USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1009 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 144 HIS : no HD1:sc= -2.61! K(o=-4.3!,f=-3.5) USER MOD Set 1.2: A 148 CYS SG : rot 85:sc= -1.72! USER MOD Set 2.1: A 113 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 116 HIS : no HD1:sc= -5.59! C(o=-5.6!,f=-10!) USER MOD Set 3.1: A 86 ASN : amide:sc= -3.74 K(o=-3.7,f=-13!) USER MOD Set 3.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 42 HIS : no HD1:sc= -0.542 K(o=-0.54,f=-1.5!) USER MOD Set 4.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 30:sc= -1.12 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 59 THR OG1 : rot 80:sc= -3.04! USER MOD Single : A 64 THR OG1 : rot 76:sc= -6.14! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.01 K(o=-1,f=-1.8) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.773 USER MOD Single : A 104 LYS NZ :NH3+ 140:sc= 0.928 (180deg=-0.36) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= -0.225 K(o=-0.22,f=-1) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 180:sc= -4.37 USER MOD Single : A 129 GLN : amide:sc= -7.31! C(o=-7.3!,f=-10!) USER MOD Single : A 132 GLN : amide:sc= -10.1! C(o=-10!,f=-8.5!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -155:sc= -0.519 (180deg=-2.79) USER MOD Single : A 137 LYS NZ :NH3+ -120:sc= -0.229 (180deg=-2.92!) USER MOD Single : A 141 GLN : amide:sc= -3.12! K(o=-3.1!,f=-0.26) USER MOD Single : A 145 GLN : amide:sc= -0.0881 X(o=-0.088,f=-0.47) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.474 -8.232 5.090 1.00 0.00 N ATOM 87 CA LEU A 8 6.241 -8.613 4.339 1.00 0.00 C ATOM 88 C LEU A 8 5.597 -7.366 3.734 1.00 0.00 C ATOM 89 O LEU A 8 5.512 -6.332 4.365 1.00 0.00 O ATOM 90 CB LEU A 8 5.242 -9.267 5.296 1.00 0.00 C ATOM 91 CG LEU A 8 5.992 -10.087 6.348 1.00 0.00 C ATOM 92 CD1 LEU A 8 6.672 -9.144 7.342 1.00 0.00 C ATOM 93 CD2 LEU A 8 4.997 -10.971 7.100 1.00 0.00 C ATOM 0 HA LEU A 8 6.510 -9.310 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.636 -8.502 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.559 -9.909 4.740 1.00 0.00 H new ATOM 0 HG LEU A 8 6.743 -10.706 5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.206 -9.729 8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.376 -8.503 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.919 -8.527 7.832 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.527 -11.557 7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.251 -10.345 7.589 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.503 -11.642 6.397 1.00 0.00 H new ATOM 105 N ARG A 9 5.124 -7.459 2.522 1.00 0.00 N ATOM 106 CA ARG A 9 4.467 -6.280 1.893 1.00 0.00 C ATOM 107 C ARG A 9 2.996 -6.264 2.321 1.00 0.00 C ATOM 108 O ARG A 9 2.307 -7.260 2.230 1.00 0.00 O ATOM 109 CB ARG A 9 4.556 -6.393 0.369 1.00 0.00 C ATOM 110 CG ARG A 9 4.221 -5.040 -0.263 1.00 0.00 C ATOM 111 CD ARG A 9 4.263 -5.161 -1.789 1.00 0.00 C ATOM 112 NE ARG A 9 4.067 -3.818 -2.402 1.00 0.00 N ATOM 113 CZ ARG A 9 4.272 -3.645 -3.680 1.00 0.00 C ATOM 114 NH1 ARG A 9 4.652 -4.652 -4.422 1.00 0.00 N ATOM 115 NH2 ARG A 9 4.100 -2.468 -4.215 1.00 0.00 N ATOM 0 H ARG A 9 5.164 -8.297 1.942 1.00 0.00 H new ATOM 0 HA ARG A 9 4.962 -5.362 2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.558 -6.706 0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.865 -7.156 0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.233 -4.712 0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.932 -4.285 0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.218 -5.580 -2.105 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.486 -5.845 -2.131 1.00 0.00 H new ATOM 0 HE ARG A 9 3.772 -3.032 -1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.788 -5.572 -4.003 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.812 -4.518 -5.420 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.805 -1.682 -3.635 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.260 -2.333 -5.213 1.00 0.00 H new ATOM 129 N ALA A 10 2.510 -5.150 2.794 1.00 0.00 N ATOM 130 CA ALA A 10 1.085 -5.097 3.231 1.00 0.00 C ATOM 131 C ALA A 10 0.474 -3.758 2.832 1.00 0.00 C ATOM 132 O ALA A 10 1.168 -2.780 2.625 1.00 0.00 O ATOM 133 CB ALA A 10 1.008 -5.236 4.751 1.00 0.00 C ATOM 0 H ALA A 10 3.032 -4.280 2.897 1.00 0.00 H new ATOM 0 HA ALA A 10 0.539 -5.911 2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.034 -5.197 5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.443 -6.189 5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.560 -4.421 5.219 1.00 0.00 H new ATOM 139 N CYS A 11 -0.823 -3.702 2.733 1.00 0.00 N ATOM 140 CA CYS A 11 -1.478 -2.424 2.361 1.00 0.00 C ATOM 141 C CYS A 11 -2.821 -2.311 3.082 1.00 0.00 C ATOM 142 O CYS A 11 -3.679 -3.164 2.956 1.00 0.00 O ATOM 143 CB CYS A 11 -1.707 -2.393 0.851 1.00 0.00 C ATOM 144 SG CYS A 11 -0.317 -1.558 0.046 1.00 0.00 S ATOM 0 H CYS A 11 -1.456 -4.486 2.894 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.839 -1.589 2.650 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.807 -3.408 0.467 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.638 -1.873 0.624 1.00 0.00 H new ATOM 0 HG CYS A 11 0.764 -1.745 0.743 1.00 0.00 H new ATOM 150 N GLY A 12 -3.010 -1.259 3.823 1.00 0.00 N ATOM 151 CA GLY A 12 -4.298 -1.069 4.545 1.00 0.00 C ATOM 152 C GLY A 12 -4.944 0.216 4.038 1.00 0.00 C ATOM 153 O GLY A 12 -4.373 0.920 3.226 1.00 0.00 O ATOM 0 H GLY A 12 -2.324 -0.517 3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.958 -1.919 4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.126 -1.010 5.620 1.00 0.00 H new ATOM 157 N LEU A 13 -6.126 0.533 4.487 1.00 0.00 N ATOM 158 CA LEU A 13 -6.777 1.776 3.990 1.00 0.00 C ATOM 159 C LEU A 13 -7.128 2.706 5.151 1.00 0.00 C ATOM 160 O LEU A 13 -7.962 2.392 5.975 1.00 0.00 O ATOM 161 CB LEU A 13 -8.080 1.408 3.266 1.00 0.00 C ATOM 162 CG LEU A 13 -8.029 1.873 1.809 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.413 1.739 1.172 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.591 3.337 1.744 1.00 0.00 C ATOM 0 H LEU A 13 -6.663 -0.006 5.167 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.084 2.280 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.233 0.330 3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.928 1.869 3.772 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.314 1.253 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.370 2.072 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.730 0.697 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.127 2.353 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.557 3.661 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.302 3.954 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.601 3.441 2.189 1.00 0.00 H new ATOM 176 N ILE A 14 -6.555 3.881 5.187 1.00 0.00 N ATOM 177 CA ILE A 14 -6.938 4.836 6.259 1.00 0.00 C ATOM 178 C ILE A 14 -8.189 5.542 5.764 1.00 0.00 C ATOM 179 O ILE A 14 -8.152 6.354 4.859 1.00 0.00 O ATOM 180 CB ILE A 14 -5.816 5.837 6.535 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.696 5.124 7.300 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.353 6.991 7.380 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.492 6.056 7.447 1.00 0.00 C ATOM 0 H ILE A 14 -5.850 4.214 4.530 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.121 4.318 7.201 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.433 6.231 5.594 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.053 4.818 8.284 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.403 4.217 6.771 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.551 7.703 7.575 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.159 7.491 6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.732 6.604 8.326 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.699 5.543 7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.129 6.340 6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.789 6.950 7.995 1.00 0.00 H new ATOM 195 N ILE A 15 -9.302 5.185 6.317 1.00 0.00 N ATOM 196 CA ILE A 15 -10.591 5.758 5.861 1.00 0.00 C ATOM 197 C ILE A 15 -10.983 6.953 6.720 1.00 0.00 C ATOM 198 O ILE A 15 -10.834 6.945 7.922 1.00 0.00 O ATOM 199 CB ILE A 15 -11.633 4.650 5.987 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.268 3.521 5.020 1.00 0.00 C ATOM 201 CG2 ILE A 15 -13.032 5.171 5.667 1.00 0.00 C ATOM 202 CD1 ILE A 15 -11.954 2.226 5.453 1.00 0.00 C ATOM 0 H ILE A 15 -9.378 4.510 7.078 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.515 6.111 4.833 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.638 4.284 7.014 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.574 3.784 4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.187 3.382 5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.754 4.360 5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.290 5.972 6.361 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.053 5.554 4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.691 1.426 4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.627 1.959 6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.035 2.368 5.449 1.00 0.00 H new ATOM 214 N PHE A 16 -11.490 7.982 6.098 1.00 0.00 N ATOM 215 CA PHE A 16 -11.906 9.183 6.863 1.00 0.00 C ATOM 216 C PHE A 16 -13.275 9.655 6.373 1.00 0.00 C ATOM 217 O PHE A 16 -13.455 9.961 5.214 1.00 0.00 O ATOM 218 CB PHE A 16 -10.883 10.298 6.653 1.00 0.00 C ATOM 219 CG PHE A 16 -10.891 10.731 5.204 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.047 10.100 4.282 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.737 11.767 4.787 1.00 0.00 C ATOM 222 CE1 PHE A 16 -10.053 10.502 2.941 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.743 12.168 3.446 1.00 0.00 C ATOM 224 CZ PHE A 16 -10.901 11.536 2.523 1.00 0.00 C ATOM 0 H PHE A 16 -11.633 8.039 5.090 1.00 0.00 H new ATOM 0 HA PHE A 16 -11.965 8.934 7.922 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -11.117 11.146 7.297 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.889 9.950 6.933 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.392 9.304 4.605 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.384 12.256 5.500 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.404 10.015 2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.397 12.965 3.123 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.905 11.846 1.488 1.00 0.00 H new ATOM 234 N ARG A 17 -14.240 9.737 7.248 1.00 0.00 N ATOM 235 CA ARG A 17 -15.584 10.210 6.818 1.00 0.00 C ATOM 236 C ARG A 17 -15.601 11.736 6.876 1.00 0.00 C ATOM 237 O ARG A 17 -15.512 12.328 7.934 1.00 0.00 O ATOM 238 CB ARG A 17 -16.655 9.645 7.758 1.00 0.00 C ATOM 239 CG ARG A 17 -17.994 9.534 7.021 1.00 0.00 C ATOM 240 CD ARG A 17 -18.523 10.929 6.691 1.00 0.00 C ATOM 241 NE ARG A 17 -19.892 10.809 6.112 1.00 0.00 N ATOM 242 CZ ARG A 17 -20.725 11.812 6.190 1.00 0.00 C ATOM 243 NH1 ARG A 17 -20.368 12.916 6.789 1.00 0.00 N ATOM 244 NH2 ARG A 17 -21.917 11.713 5.670 1.00 0.00 N ATOM 0 H ARG A 17 -14.156 9.498 8.236 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.793 9.872 5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.349 8.665 8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.763 10.291 8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.868 8.957 6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.715 8.999 7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.548 11.544 7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.858 11.425 5.984 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.178 9.943 5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -19.437 12.997 7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -21.020 13.698 6.849 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -22.199 10.852 5.202 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -22.567 12.497 5.731 1.00 0.00 H new ATOM 258 N ARG A 18 -15.711 12.385 5.752 1.00 0.00 N ATOM 259 CA ARG A 18 -15.727 13.872 5.752 1.00 0.00 C ATOM 260 C ARG A 18 -17.161 14.373 5.911 1.00 0.00 C ATOM 261 O ARG A 18 -18.091 13.811 5.365 1.00 0.00 O ATOM 262 CB ARG A 18 -15.139 14.397 4.441 1.00 0.00 C ATOM 263 CG ARG A 18 -15.043 15.921 4.503 1.00 0.00 C ATOM 264 CD ARG A 18 -14.306 16.438 3.268 1.00 0.00 C ATOM 265 NE ARG A 18 -15.094 16.112 2.046 1.00 0.00 N ATOM 266 CZ ARG A 18 -15.083 16.923 1.022 1.00 0.00 C ATOM 267 NH1 ARG A 18 -14.391 18.031 1.069 1.00 0.00 N ATOM 268 NH2 ARG A 18 -15.763 16.627 -0.051 1.00 0.00 N ATOM 0 H ARG A 18 -15.791 11.949 4.833 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.125 14.236 6.585 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.152 13.966 4.274 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.765 14.095 3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.041 16.357 4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.517 16.226 5.407 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.160 17.516 3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.316 15.986 3.207 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.643 15.253 2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.858 18.264 1.907 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.384 18.662 0.268 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.303 15.763 -0.090 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.755 17.260 -0.851 1.00 0.00 H new ATOM 434 N ILE A 29 -13.770 15.551 10.695 1.00 0.00 N ATOM 435 CA ILE A 29 -13.374 14.321 9.958 1.00 0.00 C ATOM 436 C ILE A 29 -13.215 13.155 10.935 1.00 0.00 C ATOM 437 O ILE A 29 -12.564 13.267 11.955 1.00 0.00 O ATOM 438 CB ILE A 29 -12.055 14.570 9.226 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.312 15.524 8.060 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.504 13.248 8.694 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.065 16.370 7.801 1.00 0.00 C ATOM 0 HA ILE A 29 -14.148 14.070 9.233 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.329 15.008 9.911 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.572 14.958 7.165 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.161 16.170 8.286 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.564 13.429 8.173 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.332 12.565 9.526 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.222 12.806 8.004 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.252 17.049 6.969 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.825 16.948 8.694 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.227 15.717 7.555 1.00 0.00 H new ATOM 453 N GLU A 30 -13.800 12.038 10.617 1.00 0.00 N ATOM 454 CA GLU A 30 -13.689 10.846 11.506 1.00 0.00 C ATOM 455 C GLU A 30 -13.000 9.726 10.730 1.00 0.00 C ATOM 456 O GLU A 30 -13.049 9.691 9.521 1.00 0.00 O ATOM 457 CB GLU A 30 -15.089 10.384 11.927 1.00 0.00 C ATOM 458 CG GLU A 30 -15.788 11.497 12.707 1.00 0.00 C ATOM 459 CD GLU A 30 -17.158 11.006 13.179 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.567 9.944 12.740 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.776 11.699 13.971 1.00 0.00 O ATOM 0 H GLU A 30 -14.355 11.896 9.773 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.113 11.099 12.397 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.675 10.121 11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.016 9.487 12.542 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.181 11.792 13.563 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.903 12.380 12.078 1.00 0.00 H new ATOM 469 N PHE A 31 -12.353 8.813 11.407 1.00 0.00 N ATOM 470 CA PHE A 31 -11.660 7.710 10.680 1.00 0.00 C ATOM 471 C PHE A 31 -12.282 6.365 11.054 1.00 0.00 C ATOM 472 O PHE A 31 -12.784 6.182 12.145 1.00 0.00 O ATOM 473 CB PHE A 31 -10.176 7.699 11.056 1.00 0.00 C ATOM 474 CG PHE A 31 -9.523 8.999 10.638 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.074 9.170 9.324 