USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 750 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 73 THR OG1 : rot 82:sc= -0.204 USER MOD Set 1.2: A 92 HIS : no HD1:sc= -2.99! C(o=-3.2!,f=-3.1!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 160:sc= -0.0916 USER MOD Single : A 24 HIS : no HD1:sc= -0.306 K(o=-0.31,f=-1.4!) USER MOD Single : A 27 MET CE :methyl -173:sc= -0.737 (180deg=-1.03) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 30 GLN : amide:sc= -1.71! C(o=-1.7!,f=-0.95!) USER MOD Single : A 34 CYS SG : rot 160:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0348 K(o=-0.035,f=-1.3) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0.0681 K(o=0.068,f=-0.77) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.34 K(o=-2.3,f=-4.2!) USER MOD Single : A 56 THR OG1 : rot 51:sc= 1.02 USER MOD Single : A 58 GLN : amide:sc= -6.12! C(o=-6.1!,f=-10!) USER MOD Single : A 63 ASN : amide:sc= -11.8! C(o=-12!,f=-14!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.27! K(o=-1.3!,f=-1.8) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -8.2! C(o=-8.2!,f=-7.2!) USER MOD Single : A 81 TYR OH : rot -109:sc= 0.982 USER MOD Single : A 82 ASN : amide:sc= -6.25! C(o=-6.2!,f=-6.1!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc=-0.00209 USER MOD Single : A 89 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.28) USER MOD Single : A 93 SER OG : rot 93:sc= 0.539 USER MOD Single : A 94 TYR OH : rot 29:sc= 0.0448 USER MOD Single : A 98 HIS : no HD1:sc= -4.61 K(o=-4.6,f=-3) USER MOD Single : A 102 ASN : amide:sc= -3.68! C(o=-3.7!,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 13 -2.700 5.158 -17.222 1.00 0.00 N ATOM 129 CA VAL A 13 -2.649 4.372 -15.994 1.00 0.00 C ATOM 130 C VAL A 13 -3.952 4.489 -15.212 1.00 0.00 C ATOM 131 O VAL A 13 -4.447 3.507 -14.662 1.00 0.00 O ATOM 132 CB VAL A 13 -1.480 4.814 -15.093 1.00 0.00 C ATOM 133 CG1 VAL A 13 -1.465 4.006 -13.804 1.00 0.00 C ATOM 134 CG2 VAL A 13 -0.157 4.679 -15.832 1.00 0.00 C ATOM 0 HA VAL A 13 -2.498 3.334 -16.289 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.620 5.864 -14.835 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.633 4.332 -13.180 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.402 4.159 -13.268 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.350 2.948 -14.039 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.658 4.996 -15.181 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.007 3.639 -16.122 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.173 5.306 -16.724 1.00 0.00 H new ATOM 144 N GLU A 14 -4.502 5.699 -15.168 1.00 0.00 N ATOM 145 CA GLU A 14 -5.749 5.944 -14.452 1.00 0.00 C ATOM 146 C GLU A 14 -6.752 4.822 -14.705 1.00 0.00 C ATOM 147 O GLU A 14 -7.416 4.349 -13.785 1.00 0.00 O ATOM 148 CB GLU A 14 -6.350 7.286 -14.875 1.00 0.00 C ATOM 149 CG GLU A 14 -5.501 8.484 -14.485 1.00 0.00 C ATOM 150 CD GLU A 14 -5.716 9.674 -15.399 1.00 0.00 C ATOM 151 OE1 GLU A 14 -6.887 9.978 -15.711 1.00 0.00 O ATOM 152 OE2 GLU A 14 -4.715 10.301 -15.803 1.00 0.00 O ATOM 0 H GLU A 14 -4.105 6.523 -15.619 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.526 5.974 -13.385 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.490 7.287 -15.956 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.338 7.390 -14.426 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.734 8.771 -13.460 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.449 8.201 -14.505 1.00 0.00 H new ATOM 159 N GLY A 15 -6.855 4.402 -15.963 1.00 0.00 N ATOM 160 CA GLY A 15 -7.779 3.340 -16.316 1.00 0.00 C ATOM 161 C GLY A 15 -7.890 2.284 -15.233 1.00 0.00 C ATOM 162 O GLY A 15 -8.992 1.907 -14.836 1.00 0.00 O ATOM 0 H GLY A 15 -6.316 4.778 -16.743 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.764 3.767 -16.505 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.452 2.871 -17.244 1.00 0.00 H new ATOM 166 N ALA A 16 -6.746 1.805 -14.757 1.00 0.00 N ATOM 167 CA ALA A 16 -6.719 0.787 -13.714 1.00 0.00 C ATOM 168 C ALA A 16 -7.558 1.209 -12.513 1.00 0.00 C ATOM 169 O ALA A 16 -8.407 0.453 -12.040 1.00 0.00 O ATOM 170 CB ALA A 16 -5.286 0.506 -13.287 1.00 0.00 C ATOM 0 H ALA A 16 -5.825 2.106 -15.077 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.150 -0.127 -14.122 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.281 -0.256 -12.508 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.714 0.152 -14.144 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.835 1.421 -12.903 1.00 0.00 H new ATOM 176 N ALA A 17 -7.316 2.420 -12.024 1.00 0.00 N ATOM 177 CA ALA A 17 -8.050 2.943 -10.879 1.00 0.00 C ATOM 178 C ALA A 17 -9.555 2.899 -11.125 1.00 0.00 C ATOM 179 O ALA A 17 -10.350 3.044 -10.197 1.00 0.00 O ATOM 180 CB ALA A 17 -7.605 4.365 -10.570 1.00 0.00 C ATOM 0 H ALA A 17 -6.616 3.058 -12.403 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.830 2.311 -10.019 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.162 4.742 -9.712 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.539 4.371 -10.342 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.795 5.002 -11.434 1.00 0.00 H new ATOM 186 N PHE A 18 -9.938 2.699 -12.382 1.00 0.00 N ATOM 187 CA PHE A 18 -11.348 2.638 -12.750 1.00 0.00 C ATOM 188 C PHE A 18 -12.076 1.569 -11.941 1.00 0.00 C ATOM 189 O PHE A 18 -13.074 1.850 -11.279 1.00 0.00 O ATOM 190 CB PHE A 18 -11.494 2.349 -14.246 1.00 0.00 C ATOM 191 CG PHE A 18 -12.916 2.382 -14.727 1.00 0.00 C ATOM 192 CD1 PHE A 18 -13.518 3.583 -15.069 1.00 0.00 C ATOM 193 CD2 PHE A 18 -13.652 1.213 -14.837 1.00 0.00 C ATOM 194 CE1 PHE A 18 -14.827 3.616 -15.511 1.00 0.00 C ATOM 195 CE2 PHE A 18 -14.961 1.240 -15.279 1.00 0.00 C ATOM 196 CZ PHE A 18 -15.549 2.443 -15.617 1.00 0.00 C ATOM 0 H PHE A 18 -9.292 2.577 -13.162 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.798 3.606 -12.528 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.912 3.080 -14.808 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -11.069 1.369 -14.462 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -12.958 4.503 -14.989 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.197 0.269 -14.574 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.285 4.558 -15.773 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -15.523 0.322 -15.360 1.00 0.00 H new ATOM 0 HZ PHE A 18 -16.572 2.467 -15.964 1.00 0.00 H new ATOM 206 N GLN A 19 -11.568 0.342 -12.000 1.00 0.00 N ATOM 207 CA GLN A 19 -12.170 -0.770 -11.274 1.00 0.00 C ATOM 208 C GLN A 19 -12.600 -0.337 -9.876 1.00 0.00 C ATOM 209 O GLN A 19 -13.498 -0.933 -9.280 1.00 0.00 O ATOM 210 CB GLN A 19 -11.186 -1.937 -11.179 1.00 0.00 C ATOM 211 CG GLN A 19 -10.002 -1.662 -10.267 1.00 0.00 C ATOM 212 CD GLN A 19 -9.467 -2.919 -9.609 1.00 0.00 C ATOM 213 OE1 GLN A 19 -8.763 -3.711 -10.236 1.00 0.00 O ATOM 214 NE2 GLN A 19 -9.801 -3.110 -8.338 1.00 0.00 N ATOM 0 H GLN A 19 -10.741 0.093 -12.543 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.054 -1.094 -11.823 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.715 -2.819 -10.818 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.818 -2.173 -12.177 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.206 -1.191 -10.844 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.300 -0.951 -9.496 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.387 -2.428 -7.857 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.472 -3.939 -7.843 1.00 0.00 H new ATOM 223 N SER A 20 -11.954 0.702 -9.358 1.00 0.00 N ATOM 224 CA SER A 20 -12.268 1.212 -8.029 1.00 0.00 C ATOM 225 C SER A 20 -12.930 2.584 -8.115 1.00 0.00 C ATOM 226 O SER A 20 -12.736 3.319 -9.082 1.00 0.00 O ATOM 227 CB SER A 20 -10.997 1.299 -7.180 1.00 0.00 C ATOM 228 OG SER A 20 -11.289 1.116 -5.806 1.00 0.00 O ATOM 0 H SER A 20 -11.210 1.207 -9.839 1.00 0.00 H new ATOM 0 HA SER A 20 -12.966 