USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 906 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 90 THR OG1 : rot 116:sc= -0.506 USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0.00208 USER MOD Set 1.3: A 96 GLN : amide:sc= -10.5! C(o=-11!,f=-11!) USER MOD Set 2.1: A 60 SER OG : rot 83:sc= 1.72 USER MOD Set 2.2: A 62 TYR OH : rot -45:sc= 0.47 USER MOD Set 3.1: A 18 MET CE :methyl 156:sc= -3.16 (180deg=-1.29) USER MOD Set 3.2: A 39 MET CE :methyl 159:sc= -1.72 (180deg=0) USER MOD Set 4.1: A 20 GLN : amide:sc= -2.74 K(o=-6.2,f=-4.4) USER MOD Set 4.2: A 83 MET CE :methyl 173:sc= -3.46! (180deg=-2.46!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 19 HIS : no HE2:sc= -1.32! C(o=-1.3!,f=-4.2!) USER MOD Single : A 26 ASN : amide:sc= -0.389 K(o=-0.39,f=0.27) USER MOD Single : A 27 MET CE :methyl -148:sc= -0.119 (180deg=-1.33) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0976 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -28:sc= -5.95! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 56 GLN : amide:sc= 0.0571 K(o=0.057,f=-0.81) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= 0.165 K(o=0.16,f=-1.3) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.618 X(o=-0.62,f=-0.24) USER MOD Single : A 85 ASN : amide:sc= -7.53! C(o=-7.5!,f=-9.5!) USER MOD Single : A 86 SER OG : rot 33:sc= 0.074 USER MOD Single : A 95 LYS NZ :NH3+ -142:sc= -0.917 (180deg=-2.81!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -118:sc= -1.93 (180deg=-7.42!) USER MOD Single : A 99 HIS : no HD1:sc= -0.0927 X(o=-0.093,f=0) USER MOD Single : A 104 THR OG1 : rot -109:sc= 0.665 USER MOD Single : A 105 LYS NZ :NH3+ -120:sc= -1.39! (180deg=-3.57!) USER MOD Single : A 109 CYS SG : rot 102:sc= -0.84 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 CYS SG : rot -85:sc= 1.12 USER MOD Single : A 116 GLN : amide:sc= -2.41! K(o=-2.4!,f=-0.78) USER MOD Single : A 117 GLN : amide:sc= -0.84 K(o=-0.84,f=-1.5) USER MOD Single : A 119 TYR OH : rot 82:sc= 0.334 USER MOD Single : A 124 ASN : amide:sc= -7.51! C(o=-7.5!,f=-5.8!) USER MOD Single : A 125 HIS : no HE2:sc= -0.0404 K(o=-0.04,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 102 N ILE A 11 16.118 -10.063 0.412 1.00 0.00 N ATOM 103 CA ILE A 11 16.275 -8.828 -0.345 1.00 0.00 C ATOM 104 C ILE A 11 16.515 -9.117 -1.823 1.00 0.00 C ATOM 105 O ILE A 11 15.904 -8.498 -2.694 1.00 0.00 O ATOM 106 CB ILE A 11 17.440 -7.979 0.196 1.00 0.00 C ATOM 107 CG1 ILE A 11 17.214 -7.647 1.673 1.00 0.00 C ATOM 108 CG2 ILE A 11 17.592 -6.706 -0.622 1.00 0.00 C ATOM 109 CD1 ILE A 11 16.002 -6.776 1.918 1.00 0.00 C ATOM 0 HA ILE A 11 15.346 -8.269 -0.232 1.00 0.00 H new ATOM 0 HB ILE A 11 18.361 -8.555 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 11 17.103 -8.576 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 11 18.098 -7.143 2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 11 18.420 -6.117 -0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 11 17.793 -6.964 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 11 16.672 -6.124 -0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.904 -6.581 2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 11 16.119 -5.832 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 11 15.108 -7.286 1.559 1.00 0.00 H new ATOM 121 N GLU A 12 17.408 -10.063 -2.099 1.00 0.00 N ATOM 122 CA GLU A 12 17.728 -10.434 -3.472 1.00 0.00 C ATOM 123 C GLU A 12 16.507 -11.019 -4.176 1.00 0.00 C ATOM 124 O GLU A 12 16.318 -10.826 -5.376 1.00 0.00 O ATOM 125 CB GLU A 12 18.877 -11.444 -3.496 1.00 0.00 C ATOM 126 CG GLU A 12 20.191 -10.883 -2.980 1.00 0.00 C ATOM 127 CD GLU A 12 20.909 -10.035 -4.012 1.00 0.00 C ATOM 128 OE1 GLU A 12 20.930 -10.433 -5.195 1.00 0.00 O ATOM 129 OE2 GLU A 12 21.451 -8.975 -3.636 1.00 0.00 O ATOM 0 H GLU A 12 17.922 -10.586 -1.390 1.00 0.00 H new ATOM 0 HA GLU A 12 18.035 -9.533 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 12 18.601 -12.310 -2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 12 19.018 -11.797 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 12 20.001 -10.282 -2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 12 20.839 -11.706 -2.677 1.00 0.00 H new ATOM 136 N GLN A 13 15.682 -11.736 -3.419 1.00 0.00 N ATOM 137 CA GLN A 13 14.480 -12.351 -3.970 1.00 0.00 C ATOM 138 C GLN A 13 13.434 -11.294 -4.307 1.00 0.00 C ATOM 139 O GLN A 13 12.686 -11.433 -5.276 1.00 0.00 O ATOM 140 CB GLN A 13 13.900 -13.363 -2.981 1.00 0.00 C ATOM 141 CG GLN A 13 14.657 -14.681 -2.944 1.00 0.00 C ATOM 142 CD GLN A 13 13.850 -15.800 -2.316 1.00 0.00 C ATOM 143 OE1 GLN A 13 12.839 -16.236 -2.867 1.00 0.00 O ATOM 144 NE2 GLN A 13 14.293 -16.272 -1.157 1.00 0.00 N ATOM 0 H GLN A 13 15.824 -11.905 -2.423 1.00 0.00 H new ATOM 0 HA GLN A 13 14.756 -12.869 -4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.901 -12.925 -1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.860 -13.558 -3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.935 -14.964 -3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 13 15.583 -14.548 -2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.136 -15.881 -0.736 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.791 -17.026 -0.688 1.00 0.00 H new ATOM 153 N LEU A 14 13.386 -10.238 -3.503 1.00 0.00 N ATOM 154 CA LEU A 14 12.431 -9.157 -3.716 1.00 0.00 C ATOM 155 C LEU A 14 12.827 -8.309 -4.921 1.00 0.00 C ATOM 156 O LEU A 14 12.078 -8.205 -5.893 1.00 0.00 O ATOM 157 CB LEU A 14 12.339 -8.277 -2.467 1.00 0.00 C ATOM 158 CG LEU A 14 11.469 -8.814 -1.330 1.00 0.00 C ATOM 159 CD1 LEU A 14 11.994 -8.337 0.015 1.00 0.00 C ATOM 160 CD2 LEU A 14 10.020 -8.389 -1.521 1.00 0.00 C ATOM 0 H LEU A 14 13.998 -10.107 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 14 11.455 -9.602 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.347 -8.119 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.954 -7.301 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 14 11.513 -9.903 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.362 -8.729 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 14 13.015 -8.692 0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.981 -7.247 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.415 -8.780 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.958 -7.301 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.647 -8.781 -2.467 1.00 0.00 H new ATOM 172 N LEU A 15 14.009 -7.708 -4.851 1.00 0.00 N ATOM 173 CA LEU A 15 14.506 -6.871 -5.937 1.00 0.00 C ATOM 174 C LEU A 15 14.227 -7.514 -7.292 1.00 0.00 C ATOM 175 O LEU A 15 13.481 -6.971 -8.106 1.00 0.00 O ATOM 176 CB LEU A 15 16.008 -6.629 -5.774 1.00 0.00 C ATOM 177 CG LEU A 15 16.418 -5.699 -4.632 1.00 0.00 C ATOM 178 CD1 LEU A 15 17.921 -5.757 -4.409 1.00 0.00 C ATOM 179 CD2 LEU A 15 15.975 -4.272 -4.921 1.00 0.00 C ATOM 0 H LEU A 15 14.641 -7.784 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 15 13.983 -5.915 -5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.497 -7.592 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.393 -6.217 -6.707 1.00 0.00 H new ATOM 0 HG LEU A 15 15.923 -6.035 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.194 -5.089 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.212 -6.776 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 15 18.436 -5.448 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 15 16.275 -3.624 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.441 -3.926 -5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.891 -4.242 -5.029 1.00 0.00 H new ATOM 191 N GLU A 16 14.831 -8.676 -7.525 1.00 0.00 N ATOM 192 CA GLU A 16 14.645 -9.393 -8.781 1.00 0.00 C ATOM 193 C GLU A 16 13.181 -9.368 -9.211 1.00 0.00 C ATOM 194 O GLU A 16 12.873 -9.214 -10.393 1.00 0.00 O ATOM 195 CB GLU A 16 15.122 -10.841 -8.642 1.00 0.00 C ATOM 196 CG GLU A 16 14.239 -11.689 -7.743 1.00 0.00 C ATOM 197 CD GLU A 16 14.584 -13.164 -7.810 1.00 0.00 C ATOM 198 OE1 GLU A 16 15.119 -13.602 -8.849 1.00 0.00 O ATOM 199 OE2 GLU A 16 14.319 -13.880 -6.821 1.00 0.00 O ATOM 0 H GLU A 16 15.452 -9.140 -6.862 1.00 0.00 H new ATOM 0 HA GLU A 16 15.239 -8.893 -9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 16 15.164 -11.297 -9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 16 16.138 -10.844 -8.247 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.336 -11.343 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.196 -11.550 -8.029 1.00 0.00 H new ATOM 206 N PHE A 17 12.284 -9.520 -8.244 1.00 0.00 N ATOM 207 CA PHE A 17 10.852 -9.516 -8.521 1.00 0.00 C ATOM 208 C PHE A 17 10.374 -8.115 -8.893 1.00 0.00 C ATOM 209 O PHE A 17 9.536 -7.949 -9.779 1.00 0.00 O ATOM 210 CB PHE A 17 10.074 -10.027 -7.307 1.00 0.00 C ATOM 211 CG PHE A 17 8.685 -9.463 -7.204 1.00 0.00 C ATOM 212 CD1 PHE A 17 7.863 -9.404 -8.318 1.00 0.00 C ATOM 213 CD2 PHE A 17 8.202 -8.992 -5.994 1.00 0.00 C ATOM 214 CE1 PHE A 17 6.585 -8.886 -8.227 1.00 0.00 C ATOM 215 CE2 PHE A 17 6.925 -8.474 -5.897 1.00 0.00 C ATOM 216 CZ PHE A 17 6.116 -8.420 -7.015 1.00 0.00 C ATOM 0 H PHE A 17 12.523 -9.648 -7.261 1.00 0.00 H new ATOM 0 HA PHE A 17 10.669 -10.180 -9.366 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.013 -11.114 -7.356 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.626 -9.779 -6.401 1.00 0.00 H new ATOM 0 HD1 PHE A 17 8.225 -9.767 -9.268 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.831 -9.030 -5.117 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.954 -8.846 -9.103 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.560 -8.112 -4.948 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.118 -8.014 -6.941 1.00 0.00 H new ATOM 226 N MET A 18 10.913 -7.111 -8.209 1.00 0.00 N ATOM 227 CA MET A 18 10.543 -5.725 -8.468 1.00 0.00 C ATOM 228 C MET A 18 10.974 -5.299 -9.868 1.00 0.00 C ATOM 229 O MET A 18 10.531 -4.269 -10.378 1.00 0.00 O ATOM 230 CB MET A 18 11.174 -4.802 -7.424 1.00 0.00 C ATOM 231 CG MET A 18 10.568 -4.948 -6.038 1.00 0.00 C ATOM 232 SD MET A 18 11.721 -4.504 -4.725 1.00 0.00 S ATOM 233 CE MET A 18 11.229 -2.812 -4.400 1.00 0.00 C ATOM 0 H MET A 18 11.607 -7.232 -7.471 1.00 0.00 H new ATOM 0 HA MET A 18 9.458 -5.647 -8.402 1.00 0.00 H new ATOM 0 HB2 MET A 18 12.243 -5.008 -7.368 1.00 0.00 H new ATOM 0 HB3 MET A 18 11.065 -3.768 -7.752 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.681 -4.319 -5.965 1.00 0.00 H new ATOM 0 HG3 MET A 18 10.240 -5.978 -5.896 1.00 0.00 H new ATOM 0 HE1 MET A 18 11.516 -2.538 -3.385 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.723 -2.147 -5.109 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.148 -2.720 -4.508 1.00 0.00 H new ATOM 243 N HIS A 19 11.842 -6.096 -10.483 1.00 0.00 N ATOM 244 CA HIS A 19 12.333 -5.801 -11.824 1.00 0.00 C ATOM 245 C HIS A 19 11.318 -6.227 -12.881 1.00 0.00 C ATOM 246 O HIS A 19 11.404 -5.817 -14.038 1.00 0.00 O ATOM 247 CB HIS A 19 13.668 -6.506 -12.068 1.00 0.00 C ATOM 248 CG HIS A 19 14.520 -5.836 -13.101 1.00 0.00 C ATOM 249 ND1 HIS A 19 14.067 -5.532 -14.368 1.00 0.00 N ATOM 250 CD2 HIS A 19 15.803 -5.408 -13.049 1.00 0.00 C ATOM 251 CE1 HIS A 19 15.036 -4.948 -15.051 1.00 0.00 C ATOM 252 NE2 HIS A 19 16.100 -4.861 -14.273 1.00 0.00 N ATOM 0 H HIS A 19 12.220 -6.951 -10.074 1.00 0.00 H new ATOM 0 HA HIS A 19 12.480 -4.724 -11.901 1.00 0.00 H new ATOM 0 HB2 HIS A 19 14.220 -6.555 -11.130 1.00 0.00 H new ATOM 0 HB3 HIS A 19 13.476 -7.533 -12.378 1.00 0.00 H new ATOM 0 HD1 HIS A 19 13.131 -5.727 -14.722 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.469 -5.483 -12.202 1.00 0.00 H new ATOM 0 HE1 HIS A 19 14.969 -4.601 -16.072 1.00 0.00 H new ATOM 261 N GLN A 20 10.359 -7.052 -12.474 1.00 0.00 N ATOM 262 CA GLN A 20 9.329 -7.535 -13.387 1.00 0.00 C ATOM 263 C GLN A 20 8.085 -6.656 -13.317 1.00 0.00 C ATOM 264 O GLN A 20 7.205 -6.737 -14.175 1.00 0.00 O ATOM 265 CB GLN A 20 8.964 -8.983 -13.057 1.00 0.00 C ATOM 266 CG GLN A 20 7.826 -9.111 -12.058 1.00 0.00 C ATOM 267 CD GLN A 20 7.739 -10.496 -11.446 1.00 0.00 C ATOM 268 OE1 GLN A 20 8.754 -11.092 -11.085 1.00 0.00 O ATOM 269 NE2 GLN A 20 6.523 -11.015 -11.327 1.00 0.00 N ATOM 0 H GLN A 20 10.273 -7.400 -11.519 1.00 0.00 H new ATOM 0 HA GLN A 20 9.727 -7.490 -14.401 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.688 -9.498 -13.977 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.844 -9.489 -12.660 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.959 -8.375 -11.265 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.884 -8.877 -12.554 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.709 -10.485 -11.640 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.402 -11.944 -10.923 1.00 0.00 H new ATOM 278 N LEU A 21 8.017 -5.815 -12.290 1.00 0.00 N ATOM 279 CA LEU A 21 6.880 -4.920 -12.108 1.00 0.00 C ATOM 280 C LEU A 21 7.234 -3.497 -12.527 1.00 0.00 C ATOM 281 O LEU A 21 8.333 -3.004 -12.271 1.00 0.00 O ATOM 282 CB LEU A 21 6.423 -4.935 -10.648 1.00 0.00 C ATOM 283 CG LEU A 21 5.926 -6.279 -10.114 1.00 0.00 C ATOM 284 CD1 LEU A 21 5.317 -6.112 -8.731 1.00 0.00 C ATOM 285 CD2 LEU A 21 4.916 -6.894 -11.073 1.00 0.00 C ATOM 0 H LEU A 21 8.736 -5.735 -11.571 1.00 0.00 H new ATOM 0 HA LEU A 21 6.066 -5.273 -12.741 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.254 -4.604 -10.025 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.625 -4.202 -10.531 1.00 0.00 H new ATOM 0 HG LEU A 21 6.778 -6.954 -10.034 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.969 -7.079 -8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.069 -5.717 -8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.476 -5.421 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.573 -7.850 -10.677 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.065 -6.222 -11.186 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.385 -7.051 -12.044 1.00 0.00 H new ATOM 297 N PRO A 22 6.282 -2.820 -13.185 1.00 0.00 N ATOM 298 CA PRO A 22 6.470 -1.442 -13.651 1.00 0.00 C ATOM 299 C PRO A 22 6.523 -0.443 -12.501 1.00 0.00 C ATOM 300 