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.360 10.031 11.574 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.464 10.372 8.943 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.750 11.232 11.190 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.302 11.401 9.876 1.00 0.00 C ATOM 0 H PHE A 31 -12.275 8.784 12.424 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.767 7.872 9.607 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.066 7.557 12.131 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.676 6.860 10.572 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.198 8.375 8.603 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.704 9.900 12.589 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.119 10.504 7.928 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.626 12.028 11.909 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.831 12.327 9.582 1.00 0.00 H new ATOM 489 N LEU A 32 -12.236 5.412 10.160 1.00 0.00 N ATOM 490 CA LEU A 32 -12.805 4.073 10.471 1.00 0.00 C ATOM 491 C LEU A 32 -11.771 3.280 11.263 1.00 0.00 C ATOM 492 O LEU A 32 -10.634 3.148 10.860 1.00 0.00 O ATOM 493 CB LEU A 32 -13.136 3.323 9.176 1.00 0.00 C ATOM 494 CG LEU A 32 -13.561 1.891 9.506 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.752 1.914 10.463 1.00 0.00 C ATOM 496 CD2 LEU A 32 -13.963 1.169 8.220 1.00 0.00 C ATOM 0 H LEU A 32 -11.829 5.506 9.230 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.721 4.192 11.051 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -13.935 3.836 8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.267 3.313 8.518 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.727 1.369 9.976 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.052 0.892 10.696 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.470 2.428 11.382 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.585 2.439 9.995 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.266 0.149 8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.795 1.696 7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.116 1.147 7.535 1.00 0.00 H new ATOM 508 N LEU A 33 -12.156 2.757 12.392 1.00 0.00 N ATOM 509 CA LEU A 33 -11.193 1.978 13.213 1.00 0.00 C ATOM 510 C LEU A 33 -11.789 0.618 13.562 1.00 0.00 C ATOM 511 O LEU A 33 -12.937 0.510 13.939 1.00 0.00 O ATOM 512 CB LEU A 33 -10.884 2.749 14.494 1.00 0.00 C ATOM 513 CG LEU A 33 -9.726 3.706 14.233 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.678 4.763 15.334 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.414 2.921 14.224 1.00 0.00 C ATOM 0 H LEU A 33 -13.096 2.836 12.781 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.274 1.827 12.647 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.764 3.303 14.821 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.627 2.058 15.296 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.868 4.194 13.269 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.850 5.446 15.146 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.614 5.321 15.344 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.536 4.277 16.299 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.584 3.602 14.038 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.274 2.434 15.189 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.447 2.166 13.439 1.00 0.00 H new ATOM 527 N LEU A 34 -11.010 -0.419 13.439 1.00 0.00 N ATOM 528 CA LEU A 34 -11.516 -1.779 13.760 1.00 0.00 C ATOM 529 C LEU A 34 -10.863 -2.267 15.055 1.00 0.00 C ATOM 530 O LEU A 34 -9.701 -2.016 15.308 1.00 0.00 O ATOM 531 CB LEU A 34 -11.168 -2.720 12.608 1.00 0.00 C ATOM 532 CG LEU A 34 -11.657 -2.103 11.296 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.356 -3.050 10.136 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.165 -1.872 11.381 1.00 0.00 C ATOM 0 H LEU A 34 -10.039 -0.381 13.128 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.597 -1.758 13.895 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.091 -2.885 12.568 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.634 -3.693 12.763 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.146 -1.155 11.129 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.706 -2.606 9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.281 -3.221 10.075 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.866 -3.999 10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.519 -1.432 10.448 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.670 -2.823 11.548 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.383 -1.195 12.207 1.00 0.00 H new ATOM 546 N GLN A 35 -11.601 -2.953 15.885 1.00 0.00 N ATOM 547 CA GLN A 35 -11.020 -3.443 17.168 1.00 0.00 C ATOM 548 C GLN A 35 -10.581 -4.900 17.018 1.00 0.00 C ATOM 549 O GLN A 35 -11.351 -5.752 16.623 1.00 0.00 O ATOM 550 CB GLN A 35 -12.071 -3.350 18.274 1.00 0.00 C ATOM 551 CG GLN A 35 -11.441 -3.736 19.614 1.00 0.00 C ATOM 552 CD GLN A 35 -12.534 -3.841 20.678 1.00 0.00 C ATOM 553 OE1 GLN A 35 -13.483 -4.580 20.519 1.00 0.00 O ATOM 554 NE2 GLN A 35 -12.442 -3.125 21.766 1.00 0.00 N ATOM 0 H GLN A 35 -12.580 -3.195 15.731 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.157 -2.828 17.424 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.470 -2.337 18.326 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.908 -4.011 18.050 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.916 -4.687 19.521 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.702 -2.991 19.909 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.645 -2.503 21.901 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.167 -3.188 22.481 1.00 0.00 H new ATOM 641 N HIS A 42 -6.213 -3.431 20.541 1.00 0.00 N ATOM 642 CA HIS A 42 -5.833 -2.121 19.940 1.00 0.00 C ATOM 643 C HIS A 42 -6.710 -1.842 18.720 1.00 0.00 C ATOM 644 O HIS A 42 -7.293 -2.739 18.143 1.00 0.00 O ATOM 645 CB HIS A 42 -4.367 -2.168 19.510 1.00 0.00 C ATOM 646 CG HIS A 42 -4.112 -3.445 18.755 1.00 0.00 C ATOM 647 ND1 HIS A 42 -3.953 -4.664 19.398 1.00 0.00 N ATOM 648 CD2 HIS A 42 -3.991 -3.709 17.413 1.00 0.00 C ATOM 649 CE1 HIS A 42 -3.747 -5.599 18.452 1.00 0.00 C ATOM 650 NE2 HIS A 42 -3.758 -5.068 17.228 1.00 0.00 N ATOM 0 HA HIS A 42 -5.975 -1.330 20.676 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.132 -1.308 18.883 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.718 -2.112 20.384 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.065 -2.976 16.624 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.592 -6.648 18.658 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.624 -5.556 16.342 1.00 0.00 H new ATOM 659 N TRP A 43 -6.806 -0.603 18.324 1.00 0.00 N ATOM 660 CA TRP A 43 -7.645 -0.259 17.142 1.00 0.00 C ATOM 661 C TRP A 43 -6.744 0.067 15.949 1.00 0.00 C ATOM 662 O TRP A 43 -5.789 0.808 16.065 1.00 0.00 O ATOM 663 CB TRP A 43 -8.499 0.962 17.476 1.00 0.00 C ATOM 664 CG TRP A 43 -9.366 0.654 18.654 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.941 0.583 19.935 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.796 0.378 18.681 1.00 0.00 C ATOM 667 NE1 TRP A 43 -10.018 0.280 20.749 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.181 0.143 20.020 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.781 0.309 17.682 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.502 -0.151 20.359 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -13.112 0.013 18.020 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.472 -0.217 19.355 1.00 0.00 C ATOM 0 H TRP A 43 -6.339 0.187 18.769 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.286 -1.104 16.891 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.860 1.818 17.695 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.115 1.235 16.619 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.926 0.738 20.269 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.959 0.171 21.762 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.514 0.484 16.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.773 -0.326 21.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.863 -0.038 17.246 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.497 -0.445 19.607 1.00 0.00 H new ATOM 683 N THR A 44 -7.047 -0.474 14.802 1.00 0.00 N ATOM 684 CA THR A 44 -6.214 -0.187 13.599 1.00 0.00 C ATOM 685 C THR A 44 -7.089 -0.269 12.346 1.00 0.00 C ATOM 686 O THR A 44 -8.083 -0.968 12.322 1.00 0.00 O ATOM 687 CB THR A 44 -5.088 -1.222 13.498 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.451 -2.389 14.220 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.798 -0.641 14.081 1.00 0.00 C ATOM 0 H THR A 44 -7.835 -1.102 14.645 1.00 0.00 H new ATOM 0 HA THR A 44 -5.785 0.812 13.683 1.00 0.00 H new ATOM 0 HB THR A 44 -4.927 -1.477 12.451 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.732 -3.051 14.154 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.000 -1.380 14.007 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.517 0.253 13.524 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.956 -0.381 15.128 1.00 0.00 H new ATOM 697 N PRO A 45 -6.718 0.435 11.311 1.00 0.00 N ATOM 698 CA PRO A 45 -7.478 0.438 10.029 1.00 0.00 C ATOM 699 C PRO A 45 -7.352 -0.898 9.289 1.00 0.00 C ATOM 700 O PRO A 45 -6.395 -1.620 9.470 1.00 0.00 O ATOM 701 CB PRO A 45 -6.833 1.562 9.217 1.00 0.00 C ATOM 702 CG PRO A 45 -5.458 1.722 9.778 1.00 0.00 C ATOM 703 CD PRO A 45 -5.534 1.307 11.248 1.00 0.00 C ATOM 0 HA PRO A 45 -8.546 0.584 10.191 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.797 1.310 8.157 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.403 2.487 9.306 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.744 1.101 9.237 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.119 2.754 9.684 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.633 0.780 11.561 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.640 2.172 11.902 1.00 0.00 H new ATOM 711 N PRO A 46 -8.310 -1.223 8.467 1.00 0.00 N ATOM 712 CA PRO A 46 -8.306 -2.493 7.692 1.00 0.00 C ATOM 713 C PRO A 46 -6.922 -2.839 7.135 1.00 0.00 C ATOM 714 O PRO A 46 -6.463 -2.252 6.174 1.00 0.00 O ATOM 715 CB PRO A 46 -9.279 -2.205 6.550 1.00 0.00 C ATOM 716 CG PRO A 46 -10.246 -1.208 7.100 1.00 0.00 C ATOM 717 CD PRO A 46 -9.508 -0.416 8.183 1.00 0.00 C ATOM 0 HA PRO A 46 -8.582 -3.347 8.310 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.757 -1.808 5.679 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.790 -3.113 6.229 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.604 -0.544 6.313 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.120 -1.708 7.517 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.242 0.582 7.835 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.124 -0.290 9.074 1.00 0.00 H new ATOM 725 N LYS A 47 -6.252 -3.797 7.724 1.00 0.00 N ATOM 726 CA LYS A 47 -4.905 -4.182 7.215 1.00 0.00 C ATOM 727 C LYS A 47 -5.016 -5.493 6.435 1.00 0.00 C ATOM 728 O LYS A 47 -5.746 -6.389 6.810 1.00 0.00 O ATOM 729 CB LYS A 47 -3.939 -4.370 8.389 1.00 0.00 C ATOM 730 CG LYS A 47 -3.826 -3.063 9.173 1.00 0.00 C ATOM 731 CD LYS A 47 -2.606 -3.122 10.092 1.00 0.00 C ATOM 732 CE LYS A 47 -2.805 -4.220 11.135 1.00 0.00 C ATOM 733 NZ LYS A 47 -1.864 -4.003 12.269 1.00 0.00 N ATOM 0 H LYS A 47 -6.580 -4.326 8.532 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.528 -3.395 6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.294 -5.168 9.041 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.958 -4.672 8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.736 -2.221 8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.729 -2.900 9.761 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.707 -3.319 9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.462 -2.160 10.584 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.834 -4.212 11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.632 -5.198 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.999 -4.750 12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.885 -4.031 11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.050 -3.076 12.702 1.00 0.00 H new ATOM 747 N GLY A 48 -4.297 -5.616 5.353 1.00 0.00 N ATOM 748 CA GLY A 48 -4.361 -6.872 4.554 1.00 0.00 C ATOM 749 C GLY A 48 -3.001 -7.131 3.903 1.00 0.00 C ATOM 750 O GLY A 48 -2.080 -6.350 4.040 1.00 0.00 O ATOM 0 H GLY A 48 -3.668 -4.901 4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.635 -7.710 5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.133 -6.790 3.789 1.00 0.00 H new ATOM 754 N HIS A 49 -2.869 -8.220 3.196 1.00 0.00 N ATOM 755 CA HIS A 49 -1.570 -8.530 2.535 1.00 0.00 C ATOM 756 C HIS A 49 -1.736 -8.423 1.019 1.00 0.00 C ATOM 757 O HIS A 49 -2.728 -8.848 0.462 1.00 0.00 O ATOM 758 CB HIS A 49 -1.135 -9.950 2.902 1.00 0.00 C ATOM 759 CG HIS A 49 -0.861 -10.027 4.378 1.00 0.00 C ATOM 760 ND1 HIS A 49 -0.704 -11.237 5.041 1.00 0.00 N ATOM 761 CD2 HIS A 49 -0.712 -9.054 5.336 1.00 0.00 C ATOM 762 CE1 HIS A 49 -0.471 -10.963 6.338 1.00 0.00 C ATOM 763 NE2 HIS A 49 -0.467 -9.649 6.569 1.00 0.00 N ATOM 0 H HIS A 49 -3.606 -8.909 3.048 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.812 -7.822 2.871 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.914 -10.662 2.629 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.241 -10.224 2.341 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.775 -7.990 5.159 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.308 -11.713 7.097 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.316 -9.180 7.462 1.00 0.00 H new ATOM 772 N VAL A 50 -0.775 -7.855 0.345 1.00 0.00 N ATOM 773 CA VAL A 50 -0.886 -7.720 -1.134 1.00 0.00 C ATOM 774 C VAL A 50 -0.293 -8.957 -1.816 1.00 0.00 C ATOM 775 O VAL A 50 0.760 -9.444 -1.450 1.00 0.00 O ATOM 776 CB VAL A 50 -0.141 -6.458 -1.593 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.644 -5.866 -0.423 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.819 -6.802 -2.738 1.00 0.00 C ATOM 0 H VAL A 50 0.081 -7.479 0.753 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.937 -7.635 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.868 -5.726 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.171 -4.971 -0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.043 -5.606 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.365 -6.599 -0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.343 -5.901 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.544 -7.541 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.254 -7.209 -3.577 1.00 0.00 H new ATOM 788 N GLU A 51 -0.969 -9.462 -2.810 1.00 0.00 N ATOM 789 CA GLU A 51 -0.473 -10.661 -3.544 1.00 0.00 C ATOM 790 C GLU A 51 0.725 -10.246 -4.415 1.00 0.00 C ATOM 791 O GLU A 51 1.175 -9.119 -4.344 1.00 0.00 O ATOM 792 CB GLU A 51 -1.615 -11.199 -4.417 1.00 0.00 C ATOM 793 CG GLU A 51 -1.933 -12.656 -4.053 1.00 0.00 C ATOM 794 CD GLU A 51 -3.029 -12.682 -2.985 1.00 0.00 C ATOM 795 OE1 GLU A 51 -4.190 -12.717 -3.356 1.00 0.00 O ATOM 796 OE2 GLU A 51 -2.685 -12.673 -1.813 1.00 0.00 O ATOM 0 H GLU A 51 -1.856 -9.090 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.152 -11.440 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.504 -10.583 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.338 -11.134 -5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.259 -13.201 -4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.037 -13.155 -3.683 1.00 0.00 H new ATOM 804 N PRO A 52 1.258 -11.134 -5.222 1.00 0.00 N ATOM 805 CA PRO A 52 2.433 -10.813 -6.082 1.00 0.00 C ATOM 806 C PRO A 52 2.067 -9.853 -7.219 1.00 0.00 C ATOM 807 O PRO A 52 2.408 -8.687 -7.190 1.00 0.00 O ATOM 808 CB PRO A 52 2.878 -12.167 -6.638 1.00 0.00 C ATOM 809 CG PRO A 52 1.688 -13.064 -6.535 1.00 0.00 C ATOM 810 CD PRO A 52 0.808 -12.524 -5.406 1.00 0.00 C ATOM 0 HA PRO A 52 3.218 -10.308 -5.519 