0.520 -7.557 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.284 0.542 -7.508 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.522 2.269 -7.328 1.00 0.00 H new ATOM 0 HG SER A 20 -10.473 0.857 -5.330 1.00 0.00 H new ATOM 234 N ARG A 21 -13.714 2.920 -7.095 1.00 0.00 N ATOM 235 CA ARG A 21 -14.407 4.202 -7.055 1.00 0.00 C ATOM 236 C ARG A 21 -13.676 5.187 -6.147 1.00 0.00 C ATOM 237 O ARG A 21 -14.264 5.747 -5.220 1.00 0.00 O ATOM 238 CB ARG A 21 -15.845 4.014 -6.569 1.00 0.00 C ATOM 239 CG ARG A 21 -16.838 4.962 -7.221 1.00 0.00 C ATOM 240 CD ARG A 21 -16.980 6.251 -6.427 1.00 0.00 C ATOM 241 NE ARG A 21 -17.752 7.258 -7.151 1.00 0.00 N ATOM 242 CZ ARG A 21 -17.225 8.080 -8.051 1.00 0.00 C ATOM 243 NH1 ARG A 21 -15.931 8.015 -8.337 1.00 0.00 N ATOM 244 NH2 ARG A 21 -17.992 8.970 -8.668 1.00 0.00 N ATOM 0 H ARG A 21 -13.885 2.322 -6.286 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.423 4.609 -8.066 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.154 2.987 -6.764 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.876 4.156 -5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.511 5.192 -8.235 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.809 4.474 -7.302 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -17.465 6.038 -5.474 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.990 6.647 -6.199 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.750 7.334 -6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.338 7.332 -7.865 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.529 8.648 -9.029 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -18.987 9.023 -8.451 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.586 9.601 -9.359 1.00 0.00 H new ATOM 258 N LEU A 22 -12.392 5.393 -6.418 1.00 0.00 N ATOM 259 CA LEU A 22 -11.580 6.310 -5.625 1.00 0.00 C ATOM 260 C LEU A 22 -10.816 7.276 -6.523 1.00 0.00 C ATOM 261 O LEU A 22 -10.479 6.966 -7.666 1.00 0.00 O ATOM 262 CB LEU A 22 -10.601 5.527 -4.748 1.00 0.00 C ATOM 263 CG LEU A 22 -9.535 4.719 -5.490 1.00 0.00 C ATOM 264 CD1 LEU A 22 -8.305 5.572 -5.753 1.00 0.00 C ATOM 265 CD2 LEU A 22 -9.164 3.474 -4.698 1.00 0.00 C ATOM 0 H LEU A 22 -11.891 4.938 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.248 6.888 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.099 6.229 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.173 4.845 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.946 4.406 -6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.558 4.980 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.583 6.433 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.891 5.916 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.405 2.911 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.773 3.766 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.049 2.852 -4.562 1.00 0.00 H new ATOM 277 N PRO A 23 -10.532 8.477 -5.996 1.00 0.00 N ATOM 278 CA PRO A 23 -9.802 9.512 -6.732 1.00 0.00 C ATOM 279 C PRO A 23 -8.336 9.149 -6.942 1.00 0.00 C ATOM 280 O PRO A 23 -7.661 8.692 -6.020 1.00 0.00 O ATOM 281 CB PRO A 23 -9.924 10.742 -5.830 1.00 0.00 C ATOM 282 CG PRO A 23 -10.125 10.189 -4.461 1.00 0.00 C ATOM 283 CD PRO A 23 -10.903 8.915 -4.640 1.00 0.00 C ATOM 0 HA PRO A 23 -10.205 9.660 -7.734 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.027 11.360 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.762 11.371 -6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.169 9.997 -3.973 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.669 10.893 -3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.634 8.171 -3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.976 9.084 -4.552 1.00 0.00 H new ATOM 291 N HIS A 24 -7.848 9.357 -8.162 1.00 0.00 N ATOM 292 CA HIS A 24 -6.461 9.052 -8.492 1.00 0.00 C ATOM 293 C HIS A 24 -5.564 10.259 -8.237 1.00 0.00 C ATOM 294 O HIS A 24 -4.343 10.129 -8.142 1.00 0.00 O ATOM 295 CB HIS A 24 -6.346 8.617 -9.954 1.00 0.00 C ATOM 296 CG HIS A 24 -7.081 9.511 -10.904 1.00 0.00 C ATOM 297 ND1 HIS A 24 -8.432 9.396 -11.154 1.00 0.00 N ATOM 298 CD2 HIS A 24 -6.646 10.541 -11.666 1.00 0.00 C ATOM 299 CE1 HIS A 24 -8.796 10.315 -12.030 1.00 0.00 C ATOM 300 NE2 HIS A 24 -7.731 11.024 -12.357 1.00 0.00 N ATOM 0 H HIS A 24 -8.393 9.735 -8.937 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.132 8.235 -7.850 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.293 8.590 -10.235 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.729 7.601 -10.054 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.634 10.914 -11.721 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.795 10.462 -12.414 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.716 11.803 -13.015 1.00 0.00 H new ATOM 309 N ASP A 25 -6.176 11.433 -8.128 1.00 0.00 N ATOM 310 CA ASP A 25 -5.433 12.663 -7.883 1.00 0.00 C ATOM 311 C ASP A 25 -5.174 12.854 -6.392 1.00 0.00 C ATOM 312 O ASP A 25 -4.170 13.446 -5.997 1.00 0.00 O ATOM 313 CB ASP A 25 -6.199 13.865 -8.438 1.00 0.00 C ATOM 314 CG ASP A 25 -5.463 15.173 -8.217 1.00 0.00 C ATOM 315 OD1 ASP A 25 -4.222 15.141 -8.091 1.00 0.00 O ATOM 316 OD2 ASP A 25 -6.130 16.228 -8.168 1.00 0.00 O ATOM 0 H ASP A 25 -7.185 11.559 -8.206 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.473 12.586 -8.393 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.369 13.723 -9.505 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.179 13.918 -7.964 1.00 0.00 H new ATOM 321 N ARG A 26 -6.088 12.350 -5.568 1.00 0.00 N ATOM 322 CA ARG A 26 -5.959 12.468 -4.121 1.00 0.00 C ATOM 323 C ARG A 26 -6.121 11.107 -3.449 1.00 0.00 C ATOM 324 O ARG A 26 -6.534 10.137 -4.082 1.00 0.00 O ATOM 325 CB ARG A 26 -7.000 13.446 -3.573 1.00 0.00 C ATOM 326 CG ARG A 26 -8.428 13.095 -3.957 1.00 0.00 C ATOM 327 CD ARG A 26 -9.418 13.552 -2.897 1.00 0.00 C ATOM 328 NE ARG A 26 -9.897 14.909 -3.144 1.00 0.00 N ATOM 329 CZ ARG A 26 -10.387 15.700 -2.195 1.00 0.00 C ATOM 330 NH1 ARG A 26 -10.461 15.270 -0.943 1.00 0.00 N ATOM 331 NH2 ARG A 26 -10.803 16.922 -2.499 1.00 0.00 N ATOM 0 H ARG A 26 -6.925 11.857 -5.878 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.962 12.848 -3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.922 13.475 -2.486 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.771 14.448 -3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.674 13.561 -4.911 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.514 12.017 -4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.266 12.867 -2.873 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.945 13.508 -1.916 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.853 15.270 -4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.142 14.331 -0.707 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.837 15.879 -0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.747 17.255 -3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.179 17.529 -1.770 1.00 0.00 H new ATOM 345 N MET A 27 -5.792 11.046 -2.163 1.00 0.00 N ATOM 346 CA MET A 27 -5.901 9.805 -1.405 1.00 0.00 C ATOM 347 C MET A 27 -7.226 9.743 -0.650 1.00 0.00 C ATOM 348 O MET A 27 -7.825 10.774 -0.342 1.00 0.00 O ATOM 349 CB MET A 27 -4.735 9.677 -0.423 1.00 0.00 C ATOM 350 CG MET A 27 -3.373 9.870 -1.069 1.00 0.00 C ATOM 351 SD MET A 27 -2.095 10.314 0.123 1.00 0.00 S ATOM 352 CE MET A 27 -1.957 8.790 1.054 1.00 0.00 C ATOM 0 H MET A 27 -5.448 11.841 -1.624 1.00 0.00 H new ATOM 0 HA MET A 27 -5.865 8.974 -2.110 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.858 10.412 0.372 1.00 0.00 H new ATOM 0 HB3 MET A 27 -4.770 8.693 0.044 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.084 8.952 -1.580 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.442 10.649 -1.828 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.296 8.943 1.907 