O PRO A 22 7.417 0.400 -12.439 1.00 0.00 O ATOM 301 CB PRO A 22 5.235 -1.191 -14.521 1.00 0.00 C ATOM 302 CG PRO A 22 4.203 -2.127 -13.993 1.00 0.00 C ATOM 303 CD PRO A 22 4.950 -3.345 -13.525 1.00 0.00 C ATOM 0 HA PRO A 22 7.415 -1.316 -14.180 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.904 -0.155 -14.449 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.445 -1.386 -15.573 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.646 -1.672 -13.174 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.479 -2.386 -14.766 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.468 -3.805 -12.663 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.005 -4.106 -14.303 1.00 0.00 H new ATOM 311 N ALA A 23 5.559 -0.544 -11.591 1.00 0.00 N ATOM 312 CA ALA A 23 5.498 0.350 -10.441 1.00 0.00 C ATOM 313 C ALA A 23 6.863 0.481 -9.774 1.00 0.00 C ATOM 314 O ALA A 23 7.226 1.551 -9.285 1.00 0.00 O ATOM 315 CB ALA A 23 4.465 -0.148 -9.440 1.00 0.00 C ATOM 0 H ALA A 23 4.810 -1.236 -11.628 1.00 0.00 H new ATOM 0 HA ALA A 23 5.200 1.337 -10.795 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.430 0.529 -8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.485 -0.183 -9.916 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.740 -1.147 -9.100 1.00 0.00 H new ATOM 321 N PHE A 24 7.616 -0.614 -9.759 1.00 0.00 N ATOM 322 CA PHE A 24 8.941 -0.621 -9.150 1.00 0.00 C ATOM 323 C PHE A 24 10.019 -0.325 -10.189 1.00 0.00 C ATOM 324 O PHE A 24 11.020 0.327 -9.893 1.00 0.00 O ATOM 325 CB PHE A 24 9.214 -1.974 -8.488 1.00 0.00 C ATOM 326 CG PHE A 24 8.330 -2.251 -7.306 1.00 0.00 C ATOM 327 CD1 PHE A 24 8.172 -1.307 -6.305 1.00 0.00 C ATOM 328 CD2 PHE A 24 7.656 -3.457 -7.196 1.00 0.00 C ATOM 329 CE1 PHE A 24 7.359 -1.560 -5.216 1.00 0.00 C ATOM 330 CE2 PHE A 24 6.841 -3.716 -6.110 1.00 0.00 C ATOM 331 CZ PHE A 24 6.692 -2.766 -5.119 1.00 0.00 C ATOM 0 H PHE A 24 7.332 -1.507 -10.161 1.00 0.00 H new ATOM 0 HA PHE A 24 8.968 0.160 -8.390 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.079 -2.765 -9.226 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.256 -2.010 -8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.690 -0.362 -6.376 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.769 -4.204 -7.968 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.245 -0.816 -4.442 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.322 -4.660 -6.037 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.055 -2.965 -4.270 1.00 0.00 H new ATOM 341 N ALA A 25 9.805 -0.809 -11.408 1.00 0.00 N ATOM 342 CA ALA A 25 10.756 -0.596 -12.492 1.00 0.00 C ATOM 343 C ALA A 25 10.802 0.873 -12.901 1.00 0.00 C ATOM 344 O ALA A 25 11.722 1.305 -13.594 1.00 0.00 O ATOM 345 CB ALA A 25 10.399 -1.467 -13.687 1.00 0.00 C ATOM 0 H ALA A 25 8.982 -1.351 -11.670 1.00 0.00 H new ATOM 0 HA ALA A 25 11.746 -0.878 -12.134 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.118 -1.297 -14.489 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.424 -2.516 -13.393 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.399 -1.212 -14.037 1.00 0.00 H new ATOM 351 N ASN A 26 9.804 1.635 -12.466 1.00 0.00 N ATOM 352 CA ASN A 26 9.730 3.055 -12.788 1.00 0.00 C ATOM 353 C ASN A 26 10.811 3.838 -12.048 1.00 0.00 C ATOM 354 O ASN A 26 11.004 5.028 -12.290 1.00 0.00 O ATOM 355 CB ASN A 26 8.349 3.609 -12.433 1.00 0.00 C ATOM 356 CG ASN A 26 7.362 3.480 -13.577 1.00 0.00 C ATOM 357 OD1 ASN A 26 6.548 2.558 -13.608 1.00 0.00 O ATOM 358 ND2 ASN A 26 7.431 4.408 -14.525 1.00 0.00 N ATOM 0 H ASN A 26 9.035 1.293 -11.890 1.00 0.00 H new ATOM 0 HA ASN A 26 9.894 3.168 -13.860 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.962 3.081 -11.562 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.442 4.659 -12.154 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.793 4.374 -15.320 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.122 5.155 -14.458 1.00 0.00 H new ATOM 365 N MET A 27 11.511 3.159 -11.145 1.00 0.00 N ATOM 366 CA MET A 27 12.573 3.790 -10.371 1.00 0.00 C ATOM 367 C MET A 27 13.837 2.935 -10.383 1.00 0.00 C ATOM 368 O MET A 27 13.771 1.713 -10.524 1.00 0.00 O ATOM 369 CB MET A 27 12.115 4.021 -8.930 1.00 0.00 C ATOM 370 CG MET A 27 11.178 2.942 -8.409 1.00 0.00 C ATOM 371 SD MET A 27 10.412 3.386 -6.838 1.00 0.00 S ATOM 372 CE MET A 27 8.679 3.372 -7.291 1.00 0.00 C ATOM 0 H MET A 27 11.362 2.173 -10.932 1.00 0.00 H new ATOM 0 HA MET A 27 12.801 4.751 -10.831 1.00 0.00 H new ATOM 0 HB2 MET A 27 12.991 4.073 -8.283 1.00 0.00 H new ATOM 0 HB3 MET A 27 11.614 4.987 -8.867 1.00 0.00 H new ATOM 0 HG2 MET A 27 10.399 2.755 -9.148 1.00 0.00 H new ATOM 0 HG3 MET A 27 11.733 2.012 -8.288 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.143 4.116 -6.702 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.578 3.607 -8.351 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.260 2.385 -7.097 1.00 0.00 H new ATOM 382 N THR A 28 14.987 3.585 -10.235 1.00 0.00 N ATOM 383 CA THR A 28 16.265 2.885 -10.231 1.00 0.00 C ATOM 384 C THR A 28 16.280 1.773 -9.188 1.00 0.00 C ATOM 385 O THR A 28 15.461 1.760 -8.270 1.00 0.00 O ATOM 386 CB THR A 28 17.434 3.849 -9.952 1.00 0.00 C ATOM 387 OG1 THR A 28 18.681 3.162 -10.095 1.00 0.00 O ATOM 388 CG2 THR A 28 17.329 4.436 -8.553 1.00 0.00 C ATOM 0 H THR A 28 15.059 4.595 -10.116 1.00 0.00 H new ATOM 0 HA THR A 28 16.390 2.452 -11.223 1.00 0.00 H new ATOM 0 HB THR A 28 17.385 4.663 -10.675 1.00 0.00 H new ATOM 0 HG1 THR A 28 19.419 3.782 -9.918 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.165 5.113 -8.379 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.392 4.984 -8.458 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.355 3.632 -7.818 1.00 0.00 H new ATOM 396 N MET A 29 17.217 0.842 -9.336 1.00 0.00 N ATOM 397 CA MET A 29 17.338 -0.274 -8.404 1.00 0.00 C ATOM 398 C MET A 29 17.671 0.224 -7.001 1.00 0.00 C ATOM 399 O MET A 29 17.085 -0.228 -6.017 1.00 0.00 O ATOM 400 CB MET A 29 18.416 -1.249 -8.881 1.00 0.00 C ATOM 401 CG MET A 29 18.883 -2.214 -7.803 1.00 0.00 C ATOM 402 SD MET A 29 19.995 -3.482 -8.439 1.00 0.00 S ATOM 403 CE MET A 29 18.858 -4.847 -8.667 1.00 0.00 C ATOM 0 H MET A 29 17.903 0.838 -10.091 1.00 0.00 H new ATOM 0 HA MET A 29 16.380 -0.792 -8.369 1.00 0.00 H new ATOM 0 HB2 MET A 29 18.030 -1.820 -9.726 1.00 0.00 H new ATOM 0 HB3 MET A 29 19.272 -0.681 -9.245 1.00 0.00 H new ATOM 0 HG2 MET A 29 19.388 -1.655 -7.015 1.00 0.00 H new ATOM 0 HG3 MET A 29 18.015 -2.692 -7.348 1.00 0.00 H new ATOM 0 HE1 MET A 29 19.398 -5.709 -9.057 1.00 0.00 H new ATOM 0 HE2 MET A 29 18.404 -5.106 -7.711 1.00 0.00 H new ATOM 0 HE3 MET A 29 18.079 -4.558 -9.372 1.00 0.00 H new ATOM 413 N SER A 30 18.614 1.156 -6.917 1.00 0.00 N ATOM 414 CA SER A 30 19.027 1.712 -5.633 1.00 0.00 C ATOM 415 C SER A 30 17.820 2.200 -4.839 1.00 0.00 C ATOM 416 O SER A 30 17.868 2.301 -3.613 1.00 0.00 O ATOM 417 CB SER A 30 20.012 2.863 -5.845 1.00 0.00 C ATOM 418 OG SER A 30 20.441 3.402 -4.606 1.00 0.00 O ATOM 0 H SER A 30 19.107 1.542 -7.722 1.00 0.00 H new ATOM 0 HA SER A 30 19.519 0.923 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.875 2.508 -6.409 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.540 3.644 -6.441 1.00 0.00 H new ATOM 0 HG SER A 30 21.071 4.135 -4.769 1.00 0.00 H new ATOM 424 N VAL A 31 16.737 2.504 -5.547 1.00 0.00 N ATOM 425 CA VAL A 31 15.515 2.981 -4.910 1.00 0.00 C ATOM 426 C VAL A 31 14.627 1.818 -4.484 1.00 0.00 C ATOM 427 O VAL A 31 13.828 1.941 -3.555 1.00 0.00 O ATOM 428 CB VAL A 31 14.717 3.906 -5.848 1.00 0.00 C ATOM 429 CG1 VAL A 31 13.276 4.030 -5.377 1.00 0.00 C ATOM 430 CG2 VAL A 31 15.378 5.274 -5.936 1.00 0.00 C ATOM 0 H VAL A 31 16.681 2.428 -6.563 1.00 0.00 H new ATOM 0 HA VAL A 31 15.818 3.545 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 31 14.711 3.466 -6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.728 4.687 -6.052 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.809 3.045 -5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.257 4.447 -4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.801 5.915 -6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.417 5.724 -4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 31 16.391 5.165 -6.324 1.00 0.00 H new ATOM 440 N ARG A 32 14.771 0.688 -5.169 1.00 0.00 N ATOM 441 CA ARG A 32 13.981 -0.498 -4.863 1.00 0.00 C ATOM 442 C ARG A 32 14.372 -1.075 -3.505 1.00 0.00 C ATOM 443 O ARG A 32 13.522 -1.274 -2.637 1.00 0.00 O ATOM 444 CB ARG A 32 14.167 -1.556 -5.952 1.00 0.00 C ATOM 445 CG ARG A 32 13.764 -1.080 -7.338 1.00 0.00 C ATOM 446 CD ARG A 32 14.082 -2.122 -8.399 1.00 0.00 C ATOM 447 NE ARG A 32 13.927 -1.592 -9.751 1.00 0.00 N ATOM 448 CZ ARG A 32 14.147 -2.306 -10.850 1.00 0.00 C ATOM 449 NH1 ARG A 32 14.528 -3.572 -10.757 1.00 0.00 N ATOM 450 NH2 ARG A 32 13.985 -1.752 -12.045 1.00 0.00 N ATOM 0 H ARG A 32 15.428 0.569 -5.940 1.00 0.00 H new ATOM 0 HA ARG A 32 12.931 -0.206 -4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.212 -1.864 -5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.580 -2.437 -5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.697 -0.859 -7.352 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.285 -0.151 -7.571 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.104 -2.477 -8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.426 -2.983 -8.270 1.00 0.00 H new ATOM 0 HE ARG A 32 13.634 -0.621 -9.858 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.653 -4.001 -9.840 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.696 -4.117 -11.602 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.692 -0.778 -12.120 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.154 -2.300 -12.888 1.00 0.00 H new ATOM 464 N ARG A 33 15.662 -1.342 -3.331 1.00 0.00 N ATOM 465 CA ARG A 33 16.165 -1.899 -2.081 1.00 0.00 C ATOM 466 C ARG A 33 15.762 -1.025 -0.896 1.00 0.00 C ATOM 467 O ARG A 33 15.308 -1.527 0.131 1.00 0.00 O ATOM 468 CB ARG A 33 17.687 -2.034 -2.134 1.00 0.00 C ATOM 469 CG ARG A 33 18.295 -2.585 -0.854 1.00 0.00 C ATOM 470 CD ARG A 33 18.548 -1.483 0.162 1.00 0.00 C ATOM 471 NE ARG A 33 19.567 -1.861 1.137 1.00 0.00 N ATOM 472 CZ ARG A 33 19.943 -1.084 2.147 1.00 0.00 C ATOM 473 NH1 ARG A 33 19.386 0.108 2.313 1.00 0.00 N ATOM 474 NH2 ARG A 33 20.877 -1.498 2.993 1.00 0.00 N ATOM 0 H ARG A 33 16.378 -1.182 -4.040 1.00 0.00 H new ATOM 0 HA ARG A 33 15.724 -2.887 -1.949 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.957 -2.687 -2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.123 -1.057 -2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.627 -3.331 -0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.232 -3.092 -1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 33 18.861 -0.577 -0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.619 -1.248 0.681 1.00 0.00 H new ATOM 0 HE ARG A 33 20.015 -2.772 1.037 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.667 0.430 1.665 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.676 0.703 3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.308 -2.414 2.869 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.164 -0.900 3.768 1.00 0.00 H new ATOM 488 N GLU A 34 15.933 0.285 -1.048 1.00 0.00 N ATOM 489 CA GLU A 34 15.589 1.227 0.010 1.00 0.00 C ATOM 490 C GLU A 34 14.134 1.058 0.437 1.00 0.00 C ATOM 491 O GLU A 34 13.808 1.145 1.622 1.00 0.00 O ATOM 492 CB GLU A 34 15.830 2.664 -0.458 1.00 0.00 C ATOM 493 CG GLU A 34 17.255 2.923 -0.918 1.00 0.00 C ATOM 494 CD GLU A 34 18.173 3.319 0.222 1.00 0.00 C ATOM 495 OE1 GLU A 34 18.145 2.640 1.269 1.00 0.00 O ATOM 496 OE2 GLU A 34 18.919 4.309 0.067 1.00 0.00 O ATOM 0 H GLU A 34 16.307 0.717 -1.893 1.00 0.00 H new ATOM 0 HA GLU A 34 16.228 1.019 0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.146 2.890 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.590 3.348 0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.646 2.027 -1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.253 3.713 -1.669 1.00 0.00 H new ATOM 503 N LEU A 35 13.262 0.815 -0.536 1.00 0.00 N ATOM 504 CA LEU A 35 11.841 0.633 -0.262 1.00 0.00 C ATOM 505 C LEU A 35 11.606 -0.605 0.598 1.00 0.00 C ATOM 506 O LEU A 35 10.839 -0.567 1.561 1.00 0.00 O ATOM 507 CB LEU A 35 11.060 0.514 -1.572 1.00 0.00 C ATOM 508 CG LEU A 35 10.891 1.806 -2.373 1.00 0.00 C ATOM 509 CD1 LEU A 35 10.621 1.495 -3.837 1.00 0.00 C ATOM 510 CD2 LEU A 35 9.769 2.652 -1.789 1.00 0.00 C ATOM 0 H LEU A 35 13.514 0.740 -1.521 1.00 0.00 H new ATOM 0 HA LEU A 35 11.487 1.506 0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.560 -0.219 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.070 0.118 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 35 11.819 2.375 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.504 2.426 -4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.457 0.930 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.708 0.905 -3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.663 3.567 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.835 2.091 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.004 2.905 -0.755 1.00 0.00 H new ATOM 522 N CYS A 36 12.270 -1.699 0.244 1.00 0.00 N ATOM 523 CA CYS A 36 12.135 -2.948 0.984 1.00 0.00 C ATOM 524 C CYS A 36 12.378 -2.727 2.474 1.00 0.00 C ATOM 525 O CYS A 36 11.909 -3.498 3.311 1.00 0.00 O ATOM 526 CB CYS A 36 13.113 -3.993 0.445 1.00 0.00 C ATOM 527 SG CYS A 36 12.904 -5.640 1.163 1.00 0.00 S ATOM 0 H CYS A 36 12.907 -1.747 -0.551 1.00 0.00 H new ATOM 0 HA CYS A 36 11.116 -3.312 0.851 1.00 0.00 H new ATOM 0 HB2 CYS A 36 12.995 -4.062 -0.636 1.00 0.00 H new ATOM 0 HB3 CYS A 36 14.131 -3.653 0.633 1.00 0.00 H new ATOM 0 HG CYS A 36 12.409 -5.532 2.360 1.00 0.00 H new ATOM 533 N SER A 37 13.115 -1.669 2.797 1.00 0.00 N ATOM 534 CA SER A 37 13.425 -1.350 4.185 1.00 0.00 C ATOM 535 C SER A 37 12.207 -0.764 4.893 1.00 0.00 C ATOM 536 O SER A 37 11.990 -1.005 6.081 1.00 0.00 O ATOM 537 CB SER A 37 14.593 -0.363 4.255 1.00 0.00 C ATOM 538 