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.209 -12.075 -7.672 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.718 -12.566 -6.069 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.138 -13.082 -7.476 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.996 -14.088 -6.326 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.249 -12.568 -5.671 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.932 -13.106 -4.493 1.00 0.00 H new ATOM 818 N GLY A 53 1.374 -10.331 -8.215 1.00 0.00 N ATOM 819 CA GLY A 53 0.985 -9.442 -9.344 1.00 0.00 C ATOM 820 C GLY A 53 -0.216 -8.591 -8.925 1.00 0.00 C ATOM 821 O GLY A 53 -0.953 -8.088 -9.749 1.00 0.00 O ATOM 0 H GLY A 53 1.061 -11.298 -8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.821 -8.800 -9.622 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.735 -10.038 -10.222 1.00 0.00 H new ATOM 825 N GLU A 54 -0.423 -8.438 -7.644 1.00 0.00 N ATOM 826 CA GLU A 54 -1.579 -7.630 -7.162 1.00 0.00 C ATOM 827 C GLU A 54 -1.165 -6.166 -7.014 1.00 0.00 C ATOM 828 O GLU A 54 -0.025 -5.856 -6.740 1.00 0.00 O ATOM 829 CB GLU A 54 -2.039 -8.155 -5.803 1.00 0.00 C ATOM 830 CG GLU A 54 -3.313 -7.424 -5.388 1.00 0.00 C ATOM 831 CD GLU A 54 -3.715 -7.837 -3.971 1.00 0.00 C ATOM 832 OE1 GLU A 54 -2.983 -8.599 -3.364 1.00 0.00 O ATOM 833 OE2 GLU A 54 -4.751 -7.381 -3.514 1.00 0.00 O ATOM 0 H GLU A 54 0.160 -8.839 -6.910 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.391 -7.708 -7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.222 -9.228 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.259 -8.002 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.154 -6.346 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.118 -7.655 -6.085 1.00 0.00 H new ATOM 841 N ASP A 55 -2.092 -5.263 -7.190 1.00 0.00 N ATOM 842 CA ASP A 55 -1.758 -3.817 -7.055 1.00 0.00 C ATOM 843 C ASP A 55 -1.619 -3.459 -5.577 1.00 0.00 C ATOM 844 O ASP A 55 -2.078 -4.170 -4.703 1.00 0.00 O ATOM 845 CB ASP A 55 -2.869 -2.969 -7.665 1.00 0.00 C ATOM 846 CG ASP A 55 -2.402 -1.517 -7.768 1.00 0.00 C ATOM 847 OD1 ASP A 55 -1.269 -1.253 -7.397 1.00 0.00 O ATOM 848 OD2 ASP A 55 -3.182 -0.693 -8.216 1.00 0.00 O ATOM 0 H ASP A 55 -3.065 -5.464 -7.421 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.820 -3.621 -7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.131 -3.349 -8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.767 -3.031 -7.051 1.00 0.00 H new ATOM 854 N ASP A 56 -0.981 -2.365 -5.295 1.00 0.00 N ATOM 855 CA ASP A 56 -0.791 -1.952 -3.875 1.00 0.00 C ATOM 856 C ASP A 56 -2.103 -1.401 -3.298 1.00 0.00 C ATOM 857 O ASP A 56 -2.599 -1.878 -2.296 1.00 0.00 O ATOM 858 CB ASP A 56 0.285 -0.868 -3.812 1.00 0.00 C ATOM 859 CG ASP A 56 1.617 -1.438 -4.308 1.00 0.00 C ATOM 860 OD1 ASP A 56 2.499 -0.649 -4.606 1.00 0.00 O ATOM 861 OD2 ASP A 56 1.732 -2.651 -4.385 1.00 0.00 O ATOM 0 H ASP A 56 -0.579 -1.733 -5.987 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.486 -2.819 -3.288 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.008 -0.015 -4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.391 -0.505 -2.790 1.00 0.00 H new ATOM 867 N LEU A 57 -2.664 -0.394 -3.915 1.00 0.00 N ATOM 868 CA LEU A 57 -3.935 0.191 -3.389 1.00 0.00 C ATOM 869 C LEU A 57 -5.061 -0.845 -3.443 1.00 0.00 C ATOM 870 O LEU A 57 -5.836 -0.974 -2.520 1.00 0.00 O ATOM 871 CB LEU A 57 -4.318 1.411 -4.235 1.00 0.00 C ATOM 872 CG LEU A 57 -5.687 1.945 -3.796 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.649 2.344 -2.319 1.00 0.00 C ATOM 874 CD2 LEU A 57 -6.036 3.173 -4.639 1.00 0.00 C ATOM 0 H LEU A 57 -2.299 0.048 -4.758 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.786 0.492 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.563 2.190 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.346 1.138 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.437 1.167 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.626 2.722 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.394 1.474 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.899 3.121 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.008 3.560 -4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.278 3.942 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.071 2.893 -5.692 1.00 0.00 H new ATOM 886 N GLU A 58 -5.152 -1.584 -4.513 1.00 0.00 N ATOM 887 CA GLU A 58 -6.232 -2.607 -4.625 1.00 0.00 C ATOM 888 C GLU A 58 -6.174 -3.528 -3.408 1.00 0.00 C ATOM 889 O GLU A 58 -7.187 -3.886 -2.843 1.00 0.00 O ATOM 890 CB GLU A 58 -6.013 -3.429 -5.894 1.00 0.00 C ATOM 891 CG GLU A 58 -6.358 -2.587 -7.129 1.00 0.00 C ATOM 892 CD GLU A 58 -5.564 -1.275 -7.131 1.00 0.00 C ATOM 893 OE1 GLU A 58 -4.541 -1.215 -6.474 1.00 0.00 O ATOM 894 OE2 GLU A 58 -5.997 -0.351 -7.797 1.00 0.00 O ATOM 0 H GLU A 58 -4.526 -1.525 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.205 -2.118 -4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.976 -3.761 -5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.634 -4.325 -5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.137 -3.153 -8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.426 -2.371 -7.141 1.00 0.00 H new ATOM 902 N THR A 59 -4.996 -3.892 -2.981 1.00 0.00 N ATOM 903 CA THR A 59 -4.899 -4.763 -1.781 1.00 0.00 C ATOM 904 C THR A 59 -5.586 -4.044 -0.624 1.00 0.00 C ATOM 905 O THR A 59 -6.332 -4.633 0.134 1.00 0.00 O ATOM 906 CB THR A 59 -3.429 -5.021 -1.448 1.00 0.00 C ATOM 907 OG1 THR A 59 -2.830 -5.718 -2.531 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.324 -5.858 -0.170 1.00 0.00 C ATOM 0 H THR A 59 -4.108 -3.627 -3.406 1.00 0.00 H new ATOM 0 HA THR A 59 -5.381 -5.724 -1.963 1.00 0.00 H new ATOM 0 HB THR A 59 -2.915 -4.073 -1.289 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.604 -5.084 -3.243 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.274 -6.038 0.062 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.791 -5.321 0.656 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.832 -6.811 -0.317 1.00 0.00 H new ATOM 916 N ALA A 60 -5.365 -2.763 -0.504 1.00 0.00 N ATOM 917 CA ALA A 60 -6.034 -1.999 0.578 1.00 0.00 C ATOM 918 C ALA A 60 -7.533 -1.986 0.289 1.00 0.00 C ATOM 919 O ALA A 60 -8.351 -2.151 1.172 1.00 0.00 O ATOM 920 CB ALA A 60 -5.498 -0.567 0.604 1.00 0.00 C ATOM 0 H ALA A 60 -4.751 -2.217 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.840 -2.461 1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.991 -0.008 1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.423 -0.584 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.697 -0.087 -0.354 1.00 0.00 H new ATOM 926 N LEU A 61 -7.896 -1.806 -0.954 1.00 0.00 N ATOM 927 CA LEU A 61 -9.338 -1.795 -1.323 1.00 0.00 C ATOM 928 C LEU A 61 -9.972 -3.130 -0.939 1.00 0.00 C ATOM 929 O LEU A 61 -10.984 -3.185 -0.272 1.00 0.00 O ATOM 930 CB LEU A 61 -9.460 -1.625 -2.836 1.00 0.00 C ATOM 931 CG LEU A 61 -8.817 -0.310 -3.269 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.884 -0.205 -4.792 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.573 0.864 -2.641 1.00 0.00 C ATOM 0 H LEU A 61 -7.251 -1.666 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.840 -0.979 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.977 -2.460 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.510 -1.639 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.778 -0.282 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.427 0.731 -5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.347 -1.042 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.925 -0.229 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.112 1.802 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.612 0.845 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.534 0.783 -1.555 1.00 0.00 H new ATOM 945 N ARG A 62 -9.374 -4.207 -1.365 1.00 0.00 N ATOM 946 CA ARG A 62 -9.932 -5.549 -1.038 1.00 0.00 C ATOM 947 C ARG A 62 -9.932 -5.738 0.478 1.00 0.00 C ATOM 948 O ARG A 62 -10.887 -6.218 1.054 1.00 0.00 O ATOM 949 CB ARG A 62 -9.064 -6.627 -1.692 1.00 0.00 C ATOM 950 CG ARG A 62 -9.735 -7.992 -1.545 1.00 0.00 C ATOM 951 CD ARG A 62 -8.820 -9.075 -2.114 1.00 0.00 C ATOM 952 NE ARG A 62 -8.537 -8.783 -3.548 1.00 0.00 N ATOM 953 CZ ARG A 62 -7.428 -9.200 -4.094 1.00 0.00 C ATOM 954 NH1 ARG A 62 -6.566 -9.878 -3.387 1.00 0.00 N ATOM 955 NH2 ARG A 62 -7.181 -8.937 -5.347 1.00 0.00 N ATOM 0 H ARG A 62 -8.522 -4.216 -1.926 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.953 -5.628 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.915 -6.396 -2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.078 -6.644 -1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.946 -8.194 -0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.691 -7.997 -2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.889 -9.113 -1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.292 -10.053 -2.017 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.211 -8.256 -4.103 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.759 -10.082 -2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.699 -10.204 -3.815 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.854 -8.406 -5.899 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.314 -9.262 -5.775 1.00 0.00 H new ATOM 969 N ALA A 63 -8.868 -5.361 1.131 1.00 0.00 N ATOM 970 CA ALA A 63 -8.806 -5.517 2.611 1.00 0.00 C ATOM 971 C ALA A 63 -9.823 -4.582 3.262 1.00 0.00 C ATOM 972 O ALA A 63 -10.388 -4.879 4.295 1.00 0.00 O ATOM 973 CB ALA A 63 -7.400 -5.161 3.102 1.00 0.00 C ATOM 0 H ALA A 63 -8.038 -4.951 0.703 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.035 -6.548 2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.353 -5.275 4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.673 -5.825 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.172 -4.129 2.835 1.00 0.00 H new ATOM 979 N THR A 64 -10.051 -3.445 2.666 1.00 0.00 N ATOM 980 CA THR A 64 -11.021 -2.477 3.245 1.00 0.00 C ATOM 981 C THR A 64 -12.404 -3.123 3.361 1.00 0.00 C ATOM 982 O THR A 64 -13.068 -3.012 4.371 1.00 0.00 O ATOM 983 CB THR A 64 -11.109 -1.259 2.326 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.807 -0.748 2.093 1.00 0.00 O ATOM 985 CG2 THR A 64 -11.965 -0.179 2.981 1.00 0.00 C ATOM 0 H THR A 64 -9.605 -3.144 1.799 1.00 0.00 H new ATOM 0 HA THR A 64 -10.686 -2.178 4.238 1.00 0.00 H new ATOM 0 HB THR A 64 -11.562 -1.555 1.380 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.337 -1.328 1.458 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.025 0.687 2.322 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.967 -0.568 3.161 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.515 0.117 3.929 1.00 0.00 H new ATOM 993 N GLN A 65 -12.848 -3.794 2.333 1.00 0.00 N ATOM 994 CA GLN A 65 -14.192 -4.433 2.393 1.00 0.00 C ATOM 995 C GLN A 65 -14.116 -5.757 3.153 1.00 0.00 C ATOM 996 O GLN A 65 -15.005 -6.101 3.907 1.00 0.00 O ATOM 997 CB GLN A 65 -14.709 -4.669 0.970 1.00 0.00 C ATOM 998 CG GLN A 65 -15.185 -6.118 0.815 1.00 0.00 C ATOM 999 CD GLN A 65 -15.743 -6.319 -0.595 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -15.025 -6.202 -1.568 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -17.005 -6.622 -0.750 1.00 0.00 N ATOM 0 H GLN A 65 -12.340 -3.927 1.458 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.879 -3.772 2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.529 -3.984 0.755 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.920 -4.458 0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.358 -6.805 0.993 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.951 -6.343 1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -17.610 -6.721 0.065 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -17.385 -6.760 -1.686 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.072 -6.511 2.957 1.00 0.00 N ATOM 1011 CA GLU A 66 -12.954 -7.818 3.662 1.00 0.00 C ATOM 1012 C GLU A 66 -12.899 -7.603 5.178 1.00 0.00 C ATOM 1013 O GLU A 66 -13.476 -8.357 5.935 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.679 -8.526 3.201 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.827 -8.946 1.735 1.00 0.00 C ATOM 1016 CD GLU A 66 -12.956 -9.971 1.607 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -13.336 -10.533 2.619 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -13.420 -10.172 0.496 1.00 0.00 O ATOM 0 H GLU A 66 -12.294 -6.279 2.339 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.825 -8.429 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.821 -7.863 3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.491 -9.401 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.041 -8.075 1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.892 -9.373 1.372 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.209 -6.593 5.628 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.125 -6.356 7.098 1.00 0.00 C ATOM 1028 C GLU A 67 -13.073 -5.228 7.516 1.00 0.00 C ATOM 1029 O GLU A 67 -13.154 -4.878 8.675 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.693 -5.974 7.472 1.00 0.00 C ATOM 1031 CG GLU A 67 -9.750 -7.132 7.143 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.330 -6.775 7.587 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -8.105 -5.620 7.911 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -7.492 -7.663 7.597 1.00 0.00 O ATOM 0 H GLU A 67 -11.702 -5.925 5.047 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.414 -7.271 7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.391 -5.080 6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.635 -5.735 8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.082 -8.040 7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.767 -7.336 6.072 1.00 0.00 H new ATOM 1042 N ALA A 68 -13.793 -4.653 6.591 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.721 -3.546 6.966 1.00 0.00 C ATOM 1044 C ALA A 68 -16.006 -3.631 6.143 1.00 0.00 C ATOM 1045 O ALA A 68 -17.038 -3.133 6.541 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.045 -2.201 6.700 1.00 0.00 C ATOM 0 H ALA A 68 -13.780 -4.898 5.601 1.00 0.00 H new ATOM 0 HA ALA A 68 -14.966 -3.637 8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.723 -1.393 6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.134 -2.128 7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.795 -2.122 5.642 1.00 0.00 H new ATOM 1052 N GLY A 69 -15.957 -4.247 4.998 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.187 -4.349 4.163 1.00 0.00 C ATOM 1054 C GLY A 69 -17.273 -3.130 3.244 1.00 0.00 C ATOM 1055 O GLY A 69 -18.155 -3.025 2.415 1.00 0.00 O ATOM 0 H GLY A 69 -15.124 -4.683 4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.165 -5.264 3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.070 -4.402 4.800 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.359 -2.210 3.385 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.385 -1.000 2.522 1.00 0.00 C ATOM 1061 C ILE A 70 -15.271 -1.111 1.476 1.00 0.00 C ATOM 1062 O ILE A 70 -14.122 -1.318 1.802 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.146 0.245 3.380 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.956 0.160 4.679 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.605 1.473 2.598 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.319 1.058 5.742 1.00 0.00 C ATOM 0 H ILE A 70 -15.596 -2.246 4.061 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.354 -0.921 2.029 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.086 0.314 3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.986 0.468 4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.989 -0.871 5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.441 2.368 3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -16.036 1.547 1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.666 1.381 2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.897 0.996 