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.943 8.489 1.408 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.548 8.008 0.414 1.00 0.00 H new ATOM 362 N THR A 28 -7.678 8.529 -0.355 1.00 0.00 N ATOM 363 CA THR A 28 -8.932 8.333 0.362 1.00 0.00 C ATOM 364 C THR A 28 -8.681 8.013 1.831 1.00 0.00 C ATOM 365 O THR A 28 -7.553 7.723 2.229 1.00 0.00 O ATOM 366 CB THR A 28 -9.766 7.200 -0.264 1.00 0.00 C ATOM 367 OG1 THR A 28 -8.938 6.056 -0.500 1.00 0.00 O ATOM 368 CG2 THR A 28 -10.400 7.652 -1.571 1.00 0.00 C ATOM 0 H THR A 28 -7.194 7.666 -0.602 1.00 0.00 H new ATOM 0 HA THR A 28 -9.489 9.267 0.287 1.00 0.00 H new ATOM 0 HB THR A 28 -10.561 6.936 0.434 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.476 5.339 -0.897 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.984 6.835 -1.994 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.052 8.505 -1.383 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.618 7.941 -2.274 1.00 0.00 H new ATOM 376 N SER A 29 -9.740 8.066 2.633 1.00 0.00 N ATOM 377 CA SER A 29 -9.633 7.784 4.059 1.00 0.00 C ATOM 378 C SER A 29 -8.575 6.718 4.325 1.00 0.00 C ATOM 379 O SER A 29 -7.636 6.938 5.088 1.00 0.00 O ATOM 380 CB SER A 29 -10.985 7.328 4.613 1.00 0.00 C ATOM 381 OG SER A 29 -12.030 8.175 4.168 1.00 0.00 O ATOM 0 H SER A 29 -10.681 8.302 2.319 1.00 0.00 H new ATOM 0 HA SER A 29 -9.332 8.702 4.564 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.184 6.304 4.298 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.953 7.326 5.703 1.00 0.00 H new ATOM 0 HG SER A 29 -12.883 7.862 4.534 1.00 0.00 H new ATOM 387 N GLN A 30 -8.737 5.562 3.689 1.00 0.00 N ATOM 388 CA GLN A 30 -7.796 4.460 3.857 1.00 0.00 C ATOM 389 C GLN A 30 -6.380 4.894 3.494 1.00 0.00 C ATOM 390 O GLN A 30 -5.519 5.025 4.364 1.00 0.00 O ATOM 391 CB GLN A 30 -8.214 3.269 2.993 1.00 0.00 C ATOM 392 CG GLN A 30 -7.811 1.924 3.575 1.00 0.00 C ATOM 393 CD GLN A 30 -7.986 1.863 5.080 1.00 0.00 C ATOM 394 OE1 GLN A 30 -9.024 1.426 5.578 1.00 0.00 O ATOM 395 NE2 GLN A 30 -6.969 2.303 5.813 1.00 0.00 N ATOM 0 H GLN A 30 -9.510 5.364 3.053 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.808 4.162 4.905 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.296 3.289 2.861 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.770 3.375 2.003 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.408 1.138 3.112 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.769 1.722 3.326 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.128 2.657 5.358 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.030 2.287 6.831 1.00 0.00 H new ATOM 404 N GLU A 31 -6.145 5.115 2.204 1.00 0.00 N ATOM 405 CA GLU A 31 -4.832 5.533 1.728 1.00 0.00 C ATOM 406 C GLU A 31 -4.181 6.504 2.709 1.00 0.00 C ATOM 407 O GLU A 31 -3.023 6.334 3.090 1.00 0.00 O ATOM 408 CB GLU A 31 -4.949 6.186 0.349 1.00 0.00 C ATOM 409 CG GLU A 31 -5.201 5.194 -0.774 1.00 0.00 C ATOM 410 CD GLU A 31 -6.155 4.086 -0.372 1.00 0.00 C ATOM 411 OE1 GLU A 31 -5.800 3.297 0.529 1.00 0.00 O ATOM 412 OE2 GLU A 31 -7.255 4.008 -0.956 1.00 0.00 O ATOM 0 H GLU A 31 -6.846 5.012 1.471 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.203 4.646 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.760 6.914 0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.032 6.736 0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.607 5.723 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.253 4.756 -1.086 1.00 0.00 H new ATOM 419 N ALA A 32 -4.934 7.522 3.113 1.00 0.00 N ATOM 420 CA ALA A 32 -4.432 8.519 4.050 1.00 0.00 C ATOM 421 C ALA A 32 -4.005 7.872 5.363 1.00 0.00 C ATOM 422 O ALA A 32 -2.995 8.254 5.954 1.00 0.00 O ATOM 423 CB ALA A 32 -5.488 9.585 4.303 1.00 0.00 C ATOM 0 H ALA A 32 -5.894 7.678 2.806 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.555 8.990 3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.099 10.323 5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.742 10.076 3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.381 9.121 4.722 1.00 0.00 H new ATOM 429 N ALA A 33 -4.781 6.892 5.815 1.00 0.00 N ATOM 430 CA ALA A 33 -4.482 6.192 7.057 1.00 0.00 C ATOM 431 C ALA A 33 -3.262 5.291 6.900 1.00 0.00 C ATOM 432 O ALA A 33 -2.367 5.287 7.746 1.00 0.00 O ATOM 433 CB ALA A 33 -5.686 5.380 7.508 1.00 0.00 C ATOM 0 H ALA A 33 -5.622 6.565 5.339 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.254 6.937 7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.448 4.862 8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.534 6.046 7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.940 4.649 6.740 1.00 0.00 H new ATOM 439 N CYS A 34 -3.233 4.528 5.813 1.00 0.00 N ATOM 440 CA CYS A 34 -2.123 3.620 5.546 1.00 0.00 C ATOM 441 C CYS A 34 -0.827 4.395 5.330 1.00 0.00 C ATOM 442 O CYS A 34 0.241 3.975 5.776 1.00 0.00 O ATOM 443 CB CYS A 34 -2.425 2.758 4.319 1.00 0.00 C ATOM 444 SG CYS A 34 -1.655 1.122 4.358 1.00 0.00 S ATOM 0 H CYS A 34 -3.965 4.520 5.103 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.999 2.973 6.414 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.505 2.638 4.230 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.088 3.285 3.426 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.279 0.329 3.538 1.00 0.00 H new ATOM 450 N PHE A 35 -0.928 5.527 4.642 1.00 0.00 N ATOM 451 CA PHE A 35 0.237 6.360 4.365 1.00 0.00 C ATOM 452 C PHE A 35 0.026 7.779 4.884 1.00 0.00 C ATOM 453 O PHE A 35 -0.416 8.673 4.161 1.00 0.00 O ATOM 454 CB PHE A 35 0.521 6.392 2.862 1.00 0.00 C ATOM 455 CG PHE A 35 0.604 5.027 2.239 1.00 0.00 C ATOM 456 CD1 PHE A 35 -0.546 4.309 1.955 1.00 0.00 C ATOM 457 CD2 PHE A 35 1.833 4.464 1.936 1.00 0.00 C ATOM 458 CE1 PHE A 35 -0.472 3.054 1.383 1.00 0.00 C ATOM 459 CE2 PHE A 35 1.914 3.208 1.362 1.00 0.00 C ATOM 460 CZ PHE A 35 0.759 2.503 1.085 1.00 0.00 C ATOM 0 H PHE A 35 -1.804 5.889 4.266 1.00 0.00 H new ATOM 0 HA PHE A 35 1.094 5.927 4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.263 6.963 2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.459 6.920 2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.512 4.735 2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.739 5.012 2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.376 2.504 1.169 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.878 2.780 1.131 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.818 1.522 0.636 1.00 0.00 H new ATOM 470 N PRO A 36 0.351 7.993 6.168 1.00 0.00 N ATOM 471 CA PRO A 36 0.206 9.301 6.813 1.00 0.00 C ATOM 472 C PRO A 36 1.211 10.321 6.288 1.00 0.00 C ATOM 473 O PRO A 36 0.852 11.457 5.978 1.00 0.00 O ATOM 474 CB PRO A 36 0.473 8.999 8.290 1.00 0.00 C ATOM 475 CG PRO A 36 1.327 7.778 8.279 1.00 0.00 C ATOM 476 CD PRO A 36 0.884 6.974 7.088 1.00 0.00 C ATOM 0 HA PRO A 36 -0.772 9.743 6.624 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.979 9.831 8.779 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.456 8.827 8.833 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.382 8.040 8.202 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.206 7.209 9.201 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.714 6.425 6.643 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.125 6.240 7.358 1.00 0.00 H new ATOM 484 N ASP A 37 2.469 9.908 6.190 1.00 0.00 N ATOM 485 CA ASP A 37 3.526 10.786 5.700 1.00 0.00 C ATOM 486 C ASP A 37 3.197 11.306 4.304 1.00 0.00 C ATOM 487 O ASP A 37 3.429 12.475 3.996 1.00 0.00 O ATOM 488 CB ASP A 37 4.864 10.046 5.681 1.00 0.00 C ATOM 489 CG ASP A 37 6.045 10.981 5.860 1.00 0.00 C ATOM 490 OD1 ASP A 37 6.079 11.706 6.877 1.00 0.00 O ATOM 491 OD2 ASP A 37 6.935 10.986 4.985 1.00 0.00 O ATOM 0 H ASP A 37 2.783 8.971 6.443 1.00 0.00 H new ATOM 0 HA ASP A 37 3.601 11.638 6.376 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.873 9.298 6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.967 