OG SER A 37 15.173 -0.350 5.548 1.00 0.00 O ATOM 0 H SER A 37 13.508 -1.019 2.117 1.00 0.00 H new ATOM 0 HA SER A 37 13.708 -2.274 4.690 1.00 0.00 H new ATOM 0 HB2 SER A 37 15.348 -0.635 3.517 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.244 0.637 4.000 1.00 0.00 H new ATOM 0 HG SER A 37 15.918 0.287 5.566 1.00 0.00 H new ATOM 544 N VAL A 38 11.415 0.007 4.155 1.00 0.00 N ATOM 545 CA VAL A 38 10.218 0.627 4.710 1.00 0.00 C ATOM 546 C VAL A 38 8.955 -0.002 4.132 1.00 0.00 C ATOM 547 O VAL A 38 7.884 0.603 4.152 1.00 0.00 O ATOM 548 CB VAL A 38 10.194 2.143 4.438 1.00 0.00 C ATOM 549 CG1 VAL A 38 11.410 2.816 5.056 1.00 0.00 C ATOM 550 CG2 VAL A 38 10.126 2.415 2.943 1.00 0.00 C ATOM 0 H VAL A 38 11.581 0.217 3.171 1.00 0.00 H new ATOM 0 HA VAL A 38 10.244 0.459 5.787 1.00 0.00 H new ATOM 0 HB VAL A 38 9.301 2.563 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.376 3.886 4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.409 2.650 6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.318 2.394 4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.110 3.491 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.999 1.982 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.221 1.968 2.533 1.00 0.00 H new ATOM 560 N MET A 39 9.090 -1.220 3.618 1.00 0.00 N ATOM 561 CA MET A 39 7.958 -1.933 3.036 1.00 0.00 C ATOM 562 C MET A 39 7.162 -2.661 4.114 1.00 0.00 C ATOM 563 O MET A 39 7.735 -3.235 5.041 1.00 0.00 O ATOM 564 CB MET A 39 8.443 -2.930 1.982 1.00 0.00 C ATOM 565 CG MET A 39 8.522 -2.344 0.582 1.00 0.00 C ATOM 566 SD MET A 39 8.237 -3.576 -0.704 1.00 0.00 S ATOM 567 CE MET A 39 9.025 -2.789 -2.107 1.00 0.00 C ATOM 0 H MET A 39 9.971 -1.734 3.592 1.00 0.00 H new ATOM 0 HA MET A 39 7.306 -1.201 2.560 1.00 0.00 H new ATOM 0 HB2 MET A 39 9.428 -3.299 2.269 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.772 -3.789 1.970 1.00 0.00 H new ATOM 0 HG2 MET A 39 7.786 -1.546 0.484 1.00 0.00 H new ATOM 0 HG3 MET A 39 9.503 -1.893 0.436 1.00 0.00 H new ATOM 0 HE1 MET A 39 9.268 -3.541 -2.857 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.348 -2.052 -2.538 1.00 0.00 H new ATOM 0 HE3 MET A 39 9.940 -2.294 -1.780 1.00 0.00 H new ATOM 577 N ILE A 40 5.839 -2.634 3.986 1.00 0.00 N ATOM 578 CA ILE A 40 4.966 -3.293 4.949 1.00 0.00 C ATOM 579 C ILE A 40 4.442 -4.617 4.401 1.00 0.00 C ATOM 580 O ILE A 40 4.408 -4.829 3.188 1.00 0.00 O ATOM 581 CB ILE A 40 3.770 -2.399 5.328 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.255 -1.002 5.722 1.00 0.00 C ATOM 583 CG2 ILE A 40 2.976 -3.030 6.462 1.00 0.00 C ATOM 584 CD1 ILE A 40 4.667 -0.893 7.173 1.00 0.00 C ATOM 0 H ILE A 40 5.349 -2.163 3.225 1.00 0.00 H new ATOM 0 HA ILE A 40 5.565 -3.483 5.840 1.00 0.00 H new ATOM 0 HB ILE A 40 3.116 -2.305 4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.101 -0.728 5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.462 -0.281 5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.134 -2.387 6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.605 -4.005 6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.619 -3.151 7.334 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.999 0.124 7.381 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.818 -1.135 7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.481 -1.589 7.373 1.00 0.00 H new ATOM 596 N PHE A 41 4.034 -5.504 5.302 1.00 0.00 N ATOM 597 CA PHE A 41 3.511 -6.807 4.909 1.00 0.00 C ATOM 598 C PHE A 41 2.029 -6.924 5.251 1.00 0.00 C ATOM 599 O PHE A 41 1.650 -6.921 6.422 1.00 0.00 O ATOM 600 CB PHE A 41 4.295 -7.924 5.600 1.00 0.00 C ATOM 601 CG PHE A 41 5.704 -8.067 5.099 1.00 0.00 C ATOM 602 CD1 PHE A 41 5.956 -8.294 3.755 1.00 0.00 C ATOM 603 CD2 PHE A 41 6.777 -7.974 5.971 1.00 0.00 C ATOM 604 CE1 PHE A 41 7.251 -8.426 3.290 1.00 0.00 C ATOM 605 CE2 PHE A 41 8.074 -8.104 5.512 1.00 0.00 C ATOM 606 CZ PHE A 41 8.311 -8.331 4.170 1.00 0.00 C ATOM 0 H PHE A 41 4.055 -5.344 6.309 1.00 0.00 H new ATOM 0 HA PHE A 41 3.625 -6.906 3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.317 -7.731 6.673 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.769 -8.868 5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.130 -8.369 3.063 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.598 -7.798 7.021 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.433 -8.603 2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.902 -8.028 6.202 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.324 -8.434 3.810 1.00 0.00 H new ATOM 616 N GLU A 42 1.196 -7.027 4.221 1.00 0.00 N ATOM 617 CA GLU A 42 -0.245 -7.143 4.412 1.00 0.00 C ATOM 618 C GLU A 42 -0.851 -8.118 3.406 1.00 0.00 C ATOM 619 O GLU A 42 -0.437 -8.169 2.248 1.00 0.00 O ATOM 620 CB GLU A 42 -0.912 -5.773 4.277 1.00 0.00 C ATOM 621 CG GLU A 42 -0.901 -4.960 5.561 1.00 0.00 C ATOM 622 CD GLU A 42 -1.885 -5.481 6.590 1.00 0.00 C ATOM 623 OE1 GLU A 42 -1.853 -6.695 6.881 1.00 0.00 O ATOM 624 OE2 GLU A 42 -2.687 -4.674 7.104 1.00 0.00 O ATOM 0 H GLU A 42 1.494 -7.033 3.246 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.422 -7.528 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.406 -5.207 3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.944 -5.911 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.103 -4.972 5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.138 -3.921 5.331 1.00 0.00 H new ATOM 631 N VAL A 43 -1.834 -8.890 3.858 1.00 0.00 N ATOM 632 CA VAL A 43 -2.498 -9.863 2.999 1.00 0.00 C ATOM 633 C VAL A 43 -3.977 -9.985 3.347 1.00 0.00 C ATOM 634 O VAL A 43 -4.336 -10.240 4.497 1.00 0.00 O ATOM 635 CB VAL A 43 -1.839 -11.251 3.109 1.00 0.00 C ATOM 636 CG1 VAL A 43 -2.606 -12.273 2.284 1.00 0.00 C ATOM 637 CG2 VAL A 43 -0.383 -11.186 2.675 1.00 0.00 C ATOM 0 H VAL A 43 -2.188 -8.860 4.814 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.398 -9.502 1.975 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.868 -11.566 4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.126 -13.247 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.631 -12.339 2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.611 -11.966 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.066 -12.175 2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.327 -10.849 1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.156 -10.487 3.314 1.00 0.00 H new ATOM 647 N VAL A 44 -4.832 -9.802 2.346 1.00 0.00 N ATOM 648 CA VAL A 44 -6.273 -9.892 2.546 1.00 0.00 C ATOM 649 C VAL A 44 -6.771 -11.316 2.320 1.00 0.00 C ATOM 650 O VAL A 44 -6.562 -11.895 1.254 1.00 0.00 O ATOM 651 CB VAL A 44 -7.032 -8.940 1.603 1.00 0.00 C ATOM 652 CG1 VAL A 44 -8.534 -9.084 1.793 1.00 0.00 C ATOM 653 CG2 VAL A 44 -6.592 -7.501 1.833 1.00 0.00 C ATOM 0 H VAL A 44 -4.551 -9.591 1.388 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.468 -9.600 3.578 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.794 -9.209 0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.053 -8.403 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.832 -10.109 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.795 -8.843 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.138 -6.841 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.800 -7.218 2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.523 -7.412 1.641 1.00 0.00 H new ATOM 663 N GLU A 45 -7.431 -11.874 3.330 1.00 0.00 N ATOM 664 CA GLU A 45 -7.958 -13.230 3.241 1.00 0.00 C ATOM 665 C GLU A 45 -9.392 -13.223 2.721 1.00 0.00 C ATOM 666 O GLU A 45 -9.760 -14.038 1.875 1.00 0.00 O ATOM 667 CB GLU A 45 -7.903 -13.913 4.609 1.00 0.00 C ATOM 668 CG GLU A 45 -6.600 -14.650 4.870 1.00 0.00 C ATOM 669 CD GLU A 45 -6.732 -15.703 5.954 1.00 0.00 C ATOM 670 OE1 GLU A 45 -7.576 -16.610 5.799 1.00 0.00 O ATOM 671 OE2 GLU A 45 -5.992 -15.618 6.956 1.00 0.00 O ATOM 0 H GLU A 45 -7.613 -11.408 4.219 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.338 -13.788 2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.048 -13.163 5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.731 -14.618 4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.264 -15.124 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.832 -13.932 5.158 1.00 0.00 H new ATOM 678 N GLN A 46 -10.197 -12.299 3.234 1.00 0.00 N ATOM 679 CA GLN A 46 -11.592 -12.187 2.823 1.00 0.00 C ATOM 680 C GLN A 46 -11.713 -11.405 1.519 1.00 0.00 C ATOM 681 O GLN A 46 -11.605 -10.179 1.507 1.00 0.00 O ATOM 682 CB GLN A 46 -12.416 -11.507 3.918 1.00 0.00 C ATOM 683 CG GLN A 46 -12.764 -12.427 5.077 1.00 0.00 C ATOM 684 CD GLN A 46 -13.507 -11.711 6.187 1.00 0.00 C ATOM 685 OE1 GLN A 46 -13.813 -10.523 6.080 1.00 0.00 O ATOM 686 NE2 GLN A 46 -13.802 -12.432 7.263 1.00 0.00 N ATOM 0 H GLN A 46 -9.908 -11.617 3.935 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.979 -13.193 2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.861 -10.650 4.299 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.337 -11.122 3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.374 -13.252 4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.849 -12.861 5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.529 -13.414 7.310 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.301 -12.004 8.043 1.00 0.00 H new ATOM 695 N ALA A 47 -11.939 -12.123 0.424 1.00 0.00 N ATOM 696 CA ALA A 47 -12.077 -11.496 -0.885 1.00 0.00 C ATOM 697 C ALA A 47 -13.102 -10.367 -0.848 1.00 0.00 C ATOM 698 O ALA A 47 -13.809 -10.190 0.143 1.00 0.00 O ATOM 699 CB ALA A 47 -12.469 -12.532 -1.928 1.00 0.00 C ATOM 0 H ALA A 47 -12.030 -13.139 0.417 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.113 -11.068 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.569 -12.050 -2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.700 -13.303 -1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.420 -12.987 -1.650 1.00 0.00 H new ATOM 705 N GLY A 48 -13.176 -9.605 -1.935 1.00 0.00 N ATOM 706 CA GLY A 48 -14.117 -8.502 -2.005 1.00 0.00 C ATOM 707 C GLY A 48 -14.005 -7.568 -0.816 1.00 0.00 C ATOM 708 O GLY A 48 -15.000 -6.997 -0.371 1.00 0.00 O ATOM 0 H GLY A 48 -12.601 -9.732 -2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.945 -7.939 -2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.132 -8.897 -2.059 1.00 0.00 H new ATOM 712 N ALA A 49 -12.791 -7.414 -0.298 1.00 0.00 N ATOM 713 CA ALA A 49 -12.553 -6.544 0.847 1.00 0.00 C ATOM 714 C ALA A 49 -12.224 -5.124 0.398 1.00 0.00 C ATOM 715 O ALA A 49 -11.602 -4.922 -0.645 1.00 0.00 O ATOM 716 CB ALA A 49 -11.430 -7.101 1.709 1.00 0.00 C ATOM 0 H ALA A 49 -11.957 -7.881 -0.653 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.467 -6.507 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.263 -6.441 2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.704 -8.093 2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.517 -7.168 1.118 1.00 0.00 H new ATOM 722 N ILE A 50 -12.646 -4.145 1.191 1.00 0.00 N ATOM 723 CA ILE A 50 -12.394 -2.744 0.874 1.00 0.00 C ATOM 724 C ILE A 50 -10.980 -2.336 1.272 1.00 0.00 C ATOM 725 O ILE A 50 -10.586 -2.472 2.430 1.00 0.00 O ATOM 726 CB ILE A 50 -13.402 -1.818 1.581 1.00 0.00 C ATOM 727 CG1 ILE A 50 -14.833 -2.193 1.191 1.00 0.00 C ATOM 728 CG2 ILE A 50 -13.116 -0.364 1.236 1.00 0.00 C ATOM 729 CD1 ILE A 50 -15.295 -3.508 1.779 1.00 0.00 C ATOM 0 H ILE A 50 -13.164 -4.296 2.057 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.510 -2.638 -0.205 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.295 -1.943 2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.509 -1.402 1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.903 -2.246 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.836 0.279 1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.108 -0.105 1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.199 -0.223 0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.318 -3.710 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.643 -4.310 1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.258 -3.453 2.867 1.00 0.00 H new ATOM 741 N ILE A 51 -10.221 -1.833 0.304 1.00 0.00 N ATOM 742 CA ILE A 51 -8.852 -1.402 0.553 1.00 0.00 C ATOM 743 C ILE A 51 -8.797 0.082 0.899 1.00 0.00 C ATOM 744 O ILE A 51 -7.988 0.509 1.724 1.00 0.00 O ATOM 745 CB ILE A 51 -7.947 -1.667 -0.665 1.00 0.00 C ATOM 746 CG1 ILE A 51 -8.408 -2.925 -1.405 1.00 0.00 C ATOM 747 CG2 ILE A 51 -6.496 -1.805 -0.227 1.00 0.00 C ATOM 748 CD1 ILE A 51 -8.299 -4.187 -0.579 1.00 0.00 C ATOM 0 H ILE A 51 -10.532 -1.714 -0.660 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.488 -1.984 1.399 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.021 -0.819 -1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.444 -2.794 -1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.814 -3.041 -2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.869 -1.992 -1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.174 -0.885 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.404 -2.637 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.643 -5.038 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.260 -4.343 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.915 -4.091 0.315 1.00 0.00 H new ATOM 760 N LEU A 52 -9.664 0.864 0.265 1.00 0.00 N ATOM 761 CA LEU A 52 -9.716 2.302 0.507 1.00 0.00 C ATOM 762 C LEU A 52 -11.101 2.857 0.188 1.00 0.00 C ATOM 763 O LEU A 52 -11.628 2.647 -0.904 1.00 0.00 O ATOM 764 CB LEU A 52 -8.660 3.019 -0.336 1.00 0.00 C ATOM 765 CG LEU A 52 -7.222 2.529 -0.168 1.00 0.00 C ATOM 766 CD1 LEU A 52 -6.343 3.061 -1.290 1.00 0.00 C ATOM 767 CD2 LEU A 52 -6.670 2.947 1.187 1.00 0.00 C ATOM 0 H LEU A 52 -10.340 0.527 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.509 2.476 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.935 2.922 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.691 4.081 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.222 1.440 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.323 2.702 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.726 