6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.297 0.729 5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.309 2.089 5.389 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.610 -0.977 0.223 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.574 -1.076 -0.850 1.00 0.00 C ATOM 1080 C GLU A 71 -14.496 0.248 -1.612 1.00 0.00 C ATOM 1081 O GLU A 71 -15.324 1.118 -1.443 1.00 0.00 O ATOM 1082 CB GLU A 71 -14.948 -2.203 -1.814 1.00 0.00 C ATOM 1083 CG GLU A 71 -16.220 -1.820 -2.568 1.00 0.00 C ATOM 1084 CD GLU A 71 -16.682 -3.001 -3.426 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -15.943 -3.967 -3.516 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -17.766 -2.918 -3.978 1.00 0.00 O ATOM 0 H GLU A 71 -16.560 -0.803 -0.107 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.604 -1.289 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.134 -2.381 -2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -15.103 -3.131 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.003 -1.541 -1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.034 -0.950 -3.198 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.506 0.410 -2.451 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.384 1.685 -3.219 1.00 0.00 C ATOM 1096 C ALA A 72 -14.740 2.036 -3.813 1.00 0.00 C ATOM 1097 O ALA A 72 -15.126 3.188 -3.867 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.353 1.517 -4.335 1.00 0.00 C ATOM 0 H ALA A 72 -12.780 -0.282 -2.637 1.00 0.00 H new ATOM 0 HA ALA A 72 -13.058 2.486 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.266 2.449 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.386 1.262 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.671 0.720 -5.007 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.478 1.055 -4.234 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.825 1.333 -4.796 1.00 0.00 C ATOM 1106 C GLY A 73 -17.673 1.985 -3.705 1.00 0.00 C ATOM 1107 O GLY A 73 -18.681 2.609 -3.975 1.00 0.00 O ATOM 0 H GLY A 73 -15.208 0.071 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.747 1.991 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.292 0.410 -5.139 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.272 1.832 -2.469 1.00 0.00 N ATOM 1112 CA GLN A 74 -18.050 2.429 -1.350 1.00 0.00 C ATOM 1113 C GLN A 74 -17.288 3.604 -0.718 1.00 0.00 C ATOM 1114 O GLN A 74 -17.847 4.346 0.064 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.324 1.357 -0.296 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.244 0.287 -0.885 1.00 0.00 C ATOM 1117 CD GLN A 74 -19.503 -0.796 0.164 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -18.736 -1.728 0.296 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -20.561 -0.709 0.923 1.00 0.00 N ATOM 0 H GLN A 74 -16.437 1.318 -2.189 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.993 2.809 -1.742 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.387 0.906 0.032 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.787 1.806 0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -20.186 0.736 -1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.787 -0.152 -1.772 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -21.205 0.074 0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -20.744 -1.424 1.627 1.00 0.00 H new ATOM 1128 N LEU A 75 -16.032 3.806 -1.051 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.304 4.972 -0.459 1.00 0.00 C ATOM 1130 C LEU A 75 -14.620 5.775 -1.559 1.00 0.00 C ATOM 1131 O LEU A 75 -14.740 5.486 -2.734 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.220 4.566 0.563 1.00 0.00 C ATOM 1133 CG LEU A 75 -14.029 3.049 0.628 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.761 2.673 -0.135 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.863 2.619 2.085 1.00 0.00 C ATOM 0 H LEU A 75 -15.491 3.227 -1.693 1.00 0.00 H new ATOM 0 HA LEU A 75 -16.061 5.559 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.275 5.039 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.495 4.939 1.550 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.896 2.555 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.618 1.593 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.855 2.987 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.903 3.170 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.727 1.539 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.991 3.114 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.752 2.898 2.650 1.00 0.00 H new ATOM 1147 N THR A 76 -13.896 6.782 -1.168 1.00 0.00 N ATOM 1148 CA THR A 76 -13.174 7.628 -2.150 1.00 0.00 C ATOM 1149 C THR A 76 -11.704 7.693 -1.744 1.00 0.00 C ATOM 1150 O THR A 76 -11.371 8.189 -0.690 1.00 0.00 O ATOM 1151 CB THR A 76 -13.772 9.035 -2.131 1.00 0.00 C ATOM 1152 OG1 THR A 76 -15.103 8.992 -2.627 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.927 9.969 -2.995 1.00 0.00 C ATOM 0 H THR A 76 -13.773 7.058 -0.194 1.00 0.00 H new ATOM 0 HA THR A 76 -13.265 7.209 -3.152 1.00 0.00 H new ATOM 0 HB THR A 76 -13.781 9.409 -1.107 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.487 9.894 -2.613 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.358 10.970 -2.978 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.910 10.005 -2.605 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.909 9.599 -4.020 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.823 7.199 -2.564 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.381 7.237 -2.202 1.00 0.00 C ATOM 1163 C ILE A 77 -8.809 8.599 -2.594 1.00 0.00 C ATOM 1164 O ILE A 77 -8.931 9.033 -3.722 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.633 6.130 -2.953 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.451 4.829 -2.907 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.268 5.901 -2.295 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.466 4.260 -1.486 1.00 0.00 C ATOM 0 H ILE A 77 -11.037 6.772 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.265 7.082 -1.129 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.491 6.429 -3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.471 5.021 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.024 4.098 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.735 5.114 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.687 6.822 -2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.410 5.604 -1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.049 3.339 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.445 4.049 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.915 4.986 -0.808 1.00 0.00 H new ATOM 1180 N ILE A 78 -8.195 9.284 -1.670 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.629 10.623 -1.994 1.00 0.00 C ATOM 1182 C ILE A 78 -6.223 10.462 -2.569 1.00 0.00 C ATOM 1183 O ILE A 78 -5.457 9.616 -2.150 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.593 11.483 -0.731 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.594 12.631 -0.875 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -6.190 12.058 -0.523 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.992 12.064 -1.144 1.00 0.00 C ATOM 0 H ILE A 78 -8.061 8.976 -0.707 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.257 11.115 -2.737 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.855 10.866 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.604 13.234 0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.294 13.288 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.177 12.669 0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.474 11.242 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.918 12.673 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.703 12.883 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.977 11.480 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.291 11.425 -0.313 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.897 11.258 -3.544 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.556 11.160 -4.185 1.00 0.00 C ATOM 1201 C GLU A 79 -3.635 12.277 -3.690 1.00 0.00 C ATOM 1202 O GLU A 79 -4.078 13.346 -3.321 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.722 11.276 -5.697 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.649 10.165 -6.190 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.782 10.245 -7.711 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -5.309 11.217 -8.278 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -6.354 9.332 -8.285 1.00 0.00 O ATOM 0 H GLU A 79 -6.506 11.980 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.108 10.201 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.135 12.251 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.752 11.200 -6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.253 9.192 -5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.629 10.262 -5.724 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.352 12.032 -3.692 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.384 13.072 -3.236 1.00 0.00 C ATOM 1217 C GLY A 80 -0.834 12.699 -1.861 1.00 0.00 C ATOM 1218 O GLY A 80 0.231 13.136 -1.471 1.00 0.00 O ATOM 0 H GLY A 80 -1.931 11.152 -3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.567 13.161 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.875 14.044 -3.190 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.549 11.896 -1.124 1.00 0.00 N ATOM 1223 CA PHE A 81 -1.057 11.496 0.223 1.00 0.00 C ATOM 1224 C PHE A 81 -0.645 10.027 0.210 1.00 0.00 C ATOM 1225 O PHE A 81 -1.411 9.163 -0.162 1.00 0.00 O ATOM 1226 CB PHE A 81 -2.168 11.682 1.253 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.727 11.062 2.557 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.896 9.689 2.768 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -1.145 11.855 3.550 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.484 9.109 3.974 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.734 11.277 4.755 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.904 9.904 4.967 1.00 0.00 C ATOM 0 H PHE A 81 -2.449 11.501 -1.395 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.200 12.118 0.482 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.381 12.742 1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.089 11.214 0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.345 9.076 2.000 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.013 12.914 3.387 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.614 8.049 4.137 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.285 11.890 5.522 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.587 9.458 5.898 1.00 0.00 H new ATOM 1242 N LYS A 82 0.550 9.730 0.641 1.00 0.00 N ATOM 1243 CA LYS A 82 0.984 8.309 0.676 1.00 0.00 C ATOM 1244 C LYS A 82 2.081 8.135 1.720 1.00 0.00 C ATOM 1245 O LYS A 82 3.049 8.869 1.757 1.00 0.00 O ATOM 1246 CB LYS A 82 1.518 7.876 -0.683 1.00 0.00 C ATOM 1247 CG LYS A 82 1.341 6.364 -0.820 1.00 0.00 C ATOM 1248 CD LYS A 82 1.795 5.915 -2.209 1.00 0.00 C ATOM 1249 CE LYS A 82 3.322 5.904 -2.283 1.00 0.00 C ATOM 1250 NZ LYS A 82 3.782 6.919 -3.272 1.00 0.00 N ATOM 0 H LYS A 82 1.240 10.407 0.968 1.00 0.00 H new ATOM 0 HA LYS A 82 0.123 7.692 0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.984 8.393 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.570 8.143 -0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.921 5.850 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.296 6.095 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.405 4.920 -2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.391 6.586 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.745 6.120 -1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.675 4.914 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.821 6.910 -3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.389 6.694 -4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.457 7.862 -2.978 1.00 0.00 H new ATOM 1264 N ARG A 83 1.932 7.161 2.564 1.00 0.00 N ATOM 1265 CA ARG A 83 2.954 6.912 3.614 1.00 0.00 C ATOM 1266 C ARG A 83 2.809 5.468 4.091 1.00 0.00 C ATOM 1267 O ARG A 83 1.709 4.982 4.265 1.00 0.00 O ATOM 1268 CB ARG A 83 2.714 7.860 4.792 1.00 0.00 C ATOM 1269 CG ARG A 83 3.893 7.787 5.763 1.00 0.00 C ATOM 1270 CD ARG A 83 5.022 8.695 5.271 1.00 0.00 C ATOM 1271 NE ARG A 83 6.205 8.548 6.164 1.00 0.00 N ATOM 1272 CZ ARG A 83 7.190 9.399 6.083 1.00 0.00 C ATOM 1273 NH1 ARG A 83 7.130 10.387 5.232 1.00 0.00 N ATOM 1274 NH2 ARG A 83 8.232 9.267 6.858 1.00 0.00 N ATOM 0 H ARG A 83 1.139 6.519 2.573 1.00 0.00 H new ATOM 0 HA ARG A 83 3.954 7.081 3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.592 8.881 4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.791 7.591 5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.575 8.093 6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.248 6.760 5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.292 8.435 4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.689 9.733 5.259 1.00 0.00 H new ATOM 0 HE ARG A 83 6.245 7.783 6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.313 10.493 4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.900 11.053 5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.276 8.498 7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.002 9.933 6.795 1.00 0.00 H new ATOM 1288 N GLU A 84 3.891 4.775 4.315 1.00 0.00 N ATOM 1289 CA GLU A 84 3.760 3.372 4.791 1.00 0.00 C ATOM 1290 C GLU A 84 4.372 3.232 6.178 1.00 0.00 C ATOM 1291 O GLU A 84 5.445 3.736 6.451 1.00 0.00 O ATOM 1292 CB GLU A 84 4.456 2.401 3.837 1.00 0.00 C ATOM 1293 CG GLU A 84 5.888 2.854 3.573 1.00 0.00 C ATOM 1294 CD GLU A 84 5.877 4.152 2.766 1.00 0.00 C ATOM 1295 OE1 GLU A 84 4.846 4.460 2.190 1.00 0.00 O ATOM 1296 OE2 GLU A 84 6.899 4.817 2.738 1.00 0.00 O ATOM 0 H GLU A 84 4.845 5.113 4.191 1.00 0.00 H new ATOM 0 HA GLU A 84 2.698 3.129 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.457 1.398 4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.906 2.346 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.412 3.006 4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.430 2.081 3.029 1.00 0.00 H new ATOM 1304 N LEU A 85 3.712 2.529 7.054 1.00 0.00 N ATOM 1305 CA LEU A 85 4.276 2.342 8.411 1.00 0.00 C ATOM 1306 C LEU A 85 5.030 1.016 8.416 1.00 0.00 C ATOM 1307 O LEU A 85 4.463 -0.030 8.175 1.00 0.00 O ATOM 1308 CB LEU A 85 3.147 2.311 9.445 1.00 0.00 C ATOM 1309 CG LEU A 85 2.191 3.481 9.196 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.306 3.705 10.423 1.00 0.00 C ATOM 1311 CD2 LEU A 85 2.990 4.754 8.908 1.00 0.00 C ATOM 0 H LEU A 85 2.812 2.079 6.887 1.00 0.00 H new ATOM 0 HA LEU A 85 4.947 3.163 8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.607 1.367 9.380 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.560 2.374 10.452 1.00 0.00 H new ATOM 0 HG LEU A 85 1.563 3.244 8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.630 4.539 10.236 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.725 2.804 10.622 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.932 3.931 11.286 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.304 5.582 8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.626 4.985 9.762 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.610 4.602 8.024 1.00 0.00 H new ATOM 1323 N ASN A 86 6.310 1.051 8.661 1.00 0.00 N ATOM 1324 CA ASN A 86 7.095 -0.213 8.649 1.00 0.00 C ATOM 1325 C ASN A 86 7.645 -0.493 10.044 1.00 0.00 C ATOM 1326 O ASN A 86 8.341 0.317 10.622 1.00 0.00 O ATOM 1327 CB ASN A 86 8.254 -0.067 7.663 1.00 0.00 C ATOM 1328 CG ASN A 86 7.717 0.433 6.320 1.00 0.00 C ATOM 1329 OD1 ASN A 86 6.526 0.606 6.158 1.00 0.00 O ATOM 1330 ND2 ASN A 86 8.548 0.670 5.343 1.00 0.00 N ATOM 0 H ASN A 86 6.843 1.895 8.868 1.00 0.00 H new ATOM 0 HA ASN A 86 6.453 -1.040 8.347 1.00 0.00 H new ATOM 0 HB2 ASN A 86 8.994 0.631 8.055 1.00 0.00 H new ATOM 0 