9.512 4.737 1.00 0.00 H new ATOM 496 N ILE A 38 2.657 10.429 3.464 1.00 0.00 N ATOM 497 CA ILE A 38 2.297 10.800 2.101 1.00 0.00 C ATOM 498 C ILE A 38 1.196 11.855 2.092 1.00 0.00 C ATOM 499 O ILE A 38 1.354 12.926 1.503 1.00 0.00 O ATOM 500 CB ILE A 38 1.828 9.578 1.291 1.00 0.00 C ATOM 501 CG1 ILE A 38 2.868 8.458 1.367 1.00 0.00 C ATOM 502 CG2 ILE A 38 1.569 9.969 -0.156 1.00 0.00 C ATOM 503 CD1 ILE A 38 4.208 8.837 0.778 1.00 0.00 C ATOM 0 H ILE A 38 2.459 9.457 3.703 1.00 0.00 H new ATOM 0 HA ILE A 38 3.194 11.210 1.637 1.00 0.00 H new ATOM 0 HB ILE A 38 0.895 9.213 1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.006 8.172 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.485 7.582 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.238 9.094 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.796 10.737 -0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.487 10.357 -0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.895 7.996 0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.083 9.095 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.613 9.694 1.316 1.00 0.00 H new ATOM 515 N ILE A 39 0.083 11.547 2.748 1.00 0.00 N ATOM 516 CA ILE A 39 -1.043 12.471 2.817 1.00 0.00 C ATOM 517 C ILE A 39 -0.650 13.764 3.522 1.00 0.00 C ATOM 518 O ILE A 39 -1.198 14.830 3.237 1.00 0.00 O ATOM 519 CB ILE A 39 -2.242 11.842 3.552 1.00 0.00 C ATOM 520 CG1 ILE A 39 -3.425 12.812 3.565 1.00 0.00 C ATOM 521 CG2 ILE A 39 -1.851 11.457 4.971 1.00 0.00 C ATOM 522 CD1 ILE A 39 -4.147 12.901 2.238 1.00 0.00 C ATOM 0 H ILE A 39 -0.064 10.665 3.239 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.333 12.694 1.790 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.542 10.939 3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.132 12.500 4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.068 13.804 3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.709 11.014 5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.035 10.735 4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.529 12.346 5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.974 13.606 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.454 13.242 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.534 11.918 1.968 1.00 0.00 H new ATOM 534 N SER A 40 0.303 13.664 4.443 1.00 0.00 N ATOM 535 CA SER A 40 0.769 14.827 5.191 1.00 0.00 C ATOM 536 C SER A 40 2.032 15.407 4.562 1.00 0.00 C ATOM 537 O SER A 40 2.866 15.997 5.248 1.00 0.00 O ATOM 538 CB SER A 40 1.039 14.447 6.648 1.00 0.00 C ATOM 539 OG SER A 40 -0.157 14.460 7.408 1.00 0.00 O ATOM 0 H SER A 40 0.768 12.790 4.689 1.00 0.00 H new ATOM 0 HA SER A 40 -0.013 15.586 5.160 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.490 13.456 6.691 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.757 15.143 7.082 1.00 0.00 H new ATOM 0 HG SER A 40 0.042 14.212 8.335 1.00 0.00 H new ATOM 545 N GLY A 41 2.166 15.234 3.250 1.00 0.00 N ATOM 546 CA GLY A 41 3.330 15.745 2.550 1.00 0.00 C ATOM 547 C GLY A 41 2.958 16.655 1.396 1.00 0.00 C ATOM 548 O GLY A 41 1.783 16.914 1.135 1.00 0.00 O ATOM 0 H GLY A 41 1.490 14.749 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.961 16.291 3.251 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.920 14.909 2.174 1.00 0.00 H new ATOM 552 N PRO A 42 3.977 17.159 0.683 1.00 0.00 N ATOM 553 CA PRO A 42 3.776 18.055 -0.459 1.00 0.00 C ATOM 554 C PRO A 42 3.164 17.338 -1.658 1.00 0.00 C ATOM 555 O PRO A 42 3.377 16.141 -1.851 1.00 0.00 O ATOM 556 CB PRO A 42 5.192 18.533 -0.789 1.00 0.00 C ATOM 557 CG PRO A 42 6.084 17.454 -0.279 1.00 0.00 C ATOM 558 CD PRO A 42 5.402 16.893 0.938 1.00 0.00 C ATOM 0 HA PRO A 42 3.082 18.862 -0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.321 18.679 -1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.410 19.487 -0.309 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.233 16.682 -1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.069 17.848 -0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.598 15.827 1.053 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.745 17.380 1.851 1.00 0.00 H new ATOM 566 N GLN A 43 2.404 18.077 -2.459 1.00 0.00 N ATOM 567 CA GLN A 43 1.761 17.509 -3.639 1.00 0.00 C ATOM 568 C GLN A 43 2.691 16.529 -4.347 1.00 0.00 C ATOM 569 O GLN A 43 2.283 15.427 -4.712 1.00 0.00 O ATOM 570 CB GLN A 43 1.344 18.621 -4.603 1.00 0.00 C ATOM 571 CG GLN A 43 0.557 18.122 -5.804 1.00 0.00 C ATOM 572 CD GLN A 43 0.162 19.240 -6.749 1.00 0.00 C ATOM 573 OE1 GLN A 43 1.013 19.977 -7.246 1.00 0.00 O ATOM 574 NE2 GLN A 43 -1.135 19.371 -7.001 1.00 0.00 N ATOM 0 H GLN A 43 2.218 19.069 -2.313 1.00 0.00 H new ATOM 0 HA GLN A 43 0.873 16.968 -3.313 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.742 19.352 -4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.236 19.140 -4.954 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.154 17.388 -6.345 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.341 17.610 -5.458 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.806 18.737 -6.567 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.461 20.106 -7.629 1.00 0.00 H new ATOM 583 N GLN A 44 3.941 16.939 -4.537 1.00 0.00 N ATOM 584 CA GLN A 44 4.927 16.096 -5.203 1.00 0.00 C ATOM 585 C GLN A 44 4.918 14.685 -4.623 1.00 0.00 C ATOM 586 O GLN A 44 4.637 13.715 -5.328 1.00 0.00 O ATOM 587 CB GLN A 44 6.324 16.706 -5.068 1.00 0.00 C ATOM 588 CG GLN A 44 7.296 16.242 -6.140 1.00 0.00 C ATOM 589 CD GLN A 44 7.069 16.932 -7.471 1.00 0.00 C ATOM 590 OE1 GLN A 44 6.215 17.810 -7.591 1.00 0.00 O ATOM 591 NE2 GLN A 44 7.835 16.536 -8.481 1.00 0.00 N ATOM 0 H GLN A 44 4.295 17.848 -4.240 1.00 0.00 H new ATOM 0 HA GLN A 44 4.664 16.037 -6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.243 17.792 -5.109 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.729 16.453 -4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.316 16.431 -5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.198 15.164 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.531 15.804 -8.337 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.727 16.964 -9.401 1.00 0.00 H new ATOM 600 N THR A 45 5.226 14.578 -3.335 1.00 0.00 N ATOM 601 CA THR A 45 5.254 13.286 -2.661 1.00 0.00 C ATOM 602 C THR A 45 3.950 12.526 -2.873 1.00 0.00 C ATOM 603 O THR A 45 3.957 11.364 -3.276 1.00 0.00 O ATOM 604 CB THR A 45 5.502 13.446 -1.149 1.00 0.00 C ATOM 605 OG1 THR A 45 6.848 13.877 -0.916 1.00 0.00 O ATOM 606 CG2 THR A 45 5.250 12.136 -0.418 1.00 0.00 C ATOM 0 H THR A 45 5.460 15.371 -2.737 1.00 0.00 H new ATOM 0 HA THR A 45 6.076 12.720 -3.099 1.00 0.00 H new ATOM 0 HB THR A 45 4.810 14.196 -0.767 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.997 13.978 0.047 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.431 12.273 0.648 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.217 11.826 -0.573 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.921 11.369 -0.804 1.00 0.00 H new ATOM 614 N GLN A 46 2.832 13.192 -2.599 1.00 0.00 N ATOM 615 CA GLN A 46 1.519 12.578 -2.760 1.00 0.00 C ATOM 616 C GLN A 46 1.369 11.971 -4.152 1.00 0.00 C ATOM 617 O GLN A 46 0.958 10.820 -4.298 1.00 0.00 O ATOM 618 CB GLN A 46 0.417 13.610 -2.520 1.00 0.00 C ATOM 619 CG GLN A 46 0.239 13.981 -1.057 1.00 0.00 C ATOM 620 CD GLN A 46 -0.870 14.991 -0.841 1.00 0.00 C ATOM 621 OE1 GLN A 46 -1.420 15.540 -1.796 1.00 0.00 O ATOM 622 NE2 GLN A 46 -1.206 15.242 0.419 1.00 0.00 N ATOM 0 H GLN A 46 2.809 14.155 -2.265 1.00 0.00 H new ATOM 0 HA GLN A 46 1.426 11.780 -2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.644 14.511 -3.090 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.525 13.219 -2.904 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.022 13.081 -0.482 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.175 