2.712 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.350 4.151 -1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.645 2.589 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.684 4.034 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.284 2.517 1.978 1.00 0.00 H new ATOM 779 N GLU A 53 -11.683 3.568 1.149 1.00 0.00 N ATOM 780 CA GLU A 53 -13.006 4.155 0.969 1.00 0.00 C ATOM 781 C GLU A 53 -12.907 5.531 0.317 1.00 0.00 C ATOM 782 O GLU A 53 -11.904 6.229 0.465 1.00 0.00 O ATOM 783 CB GLU A 53 -13.726 4.267 2.314 1.00 0.00 C ATOM 784 CG GLU A 53 -13.977 2.926 2.984 1.00 0.00 C ATOM 785 CD GLU A 53 -14.142 3.046 4.486 1.00 0.00 C ATOM 786 OE1 GLU A 53 -13.210 3.553 5.146 1.00 0.00 O ATOM 787 OE2 GLU A 53 -15.201 2.633 5.002 1.00 0.00 O ATOM 0 H GLU A 53 -11.260 3.751 2.059 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.579 3.501 0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.134 4.892 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.680 4.773 2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.873 2.474 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.147 2.254 2.766 1.00 0.00 H new ATOM 794 N ASP A 54 -13.953 5.913 -0.406 1.00 0.00 N ATOM 795 CA ASP A 54 -13.986 7.206 -1.081 1.00 0.00 C ATOM 796 C ASP A 54 -13.893 8.347 -0.074 1.00 0.00 C ATOM 797 O ASP A 54 -14.830 8.599 0.682 1.00 0.00 O ATOM 798 CB ASP A 54 -15.265 7.341 -1.908 1.00 0.00 C ATOM 799 CG ASP A 54 -15.374 8.691 -2.589 1.00 0.00 C ATOM 800 OD1 ASP A 54 -15.723 9.676 -1.904 1.00 0.00 O ATOM 801 OD2 ASP A 54 -15.110 8.764 -3.807 1.00 0.00 O ATOM 0 H ASP A 54 -14.790 5.346 -0.540 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.125 7.263 -1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.292 6.554 -2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.130 7.193 -1.261 1.00 0.00 H new ATOM 806 N GLY A 55 -12.755 9.035 -0.069 1.00 0.00 N ATOM 807 CA GLY A 55 -12.560 10.140 0.851 1.00 0.00 C ATOM 808 C GLY A 55 -11.700 9.761 2.040 1.00 0.00 C ATOM 809 O GLY A 55 -11.786 10.382 3.099 1.00 0.00 O ATOM 0 H GLY A 55 -11.965 8.847 -0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.096 10.972 0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.530 10.489 1.205 1.00 0.00 H new ATOM 813 N GLN A 56 -10.870 8.737 1.866 1.00 0.00 N ATOM 814 CA GLN A 56 -9.994 8.275 2.936 1.00 0.00 C ATOM 815 C GLN A 56 -8.591 8.854 2.778 1.00 0.00 C ATOM 816 O GLN A 56 -7.854 8.479 1.867 1.00 0.00 O ATOM 817 CB GLN A 56 -9.929 6.747 2.946 1.00 0.00 C ATOM 818 CG GLN A 56 -9.026 6.183 4.031 1.00 0.00 C ATOM 819 CD GLN A 56 -8.984 4.668 4.027 1.00 0.00 C ATOM 820 OE1 GLN A 56 -10.020 4.007 3.939 1.00 0.00 O ATOM 821 NE2 GLN A 56 -7.784 4.108 4.123 1.00 0.00 N ATOM 0 H GLN A 56 -10.786 8.212 0.995 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.406 8.620 3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.935 6.350 3.080 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.576 6.400 1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.016 6.571 3.896 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.373 6.530 5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.952 4.694 4.194 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.694 3.092 4.126 1.00 0.00 H new ATOM 830 N GLU A 57 -8.230 9.768 3.673 1.00 0.00 N ATOM 831 CA GLU A 57 -6.916 10.399 3.631 1.00 0.00 C ATOM 832 C GLU A 57 -5.820 9.360 3.415 1.00 0.00 C ATOM 833 O GLU A 57 -5.356 8.724 4.363 1.00 0.00 O ATOM 834 CB GLU A 57 -6.655 11.170 4.927 1.00 0.00 C ATOM 835 CG GLU A 57 -5.313 11.883 4.951 1.00 0.00 C ATOM 836 CD GLU A 57 -5.050 12.587 6.268 1.00 0.00 C ATOM 837 OE1 GLU A 57 -6.028 12.998 6.928 1.00 0.00 O ATOM 838 OE2 GLU A 57 -3.866 12.725 6.640 1.00 0.00 O ATOM 0 H GLU A 57 -8.828 10.088 4.435 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.902 11.096 2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.449 11.903 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.705 10.478 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.519 11.160 4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.278 12.611 4.141 1.00 0.00 H new ATOM 845 N LEU A 58 -5.412 9.191 2.163 1.00 0.00 N ATOM 846 CA LEU A 58 -4.371 8.228 1.820 1.00 0.00 C ATOM 847 C LEU A 58 -3.026 8.651 2.401 1.00 0.00 C ATOM 848 O LEU A 58 -2.462 9.673 2.009 1.00 0.00 O ATOM 849 CB LEU A 58 -4.261 8.085 0.301 1.00 0.00 C ATOM 850 CG LEU A 58 -5.555 7.740 -0.436 1.00 0.00 C ATOM 851 CD1 LEU A 58 -5.459 8.141 -1.900 1.00 0.00 C ATOM 852 CD2 LEU A 58 -5.863 6.255 -0.308 1.00 0.00 C ATOM 0 H LEU A 58 -5.786 9.708 1.367 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.645 7.265 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.873 9.020 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.524 7.312 0.081 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.370 8.301 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.389 7.888 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.287 9.215 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.632 7.608 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.788 6.028 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.046 5.676 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.976 5.996 0.745 1.00 0.00 H new ATOM 864 N ASP A 59 -2.516 7.857 3.337 1.00 0.00 N ATOM 865 CA ASP A 59 -1.234 8.147 3.970 1.00 0.00 C ATOM 866 C ASP A 59 -0.285 6.959 3.845 1.00 0.00 C ATOM 867 O ASP A 59 0.520 6.700 4.739 1.00 0.00 O ATOM 868 CB ASP A 59 -1.438 8.501 5.444 1.00 0.00 C ATOM 869 CG ASP A 59 -1.889 9.935 5.638 1.00 0.00 C ATOM 870 OD1 ASP A 59 -1.252 10.841 5.061 1.00 0.00 O ATOM 871 OD2 ASP A 59 -2.879 10.152 6.368 1.00 0.00 O ATOM 0 H ASP A 59 -2.970 7.008 3.674 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.788 9.000 3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.179 7.829 5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.506 8.340 5.986 1.00 0.00 H new ATOM 876 N SER A 60 -0.387 6.241 2.732 1.00 0.00 N ATOM 877 CA SER A 60 0.458 5.078 2.492 1.00 0.00 C ATOM 878 C SER A 60 0.326 4.597 1.050 1.00 0.00 C ATOM 879 O SER A 60 -0.780 4.472 0.526 1.00 0.00 O ATOM 880 CB SER A 60 0.090 3.947 3.454 1.00 0.00 C ATOM 881 OG SER A 60 -1.315 3.784 3.536 1.00 0.00 O ATOM 0 H SER A 60 -1.047 6.444 1.981 1.00 0.00 H new ATOM 0 HA SER A 60 1.494 5.371 2.665 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.548 3.017 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.493 4.162 4.444 1.00 0.00 H new ATOM 0 HG SER A 60 -1.625 3.236 2.785 1.00 0.00 H new ATOM 887 N TRP A 61 1.462 4.330 0.416 1.00 0.00 N ATOM 888 CA TRP A 61 1.474 3.864 -0.966 1.00 0.00 C ATOM 889 C TRP A 61 1.230 2.360 -1.035 1.00 0.00 C ATOM 890 O TRP A 61 1.974 1.574 -0.449 1.00 0.00 O ATOM 891 CB TRP A 61 2.809 4.207 -1.630 1.00 0.00 C ATOM 892 CG TRP A 61 2.807 3.990 -3.113 1.00 0.00 C ATOM 893 CD1 TRP A 61 1.799 4.289 -3.984 1.00 0.00 C ATOM 894 CD2 TRP A 61 3.864 3.426 -3.897 1.00 0.00 C ATOM 895 NE1 TRP A 61 2.165 3.945 -5.263 1.00 0.00 N ATOM 896 CE2 TRP A 61 3.427 3.414 -5.237 1.00 0.00 C ATOM 897 CE3 TRP A 61 5.136 2.932 -3.599 1.00 0.00 C ATOM 898 CZ2 TRP A 61 4.219 2.926 -6.273 1.00 0.00 C ATOM 899 CZ3 TRP A 61 5.921 2.448 -4.629 1.00 0.00 C ATOM 900 CH2 TRP A 61 5.460 2.449 -5.952 1.00 0.00 C ATOM 0 H TRP A 61 2.386 4.428 0.836 1.00 0.00 H new ATOM 0 HA TRP A 61 0.670 4.369 -1.501 1.00 0.00 H new ATOM 0 HB2 TRP A 61 3.053 5.249 -1.423 1.00 0.00 H new ATOM 0 HB3 TRP A 61 3.596 3.600 -1.182 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.853 4.731 -3.708 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.590 4.066 -6.097 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.500 2.928 -2.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.866 2.924 -7.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.906 2.063 -4.410 1.00 0.00 H new ATOM 0 HH2 TRP A 61 6.098 2.065 -6.735 1.00 0.00 H new ATOM 911 N TYR A 62 0.184 1.968 -1.754 1.00 0.00 N ATOM 912 CA TYR A 62 -0.159 0.558 -1.897 1.00 0.00 C ATOM 913 C TYR A 62 0.246 0.036 -3.272 1.00 0.00 C ATOM 914 O TYR A 62 0.051 0.707 -4.286 1.00 0.00 O ATOM 915 CB TYR A 62 -1.659 0.352 -1.683 1.00 0.00 C ATOM 916 CG TYR A 62 -2.139 0.779 -0.314 1.00 0.00 C ATOM 917 CD1 TYR A 62 -2.190 2.122 0.040 1.00 0.00 C ATOM 918 CD2 TYR A 62 -2.544 -0.161 0.626 1.00 0.00 C ATOM 919 CE1 TYR A 62 -2.627 2.515 1.289 1.00 0.00 C ATOM 920 CE2 TYR A 62 -2.984 0.223 1.878 1.00 0.00 C ATOM 921 CZ TYR A 62 -3.023 1.563 2.205 1.00 0.00 C ATOM 922 OH TYR A 62 -3.460 1.951 3.450 1.00 0.00 O ATOM 0 H TYR A 62 -0.441 2.606 -2.247 1.00 0.00 H new ATOM 0 HA TYR A 62 0.389 -0.002 -1.139 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.206 0.912 -2.442 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.897 -0.701 -1.830 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.882 2.871 -0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.514 -1.211 0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.659 3.563 1.548 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.295 -0.521 2.596 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.852 2.628 3.814 1.00 0.00 H new ATOM 932 N VAL A 63 0.810 -1.167 -3.299 1.00 0.00 N ATOM 933 CA VAL A 63 1.242 -1.782 -4.548 1.00 0.00 C ATOM 934 C VAL A 63 0.803 -3.240 -4.624 1.00 0.00 C ATOM 935 O VAL A 63 1.219 -4.067 -3.812 1.00 0.00 O ATOM 936 CB VAL A 63 2.772 -1.709 -4.711 1.00 0.00 C ATOM 937 CG1 VAL A 63 3.205 -2.396 -5.997 1.00 0.00 C ATOM 938 CG2 VAL A 63 3.241 -0.262 -4.685 1.00 0.00 C ATOM 0 H VAL A 63 0.979 -1.736 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 63 0.771 -1.221 -5.355 1.00 0.00 H new ATOM 0 HB VAL A 63 3.235 -2.232 -3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.289 -2.334 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.902 -3.443 -5.970 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.735 -1.904 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.324 -0.228 -4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.771 0.287 -5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.964 0.193 -3.734 1.00 0.00 H new ATOM 948 N ILE A 64 -0.040 -3.549 -5.604 1.00 0.00 N ATOM 949 CA ILE A 64 -0.534 -4.908 -5.786 1.00 0.00 C ATOM 950 C ILE A 64 0.617 -5.903 -5.879 1.00 0.00 C ATOM 951 O ILE A 64 1.415 -5.861 -6.816 1.00 0.00 O ATOM 952 CB ILE A 64 -1.404 -5.025 -7.052 1.00 0.00 C ATOM 953 CG1 ILE A 64 -2.577 -4.046 -6.984 1.00 0.00 C ATOM 954 CG2 ILE A 64 -1.906 -6.452 -7.218 1.00 0.00 C ATOM 955 CD1 ILE A 64 -3.171 -3.720 -8.336 1.00 0.00 C ATOM 0 H ILE A 64 -0.395 -2.876 -6.284 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.143 -5.143 -4.913 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.794 -4.771 -7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.355 -4.467 -6.347 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.242 -3.123 -6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.519 -6.520 -8.117 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.056 -7.129 -7.307 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.503 -6.731 -6.350 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.998 -3.021 -8.211 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.407 -3.270 -8.970 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.537 -4.635 -8.803 1.00 0.00 H new ATOM 967 N LEU A 65 0.696 -6.800 -4.902 1.00 0.00 N ATOM 968 CA LEU A 65 1.749 -7.810 -4.874 1.00 0.00 C ATOM 969 C LEU A 65 1.281 -9.103 -5.532 1.00 0.00 C ATOM 970 O LEU A 65 2.015 -9.720 -6.303 1.00 0.00 O ATOM 971 CB LEU A 65 2.181 -8.085 -3.433 1.00 0.00 C ATOM 972 CG LEU A 65 3.210 -7.119 -2.844 1.00 0.00 C ATOM 973 CD1 LEU A 65 3.686 -7.609 -1.486 1.00 0.00 C ATOM 974 CD2 LEU A 65 4.386 -6.948 -3.794 1.00 0.00 C ATOM 0 H LEU A 65 0.044 -6.849 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 65 2.601 -7.426 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.294 -8.070 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.590 -9.094 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 65 2.733 -6.148 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.418 -6.909 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.837 -7.678 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.145 -8.592 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.108 -6.257 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.863 -7.914 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.031 -6.550 -4.745 1.00 0.00 H new ATOM 986 N ASN A 66 0.053 -9.507 -5.225 1.00 0.00 N ATOM 987 CA ASN A 66 -0.515 -10.727 -5.788 1.00 0.00 C ATOM 988 C ASN A 66 -2.039 -10.669 -5.786 1.00 0.00 C ATOM 989 O ASN A 66 -2.664 -10.518 -4.737 1.00 0.00 O ATOM 990 CB ASN A 66 -0.038 -11.947 -4.999 1.00 0.00 C ATOM 991 CG ASN A 66 -0.370 -13.252 -5.696 1.00 0.00 C ATOM 992 OD1 ASN A 66 0.283 -13.633 -6.668 1.00 0.00 O ATOM 993 ND2 ASN A 66 -1.389 -13.945 -5.201 1.00 0.00 N ATOM 0 H ASN A 66 -0.569 -9.007 -4.589 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.175 -10.814 -6.820 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.040 -11.882 -4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.497 -11.939 -4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.658 -14.831 -5.628 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.902 -13.591 -4.394 1.00 0.00 H new ATOM 1000 N GLY A 67 -2.633 -10.790 -6.970 1.00 0.00 N ATOM 1001 CA GLY A 67 -4.079 -10.750 -7.082 1.00 0.00 C ATOM 1002 C GLY A 67 -4.562 -9.598 -7.942 1.00 0.00 C ATOM 1003 O GLY A 67 -3.770 -8.947 -8.623 1.00 0.00 O ATOM 0 H GLY A 67 -2.138 -10.915 -7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.434 -11.689 -7.506 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.515 -10.664 -6.087 1.00 0.00 H new ATOM 1007 N THR A 68 -5.867 -9.346 -7.912 1.00 0.00 N ATOM 1008 CA THR A 68 -6.455 -8.268 -8.696 1.00 0.00 C ATOM 1009 C THR A 68 -7.394 -7.419 -7.846 1.00 0.00 C ATOM 1010 O THR A 68 -8.203 -7.946 -7.082 1.00 0.00 O ATOM 1011 CB THR A 68 -7.231 -8.813 -9.909 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.346 -9.533 -10.774 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.894 -7.682 -10.680 1.00 0.00 C ATOM 0 H THR A 68 -6.537 -9.874 -7.353 1.00 0.00 H new ATOM 0 HA THR A 68 -5.630 -7.650 -9.050 1.00 0.00 H new ATOM 0 HB THR A 68 -8.007 -9.486 -9.543 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.848 -9.878 -11.542 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.436 -8.092 -11.532 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.589 -7.155 -10.027 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.132 -6.988 -11.034 1.00 0.00 H new ATOM 1021 N VAL A 69 -7.281 -6.102 -7.984 1.00 0.00 N ATOM 1022 CA VAL A 69 -8.122 -5.179 -7.230 1.00 0.00 C ATOM 1023 C VAL A 69 -9.000 -4.350 -8.160 1.00 0.00 C ATOM 1024 O VAL A 69 -8.527 -3.816 -9.163 1.00 0.00 O ATOM 1025 CB VAL A 69 -7.275 -4.231 -6.360 1.00 0.00 C ATOM 1026 CG1 VAL A 69 -6.608 -4.997 -5.228 1.00 0.00 C ATOM 1027 CG2 VAL A 69 -6.240 -3.511 -7.211 1.00 0.00 C ATOM 0 H VAL A 69 -6.615 -5.650 -8.611 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.756 -5.785 -6.583 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.934 -3.483 -5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.014 -4.311 -4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.371 -5.462 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.960 -5.769 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.650 -2.845 -6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.583 -4.243 -7.681 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.744 -2.928 -7.982 1.00 0.00 H new ATOM 1037 N GLU A 70 -10.281 -4.247 -7.819 1.00 0.00 N ATOM 1038 CA GLU A 70 -11.225 -3.482 -8.625 1.00 0.00 C ATOM 1039 C GLU A 70 -11.557 -2.150 -7.957 1.00 0.00 C ATOM 1040 O GLU A 70 -11.855 -2.100 -6.764 1.00 0.00 O ATOM 1041 CB GLU A 70 -12.508 -4.286 -8.849 1.00 0.00 C ATOM 1042 CG GLU A 70 -13.505 -3.599 -9.766 1.00 0.00 C ATOM 1043 CD GLU A 70 -14.768 -4.414 -9.969 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -15.534 -4.572 -8.995 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -14.990 -4.892 -11.100 1.00 0.00 O ATOM 0 H GLU A 70 -10.688 -4.683 -6.992 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.759 -3.279 -9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.249 -5.257 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.982 -4.473 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.767 -2.627 -9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.037 -3.415 -10.733 1.00 0.00 H new ATOM 1052 N ILE A 71 -11.503 -1.075 -8.736 1.00 0.00 N ATOM 1053 CA ILE A 71 -11.798 0.256 -8.221 1.00 0.00 C ATOM 1054 C ILE A 71 -13.113 0.784 -8.783 1.00 0.00 C ATOM 1055 O ILE A 71 -13.348 0.735 -9.990 1.00 0.00 O ATOM 1056 CB ILE A 71 -10.672 1.252 -8.557 1.00 0.00 C ATOM 1057 CG1 ILE A 71 -9.322 0.710 -8.083 1.00 0.00 C ATOM 1058 CG2 ILE A 71 -10.957 2.606 -7.925 1.00 0.00 C ATOM 1059 CD1 ILE A 71 -8.161 1.629 -8.387 1.00 0.00 C ATOM 0 H ILE A 71 -11.258 -1.100 -9.726 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.880 0.164 -7.138 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.631 1.379 -9.639 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.366 0.538 -7.008 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.142 -0.257 -8.554 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.153 3.299 -8.171 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.901 2.995 -8.308 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -11.022 2.496 -6.843 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.237 1.180 -8.023 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.090 1.782 -9.464 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.318 2.588 -7.894 1.00 0.00 H new ATOM 1071 N SER A 72 -13.967 1.290 -7.899 1.00 0.00 N ATOM 1072 CA SER A 72 -15.261 1.826 -8.306 1.00 0.00 C ATOM 1073 C SER A 72 -15.372 3.306 -7.951 1.00 0.00 C ATOM 1074 O SER A 72 -15.145 3.700 -6.807 1.00 0.00 O ATOM 1075 CB SER A 72 -16.394 1.043 -7.640 1.00 0.00 C ATOM 1076 OG SER A 72 -16.680 -0.147 -8.354 1.00 0.00 O ATOM 0 H SER A 72 -13.786 1.340 -6.896 1.00 0.00 H new ATOM 0 HA SER A 72 -15.345 1.723 -9.388 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.117 0.798 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.288 1.664 -7.589 1.00 0.00 H new ATOM 0 HG SER A 72 -17.406 -0.630 -7.907 1.00 0.00 H new ATOM 1082 N HIS A 73 -15.724 4.121 -8.940 1.00 0.00 N ATOM 1083 CA HIS A 73 -15.866 5.558 -8.733 1.00 0.00 C ATOM 1084 C HIS A 73 -17.330 5.935 -8.530 1.00 0.00 C ATOM 1085 O HIS A 73 -18.240 5.304 -9.069 1.00 0.00 O ATOM 1086 CB HIS A 73 -15.291 6.325 -9.924 1.00 0.00 C ATOM 1087 CG HIS A 73 -13.811 6.156 -10.087 1.00 0.00 C ATOM 1088 ND1 HIS A 73 -12.889 6.998 -9.502 1.00 0.00 N ATOM 1089 CD2 HIS A 73 -13.096 5.235 -10.774 1.00 0.00 C ATOM 1090 CE1 HIS A 73 -11.670 6.602 -9.822 1.00 0.00 C ATOM 1091 NE2 HIS A 73 -11.768 5.534 -10.593 1.00 0.00 N ATOM 0 H HIS A 73 -15.916 3.811 -9.893 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.311 5.827 -7.834 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -15.789 5.992 -10.835 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -15.517 7.385 -9.806 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -13.113 7.801 -8.914 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -13.495 4.417 -11.356 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.750 7.072 -9.507 1.00 0.00 H new ATOM 1100 N PRO A 74 -17.566 6.987 -7.732 1.00 0.00 N ATOM 1101 CA PRO A 74 -18.918 7.471 -7.438 1.00 0.00 C ATOM 1102 C PRO A 74 -19.578 8.119 -8.651 1.00 0.00 C ATOM 1103 O PRO A 74 -20.796 8.288 -8.690 1.00 0.00 O ATOM 1104 CB PRO A 74 -18.692 8.508 -6.335 1.00 0.00 C ATOM 1105 CG PRO A 74 -17.290 8.973 -6.534 1.00 0.00 C ATOM 1106 CD PRO A 74 -16.530 7.785 -7.055 1.00 0.00 C ATOM 0 HA PRO A 74 -19.587 6.660 -7.149 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -19.399 9.334 -6.417 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.827 8.070 -5.346 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -17.250 9.802 -7.241 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -16.861 9.331 -5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.740 8.084 -7.743 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -16.056 7.226 -6.248 1.00 0.00 H new ATOM 1114 N ASP A 75 -18.765 8.478 -9.638 1.00 0.00 N ATOM 1115 CA ASP A 75 -19.271 9.106 -10.854 1.00 0.00 C ATOM 1116 C ASP A 75 -19.929 8.075 -11.765 1.00 0.00 C ATOM 1117 O ASP A 75 -21.000 8.315 -12.319 1.00 0.00 O ATOM 1118 CB ASP A 75 -18.137 9.813 -11.597 1.00 0.00 C ATOM 1119 CG ASP A 75 -18.648 10.801 -12.628 1.00 0.00 C ATOM 1120 OD1 ASP A 75 -19.294 10.361 -13.602 1.00 0.00 O ATOM 1121 OD2 ASP A 75 -18.402 12.014 -12.460 1.00 0.00 O ATOM 0 H ASP A 75 -17.754 8.345 -9.621 1.00 0.00 H new ATOM 0 HA ASP A 75 -20.022 9.842 -10.568 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.506 10.336 -10.878 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.510 9.070 -12.090 1.00 0.00 H new ATOM 1126 N GLY A 76 -19.277 6.925 -11.916 1.00 0.00 N ATOM 1127 CA GLY A 76 -19.813 5.875 -12.763 1.00 0.00 C ATOM 1128 C GLY A 76 -18.741 5.193 -13.589 1.00 0.00 C ATOM 1129 O GLY A 76 -18.992 4.767 -14.716 1.00 0.00 O ATOM 0 H GLY A 76 -18.388 6.702 -11.467 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -20.316 5.133 -12.143 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -20.566 6.298 -13.428 1.00 0.00 H new ATOM 1133 N LYS A 77 -17.541 5.090 -13.029 1.00 0.00 N ATOM 1134 CA LYS A 77 -16.425 4.455 -13.720 1.00 0.00 C ATOM 1135 C LYS A 77 -15.783 3.382 -12.847 1.00 0.00 C ATOM 1136 O LYS A 77 -15.887 3.421 -11.621 1.00 0.00 O ATOM 1137 CB LYS A 77 -15.380 5.501 -14.112 1.00 0.00 C ATOM 1138 CG LYS A 77 -14.500 5.076 -15.275 1.00 0.00 C ATOM 1139 CD LYS A 77 -15.233 5.194 -16.601 1.00 0.00 C ATOM 1140 CE LYS A 77 -15.206 6.621 -17.128 1.00 0.00 C ATOM 1141 NZ LYS A 77 -16.262 6.854 -18.152 1.00 0.00 N ATOM 0 H LYS A 77 -17.316 5.439 -12.097 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.812 3.980 -14.622 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.888 6.430 -14.372 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.749 5.713 -13.249 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.602 5.694 -15.298 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.174 4.046 -15.129 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.776 4.527 -17.331 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.266 4.870 -16.477 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.343 7.317 -16.300 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.228 6.830 -17.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.211 7.838 -18.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.117 6.208 -18.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.197 6.680 -17.732 1.00 0.00 H new ATOM 1155 N VAL A 78 -15.118 2.425 -13.486 1.00 0.00 N ATOM 1156 CA VAL A 78 -14.457 1.342 -12.767 1.00 0.00 C ATOM 1157 C VAL A 78 -13.085 1.045 -13.362 1.00 0.00 C ATOM 1158 O VAL A 78 -12.973 0.663 -14.526 1.00 0.00 O ATOM 1159 CB VAL A 78 -15.303 0.056 -12.787 1.00 0.00 C ATOM 1160 CG1 VAL A 78 -14.677 -1.009 -11.899 1.00 0.00 C ATOM 1161 CG2 VAL A 78 -16.731 0.351 -12.353 1.00 0.00 C ATOM 0 H VAL A 78 -15.023 2.377 -14.500 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.339 1.673 -11.735 1.00 0.00 H new ATOM 0 HB VAL A 78 -15.329 -0.325 -13.808 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.289 -1.911 -11.926 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.675 -1.240 -12.259 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.619 -0.640 -10.875 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -17.315 -0.569 -12.373 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -16.727 0.756 -11.341 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -17.175 1.077 -13.033 1.00 0.00 H new ATOM 1171 N GLU A 79 -12.044 1.221 -12.554 1.00 0.00 N ATOM 1172 CA GLU A 79 -10.679 0.971 -13.002 1.00 0.00 C ATOM 1173 C GLU A 79 -10.199 -0.402 -12.542 1.00 0.00 C ATOM 1174 O GLU A 79 -10.170 -0.694 -11.347 1.00 0.00 O ATOM 1175 CB GLU A 79 -9.739 2.056 -12.473 1.00 0.00 C ATOM 1176 CG GLU A 79 -9.605 3.252 -13.401 1.00 0.00 C ATOM 1177 CD GLU A 79 -9.217 4.520 -12.666 1.00 0.00 C ATOM 1178 OE1 GLU A 79 -8.514 4.419 -11.640 1.00 0.00 O ATOM 1179 OE2 GLU A 79 -9.617 5.614 -13.118 1.00 0.00 O ATOM 0 H GLU A 79 -12.120 1.535 -11.587 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.671 0.993 -14.092 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.102 2.398 -11.504 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.753 1.622 -12.309 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.856 3.034 -14.162 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.550 3.412 -13.920 1.00 0.00 H new ATOM 1186 N ASN A 80 -9.823 -1.242 -13.501 1.00 0.00 N ATOM 1187 CA ASN A 80 -9.345 -2.586 -13.196 1.00 0.00 C ATOM 1188 C ASN A 80 -7.820 -2.642 -13.231 1.00 0.00 C ATOM 1189 O ASN A 80 -7.202 -2.386 -14.265 1.00 0.00 O ATOM 1190 CB ASN A 80 -9.926 -3.594 -14.189 1.00 0.00 C ATOM 1191 CG ASN A 80 -10.044 -3.025 -15.589 1.00 0.00 C ATOM 1192 OD1 ASN A 80 -9.155 -3.207 -16.422 1.00 0.00 O ATOM 1193 ND2 ASN A 80 -11.144 -2.331 -15.855 1.00 0.00 N ATOM 0 H ASN A 80 -9.840 -1.016 -14.495 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.678 -2.844 -12.190 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.294 -4.482 -14.213 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.910 -3.912 -13.845 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.279 -1.923 -16.780 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.855 -2.205 -15.134 1.00 0.00 H new ATOM 1200 N LEU A 81 -7.220 -2.977 -12.094 1.00 0.00 N ATOM 1201 CA LEU A 81 -5.767 -3.068 -11.994 1.00 0.00 C ATOM 1202 C LEU A 81 -5.322 -4.517 -11.824 1.00 0.00 C ATOM 1203 O LEU A 81 -6.125 -5.389 -11.492 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.264 -2.227 -10.819 1.00 0.00 C ATOM 1205 CG LEU A 81 -5.629 -0.742 -10.852 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.320 -0.087 -9.515 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -4.888 -0.036 -11.978 1.00 0.00 C ATOM 0 H LEU A 81 -7.717 -3.190 -11.229 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.339 -2.682 -12.919 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.655 -2.656 -9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.178 -2.313 -10.775 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.700 -0.654 -11.037 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.586 0.969 -9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.896 -0.575 -8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.256 -0.185 -9.299 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.160 1.020 -11.987 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.813 -0.133 -11.823 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.159 -0.488 -12.932 1.00 0.00 H new ATOM 1219 N PHE A 82 -4.037 -4.766 -12.053 1.00 0.00 N ATOM 1220 CA PHE A 82 -3.485 -6.110 -11.924 1.00 0.00 C ATOM 1221 C PHE A 82 -2.059 -6.062 -11.382 1.00 0.00 C ATOM 1222 O PHE A 82 -1.384 -5.037 -11.472 1.00 0.00 O ATOM 1223 CB PHE A 82 -3.505 -6.824 -13.277 1.00 0.00 C ATOM 1224 CG PHE A 82 -4.809 -6.687 -14.008 1.00 0.00 C ATOM 1225 CD1 PHE A 82 -5.898 -7.470 -13.662 1.00 0.00 C ATOM 1226 CD2 PHE A 82 -4.947 -5.774 -15.041 1.00 0.00 C ATOM 1227 CE1 PHE A 82 -7.100 -7.346 -14.334 1.00 0.00 C ATOM 1228 CE2 PHE A 82 -6.146 -5.645 -15.716 1.00 0.00 C ATOM 1229 CZ PHE A 82 -7.224 -6.432 -15.361 1.00 0.00 C ATOM 0 H PHE A 82 -3.359 -4.056 -12.329 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.104 -6.665 -11.219 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.705 -6.426 -13.901 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.293 -7.882 -13.123 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.807 -8.186 -12.858 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.107 -5.156 -15.322 