HB3 ASN A 86 8.758 -1.025 7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.197 1.000 4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.549 0.525 5.478 1.00 0.00 H new ATOM 1337 N TYR A 87 7.346 -1.641 10.584 1.00 0.00 N ATOM 1338 CA TYR A 87 7.855 -1.985 11.934 1.00 0.00 C ATOM 1339 C TYR A 87 7.659 -3.474 12.181 1.00 0.00 C ATOM 1340 O TYR A 87 6.775 -4.095 11.625 1.00 0.00 O ATOM 1341 CB TYR A 87 7.094 -1.187 12.989 1.00 0.00 C ATOM 1342 CG TYR A 87 5.611 -1.413 12.825 1.00 0.00 C ATOM 1343 CD1 TYR A 87 4.997 -2.516 13.433 1.00 0.00 C ATOM 1344 CD2 TYR A 87 4.844 -0.518 12.065 1.00 0.00 C ATOM 1345 CE1 TYR A 87 3.621 -2.724 13.280 1.00 0.00 C ATOM 1346 CE2 TYR A 87 3.468 -0.728 11.914 1.00 0.00 C ATOM 1347 CZ TYR A 87 2.858 -1.830 12.521 1.00 0.00 C ATOM 1348 OH TYR A 87 1.500 -2.034 12.373 1.00 0.00 O ATOM 0 H TYR A 87 6.768 -2.357 10.144 1.00 0.00 H new ATOM 0 HA TYR A 87 8.915 -1.741 11.996 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.410 -1.491 13.987 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.323 -0.126 12.892 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.585 -3.206 14.020 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.315 0.333 11.596 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.148 -3.575 13.748 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.878 -0.039 11.329 1.00 0.00 H new ATOM 0 HH TYR A 87 1.121 -1.321 11.817 1.00 0.00 H new ATOM 1444 N PRO A 93 8.881 -7.747 10.205 1.00 0.00 N ATOM 1445 CA PRO A 93 8.682 -6.335 9.764 1.00 0.00 C ATOM 1446 C PRO A 93 7.642 -6.228 8.664 1.00 0.00 C ATOM 1447 O PRO A 93 7.718 -6.912 7.667 1.00 0.00 O ATOM 1448 CB PRO A 93 10.044 -5.927 9.232 1.00 0.00 C ATOM 1449 CG PRO A 93 10.666 -7.195 8.760 1.00 0.00 C ATOM 1450 CD PRO A 93 10.110 -8.317 9.635 1.00 0.00 C ATOM 0 HA PRO A 93 8.322 -5.703 10.576 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.951 -5.206 8.420 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.647 -5.456 10.009 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.432 -7.372 7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 93 11.752 -7.145 8.840 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.901 -9.213 9.050 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.816 -8.603 10.414 1.00 0.00 H new ATOM 1458 N LYS A 94 6.678 -5.377 8.832 1.00 0.00 N ATOM 1459 CA LYS A 94 5.627 -5.242 7.787 1.00 0.00 C ATOM 1460 C LYS A 94 5.561 -3.815 7.262 1.00 0.00 C ATOM 1461 O LYS A 94 5.312 -2.883 7.997 1.00 0.00 O ATOM 1462 CB LYS A 94 4.266 -5.598 8.389 1.00 0.00 C ATOM 1463 CG LYS A 94 3.184 -5.458 7.315 1.00 0.00 C ATOM 1464 CD LYS A 94 1.849 -5.084 7.968 1.00 0.00 C ATOM 1465 CE LYS A 94 1.256 -6.305 8.654 1.00 0.00 C ATOM 1466 NZ LYS A 94 -0.117 -5.990 9.146 1.00 0.00 N ATOM 0 H LYS A 94 6.569 -4.769 9.644 1.00 0.00 H new ATOM 0 HA LYS A 94 5.875 -5.914 6.966 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.282 -6.617 8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.045 -4.942 9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.472 -4.694 6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.081 -6.394 6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.999 -4.284 8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.158 -4.706 7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.220 -7.143 7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.890 -6.610 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.519 -6.827 9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.071 -5.203 9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.720 -5.720 8.343 1.00 0.00 H new ATOM 1480 N THR A 95 5.720 -3.646 5.978 1.00 0.00 N ATOM 1481 CA THR A 95 5.598 -2.285 5.403 1.00 0.00 C ATOM 1482 C THR A 95 4.122 -2.077 5.097 1.00 0.00 C ATOM 1483 O THR A 95 3.529 -2.821 4.341 1.00 0.00 O ATOM 1484 CB THR A 95 6.411 -2.169 4.108 1.00 0.00 C ATOM 1485 OG1 THR A 95 7.795 -2.113 4.424 1.00 0.00 O ATOM 1486 CG2 THR A 95 6.000 -0.898 3.354 1.00 0.00 C ATOM 0 H THR A 95 5.928 -4.388 5.310 1.00 0.00 H new ATOM 0 HA THR A 95 5.977 -1.537 6.100 1.00 0.00 H new ATOM 0 HB THR A 95 6.218 -3.037 3.478 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.317 -2.040 3.598 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.579 -0.817 2.434 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.938 -0.946 3.112 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.190 -0.026 3.980 1.00 0.00 H new ATOM 1494 N VAL A 96 3.515 -1.096 5.686 1.00 0.00 N ATOM 1495 CA VAL A 96 2.071 -0.880 5.436 1.00 0.00 C ATOM 1496 C VAL A 96 1.869 0.446 4.714 1.00 0.00 C ATOM 1497 O VAL A 96 2.202 1.487 5.228 1.00 0.00 O ATOM 1498 CB VAL A 96 1.344 -0.843 6.781 1.00 0.00 C ATOM 1499 CG1 VAL A 96 -0.160 -0.686 6.549 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.607 -2.146 7.541 1.00 0.00 C ATOM 0 H VAL A 96 3.953 -0.435 6.328 1.00 0.00 H new ATOM 0 HA VAL A 96 1.676 -1.686 4.818 1.00 0.00 H new ATOM 0 HB VAL A 96 1.711 0.001 7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.675 -0.660 7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.350 0.242 6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.528 -1.528 5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.089 -2.119 8.500 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.242 -2.989 6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.678 -2.258 7.711 1.00 0.00 H new ATOM 1510 N ILE A 97 1.300 0.415 3.540 1.00 0.00 N ATOM 1511 CA ILE A 97 1.059 1.681 2.795 1.00 0.00 C ATOM 1512 C ILE A 97 -0.381 2.109 3.050 1.00 0.00 C ATOM 1513 O ILE A 97 -1.302 1.338 2.878 1.00 0.00 O ATOM 1514 CB ILE A 97 1.281 1.446 1.297 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.687 0.864 1.081 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.130 2.765 0.531 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.649 1.949 0.580 1.00 0.00 C ATOM 0 H ILE A 97 0.992 -0.433 3.065 1.00 0.00 H new ATOM 0 HA ILE A 97 1.746 2.459 3.128 1.00 0.00 H new ATOM 0 HB ILE A 97 0.537 0.742 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.060 0.443 2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.642 0.049 0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.289 2.588 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.127 3.163 0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.866 3.483 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.639 1.518 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.284 2.350 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.708 2.751 1.316 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.583 3.320 3.490 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.971 3.765 3.786 1.00 0.00 C ATOM 1531 C TYR A 98 -2.409 4.879 2.842 1.00 0.00 C ATOM 1532 O TYR A 98 -1.723 5.862 2.646 1.00 0.00 O ATOM 1533 CB TYR A 98 -2.039 4.306 5.212 1.00 0.00 C ATOM 1534 CG TYR A 98 -2.030 3.173 6.212 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -3.079 2.246 6.237 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.977 3.062 7.126 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -3.074 1.208 7.176 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.972 2.026 8.067 1.00 0.00 C ATOM 1539 CZ TYR A 98 -2.021 1.098 8.093 1.00 0.00 C ATOM 1540 OH TYR A 98 -2.017 0.079 9.025 1.00 0.00 O ATOM 0 H TYR A 98 0.146 4.014 3.656 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.629 2.905 3.659 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.193 4.968 5.396 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.943 4.902 5.338 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.892 2.332 5.532 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.167 3.776 7.106 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.882 0.492 7.193 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.159 1.942 8.773 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.214 0.149 9.583 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.585 4.745 2.302 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.138 5.798 1.417 1.00 0.00 C ATOM 1552 C TRP A 99 -5.342 6.402 2.138 1.00 0.00 C ATOM 1553 O TRP A 99 -6.085 5.701 2.796 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.594 5.182 0.092 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.467 5.180 -0.890 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -3.028 6.262 -1.573 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.640 4.061 -1.317 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.983 5.877 -2.394 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.705 4.530 -2.271 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.609 2.698 -0.973 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.774 3.677 -2.862 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.673 1.837 -1.566 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.758 2.326 -2.510 1.00 0.00 C ATOM 0 H TRP A 99 -4.194 3.938 2.440 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.385 6.556 1.202 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -4.944 4.163 0.257 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.435 5.747 -0.310 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.428 7.262 -1.491 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.479 6.511 -3.014 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.310 2.311 -0.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.070 4.059 -3.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.657 0.792 -1.294 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.041 1.658 -2.964 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.554 7.681 2.039 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.723 8.268 2.748 1.00 0.00 C ATOM 1576 C LEU A 100 -7.987 7.885 1.982 1.00 0.00 C ATOM 1577 O LEU A 100 -8.026 7.936 0.770 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.592 9.792 2.795 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.119 10.179 2.926 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -5.009 11.678 3.214 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.473 9.393 4.068 1.00 0.00 C ATOM 0 H LEU A 100 -4.981 8.337 1.508 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.770 7.890 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.014 10.231 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.159 10.190 3.637 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.604 9.946 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.959 11.954 3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.461 12.240 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.529 11.909 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.423 9.674 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.988 9.619 5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.547 8.325 3.862 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.017 7.484 2.675 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.266 7.081 1.968 1.00 0.00 C ATOM 1595 C ALA A 101 -11.485 7.659 2.682 1.00 0.00 C ATOM 1596 O ALA A 101 -11.459 7.915 3.868 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.373 5.555 1.951 1.00 0.00 C ATOM 0 H ALA A 101 -9.049 7.418 3.692 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.232 7.463 0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.286 5.260 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.511 5.136 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.398 5.181 2.974 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.555 7.858 1.965 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.786 8.411 2.593 1.00 0.00 C ATOM 1605 C GLU A 102 -14.977 7.523 2.232 1.00 0.00 C ATOM 1606 O GLU A 102 -15.268 7.316 1.072 1.00 0.00 O ATOM 1607 CB GLU A 102 -14.034 9.824 2.062 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.278 10.416 2.726 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.619 11.754 2.069 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -16.604 12.353 2.466 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -14.891 12.156 1.175 1.00 0.00 O ATOM 0 H GLU A 102 -12.630 7.661 0.967 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.663 8.442 3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.168 10.455 2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.165 9.798 0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.117 9.727 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.102 10.557 3.792 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.676 7.005 3.207 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.846 6.146 2.887 1.00 0.00 C ATOM 1621 C VAL A 103 -18.019 7.040 2.480 1.00 0.00 C ATOM 1622 O VAL A 103 -18.319 8.031 3.113 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.205 5.274 4.090 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.950 4.570 4.575 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.748 6.129 5.226 1.00 0.00 C ATOM 0 H VAL A 103 -15.488 7.139 4.200 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.605 5.480 2.058 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.965 4.553 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.193 3.944 5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.549 3.948 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.206 5.312 4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.998 5.491 6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.993 6.855 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.642 6.654 4.891 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.650 6.706 1.392 1.00 0.00 N ATOM 1636 CA LYS A 104 -19.780 7.532 0.872 1.00 0.00 C ATOM 1637 C LYS A 104 -20.896 7.677 1.908 1.00 0.00 C ATOM 1638 O LYS A 104 -21.468 8.739 2.065 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.349 6.827 -0.352 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.251 6.671 -1.401 1.00 0.00 C ATOM 1641 CD LYS A 104 -19.780 5.819 -2.550 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.629 5.468 -3.492 1.00 0.00 C ATOM 1643 NZ LYS A 104 -19.176 5.134 -4.837 1.00 0.00 N ATOM 0 H LYS A 104 -18.430 5.884 0.830 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.406 8.527 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -20.742 5.850 -0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.181 7.400 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -18.940 7.649 -1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -18.372 6.203 -0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -20.238 4.909 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -20.556 6.360 -3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.937 6.307 -3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -18.065 4.623 -3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.561 5.538 -5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -19.216 4.101 -4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -20.133 5.530 -4.931 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.240 6.622 2.593 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.356 6.719 3.580 1.00 0.00 C ATOM 1659 C ASP A 105 -21.826 6.851 5.003 1.00 0.00 C ATOM 1660 O ASP A 105 -20.959 6.123 5.428 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.223 5.468 3.490 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.700 5.865 3.495 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.488 5.148 2.900 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.016 6.880 4.092 1.00 0.00 O ATOM 0 H ASP A 105 -20.802 5.704 2.515 1.00 0.00 H new ATOM 0 HA ASP A 105 -22.942 7.607 3.343 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.988 4.915 2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.011 4.806 4.329 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.375 7.765 5.754 1.00 0.00 N ATOM 1671 CA TYR A 106 -21.935 7.929 7.168 1.00 0.00 C ATOM 1672 C TYR A 106 -22.262 6.639 7.921 1.00 0.00 C ATOM 1673 O TYR A 106 -21.482 6.151 8.716 