 1.00 44.04 H new ATOM 0 HG2 ARG A 126 7.993 -7.883 -3.235 1.00 2.12 H new ATOM 0 HG3 ARG A 126 8.071 -6.765 -1.888 1.00 2.12 H new ATOM 0 HD2 ARG A 126 6.991 -8.185 -0.464 1.00 11.30 H new ATOM 0 HD3 ARG A 126 5.859 -8.723 -1.688 1.00 11.30 H new ATOM 0 HE ARG A 126 7.234 -10.540 -2.167 1.00 11.52 H new ATOM 0 HH11 ARG A 126 9.073 -8.117 -0.352 1.00 3.04 H new ATOM 0 HH12 ARG A 126 10.448 -9.194 -0.090 1.00 3.04 H new ATOM 0 HH21 ARG A 126 9.004 -11.918 -1.793 1.00 62.22 H new ATOM 0 HH22 ARG A 126 10.410 -11.330 -0.899 1.00 62.22 H new ATOM 2196 N ILE A 127 4.328 -8.376 -5.358 1.00 60.44 N ATOM 2197 CA ILE A 127 2.973 -8.781 -5.712 1.00 55.24 C ATOM 2198 C ILE A 127 2.349 -9.611 -4.602 1.00 34.20 C ATOM 2199 O ILE A 127 2.873 -10.664 -4.230 1.00 73.23 O ATOM 2200 CB ILE A 127 2.943 -9.590 -7.027 1.00 21.42 C ATOM 2201 CG1 ILE A 127 3.798 -8.912 -8.103 1.00 53.42 C ATOM 2202 CG2 ILE A 127 1.511 -9.755 -7.513 1.00 53.35 C ATOM 2203 CD1 ILE A 127 3.997 -9.761 -9.339 1.00 20.21 C ATOM 0 H ILE A 127 5.043 -9.075 -5.559 1.00 60.44 H new ATOM 0 HA ILE A 127 2.396 -7.867 -5.852 1.00 55.24 H new ATOM 0 HB ILE A 127 3.362 -10.577 -6.831 1.00 21.42 H new ATOM 0 HG12 ILE A 127 3.328 -7.971 -8.390 1.00 53.42 H new ATOM 0 HG13 ILE A 127 4.772 -8.666 -7.680 1.00 53.42 H new ATOM 0 HG21 ILE A 127 1.505 -10.327 -8.441 1.00 53.35 H new ATOM 0 HG22 ILE A 127 0.929 -10.283 -6.758 1.00 53.35 H new ATOM 0 HG23 ILE A 127 1.071 -8.773 -7.689 1.00 53.35 H new ATOM 0 HD11 ILE A 127 4.611 -9.219 -10.058 1.00 20.21 H new ATOM 0 HD12 ILE A 127 4.495 -10.691 -9.065 1.00 20.21 H new ATOM 0 HD13 ILE A 127 3.029 -9.986 -9.786 1.00 20.21 H new ATOM 2215 N PHE A 128 1.226 -9.131 -4.076 1.00 4.04 N ATOM 2216 CA PHE A 128 0.532 -9.832 -3.006 1.00 24.12 C ATOM 2217 C PHE A 128 -0.773 -10.430 -3.507 1.00 12.40 C ATOM 2218 O PHE A 128 -1.613 -9.726 -4.074 1.00 74.43 O ATOM 2219 CB PHE A 128 0.228 -8.881 -1.842 1.00 12.01 C ATOM 2220 CG PHE A 128 1.374 -7.989 -1.461 1.00 34.22 C ATOM 2221 CD1 PHE A 128 1.536 -6.753 -2.067 1.00 54.02 C ATOM 2222 CD2 PHE A 128 2.285 -8.384 -0.497 1.00 33.20 C ATOM 2223 CE1 PHE A 128 2.587 -5.929 -1.717 1.00 45.01 C ATOM 2224 CE2 PHE A 128 3.338 -7.564 -0.144 1.00 64.21 C ATOM 2225 CZ PHE A 128 3.490 -6.335 -0.754 1.00 14.11 C ATOM 0 H PHE A 128 0.780 -8.263 -4.373 1.00 4.04 H new ATOM 0 HA PHE A 128 1.187 -10.632 -2.661 1.00 24.12 H new ATOM 0 HB2 PHE A 128 -0.628 -8.261 -2.108 1.00 12.01 H new ATOM 0 HB3 PHE A 128 -0.064 -9.470 -0.973 1.00 12.01 H new ATOM 0 HD1 PHE A 128 0.833 -6.431 -2.821 1.00 54.02 H new ATOM 0 HD2 PHE A 128 2.171 -9.344 -0.016 1.00 33.20 H new ATOM 0 HE1 PHE A 128 2.703 -4.968 -2.196 1.00 45.01 H new ATOM 0 HE2 PHE A 128 4.043 -7.884 0.609 1.00 64.21 H new ATOM 0 HZ PHE A 128 4.313 -5.692 -0.479 1.00 14.11 H new ATOM 2235 N LYS A 129 -0.951 -11.723 -3.265 1.00 52.01 N ATOM 2236 CA LYS A 129 -2.173 -12.414 -3.658 1.00 61.23 C ATOM 2237 C LYS A 129 -2.987 -12.726 -2.413 1.00 52.55 C ATOM 2238 O LYS A 129 -2.424 -13.032 -1.359 1.00 32.11 O ATOM 2239 CB LYS A 129 -1.853 -13.703 -4.421 