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.941 -7.964 -14.056 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.240 -4.930 -16.520 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.163 -6.332 -15.886 1.00 0.00 H new ATOM 1239 N MET A 83 -1.608 -7.178 -10.819 1.00 0.00 N ATOM 1240 CA MET A 83 -0.263 -7.264 -10.263 1.00 0.00 C ATOM 1241 C MET A 83 0.717 -6.428 -11.081 1.00 0.00 C ATOM 1242 O MET A 83 1.038 -6.767 -12.219 1.00 0.00 O ATOM 1243 CB MET A 83 0.203 -8.721 -10.221 1.00 0.00 C ATOM 1244 CG MET A 83 1.692 -8.875 -9.959 1.00 0.00 C ATOM 1245 SD MET A 83 2.293 -10.535 -10.326 1.00 0.00 S ATOM 1246 CE MET A 83 4.000 -10.401 -9.799 1.00 0.00 C ATOM 0 H MET A 83 -2.154 -8.035 -10.736 1.00 0.00 H new ATOM 0 HA MET A 83 -0.291 -6.870 -9.247 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.351 -9.249 -9.445 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.042 -9.200 -11.169 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.240 -8.152 -10.564 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.900 -8.640 -8.915 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.473 -11.382 -9.846 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.530 -9.710 -10.455 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.037 -10.029 -8.775 1.00 0.00 H new ATOM 1256 N GLY A 84 1.190 -5.333 -10.491 1.00 0.00 N ATOM 1257 CA GLY A 84 2.128 -4.466 -11.180 1.00 0.00 C ATOM 1258 C GLY A 84 1.757 -3.001 -11.063 1.00 0.00 C ATOM 1259 O GLY A 84 2.617 -2.127 -11.159 1.00 0.00 O ATOM 0 H GLY A 84 0.940 -5.032 -9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.127 -4.618 -10.771 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.169 -4.744 -12.233 1.00 0.00 H new ATOM 1263 N ASN A 85 0.471 -2.733 -10.858 1.00 0.00 N ATOM 1264 CA ASN A 85 -0.013 -1.363 -10.731 1.00 0.00 C ATOM 1265 C ASN A 85 0.339 -0.787 -9.363 1.00 0.00 C ATOM 1266 O ASN A 85 0.816 -1.501 -8.481 1.00 0.00 O ATOM 1267 CB ASN A 85 -1.527 -1.313 -10.943 1.00 0.00 C ATOM 1268 CG ASN A 85 -1.990 0.022 -11.494 1.00 0.00 C ATOM 1269 OD1 ASN A 85 -2.162 0.987 -10.749 1.00 0.00 O ATOM 1270 ND2 ASN A 85 -2.193 0.083 -12.805 1.00 0.00 N ATOM 0 H ASN A 85 -0.254 -3.446 -10.776 1.00 0.00 H new ATOM 0 HA ASN A 85 0.474 -0.759 -11.497 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.822 -2.108 -11.628 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.030 -1.506 -9.996 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.504 0.955 -13.233 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.038 -0.742 -13.384 1.00 0.00 H new ATOM 1277 N SER A 86 0.100 0.510 -9.193 1.00 0.00 N ATOM 1278 CA SER A 86 0.394 1.183 -7.934 1.00 0.00 C ATOM 1279 C SER A 86 -0.693 2.197 -7.593 1.00 0.00 C ATOM 1280 O SER A 86 -1.062 3.031 -8.421 1.00 0.00 O ATOM 1281 CB SER A 86 1.753 1.882 -8.010 1.00 0.00 C ATOM 1282 OG SER A 86 1.803 2.781 -9.104 1.00 0.00 O ATOM 0 H SER A 86 -0.297 1.115 -9.912 1.00 0.00 H new ATOM 0 HA SER A 86 0.424 0.430 -7.147 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.940 2.423 -7.082 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.543 1.138 -8.110 1.00 0.00 H new ATOM 0 HG SER A 86 0.913 3.161 -9.256 1.00 0.00 H new ATOM 1288 N PHE A 87 -1.203 2.120 -6.368 1.00 0.00 N ATOM 1289 CA PHE A 87 -2.249 3.029 -5.916 1.00 0.00 C ATOM 1290 C PHE A 87 -2.068 3.377 -4.442 1.00 0.00 C ATOM 1291 O PHE A 87 -1.485 2.608 -3.678 1.00 0.00 O ATOM 1292 CB PHE A 87 -3.628 2.405 -6.140 1.00 0.00 C ATOM 1293 CG PHE A 87 -3.910 1.236 -5.240 1.00 0.00 C ATOM 1294 CD1 PHE A 87 -4.167 1.429 -3.892 1.00 0.00 C ATOM 1295 CD2 PHE A 87 -3.918 -0.055 -5.742 1.00 0.00 C ATOM 1296 CE1 PHE A 87 -4.426 0.354 -3.062 1.00 0.00 C ATOM 1297 CE2 PHE A 87 -4.177 -1.133 -4.916 1.00 0.00 C ATOM 1298 CZ PHE A 87 -4.432 -0.928 -3.575 1.00 0.00 C ATOM 0 H PHE A 87 -0.908 1.437 -5.670 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.175 3.947 -6.499 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.392 3.166 -5.984 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.708 2.082 -7.178 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.165 2.430 -3.486 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.720 -0.221 -6.791 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.624 0.517 -2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.180 -2.135 -5.320 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.636 -1.769 -2.928 1.00 0.00 H new ATOM 1308 N GLY A 88 -2.573 4.542 -4.048 1.00 0.00 N ATOM 1309 CA GLY A 88 -2.457 4.972 -2.667 1.00 0.00 C ATOM 1310 C GLY A 88 -2.137 6.449 -2.544 1.00 0.00 C ATOM 1311 O GLY A 88 -3.035 7.272 -2.361 1.00 0.00 O ATOM 0 H GLY A 88 -3.060 5.196 -4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.390 4.761 -2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.677 4.392 -2.174 1.00 0.00 H new ATOM 1315 N ILE A 89 -0.856 6.785 -2.644 1.00 0.00 N ATOM 1316 CA ILE A 89 -0.421 8.173 -2.542 1.00 0.00 C ATOM 1317 C ILE A 89 0.731 8.460 -3.500 1.00 0.00 C ATOM 1318 O ILE A 89 1.233 7.558 -4.173 1.00 0.00 O ATOM 1319 CB ILE A 89 0.020 8.521 -1.108 1.00 0.00 C ATOM 1320 CG1 ILE A 89 1.276 7.733 -0.732 1.00 0.00 C ATOM 1321 CG2 ILE A 89 -1.105 8.237 -0.124 1.00 0.00 C ATOM 1322 CD1 ILE A 89 2.114 8.403 0.335 1.00 0.00 C ATOM 0 H ILE A 89 -0.101 6.116 -2.795 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.277 8.792 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 89 0.255 9.585 -1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.983 6.743 -0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.886 7.589 -1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.778 8.488 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.976 8.839 -0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.368 7.180 -0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.988 7.788 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.438 9.382 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.521 8.522 1.242 1.00 0.00 H new ATOM 1334 N THR A 90 1.147 9.721 -3.556 1.00 0.00 N ATOM 1335 CA THR A 90 2.240 10.127 -4.430 1.00 0.00 C ATOM 1336 C THR A 90 3.539 10.288 -3.649 1.00 0.00 C ATOM 1337 O THR A 90 3.541 10.438 -2.427 1.00 0.00 O ATOM 1338 CB THR A 90 1.920 11.450 -5.151 1.00 0.00 C ATOM 1339 OG1 THR A 90 1.064 12.258 -4.336 1.00 0.00 O ATOM 1340 CG2 THR A 90 1.253 11.188 -6.493 1.00 0.00 C ATOM 0 H THR A 90 0.743 10.479 -3.006 1.00 0.00 H new ATOM 0 HA THR A 90 2.362 9.337 -5.171 1.00 0.00 H new ATOM 0 HB THR A 90 2.857 11.978 -5.327 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.533 13.081 -4.085 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.037 12.137 -6.983 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.920 10.598 -7.122 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.324 10.640 -6.337 1.00 0.00 H new ATOM 1348 N PRO A 91 4.671 10.258 -4.368 1.00 0.00 N ATOM 1349 CA PRO A 91 5.998 10.400 -3.761 1.00 0.00 C ATOM 1350 C PRO A 91 6.249 11.812 -3.242 1.00 0.00 C ATOM 1351 O PRO A 91 7.323 12.110 -2.717 1.00 0.00 O ATOM 1352 CB PRO A 91 6.951 10.076 -4.914 1.00 0.00 C ATOM 1353 CG PRO A 91 6.178 10.397 -6.147 1.00 0.00 C ATOM 1354 CD PRO A 91 4.742 10.083 -5.828 1.00 0.00 C ATOM 0 HA PRO A 91 6.122 9.752 -2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 91 7.863 10.670 -4.853 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.251 9.028 -4.897 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.297 11.445 -6.420 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.528 9.805 -6.993 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.059 10.755 -6.347 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.477 9.068 -6.124 1.00 0.00 H new ATOM 1362 N THR A 92 5.253 12.679 -3.392 1.00 0.00 N ATOM 1363 CA THR A 92 5.366 14.060 -2.939 1.00 0.00 C ATOM 1364 C THR A 92 4.828 14.220 -1.522 1.00 0.00 C ATOM 1365 O THR A 92 3.756 13.710 -1.193 1.00 0.00 O ATOM 1366 CB THR A 92 4.610 15.022 -3.875 1.00 0.00 C ATOM 1367 OG1 THR A 92 3.205 14.753 -3.823 1.00 0.00 O ATOM 1368 CG2 THR A 92 5.105 14.885 -5.307 1.00 0.00 C ATOM 0 H THR A 92 4.358 12.449 -3.824 1.00 0.00 H new ATOM 0 HA THR A 92 6.427 14.311 -2.952 1.00 0.00 H new ATOM 0 HB THR A 92 4.797 16.042 -3.539 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.732 15.370 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.556 15.574 -5.949 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.169 15.119 -5.348 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.945 13.863 -5.651 1.00 0.00 H new ATOM 1376 N LEU A 93 5.577 14.931 -0.687 1.00 0.00 N ATOM 1377 CA LEU A 93 5.174 15.159 0.697 1.00 0.00 C ATOM 1378 C LEU A 93 3.686 15.480 0.785 1.00 0.00 C ATOM 1379 O LEU A 93 3.055 15.271 1.822 1.00 0.00 O ATOM 1380 CB LEU A 93 5.991 16.301 1.305 1.00 0.00 C ATOM 1381 CG LEU A 93 7.367 15.923 1.855 1.00 0.00 C ATOM 1382 CD1 LEU A 93 8.131 17.167 2.279 1.00 0.00 C ATOM 1383 CD2 LEU A 93 7.228 14.956 3.022 1.00 0.00 C ATOM 0 H LEU A 93 6.466 15.360 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 93 5.363 14.245 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.125 17.070 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.410 16.748 2.112 1.00 0.00 H new ATOM 0 HG LEU A 93 7.930 15.427 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.108 16.879 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.262 17.824 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.572 17.691 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.217 14.698 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.647 15.425 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.721 14.051 2.687 1.00 0.00 H new ATOM 1395 N ASP A 94 3.130 15.987 -0.310 1.00 0.00 N ATOM 1396 CA ASP A 94 1.714 16.334 -0.358 1.00 0.00 C ATOM 1397 C ASP A 94 0.845 15.115 -0.063 1.00 0.00 C ATOM 1398 O ASP A 94 1.270 13.975 -0.255 1.00 0.00 O ATOM 1399 CB ASP A 94 1.355 16.911 -1.728 1.00 0.00 C ATOM 1400 CG ASP A 94 0.208 17.900 -1.657 1.00 0.00 C ATOM 1401 OD1 ASP A 94 0.360 18.937 -0.979 1.00 0.00 O ATOM 1402 OD2 ASP A 94 -0.843 17.636 -2.279 1.00 0.00 O ATOM 0 H ASP A 94 3.638 16.167 -1.176 1.00 0.00 H new ATOM 0 HA ASP A 94 1.524 17.087 0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.230 17.404 -2.152 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.088 16.098 -2.403 1.00 0.00 H new ATOM 1407 N LYS A 95 -0.373 15.363 0.407 1.00 0.00 N ATOM 1408 CA LYS A 95 -1.302 14.287 0.730 1.00 0.00 C ATOM 1409 C LYS A 95 -2.326 14.100 -0.386 1.00 0.00 C ATOM 1410 O LYS A 95 -2.470 14.956 -1.257 1.00 0.00 O ATOM 1411 CB LYS A 95 -2.019 14.583 2.049 1.00 0.00 C ATOM 1412 CG LYS A 95 -1.201 14.224 3.278 1.00 0.00 C ATOM 1413 CD LYS A 95 -0.210 15.322 3.628 1.00 0.00 C ATOM 1414 CE LYS A 95 -0.884 16.464 4.374 1.00 0.00 C ATOM 1415 NZ LYS A 95 -1.483 17.458 3.442 1.00 0.00 N ATOM 0 H LYS A 95 -0.740 16.300 0.573 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.730 13.365 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.270 15.643 2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.959 14.031 2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.868 14.052 4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.665 13.292 3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.591 14.909 4.240 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.250 15.703 2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.660 16.064 5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.155 16.960 5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.348 18.416 3.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.020 17.386 2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.500 17.267 3.338 1.00 0.00 H new ATOM 1429 N GLN A 96 -3.034 12.975 -0.350 1.00 0.00 N ATOM 1430 CA GLN A 96 -4.044 12.677 -1.358 1.00 0.00 C ATOM 1431 C GLN A 96 -5.189 11.868 -0.759 1.00 0.00 C ATOM 1432 O GLN A 96 -4.986 11.071 0.158 1.00 0.00 O ATOM 1433 CB GLN A 96 -3.420 11.912 -2.526 1.00 0.00 C ATOM 1434 CG GLN A 96 -2.366 12.707 -3.280 1.00 0.00 C ATOM 1435 CD GLN A 96 -1.077 12.857 -2.496 1.00 0.00 C ATOM 1436 OE1 GLN A 96 -0.560 13.963 -2.335 1.00 0.00 O ATOM 1437 NE2 GLN A 96 -0.550 11.742 -2.004 1.00 0.00 N ATOM 0 H GLN A 96 -2.927 12.256 0.366 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.444 13.622 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.970 10.994 -2.149 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.208 11.619 -3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.154 12.214 -4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.761 13.695 -3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.012 10.847 -2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.317 11.781 -1.468 1.00 0.00 H new ATOM 1446 N TYR A 97 -6.392 12.077 -1.282 1.00 0.00 N ATOM 1447 CA TYR A 97 -7.570 11.368 -0.796 1.00 0.00 C ATOM 1448 C TYR A 97 -8.075 10.373 -1.836 1.00 0.00 C ATOM 1449 O TYR A 97 -7.936 10.592 -3.039 1.00 0.00 O ATOM 1450 CB TYR A 97 -8.679 12.361 -0.443 1.00 0.00 C ATOM 1451 CG TYR A 97 -8.465 13.064 0.878 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -7.256 13.685 1.169 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -9.471 13.107 1.836 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -7.056 14.328 2.375 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -9.280 13.749 3.044 1.00 0.00 C ATOM 1456 CZ TYR A 97 -8.070 14.357 3.309 1.00 0.00 C ATOM 1457 OH TYR A 97 -7.876 14.996 4.512 1.00 0.00 O ATOM 0 H TYR A 97 -6.577 12.731 -2.042 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.286 10.816 0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.752 13.107 -1.234 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.632 11.833 -0.414 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.460 13.664 0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -10.418 12.630 1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.110 14.806 2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.073 13.775 3.777 1.00 0.00 H new ATOM 0 HH TYR A 97 -8.689 14.925 5.055 1.00 0.00 H new ATOM 