1.00 0.00 O ATOM 1674 CB TYR A 106 -22.679 9.103 7.808 1.00 0.00 C ATOM 1675 CG TYR A 106 -22.213 9.282 9.234 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -20.994 9.915 9.496 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -23.003 8.815 10.291 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -20.563 10.082 10.817 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -22.573 8.983 11.613 1.00 0.00 C ATOM 1680 CZ TYR A 106 -21.351 9.616 11.876 1.00 0.00 C ATOM 1681 OH TYR A 106 -20.926 9.777 13.178 1.00 0.00 O ATOM 0 H TYR A 106 -23.109 8.405 5.450 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.864 8.130 7.209 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.498 10.015 7.239 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -23.753 8.921 7.786 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.385 10.275 8.679 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -23.944 8.325 10.087 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.622 10.571 11.020 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.183 8.625 12.429 1.00 0.00 H new ATOM 0 HH TYR A 106 -21.592 9.398 13.789 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.413 6.080 7.657 1.00 0.00 N ATOM 1692 CA ASP A 107 -23.806 4.812 8.330 1.00 0.00 C ATOM 1693 C ASP A 107 -23.401 3.638 7.441 1.00 0.00 C ATOM 1694 O ASP A 107 -23.871 2.530 7.601 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.322 4.794 8.558 1.00 0.00 C ATOM 1696 CG ASP A 107 -26.051 4.790 7.212 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -25.402 4.533 6.209 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -27.242 5.043 7.205 1.00 0.00 O ATOM 0 H ASP A 107 -24.100 6.451 7.000 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.305 4.734 9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -25.601 3.913 9.135 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.621 5.665 9.141 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.530 3.883 6.494 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.080 2.798 5.577 1.00 0.00 C ATOM 1706 C VAL A 108 -21.948 1.498 6.368 1.00 0.00 C ATOM 1707 O VAL A 108 -21.581 1.496 7.525 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.728 3.188 4.975 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.774 3.568 6.100 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.139 2.018 4.186 1.00 0.00 C ATOM 0 H VAL A 108 -22.110 4.796 6.318 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.804 2.655 4.775 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.868 4.032 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.808 3.847 5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.185 4.411 6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.646 2.718 6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.178 2.311 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -19.999 1.165 4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.820 1.743 3.381 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.267 0.393 5.757 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.184 -0.903 6.476 1.00 0.00 C ATOM 1722 C GLU A 109 -20.741 -1.204 6.859 1.00 0.00 C ATOM 1723 O GLU A 109 -19.805 -0.876 6.157 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.726 -2.026 5.589 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.586 -2.952 5.163 1.00 0.00 C ATOM 1726 CD GLU A 109 -22.099 -3.950 4.122 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -21.276 -4.539 3.441 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -23.304 -4.110 4.025 1.00 0.00 O ATOM 0 H GLU A 109 -22.582 0.333 4.789 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.784 -0.838 7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.484 -2.593 6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -23.211 -1.604 4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.765 -2.368 4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.193 -3.484 6.029 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.572 -1.841 7.972 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.210 -2.207 8.445 1.00 0.00 C ATOM 1738 C ILE A 110 -19.135 -3.721 8.651 1.00 0.00 C ATOM 1739 O ILE A 110 -19.832 -4.280 9.475 1.00 0.00 O ATOM 1740 CB ILE A 110 -18.914 -1.485 9.760 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -18.797 0.023 9.507 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.608 -2.012 10.348 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.670 0.293 8.505 1.00 0.00 C ATOM 0 H ILE A 110 -21.330 -2.131 8.589 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.471 -1.909 7.702 1.00 0.00 H new ATOM 0 HB ILE A 110 -19.726 -1.667 10.464 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.740 0.411 9.122 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.597 0.544 10.443 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.397 -1.497 11.285 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -17.698 -3.082 10.534 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -16.794 -1.834 9.645 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.590 1.366 8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.728 -0.080 8.908 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.889 -0.215 7.566 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.290 -4.388 7.913 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.172 -5.864 8.069 1.00 0.00 C ATOM 1757 C ARG A 111 -16.828 -6.195 8.698 1.00 0.00 C ATOM 1758 O ARG A 111 -15.788 -6.055 8.087 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.277 -6.527 6.698 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.699 -6.338 6.177 1.00 0.00 C ATOM 1761 CD ARG A 111 -19.804 -6.845 4.738 1.00 0.00 C ATOM 1762 NE ARG A 111 -21.212 -6.699 4.275 1.00 0.00 N ATOM 1763 CZ ARG A 111 -21.637 -7.378 3.246 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -20.818 -8.160 2.597 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -22.879 -7.270 2.862 1.00 0.00 N ATOM 0 H ARG A 111 -17.677 -3.975 7.210 1.00 0.00 H new ATOM 0 HA ARG A 111 -18.973 -6.233 8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.559 -6.085 6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -18.038 -7.588 6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.402 -6.877 6.813 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -19.973 -5.284 6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -19.134 -6.280 4.090 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -19.496 -7.889 4.683 1.00 0.00 H new ATOM 0 HE ARG A 111 -21.845 -6.066 4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -19.846 -8.240 2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -21.150 -8.691 1.792 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -23.517 -6.655 3.367 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -23.212 -7.801 2.057 1.00 0.00 H new ATOM 1779 N LEU A 112 -16.846 -6.627 9.922 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.571 -6.965 10.605 1.00 0.00 C ATOM 1781 C LEU A 112 -15.305 -8.464 10.468 1.00 0.00 C ATOM 1782 O LEU A 112 -16.199 -9.277 10.582 1.00 0.00 O ATOM 1783 CB LEU A 112 -15.661 -6.606 12.092 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.103 -5.148 12.284 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -15.523 -4.631 13.601 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.601 -4.262 11.136 1.00 0.00 C ATOM 0 H LEU A 112 -17.689 -6.761 10.481 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.760 -6.399 10.146 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.368 -7.272 12.588 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.692 -6.761 12.566 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.192 -5.111 12.297 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -15.829 -3.596 13.752 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -15.891 -5.242 14.425 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -14.435 -4.687 13.566 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -15.929 -3.235 11.299 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.512 -4.294 11.101 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -16.005 -4.627 10.192 1.00 0.00 H new ATOM 1798 N SER A 113 -14.078 -8.833 10.233 1.00 0.00 N ATOM 1799 CA SER A 113 -13.743 -10.279 10.098 1.00 0.00 C ATOM 1800 C SER A 113 -13.370 -10.834 11.472 1.00 0.00 C ATOM 1801 O SER A 113 -13.230 -10.101 12.429 1.00 0.00 O ATOM 1802 CB SER A 113 -12.562 -10.442 9.140 1.00 0.00 C ATOM 1803 OG SER A 113 -11.383 -9.943 9.756 1.00 0.00 O ATOM 0 H SER A 113 -13.290 -8.194 10.128 1.00 0.00 H new ATOM 0 HA SER A 113 -14.602 -10.822 9.704 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.433 -11.493 8.880 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.756 -9.905 8.211 1.00 0.00 H new ATOM 0 HG SER A 113 -10.625 -10.048 9.144 1.00 0.00 H new ATOM 1809 N HIS A 114 -13.209 -12.122 11.580 1.00 0.00 N ATOM 1810 CA HIS A 114 -12.844 -12.711 12.898 1.00 0.00 C ATOM 1811 C HIS A 114 -11.664 -11.931 13.483 1.00 0.00 C ATOM 1812 O HIS A 114 -11.593 -11.690 14.670 1.00 0.00 O ATOM 1813 CB HIS A 114 -12.446 -14.175 12.707 1.00 0.00 C ATOM 1814 CG HIS A 114 -12.170 -14.803 14.045 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -10.948 -14.663 14.687 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -12.943 -15.579 14.872 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -11.021 -15.341 15.848 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -12.215 -15.915 16.006 1.00 0.00 N ATOM 0 H HIS A 114 -13.314 -12.790 10.817 1.00 0.00 H new ATOM 0 HA HIS A 114 -13.695 -12.654 13.577 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -13.244 -14.716 12.198 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -11.562 -14.242 12.073 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -13.960 -15.882 14.672 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -10.214 -15.411 16.562 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -12.528 -16.482 16.794 1.00 0.00 H new ATOM 1827 N GLU A 115 -10.741 -11.530 12.651 1.00 0.00 N ATOM 1828 CA GLU A 115 -9.567 -10.760 13.152 1.00 0.00 C ATOM 1829 C GLU A 115 -10.043 -9.451 13.787 1.00 0.00 C ATOM 1830 O GLU A 115 -9.420 -8.928 14.690 1.00 0.00 O ATOM 1831 CB GLU A 115 -8.628 -10.449 11.985 1.00 0.00 C ATOM 1832 CG GLU A 115 -7.357 -9.785 12.517 1.00 0.00 C ATOM 1833 CD GLU A 115 -6.460 -9.384 11.344 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -5.378 -8.882 11.597 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -6.872 -9.586 10.214 1.00 0.00 O ATOM 0 H GLU A 115 -10.749 -11.703 11.646 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.038 -11.352 13.899 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.376 -11.366 11.452 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.123 -9.791 11.271 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.614 -8.906 13.109 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -6.825 -10.470 13.177 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.138 -8.912 13.318 1.00 0.00 N ATOM 1844 CA HIS A 116 -11.646 -7.634 13.894 1.00 0.00 C ATOM 1845 C HIS A 116 -12.856 -7.911 14.790 1.00 0.00 C ATOM 1846 O HIS A 116 -13.738 -8.676 14.449 1.00 0.00 O ATOM 1847 CB HIS A 116 -12.040 -6.694 12.754 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.798 -6.216 12.054 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -9.981 -5.228 12.587 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -10.215 -6.583 10.867 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.961 -5.037 11.732 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -9.059 -5.837 10.667 1.00 0.00 N ATOM 0 H HIS A 116 -11.701 -9.302 12.562 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.866 -7.167 14.496 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.692 -7.211 12.050 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.601 -5.845 13.144 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -10.596 -7.335 10.192 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -8.163 -4.326 11.887 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -8.420 -5.890 9.874 1.00 0.00 H new ATOM 1861 N GLN A 117 -12.886 -7.306 15.947 1.00 0.00 N ATOM 1862 CA GLN A 117 -14.014 -7.533 16.899 1.00 0.00 C ATOM 1863 C GLN A 117 -15.100 -6.465 16.735 1.00 0.00 C ATOM 1864 O GLN A 117 -16.263 -6.773 16.565 1.00 0.00 O ATOM 1865 CB GLN A 117 -13.463 -7.482 18.325 1.00 0.00 C ATOM 1866 CG GLN A 117 -14.609 -7.507 19.339 1.00 0.00 C ATOM 1867 CD GLN A 117 -14.030 -7.628 20.749 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -12.838 -7.804 20.916 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -14.824 -7.542 21.780 1.00 0.00 N ATOM 0 H GLN A 117 -12.171 -6.658 16.277 1.00 0.00 H new ATOM 0 HA GLN A 117 -14.462 -8.505 16.692 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.799 -8.329 18.496 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.868 -6.578 18.460 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -15.205 -6.598 19.254 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -15.275 -8.345 19.133 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -15.824 -7.394 21.643 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -14.445 -7.622 22.724 1.00 0.00 H new ATOM 1878 N ALA A 118 -14.740 -5.215 16.808 1.00 0.00 N ATOM 1879 CA ALA A 118 -15.762 -4.136 16.684 1.00 0.00 C ATOM 1880 C ALA A 118 -15.122 -2.882 16.085 1.00 0.00 C ATOM 1881 O ALA A 118 -13.914 -2.762 16.023 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.320 -3.819 18.071 1.00 0.00 C ATOM 0 H ALA A 118 -13.783 -4.892 16.948 1.00 0.00 H new ATOM 0 HA ALA A 118 -16.568 -4.467 16.030 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -17.068 -3.031 17.991 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -16.779 -4.714 18.492 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.511 -3.486 18.721 1.00 0.00 H new ATOM 1888 N TYR A 119 -15.919 -1.946 15.639 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.347 -0.705 15.040 1.00 0.00 C ATOM 1890 C TYR A 119 -16.024 0.535 15.639 1.00 0.00 C ATOM 1891 O TYR A 119 -17.115 0.466 16.171 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.578 -0.716 13.532 1.00 0.00 C ATOM 1893 CG TYR A 119 -17.030 -0.421 13.244 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -17.960 -1.464 13.200 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.444 0.897 13.019 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.304 -1.194 12.928 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.791 1.167 12.749 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.721 0.123 12.704 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.047 0.390 12.436 1.00 0.00 O ATOM 0 H TYR A 119 -16.938 -1.987 15.664 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.279 -0.671 15.255 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -14.942 0.027 13.050 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.304 -1.686 13.118 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.639 -2.480 13.377 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.726 1.703 13.054 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -20.020 -2.001 12.891 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.113 2.183 12.575 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.167 1.354 12.306 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.383 1.672 15.543 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.980 2.925 16.093 1.00 0.00 C ATOM 1911 C ARG A 120 -15.651 4.103 15.171 1.00 0.00 C ATOM 1912 O ARG A 120 -14.627 4.122 14.515 1.00 0.00 O ATOM 1913 CB ARG A 120 -15.394 3.227 17.474 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.818 2.156 18.477 1.00 0.00 C ATOM 1915 CD ARG A 120 -15.312 2.547 19.865 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.479 1.401 20.800 1.00 0.00 N ATOM 1917 CZ ARG A 120 -15.419 1.598 22.089 