14.387 -0.673 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.724 14.764 1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.946 15.913 0.626 1.00 0.00 H new ATOM 631 N LYS A 47 1.705 12.753 -5.172 1.00 0.00 N ATOM 632 CA LYS A 47 1.610 12.293 -6.552 1.00 0.00 C ATOM 633 C LYS A 47 2.505 11.081 -6.786 1.00 0.00 C ATOM 634 O LYS A 47 2.102 10.113 -7.431 1.00 0.00 O ATOM 635 CB LYS A 47 1.996 13.419 -7.514 1.00 0.00 C ATOM 636 CG LYS A 47 1.006 14.570 -7.533 1.00 0.00 C ATOM 637 CD LYS A 47 1.059 15.330 -8.847 1.00 0.00 C ATOM 638 CE LYS A 47 2.252 16.272 -8.899 1.00 0.00 C ATOM 639 NZ LYS A 47 2.077 17.333 -9.930 1.00 0.00 N ATOM 0 H LYS A 47 2.046 13.709 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 47 0.577 12.000 -6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.979 13.801 -7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.085 13.011 -8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.002 14.187 -7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.222 15.250 -6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.116 14.623 -9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.139 15.899 -8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.392 16.735 -7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.156 15.702 -9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.911 17.954 -9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.969 16.893 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.229 17.894 -9.711 1.00 0.00 H new ATOM 653 N VAL A 48 3.723 11.139 -6.255 1.00 0.00 N ATOM 654 CA VAL A 48 4.675 10.045 -6.404 1.00 0.00 C ATOM 655 C VAL A 48 4.060 8.719 -5.969 1.00 0.00 C ATOM 656 O VAL A 48 4.234 7.695 -6.631 1.00 0.00 O ATOM 657 CB VAL A 48 5.954 10.298 -5.584 1.00 0.00 C ATOM 658 CG1 VAL A 48 6.857 9.075 -5.612 1.00 0.00 C ATOM 659 CG2 VAL A 48 6.686 11.525 -6.106 1.00 0.00 C ATOM 0 H VAL A 48 4.073 11.932 -5.718 1.00 0.00 H new ATOM 0 HA VAL A 48 4.935 9.993 -7.461 1.00 0.00 H new ATOM 0 HB VAL A 48 5.671 10.486 -4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.755 9.273 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.328 8.222 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.136 8.852 -6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.587 11.690 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.959 11.369 -7.150 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.037 12.397 -6.027 1.00 0.00 H new ATOM 669 N PHE A 49 3.340 8.745 -4.853 1.00 0.00 N ATOM 670 CA PHE A 49 2.698 7.545 -4.329 1.00 0.00 C ATOM 671 C PHE A 49 1.436 7.213 -5.119 1.00 0.00 C ATOM 672 O PHE A 49 1.193 6.057 -5.467 1.00 0.00 O ATOM 673 CB PHE A 49 2.354 7.729 -2.849 1.00 0.00 C ATOM 674 CG PHE A 49 1.167 6.924 -2.405 1.00 0.00 C ATOM 675 CD1 PHE A 49 -0.121 7.391 -2.613 1.00 0.00 C ATOM 676 CD2 PHE A 49 1.338 5.700 -1.779 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.216 6.653 -2.206 1.00 0.00 C ATOM 678 CE2 PHE A 49 0.247 4.957 -1.370 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.032 5.434 -1.583 1.00 0.00 C ATOM 0 H PHE A 49 3.186 9.584 -4.294 1.00 0.00 H new ATOM 0 HA PHE A 49 3.398 6.715 -4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.218 7.450 -2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.159 8.784 -2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.271 8.344 -3.099 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.335 5.322 -1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.214 7.029 -2.375 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.394 4.004 -0.884 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.886 4.855 -1.263 1.00 0.00 H new ATOM 689 N LEU A 50 0.635 8.236 -5.398 1.00 0.00 N ATOM 690 CA LEU A 50 -0.604 8.055 -6.147 1.00 0.00 C ATOM 691 C LEU A 50 -0.325 7.475 -7.530 1.00 0.00 C ATOM 692 O LEU A 50 -1.231 6.984 -8.203 1.00 0.00 O ATOM 693 CB LEU A 50 -1.342 9.388 -6.279 1.00 0.00 C ATOM 694 CG LEU A 50 -2.239 9.778 -5.104 1.00 0.00 C ATOM 695 CD1 LEU A 50 -2.741 11.205 -5.267 1.00 0.00 C ATOM 696 CD2 LEU A 50 -3.407 8.811 -4.980 1.00 0.00 C ATOM 0 H LEU A 50 0.821 9.199 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.232 7.352 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.603 10.176 -6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.953 9.354 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.650 9.724 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.378 11.465 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.892 11.887 -5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.313 11.286 -6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.034 9.104 -4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.996 8.833 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.028 7.802 -4.816 1.00 0.00 H new ATOM 708 N PHE A 51 0.935 7.534 -7.947 1.00 0.00 N ATOM 709 CA PHE A 51 1.334 7.013 -9.249 1.00 0.00 C ATOM 710 C PHE A 51 1.773 5.556 -9.141 1.00 0.00 C ATOM 711 O PHE A 51 1.582 4.769 -10.069 1.00 0.00 O ATOM 712 CB PHE A 51 2.469 7.857 -9.833 1.00 0.00 C ATOM 713 CG PHE A 51 2.963 7.361 -11.162 1.00 0.00 C ATOM 714 CD1 PHE A 51 3.727 6.207 -11.245 1.00 0.00 C ATOM 715 CD2 PHE A 51 2.665 8.047 -12.328 1.00 0.00 C ATOM 716 CE1 PHE A 51 4.183 5.747 -12.466 1.00 0.00 C ATOM 717 CE2 PHE A 51 3.118 7.592 -13.551 1.00 0.00 C ATOM 718 CZ PHE A 51 3.879 6.441 -13.620 1.00 0.00 C ATOM 0 H PHE A 51 1.697 7.937 -7.402 1.00 0.00 H new ATOM 0 HA PHE A 51 0.471 7.066 -9.913 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.126 8.886 -9.943 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.300 7.871 -9.128 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.969 5.661 -10.345 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.072 8.948 -12.280 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.776 4.846 -12.517 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.877 8.136 -14.453 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.235 6.085 -14.575 1.00 0.00 H new ATOM 728 N ILE A 52 2.362 5.204 -8.003 1.00 0.00 N ATOM 729 CA ILE A 52 2.827 3.842 -7.774 1.00 0.00 C ATOM 730 C ILE A 52 1.661 2.905 -7.477 1.00 0.00 C ATOM 731 O ILE A 52 1.669 1.742 -7.879 1.00 0.00 O ATOM 732 CB ILE A 52 3.831 3.779 -6.607 1.00 0.00 C ATOM 733 CG1 ILE A 52 5.098 4.565 -6.953 1.00 0.00 C ATOM 734 CG2 ILE A 52 4.171 2.333 -6.279 1.00 0.00 C ATOM 735 CD1 ILE A 52 5.772 5.185 -5.749 1.00 0.00 C ATOM 0 H ILE A 52 2.528 5.843 -7.226 1.00 0.00 H new ATOM 0 HA ILE A 52 3.324 3.521 -8.689 1.00 0.00 H new ATOM 0 HB ILE A 52 3.373 4.233 -5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.803 3.900 -7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.845 5.352 -7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.881 2.305 -5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.263 1.801 -5.995 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.613 1.856 -7.154 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.662 5.726 -6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.083 5.875 -5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.057 4.401 -5.047 1.00 0.00 H new ATOM 747 N ARG A 53 0.659 3.421 -6.773 1.00 0.00 N ATOM 748 CA ARG A 53 -0.515 2.631 -6.422 1.00 0.00 C ATOM 749 C ARG A 53 -1.366 2.346 -7.656 1.00 0.00 C ATOM 750 O ARG A 53 -1.831 1.225 -7.856 1.00 0.00 O ATOM 751 CB ARG A 53 -1.352 3.361 -5.370 1.00 0.00 C ATOM 752 CG ARG A 53 -2.643 2.643 -5.014 1.00 0.00 C ATOM 753 CD ARG A 53 -3.794 3.094 -5.901 1.00 0.00 C ATOM 754 NE ARG A 53 -4.606 4.125 -5.261 1.00 0.00 N ATOM 755 CZ ARG A 53 -4.444 5.427 -5.474 1.00 0.00 C ATOM 756 NH1 ARG A 53 -3.504 5.853 -6.306 1.00 0.00 N ATOM 757 NH2 ARG A 53 -5.223 6.304 -4.854 1.00 0.00 N ATOM 0 H ARG A 53 0.637 4.383 -6.434 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.173 1.682 -6.009 