1467 N MET A 98 -8.663 9.279 -1.363 1.00 0.00 N ATOM 1468 CA MET A 98 -9.191 8.251 -2.252 1.00 0.00 C ATOM 1469 C MET A 98 -10.349 8.792 -3.083 1.00 0.00 C ATOM 1470 O MET A 98 -11.417 9.099 -2.553 1.00 0.00 O ATOM 1471 CB MET A 98 -9.652 7.036 -1.444 1.00 0.00 C ATOM 1472 CG MET A 98 -9.611 5.734 -2.227 1.00 0.00 C ATOM 1473 SD MET A 98 -10.080 5.947 -3.954 1.00 0.00 S ATOM 1474 CE MET A 98 -9.134 4.637 -4.726 1.00 0.00 C ATOM 0 H MET A 98 -8.786 9.082 -0.370 1.00 0.00 H new ATOM 0 HA MET A 98 -8.393 7.947 -2.929 1.00 0.00 H new ATOM 0 HB2 MET A 98 -9.023 6.938 -0.559 1.00 0.00 H new ATOM 0 HB3 MET A 98 -10.670 7.208 -1.094 1.00 0.00 H new ATOM 0 HG2 MET A 98 -8.606 5.316 -2.177 1.00 0.00 H new ATOM 0 HG3 MET A 98 -10.280 5.012 -1.759 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.424 5.068 -5.432 1.00 0.00 H new ATOM 0 HE2 MET A 98 -8.593 4.080 -3.961 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.809 3.964 -5.256 1.00 0.00 H new ATOM 1484 N HIS A 99 -10.130 8.909 -4.389 1.00 0.00 N ATOM 1485 CA HIS A 99 -11.157 9.414 -5.294 1.00 0.00 C ATOM 1486 C HIS A 99 -12.112 8.299 -5.708 1.00 0.00 C ATOM 1487 O HIS A 99 -12.558 8.244 -6.854 1.00 0.00 O ATOM 1488 CB HIS A 99 -10.513 10.036 -6.533 1.00 0.00 C ATOM 1489 CG HIS A 99 -11.301 11.171 -7.112 1.00 0.00 C ATOM 1490 ND1 HIS A 99 -11.635 11.251 -8.448 1.00 0.00 N ATOM 1491 CD2 HIS A 99 -11.824 12.274 -6.528 1.00 0.00 C ATOM 1492 CE1 HIS A 99 -12.327 12.356 -8.661 1.00 0.00 C ATOM 1493 NE2 HIS A 99 -12.456 12.995 -7.512 1.00 0.00 N ATOM 0 H HIS A 99 -9.251 8.661 -4.844 1.00 0.00 H new ATOM 0 HA HIS A 99 -11.727 10.179 -4.767 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.516 10.392 -6.274 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -10.389 9.265 -7.294 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -11.757 12.538 -5.483 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -12.720 12.682 -9.613 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -12.945 13.880 -7.377 1.00 0.00 H new ATOM 1502 N GLY A 100 -12.422 7.411 -4.768 1.00 0.00 N ATOM 1503 CA GLY A 100 -13.322 6.309 -5.055 1.00 0.00 C ATOM 1504 C GLY A 100 -13.243 5.210 -4.014 1.00 0.00 C ATOM 1505 O GLY A 100 -12.752 5.430 -2.907 1.00 0.00 O ATOM 0 H GLY A 100 -12.066 7.435 -3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.344 6.683 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -13.084 5.895 -6.035 1.00 0.00 H new ATOM 1509 N ILE A 101 -13.730 4.026 -4.369 1.00 0.00 N ATOM 1510 CA ILE A 101 -13.712 2.889 -3.457 1.00 0.00 C ATOM 1511 C ILE A 101 -13.021 1.686 -4.090 1.00 0.00 C ATOM 1512 O ILE A 101 -13.414 1.224 -5.161 1.00 0.00 O ATOM 1513 CB ILE A 101 -15.137 2.485 -3.034 1.00 0.00 C ATOM 1514 CG1 ILE A 101 -15.838 3.654 -2.340 1.00 0.00 C ATOM 1515 CG2 ILE A 101 -15.094 1.269 -2.122 1.00 0.00 C ATOM 1516 CD1 ILE A 101 -17.334 3.472 -2.212 1.00 0.00 C ATOM 0 H ILE A 101 -14.142 3.829 -5.281 1.00 0.00 H new ATOM 0 HA ILE A 101 -13.154 3.201 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 101 -15.705 2.225 -3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -15.410 3.785 -1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -15.638 4.569 -2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -16.109 0.996 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -14.630 0.435 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -14.512 1.503 -1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -17.764 4.339 -1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.774 3.371 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.543 2.575 -1.629 1.00 0.00 H new ATOM 1528 N VAL A 102 -11.991 1.182 -3.419 1.00 0.00 N ATOM 1529 CA VAL A 102 -11.246 0.030 -3.913 1.00 0.00 C ATOM 1530 C VAL A 102 -11.708 -1.255 -3.237 1.00 0.00 C ATOM 1531 O VAL A 102 -11.976 -1.274 -2.035 1.00 0.00 O ATOM 1532 CB VAL A 102 -9.732 0.201 -3.686 1.00 0.00 C ATOM 1533 CG1 VAL A 102 -8.958 -0.894 -4.403 1.00 0.00 C ATOM 1534 CG2 VAL A 102 -9.276 1.577 -4.149 1.00 0.00 C ATOM 0 H VAL A 102 -11.653 1.553 -2.531 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.440 -0.036 -4.983 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.531 0.116 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.890 -0.757 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.265 -1.867 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.163 -0.844 -5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.204 1.681 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.490 1.693 -5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.807 2.345 -3.586 1.00 0.00 H new ATOM 1544 N ARG A 103 -11.799 -2.328 -4.016 1.00 0.00 N ATOM 1545 CA ARG A 103 -12.230 -3.618 -3.492 1.00 0.00 C ATOM 1546 C ARG A 103 -11.556 -4.763 -4.244 1.00 0.00 C ATOM 1547 O ARG A 103 -11.539 -4.787 -5.475 1.00 0.00 O ATOM 1548 CB ARG A 103 -13.750 -3.753 -3.595 1.00 0.00 C ATOM 1549 CG ARG A 103 -14.497 -3.131 -2.426 1.00 0.00 C ATOM 1550 CD ARG A 103 -15.911 -3.679 -2.314 1.00 0.00 C ATOM 1551 NE ARG A 103 -16.867 -2.888 -3.085 1.00 0.00 N ATOM 1552 CZ ARG A 103 -18.117 -3.270 -3.319 1.00 0.00 C ATOM 1553 NH1 ARG A 103 -18.561 -4.426 -2.844 1.00 0.00 N ATOM 1554 NH2 ARG A 103 -18.927 -2.495 -4.029 1.00 0.00 N ATOM 0 H ARG A 103 -11.580 -2.329 -5.012 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.937 -3.671 -2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.086 -3.285 -4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -14.009 -4.810 -3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.955 -3.327 -1.501 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -14.534 -2.049 -2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -15.929 -4.711 -2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -16.213 -3.692 -1.267 1.00 0.00 H new ATOM 0 HE ARG A 103 -16.557 -1.993 -3.464 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -17.942 -5.024 -2.297 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -19.522 -4.717 -3.025 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -18.590 -1.605 -4.396 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -19.887 -2.789 -4.208 1.00 0.00 H new ATOM 1568 N THR A 104 -10.999 -5.709 -3.494 1.00 0.00 N ATOM 1569 CA THR A 104 -10.322 -6.855 -4.088 1.00 0.00 C ATOM 1570 C THR A 104 -11.281 -7.680 -4.938 1.00 0.00 C ATOM 1571 O THR A 104 -12.492 -7.668 -4.716 1.00 0.00 O ATOM 1572 CB THR A 104 -9.700 -7.761 -3.009 1.00 0.00 C ATOM 1573 OG1 THR A 104 -10.642 -7.984 -1.954 1.00 0.00 O ATOM 1574 CG2 THR A 104 -8.434 -7.137 -2.442 1.00 0.00 C ATOM 0 H THR A 104 -11.004 -5.704 -2.474 1.00 0.00 H new ATOM 0 HA THR A 104 -9.528 -6.460 -4.722 1.00 0.00 H new ATOM 0 HB THR A 104 -9.441 -8.713 -3.471 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.353 -7.503 -1.151 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.013 -7.795 -1.682 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.708 -6.996 -3.243 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.673 -6.172 -1.995 1.00 0.00 H new ATOM 1582 N LYS A 105 -10.733 -8.398 -5.913 1.00 0.00 N ATOM 1583 CA LYS A 105 -11.539 -9.232 -6.796 1.00 0.00 C ATOM 1584 C LYS A 105 -11.415 -10.704 -6.418 1.00 0.00 C ATOM 1585 O LYS A 105 -12.285 -11.514 -6.739 1.00 0.00 O ATOM 1586 CB LYS A 105 -11.111 -9.031 -8.252 1.00 0.00 C ATOM 1587 CG LYS A 105 -11.679 -7.772 -8.884 1.00 0.00 C ATOM 1588 CD LYS A 105 -13.015 -8.040 -9.557 1.00 0.00 C ATOM 1589 CE LYS A 105 -12.851 -8.908 -10.795 1.00 0.00 C ATOM 1590 NZ LYS A 105 -12.971 -10.358 -10.476 1.00 0.00 N ATOM 0 H LYS A 105 -9.733 -8.419 -6.111 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.581 -8.933 -6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.023 -8.993 -8.300 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.426 -9.895 -8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.803 -7.004 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.973 -7.381 -9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.686 -8.532 -8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.481 -7.094 -9.834 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.606 -8.635 -11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.878 -8.715 -11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.089 -10.845 -10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.145 -10.476 -9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.763 -10.767 -11.012 1.00 0.00 H new ATOM 1604 N VAL A 106 -10.328 -11.045 -5.731 1.00 0.00 N ATOM 1605 CA VAL A 106 -10.092 -12.419 -5.307 1.00 0.00 C ATOM 1606 C VAL A 106 -9.544 -12.468 -3.885 1.00 0.00 C ATOM 1607 O VAL A 106 -9.238 -11.435 -3.290 1.00 0.00 O ATOM 1608 CB VAL A 106 -9.107 -13.136 -6.249 1.00 0.00 C ATOM 1609 CG1 VAL A 106 -9.544 -12.981 -7.697 1.00 0.00 C ATOM 1610 CG2 VAL A 106 -7.696 -12.604 -6.050 1.00 0.00 C ATOM 0 H VAL A 106 -9.598 -10.388 -5.457 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.054 -12.931 -5.341 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.108 -14.199 -6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.836 -13.494 -8.348 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.536 -13.415 -7.826 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.574 -11.923 -7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.013 -13.122 -6.724 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.676 -11.536 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.386 -12.773 -5.019 1.00 0.00 H new ATOM 1620 N ASP A 107 -9.424 -13.676 -3.345 1.00 0.00 N ATOM 1621 CA ASP A 107 -8.911 -13.861 -1.992 1.00 0.00 C ATOM 1622 C ASP A 107 -7.403 -14.088 -2.008 1.00 0.00 C ATOM 1623 O ASP A 107 -6.790 -14.175 -3.072 1.00 0.00 O ATOM 1624 CB ASP A 107 -9.610 -15.042 -1.316 1.00 0.00 C ATOM 1625 CG ASP A 107 -9.595 -16.292 -2.174 1.00 0.00 C ATOM 1626 OD1 ASP A 107 -10.513 -16.452 -3.006 1.00 0.00 O ATOM 1627 OD2 ASP A 107 -8.665 -17.109 -2.015 1.00 0.00 O ATOM 0 H ASP A 107 -9.675 -14.541 -3.823 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.117 -12.953 -1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.123 -15.252 -0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.642 -14.770 -1.093 1.00 0.00 H new ATOM 1632 N ASP A 108 -6.812 -14.183 -0.822 1.00 0.00 N ATOM 1633 CA ASP A 108 -5.375 -14.400 -0.700 1.00 0.00 C ATOM 1634 C ASP A 108 -4.598 -13.359 -1.500 1.00 0.00 C ATOM 1635 O ASP A 108 -3.605 -13.679 -2.155 1.00 0.00 O ATOM 1636 CB ASP A 108 -5.007 -15.806 -1.176 1.00 0.00 C ATOM 1637 CG ASP A 108 -5.200 -16.852 -0.096 1.00 0.00 C ATOM 1638 OD1 ASP A 108 -6.198 -16.759 0.649 1.00 0.00 O ATOM 1639 OD2 ASP A 108 -4.353 -17.764 0.003 1.00 0.00 O ATOM 0 H ASP A 108 -7.305 -14.113 0.068 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.106 -14.299 0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.617 -16.065 -2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.968 -15.815 -1.505 1.00 0.00 H new ATOM 1644 N CYS A 109 -5.057 -12.114 -1.444 1.00 0.00 N ATOM 1645 CA CYS A 109 -4.406 -11.025 -2.165 1.00 0.00 C ATOM 1646 C CYS A 109 -3.321 -10.379 -1.310 1.00 0.00 C ATOM 1647 O CYS A 109 -3.558 -10.020 -0.157 1.00 0.00 O ATOM 1648 CB CYS A 109 -5.436 -9.975 -2.583 1.00 0.00 C ATOM 1649 SG CYS A 109 -6.370 -10.408 -4.070 1.00 0.00 S ATOM 0 H CYS A 109 -5.877 -11.833 -0.907 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.939 -11.441 -3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.134 -9.819 -1.761 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -4.925 -9.027 -2.751 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.551 -10.833 -3.732 1.00 0.00 H new ATOM 1655 N GLN A 110 -2.130 -10.236 -1.883 1.00 0.00 N ATOM 1656 CA GLN A 110 -1.008 -9.635 -1.172 1.00 0.00 C ATOM 1657 C GLN A 110 -0.888 -8.150 -1.500 1.00 0.00 C ATOM 1658 O GLN A 110 -0.987 -7.750 -2.660 1.00 0.00 O ATOM 1659 CB GLN A 110 0.294 -10.354 -1.530 1.00 0.00 C ATOM 1660 CG GLN A 110 0.478 -11.675 -0.800 1.00 0.00 C ATOM 1661 CD GLN A 110 1.312 -12.666 -1.589 1.00 0.00 C ATOM 1662 OE1 GLN A 110 2.539 -12.566 -1.633 1.00 0.00 O ATOM 1663 NE2 GLN A 110 0.650 -13.629 -2.218 1.00 0.00 N ATOM 0 H GLN A 110 -1.918 -10.528 -2.837 1.00 0.00 H new ATOM 0 HA GLN A 110 -1.191 -9.739 -0.103 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.316 -10.536 -2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.136 -9.701 -1.300 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.954 -11.490 0.163 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -0.499 -12.111 -0.594 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -0.367 -13.674 -2.154 1.00 0.00 H new ATOM 0 HE22 GLN A 110 1.158 -14.324 -2.765 1.00 0.00 H new ATOM 1672 N PHE A 111 -0.676 -7.337 -0.470 1.00 0.00 N ATOM 1673 CA PHE A 111 -0.544 -5.896 -0.648 1.00 0.00 C ATOM 1674 C PHE A 111 0.565 -5.337 0.239 1.00 0.00 C ATOM 1675 O PHE A 111 0.750 -5.779 1.373 1.00 0.00 O ATOM 1676 CB PHE A 111 -1.868 -5.198 -0.329 1.00 0.00 C ATOM 1677 CG PHE A 111 -2.990 -5.594 -1.246 1.00 0.00 C ATOM 1678 CD1 PHE A 111 -2.976 -5.221 -2.580 1.00 0.00 C ATOM 1679 CD2 PHE A 111 -4.058 -6.339 -0.773 1.00 0.00 C ATOM 1680 CE1 PHE A 111 -4.008 -5.584 -3.426 1.00 0.00 C ATOM 1681 CE2 PHE A 111 -5.093 -6.705 -1.614 1.00 0.00 C ATOM 1682 CZ PHE A 111 -5.067 -6.327 -2.942 1.00 0.00 C ATOM 0 H PHE A 111 -0.592 -7.652 0.497 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.282 -5.706 -1.689 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.151 -5.426 0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.724 -4.119 -0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.150 -4.640 -2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.083 -6.637 0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -3.986 -5.287 -4.464 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.920 -7.285 -1.233 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.874 -6.612 -3.601 1.00 0.00 H new ATOM 1692 N VAL A 112 1.301 -4.363 -0.286 1.00 0.00 N ATOM 1693 CA VAL A 112 2.391 -3.743 0.457 1.00 0.00 C ATOM 1694 C VAL A 112 2.113 -2.266 0.711 1.00 0.00 