1.00 5.34 C ATOM 2240 CG LYS A 129 -3.072 -14.558 -4.744 1.00 21.43 C ATOM 2241 CD LYS A 129 -2.789 -16.041 -4.549 1.00 54.41 C ATOM 2242 CE LYS A 129 -2.748 -16.422 -3.076 1.00 61.32 C ATOM 2243 NZ LYS A 129 -1.733 -17.476 -2.792 1.00 60.31 N ATOM 0 H LYS A 129 -0.264 -12.315 -2.798 1.00 52.01 H new ATOM 0 HA LYS A 129 -2.749 -11.770 -4.322 1.00 61.23 H new ATOM 0 HB2 LYS A 129 -1.348 -13.445 -5.352 1.00 5.34 H new ATOM 0 HB3 LYS A 129 -1.153 -14.296 -3.832 1.00 5.34 H new ATOM 0 HG2 LYS A 129 -3.905 -14.260 -4.107 1.00 21.43 H new ATOM 0 HG3 LYS A 129 -3.379 -14.379 -5.774 1.00 21.43 H new ATOM 0 HD2 LYS A 129 -3.557 -16.627 -5.054 1.00 54.41 H new ATOM 0 HD3 LYS A 129 -1.837 -16.293 -5.016 1.00 54.41 H new ATOM 0 HE2 LYS A 129 -2.526 -15.537 -2.480 1.00 61.32 H new ATOM 0 HE3 LYS A 129 -3.732 -16.775 -2.767 1.00 61.32 H new ATOM 0 HZ1 LYS A 129 -2.105 -18.133 -2.077 1.00 60.31 H new ATOM 0 HZ2 LYS A 129 -1.522 -17.999 -3.666 1.00 60.31 H new ATOM 0 HZ3 LYS A 129 -0.863 -17.033 -2.435 1.00 60.31 H new ATOM 2257 N LYS A 130 -4.310 -12.640 -2.534 1.00 40.21 N ATOM 2258 CA LYS A 130 -5.192 -12.911 -1.398 1.00 43.41 C ATOM 2259 C LYS A 130 -4.777 -14.192 -0.704 1.00 13.11 C ATOM 2260 O LYS A 130 -4.449 -15.184 -1.355 1.00 23.14 O ATOM 2261 CB LYS A 130 -6.647 -13.046 -1.813 1.00 53.25 C ATOM 2262 CG LYS A 130 -7.117 -12.002 -2.816 1.00 51.34 C ATOM 2263 CD LYS A 130 -7.881 -10.882 -2.125 1.00 25.40 C ATOM 2264 CE LYS A 130 -9.357 -10.931 -2.471 1.00 34.45 C ATOM 2265 NZ LYS A 130 -9.881 -9.605 -2.905 1.00 32.53 N ATOM 0 H LYS A 130 -4.792 -12.388 -3.397 1.00 40.21 H new ATOM 0 HA LYS A 130 -5.100 -12.058 -0.725 1.00 43.41 H new ATOM 0 HB2 LYS A 130 -6.799 -14.037 -2.241 1.00 53.25 H new ATOM 0 HB3 LYS A 130 -7.273 -12.984 -0.923 1.00 53.25 H new ATOM 0 HG2 LYS A 130 -6.258 -11.588 -3.344 1.00 51.34 H new ATOM 0 HG3 LYS A 130 -7.754 -12.473 -3.564 1.00 51.34 H new ATOM 0 HD2 LYS A 130 -7.755 -10.964 -1.045 1.00 25.40 H new ATOM 0 HD3 LYS A 130 -7.467 -9.918 -2.422 1.00 25.40 H new ATOM 0 HE2 LYS A 130 -9.518 -11.660 -3.265 1.00 34.45 H new ATOM 0 HE3 LYS A 130 -9.920 -11.275 -1.603 1.00 34.45 H new ATOM 0 HZ1 LYS A 130 -10.683 -9.744 -3.552 1.00 32.53 H new ATOM 0 HZ2 LYS A 130 -10.197 -9.067 -2.073 1.00 32.53 H new ATOM 0 HZ3 LYS A 130 -9.129 -9.078 -3.393 1.00 32.53 H new ATOM 2279 N ASP A 131 -4.802 -14.171 0.611 1.00 33.44 N ATOM 2280 CA ASP A 131 -4.428 -15.344 1.383 1.00 55.01 C ATOM 2281 C ASP A 131 -5.661 -16.149 1.791 1.00 62.41 C ATOM 2282 O ASP A 131 -5.624 -17.390 1.664 1.00 62.41 O ATOM 2283 CB ASP A 131 -3.615 -14.948 2.621 1.00 0.44 C ATOM 2284 CG ASP A 131 -2.722 -16.073 3.124 1.00 25.35 C ATOM 2285 OD1 ASP A 131 -2.284 -16.910 2.304 1.00 15.32 O ATOM 2286 OD2 ASP A 131 -2.455 -16.116 4.342 1.00 75.41 O ATOM 2287 OXT ASP A 131 -6.654 -15.531 2.229 1.00 62.41 O ATOM 0 H ASP A 131 -5.075 -13.362 1.168 1.00 33.44 H new ATOM 0 HA ASP A 131 -3.804 -15.973 0.748 1.00 55.01 H new ATOM 0 HB2 ASP A 131 -3.000 -14.080 2.384 1.00 0.44 H new ATOM 0 HB3 ASP A 131 -4.296 -14.648 3.417 1.00 0.44 H new