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.755 3.487 -4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.591 4.359 -5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.503 1.567 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.891 2.833 -3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.398 3.476 -6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.422 2.237 -6.144 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.338 3.830 -4.615 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.903 5.181 -6.784 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.381 6.853 -6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.947 5.979 -4.213 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.098 7.303 -5.018 1.00 0.00 H new ATOM 771 N ASN A 54 -1.566 3.370 -8.480 1.00 0.00 N ATOM 772 CA ASN A 54 -2.362 3.230 -9.694 1.00 0.00 C ATOM 773 C ASN A 54 -1.632 2.378 -10.728 1.00 0.00 C ATOM 774 O ASN A 54 -2.248 1.584 -11.440 1.00 0.00 O ATOM 775 CB ASN A 54 -2.679 4.606 -10.283 1.00 0.00 C ATOM 776 CG ASN A 54 -3.740 5.344 -9.488 1.00 0.00 C ATOM 777 OD1 ASN A 54 -4.424 4.757 -8.651 1.00 0.00 O ATOM 778 ND2 ASN A 54 -3.880 6.639 -9.749 1.00 0.00 N ATOM 0 H ASN A 54 -1.188 4.305 -8.329 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.295 2.731 -9.431 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.768 5.204 -10.312 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.016 4.489 -11.313 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.577 7.188 -9.246 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.290 7.084 -10.452 1.00 0.00 H new ATOM 785 N ARG A 55 -0.316 2.549 -10.805 1.00 0.00 N ATOM 786 CA ARG A 55 0.498 1.797 -11.752 1.00 0.00 C ATOM 787 C ARG A 55 0.579 0.327 -11.352 1.00 0.00 C ATOM 788 O ARG A 55 0.401 -0.565 -12.183 1.00 0.00 O ATOM 789 CB ARG A 55 1.905 2.393 -11.834 1.00 0.00 C ATOM 790 CG ARG A 55 2.830 1.643 -12.778 1.00 0.00 C ATOM 791 CD ARG A 55 2.389 1.792 -14.226 1.00 0.00 C ATOM 792 NE ARG A 55 3.366 1.232 -15.156 1.00 0.00 N ATOM 793 CZ ARG A 55 3.079 0.900 -16.410 1.00 0.00 C ATOM 794 NH1 ARG A 55 1.852 1.070 -16.881 1.00 0.00 N ATOM 795 NH2 ARG A 55 4.023 0.396 -17.195 1.00 0.00 N ATOM 0 H ARG A 55 0.209 3.202 -10.223 1.00 0.00 H new ATOM 0 HA ARG A 55 0.025 1.863 -12.732 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.832 3.431 -12.159 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.346 2.401 -10.837 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.847 2.018 -12.666 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.848 0.587 -12.509 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.429 1.295 -14.366 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.237 2.847 -14.452 1.00 0.00 H new ATOM 0 HE ARG A 55 4.320 1.088 -14.825 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.124 1.457 -16.280 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.635 0.814 -17.844 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.968 0.264 -16.835 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.803 0.141 -18.158 1.00 0.00 H new ATOM 809 N THR A 56 0.849 0.081 -10.074 1.00 0.00 N ATOM 810 CA THR A 56 0.955 -1.280 -9.564 1.00 0.00 C ATOM 811 C THR A 56 -0.198 -2.145 -10.060 1.00 0.00 C ATOM 812 O THR A 56 -0.017 -3.327 -10.359 1.00 0.00 O ATOM 813 CB THR A 56 0.973 -1.303 -8.024 1.00 0.00 C ATOM 814 OG1 THR A 56 2.141 -0.633 -7.537 1.00 0.00 O ATOM 815 CG2 THR A 56 0.948 -2.732 -7.503 1.00 0.00 C ATOM 0 H THR A 56 0.998 0.807 -9.373 1.00 0.00 H new ATOM 0 HA THR A 56 1.896 -1.685 -9.937 1.00 0.00 H new ATOM 0 HB THR A 56 0.082 -0.787 -7.665 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.217 0.245 -7.965 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.961 -2.722 -6.413 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.043 -3.230 -7.850 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.822 -3.269 -7.872 1.00 0.00 H new ATOM 823 N LEU A 57 -1.382 -1.551 -10.147 1.00 0.00 N ATOM 824 CA LEU A 57 -2.566 -2.267 -10.609 1.00 0.00 C ATOM 825 C LEU A 57 -2.509 -2.498 -12.116 1.00 0.00 C ATOM 826 O LEU A 57 -2.805 -3.592 -12.597 1.00 0.00 O ATOM 827 CB LEU A 57 -3.831 -1.487 -10.249 1.00 0.00 C ATOM 828 CG LEU A 57 -4.405 -1.746 -8.855 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.465 -0.711 -8.513 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.982 -3.152 -8.768 1.00 0.00 C ATOM 0 H LEU A 57 -1.548 -0.575 -9.904 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.591 -3.237 -10.112 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.615 -0.422 -10.339 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.600 -1.720 -10.986 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.596 -1.661 -8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.862 -0.912 -7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.021 0.284 -8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.273 -0.763 -9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.386 -3.318 -7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.778 -3.265 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.196 -3.881 -8.968 1.00 0.00 H new ATOM 842 N GLN A 58 -2.126 -1.462 -12.854 1.00 0.00 N ATOM 843 CA GLN A 58 -2.029 -1.553 -14.306 1.00 0.00 C ATOM 844 C GLN A 58 -1.346 -2.850 -14.726 1.00 0.00 C ATOM 845 O GLN A 58 -1.882 -3.615 -15.529 1.00 0.00 O ATOM 846 CB GLN A 58 -1.259 -0.354 -14.864 1.00 0.00 C ATOM 847 CG GLN A 58 -2.137 0.856 -15.141 1.00 0.00 C ATOM 848 CD GLN A 58 -3.232 0.565 -16.148 1.00 0.00 C ATOM 849 OE1 GLN A 58 -4.235 -0.073 -15.824 1.00 0.00 O ATOM 850 NE2 GLN A 58 -3.046 1.031 -17.377 1.00 0.00 N ATOM 0 H GLN A 58 -1.878 -0.550 -12.471 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.040 -1.548 -14.713 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.479 -0.072 -14.157 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.761 -0.650 -15.787 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.588 1.194 -14.208 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.517 1.673 -15.510 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.200 1.555 -17.601 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.749 0.865 -18.097 1.00 0.00 H new ATOM 859 N LEU A 59 -0.160 -3.092 -14.178 1.00 0.00 N ATOM 860 CA LEU A 59 0.598 -4.298 -14.496 1.00 0.00 C ATOM 861 C LEU A 59 -0.168 -5.549 -14.077 1.00 0.00 C ATOM 862 O LEU A 59 -0.084 -6.588 -14.731 1.00 0.00 O ATOM 863 CB LEU A 59 1.961 -4.265 -13.803 1.00 0.00 C ATOM 864 CG LEU A 59 2.791 -2.998 -14.013 1.00 0.00 C ATOM 865 CD1 LEU A 59 3.904 -2.911 -12.981 1.00 0.00 C ATOM 866 CD2 LEU A 59 3.363 -2.963 -15.423 1.00 0.00 C ATOM 0 H LEU A 59 0.298 -2.470 -13.512 1.00 0.00 H new ATOM 0 HA LEU A 59 0.747 -4.330 -15.575 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.805 -4.400 -12.733 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.543 -5.118 -14.150 1.00 0.00 H new ATOM 0 HG LEU A 59 2.139 -2.134 -13.886 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.484 -2.003 -13.147 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.472 -2.888 -11.981 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.556 -3.780 -13.075 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.951 -2.055 -15.555 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.000 -3.833 -15.579 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.548 -2.976 -16.147 1.00 0.00 H new ATOM 878 N TRP A 60 -0.916 -5.440 -12.985 1.00 0.00 N ATOM 879 CA TRP A 60 -1.699 -6.562 -12.480 1.00 0.00 C ATOM 880 C TRP A 60 -2.875 -6.864 -13.402 1.00 0.00 C ATOM 881 O TRP A 60 -3.243 -8.023 -13.596 1.00 0.00 O ATOM 882 CB TRP A 60 -2.206 -6.263 -11.068 1.00 0.00 C ATOM 883 CG TRP A 60 -3.469 -6.992 -10.724 1.00 0.00 C ATOM 884 CD1 TRP A 60 -4.719 -6.455 -10.603 1.00 0.00 C ATOM 885 CD2 TRP A 60 -3.603 -8.392 -10.453 1.00 0.00 C ATOM 886 NE1 TRP A 60 -5.622 -7.437 -10.274 1.00 0.00 N ATOM 887 CE2 TRP A 60 -4.963 -8.634 -10.177 1.00 0.00 C ATOM 888 CE3 TRP A 60 -2.708 -9.464 -10.419 1.00 0.00 C ATOM 889 CZ2 TRP A 60 -5.446 -9.903 -9.870 1.00 0.00 C ATOM 890 CZ3 TRP A 60 -3.188 -10.724 -10.115 1.00 0.00 C ATOM 891 CH2 TRP A 60 -4.547 -10.935 -9.844 1.00 0.00 C ATOM 0 H TRP A 60 -0.997 -4.586 -12.432 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.052 -7.439 -12.448 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.433 -6.531 -10.348 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.376 -5.191 -10.970 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.962 -5.412 -10.745 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.621 -7.297 -10.126 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.659 -9.311 -10.