C ATOM 1695 O VAL A 112 1.545 -1.576 -0.137 1.00 0.00 O ATOM 1696 CB VAL A 112 3.730 -3.880 -0.292 1.00 0.00 C ATOM 1697 CG1 VAL A 112 3.687 -3.117 -1.607 1.00 0.00 C ATOM 1698 CG2 VAL A 112 4.879 -3.394 0.578 1.00 0.00 C ATOM 0 H VAL A 112 1.162 -3.986 -1.224 1.00 0.00 H new ATOM 0 HA VAL A 112 2.461 -4.266 1.411 1.00 0.00 H new ATOM 0 HB VAL A 112 3.895 -4.934 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.642 -3.225 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 112 2.889 -3.516 -2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.499 -2.062 -1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.817 -3.498 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.723 -2.346 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 112 4.921 -3.989 1.490 1.00 0.00 H new ATOM 1708 N CYS A 113 2.516 -1.787 1.883 1.00 0.00 N ATOM 1709 CA CYS A 113 2.309 -0.390 2.250 1.00 0.00 C ATOM 1710 C CYS A 113 3.640 0.300 2.531 1.00 0.00 C ATOM 1711 O CYS A 113 4.595 -0.332 2.983 1.00 0.00 O ATOM 1712 CB CYS A 113 1.401 -0.292 3.476 1.00 0.00 C ATOM 1713 SG CYS A 113 -0.176 -1.160 3.298 1.00 0.00 S ATOM 0 H CYS A 113 2.988 -2.345 2.595 1.00 0.00 H new ATOM 0 HA CYS A 113 1.829 0.114 1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.930 -0.695 4.340 1.00 0.00 H new ATOM 0 HB3 CYS A 113 1.203 0.759 3.685 1.00 0.00 H new ATOM 0 HG CYS A 113 -1.035 -0.383 2.708 1.00 0.00 H new ATOM 1719 N ILE A 114 3.695 1.600 2.258 1.00 0.00 N ATOM 1720 CA ILE A 114 4.909 2.375 2.481 1.00 0.00 C ATOM 1721 C ILE A 114 4.579 3.793 2.938 1.00 0.00 C ATOM 1722 O ILE A 114 3.912 4.545 2.229 1.00 0.00 O ATOM 1723 CB ILE A 114 5.774 2.446 1.209 1.00 0.00 C ATOM 1724 CG1 ILE A 114 6.266 1.050 0.822 1.00 0.00 C ATOM 1725 CG2 ILE A 114 6.949 3.389 1.420 1.00 0.00 C ATOM 1726 CD1 ILE A 114 6.638 0.924 -0.638 1.00 0.00 C ATOM 0 H ILE A 114 2.914 2.138 1.883 1.00 0.00 H new ATOM 0 HA ILE A 114 5.470 1.864 3.263 1.00 0.00 H new ATOM 0 HB ILE A 114 5.164 2.834 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.133 0.797 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 114 5.489 0.322 1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.551 3.429 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.577 4.387 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.561 3.028 2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.978 -0.092 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.768 1.145 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.437 1.627 -0.872 1.00 0.00 H new ATOM 1738 N ALA A 115 5.053 4.151 4.127 1.00 0.00 N ATOM 1739 CA ALA A 115 4.812 5.479 4.677 1.00 0.00 C ATOM 1740 C ALA A 115 5.185 6.564 3.673 1.00 0.00 C ATOM 1741 O ALA A 115 6.105 6.393 2.874 1.00 0.00 O ATOM 1742 CB ALA A 115 5.591 5.664 5.971 1.00 0.00 C ATOM 0 H ALA A 115 5.606 3.540 4.728 1.00 0.00 H new ATOM 0 HA ALA A 115 3.747 5.569 4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.401 6.660 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.274 4.915 6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.657 5.549 5.774 1.00 0.00 H new ATOM 1748 N GLN A 116 4.464 7.680 3.720 1.00 0.00 N ATOM 1749 CA GLN A 116 4.720 8.793 2.813 1.00 0.00 C ATOM 1750 C GLN A 116 6.095 9.400 3.070 1.00 0.00 C ATOM 1751 O GLN A 116 6.941 9.444 2.177 1.00 0.00 O ATOM 1752 CB GLN A 116 3.639 9.864 2.968 1.00 0.00 C ATOM 1753 CG GLN A 116 4.102 11.258 2.577 1.00 0.00 C ATOM 1754 CD GLN A 116 2.976 12.118 2.039 1.00 0.00 C ATOM 1755 OE1 GLN A 116 2.497 11.908 0.925 1.00 0.00 O ATOM 1756 NE2 GLN A 116 2.546 13.094 2.831 1.00 0.00 N ATOM 0 H GLN A 116 3.699 7.837 4.376 1.00 0.00 H new ATOM 0 HA GLN A 116 4.698 8.410 1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.779 9.591 2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.301 9.880 4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 116 4.544 11.747 3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.885 11.178 1.823 1.00 0.00 H new ATOM 0 HE21 GLN A 116 2.972 13.232 3.747 1.00 0.00 H new ATOM 0 HE22 GLN A 116 1.790 13.705 2.523 1.00 0.00 H new ATOM 1765 N GLN A 117 6.310 9.868 4.295 1.00 0.00 N ATOM 1766 CA GLN A 117 7.582 10.474 4.669 1.00 0.00 C ATOM 1767 C GLN A 117 8.751 9.707 4.058 1.00 0.00 C ATOM 1768 O GLN A 117 9.642 10.298 3.448 1.00 0.00 O ATOM 1769 CB GLN A 117 7.724 10.516 6.191 1.00 0.00 C ATOM 1770 CG GLN A 117 7.042 11.714 6.833 1.00 0.00 C ATOM 1771 CD GLN A 117 7.398 13.021 6.154 1.00 0.00 C ATOM 1772 OE1 GLN A 117 6.544 13.886 5.959 1.00 0.00 O ATOM 1773 NE2 GLN A 117 8.666 13.173 5.789 1.00 0.00 N ATOM 0 H GLN A 117 5.620 9.839 5.045 1.00 0.00 H new ATOM 0 HA GLN A 117 7.598 11.493 4.282 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.306 9.602 6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 117 8.783 10.530 6.449 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.962 11.574 6.799 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.323 11.767 7.885 1.00 0.00 H new ATOM 0 HE21 GLN A 117 9.341 12.430 5.970 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.964 14.032 5.328 1.00 0.00 H new ATOM 1782 N ASP A 118 8.740 8.390 4.227 1.00 0.00 N ATOM 1783 CA ASP A 118 9.798 7.542 3.692 1.00 0.00 C ATOM 1784 C ASP A 118 9.735 7.490 2.169 1.00 0.00 C ATOM 1785 O ASP A 118 10.766 7.487 1.495 1.00 0.00 O ATOM 1786 CB ASP A 118 9.689 6.129 4.268 1.00 0.00 C ATOM 1787 CG ASP A 118 10.249 6.031 5.673 1.00 0.00 C ATOM 1788 OD1 ASP A 118 11.488 6.078 5.822 1.00 0.00 O ATOM 1789 OD2 ASP A 118 9.449 5.908 6.623 1.00 0.00 O ATOM 0 H ASP A 118 8.010 7.886 4.730 1.00 0.00 H new ATOM 0 HA ASP A 118 10.756 7.972 3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.643 5.822 4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.221 5.433 3.619 1.00 0.00 H new ATOM 1794 N TYR A 119 8.521 7.449 1.633 1.00 0.00 N ATOM 1795 CA TYR A 119 8.323 7.393 0.190 1.00 0.00 C ATOM 1796 C TYR A 119 8.884 8.642 -0.485 1.00 0.00 C ATOM 1797 O TYR A 119 9.215 8.624 -1.670 1.00 0.00 O ATOM 1798 CB TYR A 119 6.836 7.247 -0.138 1.00 0.00 C ATOM 1799 CG TYR A 119 6.567 6.894 -1.583 1.00 0.00 C ATOM 1800 CD1 TYR A 119 7.333 5.939 -2.240 1.00 0.00 C ATOM 1801 CD2 TYR A 119 5.547 7.516 -2.292 1.00 0.00 C ATOM 1802 CE1 TYR A 119 7.090 5.613 -3.560 1.00 0.00 C ATOM 1803 CE2 TYR A 119 5.296 7.196 -3.612 1.00 0.00 C ATOM 1804 CZ TYR A 119 6.071 6.244 -4.242 1.00 0.00 C ATOM 1805 OH TYR A 119 5.826 5.923 -5.558 1.00 0.00 O ATOM 0 H TYR A 119 7.658 7.453 2.177 1.00 0.00 H new ATOM 0 HA TYR A 119 8.859 6.523 -0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 119 6.405 6.477 0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 119 6.327 8.181 0.100 1.00 0.00 H new ATOM 0 HD1 TYR A 119 8.132 5.443 -1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 119 4.940 8.263 -1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 119 7.695 4.868 -4.055 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.498 7.688 -4.148 1.00 0.00 H new ATOM 0 HH TYR A 119 5.288 5.105 -5.600 1.00 0.00 H new ATOM 1815 N TRP A 120 8.986 9.723 0.279 1.00 0.00 N ATOM 1816 CA TRP A 120 9.507 10.982 -0.243 1.00 0.00 C ATOM 1817 C TRP A 120 10.959 11.185 0.174 1.00 0.00 C ATOM 1818 O TRP A 120 11.552 12.230 -0.096 1.00 0.00 O ATOM 1819 CB TRP A 120 8.653 12.153 0.246 1.00 0.00 C ATOM 1820 CG TRP A 120 9.297 13.489 0.028 1.00 0.00 C ATOM 1821 CD1 TRP A 120 9.306 14.215 -1.129 1.00 0.00 C ATOM 1822 CD2 TRP A 120 10.027 14.256 0.991 1.00 0.00 C ATOM 1823 NE1 TRP A 120 9.997 15.388 -0.942 1.00 0.00 N ATOM 1824 CE2 TRP A 120 10.449 15.437 0.350 1.00 0.00 C ATOM 1825 CE3 TRP A 120 10.364 14.061 2.333 1.00 0.00 C ATOM 1826 CZ2 TRP A 120 11.190 16.416 1.006 1.00 0.00 C ATOM 1827 CZ3 TRP A 120 11.100 15.034 2.983 1.00 0.00 C ATOM 1828 CH2 TRP A 120 11.506 16.199 2.320 1.00 0.00 C ATOM 0 H TRP A 120 8.715 9.754 1.262 1.00 0.00 H new ATOM 0 HA TRP A 120 9.464 10.941 -1.331 1.00 0.00 H new ATOM 0 HB2 TRP A 120 7.692 12.132 -0.268 1.00 0.00 H new ATOM 0 HB3 TRP A 120 8.448 12.025 1.309 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.839 13.912 -2.054 1.00 0.00 H new ATOM 0 HE1 TRP A 120 10.149 16.106 -1.651 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.055 13.166 2.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 11.504 17.315 0.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 11.367 14.893 4.020 1.00 0.00 H new ATOM 0 HH2 TRP A 120 12.080 16.941 2.856 1.00 0.00 H new ATOM 1839 N ARG A 121 11.527 10.181 0.834 1.00 0.00 N ATOM 1840 CA ARG A 121 12.910 10.251 1.290 1.00 0.00 C ATOM 1841 C ARG A 121 13.823 9.433 0.382 1.00 0.00 C ATOM 1842 O ARG A 121 15.013 9.725 0.256 1.00 0.00 O ATOM 1843 CB ARG A 121 13.021 9.748 2.730 1.00 0.00 C ATOM 1844 CG ARG A 121 14.430 9.336 3.124 1.00 0.00 C ATOM 1845 CD ARG A 121 14.517 8.997 4.604 1.00 0.00 C ATOM 1846 NE ARG A 121 14.230 10.153 5.449 1.00 0.00 N ATOM 1847 CZ ARG A 121 13.005 10.501 5.826 1.00 0.00 C ATOM 1848 NH1 ARG A 121 11.959 9.785 5.436 1.00 0.00 N ATOM 1849 NH2 ARG A 121 12.824 11.567 6.595 1.00 0.00 N ATOM 0 H ARG A 121 11.051 9.309 1.065 1.00 0.00 H new ATOM 0 HA ARG A 121 13.227 11.293 1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 121 12.678 10.530 3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.353 8.897 2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 121 14.737 8.473 2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 121 15.125 10.144 2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 121 13.814 8.196 4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 121 15.514 8.621 4.831 1.00 0.00 H new ATOM 0 HE ARG A 121 15.013 10.724 5.767 1.00 0.00 H new ATOM 0 HH11 ARG A 121 12.094 8.965 4.845 1.00 0.00 H new ATOM 0 HH12 ARG A 121 11.019 10.055 5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 121 13.626 12.120 6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 121 11.883 11.833 6.884 1.00 0.00 H new ATOM 1863 N ILE A 122 13.259 8.407 -0.247 1.00 0.00 N ATOM 1864 CA ILE A 122 14.023 7.547 -1.142 1.00 0.00 C ATOM 1865 C ILE A 122 14.041 8.108 -2.560 1.00 0.00 C ATOM 1866 O ILE A 122 15.061 8.621 -3.024 1.00 0.00 O ATOM 1867 CB ILE A 122 13.450 6.118 -1.175 1.00 0.00 C ATOM 1868 CG1 ILE A 122 13.331 5.560 0.244 1.00 0.00 C ATOM 1869 CG2 ILE A 122 14.324 5.216 -2.033 1.00 0.00 C ATOM 1870 CD1 ILE A 122 12.724 4.175 0.300 1.00 0.00 C ATOM 0 H ILE A 122 12.276 8.151 -0.153 1.00 0.00 H new ATOM 0 HA ILE A 122 15.041 7.513 -0.754 1.00 0.00 H new ATOM 0 HB ILE A 122 12.454 6.152 -1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 122 14.321 5.533 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 122 12.724 6.239 0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 122 13.906 4.210 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 122 14.362 5.607 -3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 122 15.332 5.185 -1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 122 12.670 3.843 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 122 11.721 4.200 -0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 122 13.343 3.483 -0.271 1.00 0.00 H new ATOM 1882 N LEU A 123 12.907 8.010 -3.244 1.00 0.00 N ATOM 1883 CA LEU A 123 12.790 8.509 -4.610 1.00 0.00 C ATOM 1884 C LEU A 123 13.395 9.905 -4.732 1.00 0.00 C ATOM 1885 O LEU A 123 14.267 10.143 -5.566 1.00 0.00 O ATOM 1886 CB LEU A 123 11.323 8.537 -5.040 1.00 0.00 C ATOM 1887 CG LEU A 123 10.741 7.210 -5.528 1.00 0.00 C ATOM 1888 CD1 LEU A 123 10.141 6.431 -4.368 1.00 0.00 C ATOM 1889 CD2 LEU A 123 9.697 7.450 -6.608 1.00 0.00 C ATOM 0 H LEU A 123 12.054 7.589 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 123 13.341 7.835 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.725 8.885 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 123 11.212 9.274 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 123 11.549 6.618 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.732 5.490 -4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 123 10.915 6.226 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.346 7.018 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.294 6.494 -6.943 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.891 8.063 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.157 7.965 -7.451 1.00 0.00 H new ATOM 1901 N ASN A 124 12.926 10.823 -3.893 1.00 0.00 N ATOM 1902 CA ASN A 124 13.421 12.194 -3.906 1.00 0.00 C ATOM 1903 C ASN A 124 14.937 12.227 -3.737 1.00 0.00 C ATOM 1904 O ASN A 124 15.592 11.184 -3.707 1.00 0.00 O ATOM 1905 CB ASN A 124 12.755 13.010 -2.796 1.00 0.00 C ATOM 1906 CG ASN A 124 11.290 13.283 -3.079 1.00 0.00 C ATOM 1907 OD1 ASN A 124 10.919 14.386 -3.480 1.00 0.00 O ATOM 1908 ND2 ASN A 124 10.450 12.276 -2.869 1.00 0.00 N ATOM 0 H ASN A 124 12.204 10.642 -3.196 1.00 0.00 H new ATOM 0 HA ASN A 124 13.171 12.634 -4.871 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.846 12.475 -1.851 1.00 0.00 H new ATOM 0 HB3 ASN A 124 13.282 13.957 -2.678 1.00 0.00 H new ATOM 0 HD21 ASN A 124 9.452 12.400 -3.041 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.803 11.379 -2.536 1.00 0.00 H new ATOM 1915 N HIS A 125 15.489 13.431 -3.626 1.00 0.00 N ATOM 1916 CA HIS A 125 16.928 13.600 -3.458 1.00 0.00 C ATOM 1917 C HIS A 125 17.297 13.683 -1.980 1.00 0.00 C ATOM 1918 O HIS A 125 18.024 14.584 -1.561 1.00 0.00 O ATOM 1919 CB HIS A 125 17.404 14.857 -4.187 1.00 0.00 C ATOM 1920 CG HIS A 125 16.559 16.063 -3.913 1.00 0.00 C ATOM 1921 ND1 HIS A 125 16.447 16.636 -2.664 1.00 0.00 N ATOM 1922 CD2 HIS A 125 15.783 16.806 -4.737 1.00 0.00 C ATOM 1923 CE1 HIS A 125 15.638 17.679 -2.731 1.00 0.00 C ATOM 1924 NE2 HIS A 125 15.222 17.804 -3.979 1.00 0.00 N ATOM 0 H HIS A 125 14.962 14.304 -3.649 1.00 0.00 H new ATOM 0 HA HIS A 125 17.424 12.730 -3.889 1.00 0.00 H new ATOM 0 HB2 HIS A 125 18.432 15.070 -3.894 1.00 0.00 H new ATOM 0 HB3 HIS A 125 17.411 14.664 -5.260 1.00 0.00 H new ATOM 0 HD1 HIS A 125 16.915 16.306 -1.820 1.00 0.00 H new ATOM 0 HD2 HIS A 125 15.633 16.644 -5.794 1.00 0.00 H new ATOM 0 HE1 HIS A 125 15.364 18.320 -1.906 1.00 0.00 H new