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -15.239 2.803 22.555 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -15.543 0.593 22.910 1.00 0.00 N ATOM 0 H ARG A 120 -14.469 1.786 15.106 1.00 0.00 H new ATOM 0 HA ARG A 120 -17.059 2.787 16.166 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -14.306 3.268 17.414 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.732 4.206 17.813 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.903 2.057 18.486 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.412 1.187 18.187 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.262 2.836 19.812 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.863 3.413 20.233 1.00 0.00 H new ATOM 0 HE ARG A 120 -15.640 0.463 20.434 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -15.145 3.590 21.912 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -15.192 2.959 23.562 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -15.687 -0.349 22.545 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -15.496 0.748 23.917 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.492 5.097 15.148 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.212 6.294 14.306 1.00 0.00 C ATOM 1935 C TRP A 121 -15.838 7.446 15.235 1.00 0.00 C ATOM 1936 O TRP A 121 -16.669 7.976 15.946 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.453 6.663 13.488 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.534 5.767 12.298 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.323 4.675 12.197 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.805 5.866 11.043 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -18.124 4.094 10.957 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.198 4.794 10.207 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -15.851 6.776 10.551 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.661 4.629 8.931 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.311 6.613 9.269 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.715 5.544 8.460 1.00 0.00 C ATOM 0 H TRP A 121 -17.364 5.133 15.677 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.396 6.086 13.613 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.350 6.561 14.098 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.400 7.705 13.172 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.998 4.315 12.959 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.602 3.252 10.636 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.533 7.605 11.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -16.973 3.801 8.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.578 7.316 8.902 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.296 5.426 7.472 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.587 7.818 15.261 1.00 0.00 N ATOM 1958 CA LEU A 122 -14.159 8.916 16.173 1.00 0.00 C ATOM 1959 C LEU A 122 -13.360 9.964 15.401 1.00 0.00 C ATOM 1960 O LEU A 122 -13.026 9.783 14.247 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.280 8.346 17.291 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.604 6.863 17.534 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.454 5.996 17.021 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.795 6.617 19.035 1.00 0.00 C ATOM 0 H LEU A 122 -13.845 7.410 14.692 1.00 0.00 H new ATOM 0 HA LEU A 122 -15.048 9.380 16.599 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.229 8.455 17.025 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.437 8.913 18.209 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.520 6.604 17.003 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.685 4.945 17.194 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.318 6.167 15.953 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.537 6.257 17.550 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -14.025 5.565 19.205 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.880 6.879 19.566 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.617 7.232 19.403 1.00 0.00 H new ATOM 1976 N GLY A 123 -13.048 11.059 16.040 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.267 12.126 15.358 1.00 0.00 C ATOM 1978 C GLY A 123 -10.777 11.792 15.436 1.00 0.00 C ATOM 1979 O GLY A 123 -10.388 10.750 15.928 1.00 0.00 O ATOM 0 H GLY A 123 -13.302 11.259 17.007 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.578 12.211 14.317 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.460 13.090 15.828 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.939 12.663 14.950 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.474 12.393 14.989 1.00 0.00 C ATOM 1985 C LEU A 124 -8.003 12.201 16.434 1.00 0.00 C ATOM 1986 O LEU A 124 -7.186 11.350 16.722 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.731 13.576 14.368 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.222 13.369 14.505 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.832 12.012 13.921 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.489 14.474 13.742 1.00 0.00 C ATOM 0 H LEU A 124 -10.205 13.552 14.527 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.266 11.482 14.428 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.000 13.675 13.316 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -8.027 14.502 14.861 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.948 13.402 15.559 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.756 11.869 14.021 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.355 11.221 14.458 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.107 11.977 12.867 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.413 14.330 13.837 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.768 14.436 12.689 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.763 15.445 14.155 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.498 12.997 17.342 1.00 0.00 N ATOM 2003 CA GLU A 125 -8.064 12.872 18.765 1.00 0.00 C ATOM 2004 C GLU A 125 -8.346 11.461 19.283 1.00 0.00 C ATOM 2005 O GLU A 125 -7.463 10.784 19.771 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.830 13.891 19.616 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.328 13.566 19.591 1.00 0.00 C ATOM 2008 CD GLU A 125 -11.108 14.697 20.263 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -12.326 14.653 20.226 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -10.473 15.588 20.803 1.00 0.00 O ATOM 0 H GLU A 125 -9.185 13.729 17.161 1.00 0.00 H new ATOM 0 HA GLU A 125 -6.993 13.063 18.830 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.461 13.872 20.642 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.660 14.898 19.235 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.666 13.438 18.563 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.515 12.624 20.107 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.563 11.010 19.183 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.889 9.643 19.670 1.00 0.00 C ATOM 2020 C GLU A 126 -9.256 8.621 18.736 1.00 0.00 C ATOM 2021 O GLU A 126 -8.622 7.680 19.165 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.399 9.456 19.676 1.00 0.00 C ATOM 2023 CG GLU A 126 -11.944 9.638 21.093 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.331 10.884 21.737 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -10.276 10.761 22.337 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -11.938 11.937 21.632 1.00 0.00 O ATOM 0 H GLU A 126 -10.346 11.529 18.785 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.504 9.508 20.681 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.865 10.176 19.003 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.652 8.463 19.305 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -13.030 9.731 21.064 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.715 8.758 21.695 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.399 8.802 17.458 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.776 7.836 16.529 1.00 0.00 C ATOM 2036 C ALA A 127 -7.309 7.728 16.919 1.00 0.00 C ATOM 2037 O ALA A 127 -6.686 6.692 16.794 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.903 8.346 15.095 1.00 0.00 C ATOM 0 H ALA A 127 -9.914 9.567 17.023 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.264 6.863 16.586 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.443 7.631 14.413 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.957 8.462 14.842 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.400 9.309 15.005 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.765 8.800 17.424 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.348 8.790 17.866 1.00 0.00 C ATOM 2046 C CYS A 128 -5.262 8.140 19.248 1.00 0.00 C ATOM 2047 O CYS A 128 -4.361 7.378 19.532 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.835 10.229 17.944 1.00 0.00 C ATOM 2049 SG CYS A 128 -4.244 10.751 16.317 1.00 0.00 S ATOM 0 H CYS A 128 -7.248 9.689 17.549 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.741 8.226 17.158 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -5.631 10.892 18.283 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -4.029 10.299 18.675 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.810 11.975 16.385 1.00 0.00 H new ATOM 2055 N GLN A 129 -6.195 8.435 20.114 1.00 0.00 N ATOM 2056 CA GLN A 129 -6.158 7.835 21.479 1.00 0.00 C ATOM 2057 C GLN A 129 -6.261 6.310 21.375 1.00 0.00 C ATOM 2058 O GLN A 129 -5.517 5.589 22.008 1.00 0.00 O ATOM 2059 CB GLN A 129 -7.314 8.402 22.318 1.00 0.00 C ATOM 2060 CG GLN A 129 -8.567 7.532 22.199 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.443 6.314 23.121 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -7.376 6.023 23.622 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.502 5.594 23.375 1.00 0.00 N ATOM 0 H GLN A 129 -6.978 9.063 19.936 1.00 0.00 H new ATOM 0 HA GLN A 129 -5.216 8.085 21.967 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -7.011 8.465 23.363 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.541 9.416 21.990 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.450 8.112 22.465 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.698 7.207 21.167 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.398 5.839 22.954 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.433 4.787 23.995 1.00 0.00 H new ATOM 2072 N LEU A 130 -7.162 5.817 20.576 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.297 4.339 20.424 1.00 0.00 C ATOM 2074 C LEU A 130 -6.068 3.794 19.692 1.00 0.00 C ATOM 2075 O LEU A 130 -5.524 2.767 20.046 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.544 4.022 19.602 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.794 4.433 20.379 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.815 5.035 19.419 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.407 3.202 21.046 1.00 0.00 C ATOM 0 H LEU A 130 -7.813 6.372 20.020 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.379 3.879 21.409 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.507 4.550 18.649 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.580 2.957 19.375 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.521 5.167 21.137 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.707 5.328 19.973 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.385 5.911 18.933 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -11.084 4.297 18.664 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.299 3.495 21.600 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.677 2.472 20.283 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.683 2.761 21.731 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.625 4.483 18.674 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.430 4.017 17.922 1.00 0.00 C ATOM 2093 C ALA A 131 -3.182 4.400 18.711 1.00 0.00 C ATOM 2094 O ALA A 131 -2.297 5.071 18.220 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.398 4.682 16.545 1.00 0.00 C ATOM 0 H ALA A 131 -6.042 5.349 18.333 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.468 2.936 17.789 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.521 4.339 15.996 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.299 4.417 15.992 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.351 5.764 16.665 1.00 0.00 H new ATOM 2101 N GLN A 132 -3.123 3.976 19.942 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.960 4.307 20.814 1.00 0.00 C ATOM 2103 C GLN A 132 -0.669 4.293 20.000 1.00 0.00 C ATOM 2104 O GLN A 132 0.233 5.070 20.243 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.850 3.263 21.928 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.880 2.149 21.706 1.00 0.00 C ATOM 2107 CD GLN A 132 -4.240 2.575 22.260 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -5.204 1.841 22.161 1.00 0.00 O ATOM 2109 NE2 GLN A 132 -4.364 3.734 22.845 1.00 0.00 N ATOM 0 H GLN A 132 -3.842 3.406 20.388 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.110 5.300 21.238 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.845 2.842 21.945 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.015 3.734 22.897 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -2.965 1.928 20.642 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.549 1.234 22.196 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -3.557 4.352 22.929 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -5.268 4.023 23.218 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.562 3.418 19.043 1.00 0.00 N ATOM 2119 CA PHE A 133 0.687 3.369 18.236 1.00 0.00 C ATOM 2120 C PHE A 133 0.947 4.752 17.628 1.00 0.00 C ATOM 2121 O PHE A 133 0.110 5.316 16.953 1.00 0.00 O ATOM 2122 CB PHE A 133 0.528 2.322 17.137 1.00 0.00 C ATOM 2123 CG PHE A 133 0.399 0.965 17.784 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -0.838 0.551 18.295 1.00 0.00 C ATOM 2125 CD2 PHE A 133 1.514 0.127 17.886 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.960 -0.703 18.906 1.00 0.00 C ATOM 2127 CE2 PHE A 133 1.392 -1.128 18.495 1.00 0.00 C ATOM 2128 CZ PHE A 133 0.157 -1.542 19.007 1.00 0.00 C ATOM 0 H PHE A 133 -1.278 2.739 18.785 1.00 0.00 H new ATOM 0 HA PHE A 133 1.535 3.096 18.865 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.352 2.538 16.532 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.388 2.342 16.467 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -1.698 1.200 18.218 1.00 0.00 H new ATOM 0 HD2 PHE A 133 2.468 0.448 17.495 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.914 -1.023 19.299 1.00 0.00 H new ATOM 0 HE2 PHE A 133 2.252 -1.777 18.570 1.00 0.00 H new ATOM 0 HZ PHE A 133 0.065 -2.509 19.480 1.00 0.00 H new ATOM 2138 N LYS A 134 2.104 5.301 17.882 1.00 0.00 N ATOM 2139 CA LYS A 134 2.435 6.654 17.349 1.00 0.00 C ATOM 2140 C LYS A 134 2.332 6.663 15.823 1.00 0.00 C ATOM 2141 O LYS A 134 1.917 7.636 15.228 1.00 0.00 O ATOM 2142 CB LYS A 134 3.861 7.020 17.761 1.00 0.00 C ATOM 2143 CG LYS A 134 4.192 8.429 17.263 1.00 0.00 C ATOM 2144 CD LYS A 134 5.644 8.760 17.609 1.00 0.00 C ATOM 2145 CE LYS A 134 5.921 10.233 17.302 1.00 0.00 C ATOM 2146 NZ LYS A 134 6.098 10.412 15.832 1.00 0.00 N ATOM 0 H LYS A 134 2.839 4.867 18.440 1.00 0.00 H new ATOM 0 HA LYS A 134 1.730 7.379 17.755 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.961 6.974 18.845 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.567 6.301 17.345 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.040 8.491 16.185 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.522 9.156 17.722 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.833 8.556 18.663 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.319 8.125 17.035 1.00 0.00 H new ATOM 0 HE2 LYS A 134 5.096 10.850 17.657 1.00 0.00 H new ATOM 0 HE3 LYS A 134 6.816 10.563 17.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 6.286 11.414 15.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 6.899 9.834 15.