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.493 -10.067 -9.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.505 -11.560 -10.086 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.892 -11.931 -9.610 1.00 0.00 H new ATOM 902 N LEU A 61 -3.460 -5.815 -13.970 1.00 0.00 N ATOM 903 CA LEU A 61 -4.596 -5.969 -14.873 1.00 0.00 C ATOM 904 C LEU A 61 -4.144 -6.503 -16.229 1.00 0.00 C ATOM 905 O LEU A 61 -4.947 -7.033 -16.997 1.00 0.00 O ATOM 906 CB LEU A 61 -5.314 -4.630 -15.053 1.00 0.00 C ATOM 907 CG LEU A 61 -6.441 -4.335 -14.062 1.00 0.00 C ATOM 908 CD1 LEU A 61 -7.035 -2.960 -14.324 1.00 0.00 C ATOM 909 CD2 LEU A 61 -7.517 -5.407 -14.144 1.00 0.00 C ATOM 0 H LEU A 61 -3.167 -4.849 -13.822 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.286 -6.688 -14.431 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.575 -3.832 -14.981 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.725 -4.594 -16.062 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.025 -4.343 -13.055 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.835 -2.767 -13.610 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.260 -2.202 -14.214 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.436 -2.924 -15.337 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.311 -5.181 -13.432 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.930 -5.432 -15.152 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.082 -6.378 -13.906 1.00 0.00 H new ATOM 921 N ASP A 62 -2.855 -6.361 -16.515 1.00 0.00 N ATOM 922 CA ASP A 62 -2.295 -6.832 -17.777 1.00 0.00 C ATOM 923 C ASP A 62 -1.615 -8.186 -17.598 1.00 0.00 C ATOM 924 O ASP A 62 -1.493 -8.960 -18.546 1.00 0.00 O ATOM 925 CB ASP A 62 -1.296 -5.814 -18.328 1.00 0.00 C ATOM 926 CG ASP A 62 -1.975 -4.678 -19.068 1.00 0.00 C ATOM 927 OD1 ASP A 62 -2.436 -4.903 -20.207 1.00 0.00 O ATOM 928 OD2 ASP A 62 -2.047 -3.565 -18.507 1.00 0.00 O ATOM 0 H ASP A 62 -2.178 -5.924 -15.890 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.113 -6.948 -18.488 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.706 -5.407 -17.507 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.602 -6.318 -19.000 1.00 0.00 H new ATOM 933 N ASN A 63 -1.173 -8.463 -16.376 1.00 0.00 N ATOM 934 CA ASN A 63 -0.503 -9.722 -16.073 1.00 0.00 C ATOM 935 C ASN A 63 -1.108 -10.377 -14.835 1.00 0.00 C ATOM 936 O ASN A 63 -0.403 -10.888 -13.964 1.00 0.00 O ATOM 937 CB ASN A 63 0.994 -9.489 -15.859 1.00 0.00 C ATOM 938 CG ASN A 63 1.724 -10.754 -15.448 1.00 0.00 C ATOM 939 OD1 ASN A 63 2.819 -10.698 -14.890 1.00 0.00 O ATOM 940 ND2 ASN A 63 1.117 -11.902 -15.723 1.00 0.00 N ATOM 0 H ASN A 63 -1.267 -7.833 -15.580 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.643 -10.392 -16.922 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.434 -9.102 -16.778 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.134 -8.727 -15.093 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.559 -12.786 -15.470 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.209 -11.900 -16.187 1.00 0.00 H new ATOM 947 N PRO A 64 -2.447 -10.362 -14.753 1.00 0.00 N ATOM 948 CA PRO A 64 -3.178 -10.950 -13.627 1.00 0.00 C ATOM 949 C PRO A 64 -3.096 -12.473 -13.615 1.00 0.00 C ATOM 950 O PRO A 64 -3.677 -13.130 -12.750 1.00 0.00 O ATOM 951 CB PRO A 64 -4.620 -10.494 -13.862 1.00 0.00 C ATOM 952 CG PRO A 64 -4.708 -10.259 -15.330 1.00 0.00 C ATOM 953 CD PRO A 64 -3.350 -9.770 -15.754 1.00 0.00 C ATOM 0 HA PRO A 64 -2.769 -10.636 -12.667 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.333 -11.253 -13.539 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.845 -9.587 -13.302 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.975 -11.175 -15.857 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.478 -9.523 -15.562 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.102 -10.098 -16.763 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.296 -8.681 -15.750 1.00 0.00 H new ATOM 961 N LYS A 65 -2.372 -13.029 -14.580 1.00 0.00 N ATOM 962 CA LYS A 65 -2.212 -14.475 -14.680 1.00 0.00 C ATOM 963 C LYS A 65 -1.134 -14.971 -13.722 1.00 0.00 C ATOM 964 O LYS A 65 -1.152 -16.127 -13.298 1.00 0.00 O ATOM 965 CB LYS A 65 -1.855 -14.871 -16.115 1.00 0.00 C ATOM 966 CG LYS A 65 -0.689 -14.087 -16.690 1.00 0.00 C ATOM 967 CD LYS A 65 0.053 -14.886 -17.748 1.00 0.00 C ATOM 968 CE LYS A 65 1.357 -14.211 -18.144 1.00 0.00 C ATOM 969 NZ LYS A 65 2.141 -15.038 -19.103 1.00 0.00 N ATOM 0 H LYS A 65 -1.886 -12.500 -15.304 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.159 -14.940 -14.406 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.615 -15.934 -16.141 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.728 -14.726 -16.751 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.054 -13.157 -17.125 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.001 -13.816 -15.889 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.260 -15.887 -17.370 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.580 -15.002 -18.628 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.142 -13.241 -18.592 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.955 -14.025 -17.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.022 -14.543 -19.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.368 -15.954 -18.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.581 -15.195 -19.965 1.00 0.00 H new ATOM 983 N ILE A 66 -0.198 -14.091 -13.384 1.00 0.00 N ATOM 984 CA ILE A 66 0.885 -14.440 -12.474 1.00 0.00 C ATOM 985 C ILE A 66 1.006 -13.420 -11.346 1.00 0.00 C ATOM 986 O ILE A 66 0.975 -12.213 -11.583 1.00 0.00 O ATOM 987 CB ILE A 66 2.233 -14.533 -13.213 1.00 0.00 C ATOM 988 CG1 ILE A 66 2.889 -13.154 -13.300 1.00 0.00 C ATOM 989 CG2 ILE A 66 2.036 -15.121 -14.602 1.00 0.00 C ATOM 990 CD1 ILE A 66 4.149 -13.135 -14.136 1.00 0.00 C ATOM 0 H ILE A 66 -0.168 -13.131 -13.727 1.00 0.00 H new ATOM 0 HA ILE A 66 0.642 -15.416 -12.054 1.00 0.00 H new ATOM 0 HB ILE A 66 2.894 -15.193 -12.651 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.174 -12.446 -13.720 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.126 -12.809 -12.293 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.998 -15.180 -15.112 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.608 -16.120 -14.517 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.361 -14.485 -15.174 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.559 -12.125 -14.153 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.882 -13.817 -13.705 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.915 -13.449 -15.153 1.00 0.00 H new ATOM 1002 N GLN A 67 1.146 -13.914 -10.121 1.00 0.00 N ATOM 1003 CA GLN A 67 1.273 -13.046 -8.957 1.00 0.00 C ATOM 1004 C GLN A 67 2.259 -11.914 -9.227 1.00 0.00 C ATOM 1005 O GLN A 67 3.340 -12.135 -9.776 1.00 0.00 O ATOM 1006 CB GLN A 67 1.727 -13.852 -7.739 1.00 0.00 C ATOM 1007 CG GLN A 67 3.216 -14.156 -7.730 1.00 0.00 C ATOM 1008 CD GLN A 67 3.653 -14.970 -8.932 1.00 0.00 C ATOM 1009 OE1 GLN A 67 3.313 -16.148 -9.055 1.00 0.00 