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 5.232 10.113 15.339 1.00 0.00 H new ATOM 2160 N GLU A 135 2.726 5.599 15.187 1.00 0.00 N ATOM 2161 CA GLU A 135 2.666 5.559 13.700 1.00 0.00 C ATOM 2162 C GLU A 135 1.256 5.897 13.247 1.00 0.00 C ATOM 2163 O GLU A 135 1.047 6.637 12.308 1.00 0.00 O ATOM 2164 CB GLU A 135 2.994 4.144 13.233 1.00 0.00 C ATOM 2165 CG GLU A 135 4.210 3.641 13.998 1.00 0.00 C ATOM 2166 CD GLU A 135 4.567 2.233 13.521 1.00 0.00 C ATOM 2167 OE1 GLU A 135 5.589 1.723 13.953 1.00 0.00 O ATOM 2168 OE2 GLU A 135 3.813 1.690 12.730 1.00 0.00 O ATOM 0 H GLU A 135 3.087 4.755 15.631 1.00 0.00 H new ATOM 0 HA GLU A 135 3.376 6.274 13.284 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.143 3.484 13.403 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.194 4.138 12.161 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.054 4.314 13.843 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.002 3.632 15.068 1.00 0.00 H new ATOM 2176 N MET A 136 0.282 5.346 13.906 1.00 0.00 N ATOM 2177 CA MET A 136 -1.119 5.618 13.517 1.00 0.00 C ATOM 2178 C MET A 136 -1.499 7.029 13.952 1.00 0.00 C ATOM 2179 O MET A 136 -2.109 7.769 13.206 1.00 0.00 O ATOM 2180 CB MET A 136 -2.016 4.589 14.188 1.00 0.00 C ATOM 2181 CG MET A 136 -1.466 3.191 13.885 1.00 0.00 C ATOM 2182 SD MET A 136 -1.193 3.014 12.105 1.00 0.00 S ATOM 2183 CE MET A 136 -2.851 3.475 11.551 1.00 0.00 C ATOM 0 H MET A 136 0.398 4.717 14.700 1.00 0.00 H new ATOM 0 HA MET A 136 -1.237 5.547 12.436 1.00 0.00 H new ATOM 0 HB2 MET A 136 -2.047 4.758 15.264 1.00 0.00 H new ATOM 0 HB3 MET A 136 -3.038 4.681 13.821 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.531 3.033 14.423 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.166 2.431 14.232 1.00 0.00 H new ATOM 0 HE1 MET A 136 -3.047 3.027 10.577 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.588 3.117 12.270 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.920 4.560 11.472 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.118 7.436 15.134 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.443 8.823 15.548 1.00 0.00 C ATOM 2195 C LYS A 137 -0.846 9.740 14.495 1.00 0.00 C ATOM 2196 O LYS A 137 -1.395 10.768 14.159 1.00 0.00 O ATOM 2197 CB LYS A 137 -0.830 9.139 16.917 1.00 0.00 C ATOM 2198 CG LYS A 137 -1.838 8.822 18.033 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.403 7.578 18.818 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.754 7.992 20.138 1.00 0.00 C ATOM 2201 NZ LYS A 137 -1.732 7.821 21.249 1.00 0.00 N ATOM 0 H LYS A 137 -0.606 6.877 15.816 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.522 8.956 15.633 1.00 0.00 H new ATOM 0 HB2 LYS A 137 0.079 8.555 17.061 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -0.544 10.190 16.962 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -1.921 9.674 18.708 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.826 8.659 17.602 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -2.266 6.940 19.012 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.700 6.992 18.226 1.00 0.00 H new ATOM 0 HE2 LYS A 137 0.133 7.387 20.324 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -0.427 9.030 20.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -1.896 8.738 21.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -2.630 7.459 20.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -1.354 7.146 21.944 1.00 0.00 H new ATOM 2215 N ALA A 138 0.277 9.343 13.953 1.00 0.00 N ATOM 2216 CA ALA A 138 0.928 10.149 12.890 1.00 0.00 C ATOM 2217 C ALA A 138 0.190 9.913 11.572 1.00 0.00 C ATOM 2218 O ALA A 138 -0.145 10.839 10.862 1.00 0.00 O ATOM 2219 CB ALA A 138 2.381 9.716 12.739 1.00 0.00 C ATOM 0 H ALA A 138 0.771 8.487 14.207 1.00 0.00 H new ATOM 0 HA ALA A 138 0.893 11.206 13.154 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.858 10.308 11.958 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.906 9.868 13.682 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.420 8.661 12.469 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.077 8.673 11.247 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.805 8.378 9.981 1.00 0.00 C ATOM 2227 C ALA A 139 -2.138 9.114 10.011 1.00 0.00 C ATOM 2228 O ALA A 139 -2.492 9.832 9.098 1.00 0.00 O ATOM 2229 CB ALA A 139 -1.062 6.873 9.876 1.00 0.00 C ATOM 0 H ALA A 139 0.178 7.857 11.803 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.212 8.701 9.125 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.595 6.659 8.949 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.111 6.340 9.879 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.664 6.547 10.724 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.865 8.961 11.080 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.159 9.670 11.205 1.00 0.00 C ATOM 2237 C LEU A 140 -3.867 11.171 11.210 1.00 0.00 C ATOM 2238 O LEU A 140 -4.665 11.983 10.786 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.823 9.272 12.527 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.947 7.744 12.607 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.937 7.303 14.073 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.263 7.298 11.965 1.00 0.00 C ATOM 0 H LEU A 140 -2.615 8.372 11.874 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.825 9.414 10.381 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.235 9.643 13.366 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.809 9.731 12.602 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.108 7.292 12.079 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -5.025 6.218 14.127 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -4.003 7.615 14.540 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.776 7.762 14.597 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.347 6.213 12.024 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.099 7.756 12.493 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.281 7.607 10.920 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.713 11.534 11.708 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.324 12.971 11.780 1.00 0.00 C ATOM 2256 C GLN A 141 -1.913 13.499 10.407 1.00 0.00 C ATOM 2257 O GLN A 141 -2.410 14.507 9.945 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.130 13.097 12.724 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.608 13.528 14.108 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.742 15.051 14.147 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -1.194 15.697 15.017 1.00 0.00 O ATOM 2262 NE2 GLN A 141 -2.441 15.660 13.226 1.00 0.00 N ATOM 0 H GLN A 141 -2.015 10.885 12.072 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.177 13.550 12.135 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.606 12.144 12.791 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.420 13.825 12.332 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.567 13.062 14.335 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.902 13.194 14.869 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -2.902 15.119 12.494 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -2.526 16.676 13.239 1.00 0.00 H new ATOM 2271 N GLU A 142 -0.997 12.840 9.754 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.551 13.323 8.420 1.00 0.00 C ATOM 2273 C GLU A 142 -1.715 13.228 7.434 1.00 0.00 C ATOM 2274 O GLU A 142 -1.868 14.059 6.561 1.00 0.00 O ATOM 2275 CB GLU A 142 0.622 12.472 7.933 1.00 0.00 C ATOM 2276 CG GLU A 142 1.782 12.594 8.919 1.00 0.00 C ATOM 2277 CD GLU A 142 2.978 11.793 8.402 1.00 0.00 C ATOM 2278 OE1 GLU A 142 4.049 11.929 8.970 1.00 0.00 O ATOM 2279 OE2 GLU A 142 2.800 11.054 7.446 1.00 0.00 O ATOM 0 H GLU A 142 -0.540 11.991 10.086 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.227 14.361 8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.316 11.430 7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 142 0.937 12.800 6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 142 2.059 13.641 9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 142 1.480 12.225 9.899 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.544 12.229 7.571 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.705 12.100 6.643 1.00 0.00 C ATOM 2289 C GLY A 143 -4.618 13.309 6.826 1.00 0.00 C ATOM 2290 O GLY A 143 -4.983 13.975 5.880 1.00 0.00 O ATOM 0 H GLY A 143 -2.469 11.500 8.281 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.359 12.041 5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.252 11.180 6.848 1.00 0.00 H new ATOM 2294 N HIS A 144 -4.973 13.611 8.045 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.845 14.791 8.298 1.00 0.00 C ATOM 2296 C HIS A 144 -5.112 16.048 7.834 1.00 0.00 C ATOM 2297 O HIS A 144 -5.690 16.946 7.253 1.00 0.00 O ATOM 2298 CB HIS A 144 -6.127 14.898 9.800 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.112 16.005 10.052 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -6.730 17.340 10.089 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -8.464 15.996 10.293 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -7.833 18.070 10.340 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -8.912 17.299 10.471 1.00 0.00 N ATOM 0 H HIS A 144 -4.696 13.090 8.877 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.785 14.684 7.757 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.523 13.954 10.174 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.201 15.092 10.341 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -9.083 15.112 10.337 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -7.842 19.147 10.425 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -9.867 17.602 10.662 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.838 16.114 8.101 1.00 0.00 N ATOM 2313 CA GLN A 145 -3.043 17.306 7.696 1.00 0.00 C ATOM 2314 C GLN A 145 -3.104 17.491 6.176 1.00 0.00 C ATOM 2315 O GLN A 145 -3.252 18.593 5.683 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.587 17.096 8.116 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.793 18.381 7.883 1.00 0.00 C ATOM 2318 CD GLN A 145 -1.222 19.439 8.900 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -1.317 19.163 10.079 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.491 20.647 8.488 1.00 0.00 N ATOM 0 H GLN A 145 -3.310 15.388 8.586 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.453 18.193 8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.539 16.813 9.168 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.148 16.277 7.545 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.275 18.183 7.977 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -0.961 18.746 6.870 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -1.411 20.878 7.498 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.781 21.361 9.156 1.00 0.00 H new ATOM 2329 N PHE A 146 -2.975 16.429 5.430 1.00 0.00 N ATOM 2330 CA PHE A 146 -3.006 16.554 3.946 1.00 0.00 C ATOM 2331 C PHE A 146 -4.413 16.915 3.458 1.00 0.00 C ATOM 2332 O PHE A 146 -4.588 17.821 2.666 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.577 15.235 3.312 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.619 15.376 1.810 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.845 15.299 1.141 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.440 15.595 1.090 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.894 15.436 -0.247 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.489 15.734 -0.302 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.717 15.655 -0.971 1.00 0.00 C ATOM 0 H PHE A 146 -2.850 15.481 5.784 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.320 17.349 3.654 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.571 14.970 3.637 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.238 14.430 3.633 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.755 15.133 1.699 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.494 15.657 1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.841 15.373 -0.762 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.580 15.902 -0.860 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.755 15.763 -2.045 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.418 16.211 3.905 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.800 16.521 3.437 1.00 0.00 C ATOM 2351 C LEU A 147 -7.096 18.003 3.670 1.00 0.00 C ATOM 2352 O LEU A 147 -7.725 18.654 2.859 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.815 15.661 4.193 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.565 14.183 3.891 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.644 13.334 4.561 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.618 13.950 2.378 1.00 0.00 C ATOM 0 H LEU A 147 -5.343 15.440 4.569 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.877 16.300 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.733 15.842 5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.828 15.936 3.900 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.583 13.902 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.465 12.281 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.615 13.493 5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.623 13.621 4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.439 12.896 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.600 14.235 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.852 14.553 1.890 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.635 18.545 4.759 1.00 0.00 N ATOM 2369 CA CYS A 148 -6.878 19.988 5.023 1.00 0.00 C ATOM 2370 C CYS A 148 -6.064 20.813 4.025 1.00 0.00 C ATOM 2371 O CYS A 148 -6.277 21.998 3.858 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.442 20.329 6.450 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.531 19.492 7.629 1.00 0.00 S ATOM 0 H CYS A 148 -6.102 18.053 5.476 1.00 0.00 H new ATOM 0 HA CYS A 148 -7.939 20.213 4.912 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.409 20.020 6.610 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.480 21.407 6.606 1.00 0.00 H new ATOM 0 HG CYS A 148 -7.108 18.278 7.824 1.00 0.00 H new ATOM 2379 N SER A 149 -5.123 20.190 3.369 1.00 0.00 N ATOM 2380 CA SER A 149 -4.275 20.923 2.385 1.00 0.00 C ATOM 2381 C SER A 149 -4.941 20.934 1.007 1.00 0.00 C ATOM 2382 O SER A 149 -4.496 21.614 0.104 1.00 0.00 O ATOM 2383 CB SER A 149 -2.920 20.224 2.271 1.00 0.00 C ATOM 2384 OG SER A 149 -1.881 21.164 2.513 1.00 0.00 O ATOM 0 H SER A 149 -4.904 19.199 3.473 1.00 0.00 H new ATOM 0 HA SER A 149 -4.147 21.949 2.729 1.00 0.00 H new ATOM 0 HB2 SER A 149 -2.859 19.406 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 149 -2.806 19.787 1.279 1.00 0.00 H new ATOM 0 HG SER A 149 -1.012 20.717 2.442 1.00 0.00 H new ATOM 2390 N ILE A 150 -5.994 20.184 0.826 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.657 20.159 -0.503 1.00 0.00 C ATOM 2392 C ILE A 150 -7.596 21.358 -0.626 1.00 0.00 C ATOM 2393 O ILE A 150 -7.224 22.486 -0.370 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.466 18.870 -0.656 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.743 17.706 0.025 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -7.622 18.557 -2.143 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.661 16.483 0.035 1.00 0.00 C ATOM 0 H ILE A 150 -6.420 19.591 1.539 1.00 0.00 H new ATOM 0 HA ILE A 150 -5.896 20.204 -1.282 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.443 19.003 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.818 17.477 -0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.469 17.978 1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -8.198 17.639 -2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -8.142 19.379 -2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.638 18.429 -2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -7.152 15.650 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.574 16.718 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.913 16.209 -0.989 1.00 0.00 H new