O ATOM 1010 NE2 GLN A 67 4.410 -14.347 -9.826 1.00 0.00 N ATOM 0 H GLN A 67 1.174 -14.911 -9.909 1.00 0.00 H new ATOM 0 HA GLN A 67 0.295 -12.611 -8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.472 -13.301 -6.834 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.173 -14.790 -7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.774 -13.220 -7.708 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.467 -14.698 -6.818 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.668 -13.370 -9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.734 -14.845 -10.655 1.00 0.00 H new ATOM 1019 N LEU A 68 1.881 -10.701 -8.839 1.00 0.00 N ATOM 1020 CA LEU A 68 2.732 -9.533 -9.040 1.00 0.00 C ATOM 1021 C LEU A 68 3.643 -9.310 -7.838 1.00 0.00 C ATOM 1022 O LEU A 68 3.228 -8.743 -6.826 1.00 0.00 O ATOM 1023 CB LEU A 68 1.875 -8.289 -9.283 1.00 0.00 C ATOM 1024 CG LEU A 68 2.609 -7.065 -9.832 1.00 0.00 C ATOM 1025 CD1 LEU A 68 3.154 -7.349 -11.223 1.00 0.00 C ATOM 1026 CD2 LEU A 68 1.686 -5.856 -9.855 1.00 0.00 C ATOM 0 H LEU A 68 0.991 -10.500 -8.383 1.00 0.00 H new ATOM 0 HA LEU A 68 3.355 -9.714 -9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.078 -8.552 -9.978 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.399 -8.011 -8.343 1.00 0.00 H new ATOM 0 HG LEU A 68 3.449 -6.843 -9.174 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.673 -6.467 -11.598 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.849 -8.187 -11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.331 -7.597 -11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.225 -4.994 -10.249 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.826 -6.067 -10.490 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.345 -5.639 -8.843 1.00 0.00 H new ATOM 1038 N THR A 69 4.889 -9.759 -7.955 1.00 0.00 N ATOM 1039 CA THR A 69 5.861 -9.608 -6.879 1.00 0.00 C ATOM 1040 C THR A 69 6.267 -8.149 -6.706 1.00 0.00 C ATOM 1041 O THR A 69 5.923 -7.297 -7.526 1.00 0.00 O ATOM 1042 CB THR A 69 7.122 -10.453 -7.138 1.00 0.00 C ATOM 1043 OG1 THR A 69 7.860 -9.907 -8.237 1.00 0.00 O ATOM 1044 CG2 THR A 69 6.753 -11.898 -7.436 1.00 0.00 C ATOM 0 H THR A 69 5.249 -10.231 -8.785 1.00 0.00 H new ATOM 0 HA THR A 69 5.379 -9.959 -5.966 1.00 0.00 H new ATOM 0 HB THR A 69 7.739 -10.430 -6.240 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.661 -10.449 -8.394 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.660 -12.475 -7.616 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.217 -12.319 -6.586 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.117 -11.936 -8.321 1.00 0.00 H new ATOM 1052 N PHE A 70 7.000 -7.867 -5.634 1.00 0.00 N ATOM 1053 CA PHE A 70 7.454 -6.509 -5.353 1.00 0.00 C ATOM 1054 C PHE A 70 8.541 -6.085 -6.336 1.00 0.00 C ATOM 1055 O PHE A 70 8.546 -4.954 -6.821 1.00 0.00 O ATOM 1056 CB PHE A 70 7.980 -6.411 -3.920 1.00 0.00 C ATOM 1057 CG PHE A 70 8.902 -5.247 -3.699 1.00 0.00 C ATOM 1058 CD1 PHE A 70 8.404 -4.016 -3.302 1.00 0.00 C ATOM 1059 CD2 PHE A 70 10.268 -5.383 -3.887 1.00 0.00 C ATOM 1060 CE1 PHE A 70 9.251 -2.944 -3.098 1.00 0.00 C ATOM 1061 CE2 PHE A 70 11.120 -4.314 -3.685 1.00 0.00 C ATOM 1062 CZ PHE A 70 10.611 -3.093 -3.289 1.00 0.00 C ATOM 0 H PHE A 70 7.293 -8.560 -4.945 1.00 0.00 H new ATOM 0 HA PHE A 70 6.603 -5.837 -5.467 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.135 -6.330 -3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.505 -7.333 -3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.342 -3.894 -3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.672 -6.336 -4.195 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.850 -1.990 -2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 70 12.183 -4.433 -3.837 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.275 -2.256 -3.129 1.00 0.00 H new ATOM 1072 N GLU A 71 9.461 -7.000 -6.624 1.00 0.00 N ATOM 1073 CA GLU A 71 10.554 -6.720 -7.548 1.00 0.00 C ATOM 1074 C GLU A 71 10.018 -6.292 -8.911 1.00 0.00 C ATOM 1075 O GLU A 71 10.327 -5.204 -9.397 1.00 0.00 O ATOM 1076 CB GLU A 71 11.448 -7.952 -7.703 1.00 0.00 C ATOM 1077 CG GLU A 71 12.495 -8.086 -6.610 1.00 0.00 C ATOM 1078 CD GLU A 71 13.753 -7.293 -6.907 1.00 0.00 C ATOM 1079 OE1 GLU A 71 14.208 -7.318 -8.070 1.00 0.00 O ATOM 1080 OE2 GLU A 71 14.283 -6.649 -5.978 1.00 0.00 O ATOM 0 H GLU A 71 9.471 -7.941 -6.231 1.00 0.00 H new ATOM 0 HA GLU A 71 11.144 -5.901 -7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.823 -8.845 -7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.948 -7.908 -8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.072 -7.749 -5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.754 -9.138 -6.487 1.00 0.00 H new ATOM 1087 N ALA A 72 9.214 -7.155 -9.522 1.00 0.00 N ATOM 1088 CA ALA A 72 8.634 -6.867 -10.828 1.00 0.00 C ATOM 1089 C ALA A 72 8.046 -5.460 -10.869 1.00 0.00 C ATOM 1090 O ALA A 72 8.426 -4.641 -11.706 1.00 0.00 O ATOM 1091 CB ALA A 72 7.567 -7.896 -11.170 1.00 0.00 C ATOM 0 H ALA A 72 8.949 -8.060 -9.133 1.00 0.00 H new ATOM 0 HA ALA A 72 9.429 -6.923 -11.571 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.142 -7.669 -12.148 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.014 -8.890 -11.191 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.779 -7.868 -10.417 1.00 0.00 H new ATOM 1097 N THR A 73 7.116 -5.185 -9.959 1.00 0.00 N ATOM 1098 CA THR A 73 6.475 -3.878 -9.893 1.00 0.00 C ATOM 1099 C THR A 73 7.509 -2.759 -9.872 1.00 0.00 C ATOM 1100 O THR A 73 7.342 -1.733 -10.534 1.00 0.00 O ATOM 1101 CB THR A 73 5.577 -3.756 -8.647 1.00 0.00 C ATOM 1102 OG1 THR A 73 4.599 -4.802 -8.643 1.00 0.00 O ATOM 1103 CG2 THR A 73 4.881 -2.403 -8.613 1.00 0.00 C ATOM 0 H THR A 73 6.790 -5.850 -9.258 1.00 0.00 H new ATOM 0 HA THR A 73 5.859 -3.782 -10.787 1.00 0.00 H new ATOM 0 HB THR A 73 6.207 -3.846 -7.762 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.000 -5.623 -8.288 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.252 -2.339 -7.725 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.628 -1.610 -8.586 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.263 -2.289 -9.504 1.00 0.00 H new ATOM 1111 N LEU A 74 8.578 -2.961 -9.110 1.00 0.00 N ATOM 1112 CA LEU A 74 9.641 -1.968 -9.004 1.00 0.00 C ATOM 1113 C LEU A 74 10.371 -1.808 -10.334 1.00 0.00 C ATOM 1114 O LEU A 74 10.491 -0.700 -10.857 1.00 0.00 O ATOM 1115 CB LEU A 74 10.632 -2.368 -7.910 1.00 0.00 C ATOM 1116 CG LEU A 74 11.985 -1.656 -7.937 1.00 0.00 C ATOM 1117 CD1 LEU A 74 11.933 -0.381 -7.109 1.00 0.00 C ATOM 1118 CD2 LEU A 74 13.084 -2.578 -7.430 1.00 0.00 C ATOM 0 H LEU A 74 8.732 -3.804 -8.556 1.00 0.00 H new ATOM 0 HA LEU A 74 9.187 -1.012 -8.742 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.167 -2.185 -6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.807 -3.441 -7.981 1.00 0.00 H new ATOM 0 HG LEU A 74 12.212 -1.387 -8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.904 0.113 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.174 0.287 -7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.684 -0.627 -6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.039 -2.054 -7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.863 -2.878 -6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.138 -3.463 -8.064 1.00 0.00 H new ATOM 1130 N GLN A 75 10.855 -2.921 -10.875 1.00 0.00 N ATOM 1131 CA GLN A 75 11.572 -2.903 -12.145 1.00 0.00 C ATOM 1132 C GLN A 75 10.774 -2.158 -13.210 1.00 0.00 C ATOM 1133 O GLN A 75 11.304 -1.287 -13.899 1.00 0.00 O ATOM 1134 CB GLN A 75 11.859 -4.331 -12.612 1.00 0.00 C ATOM 1135 CG GLN A 75 12.903 -5.048 -11.771 1.00 0.00 C ATOM 1136 CD GLN A 75 13.692 -6.070 -12.566 1.00 0.00 C ATOM 1137 OE1 GLN A 75 13.209 -7.170 -12.836 1.00 0.00 O ATOM 1138 NE2 GLN A 75 14.913 -5.711 -12.945 1.00 0.00 N ATOM 0 H GLN A 75 10.764 -3.846 -10.455 1.00 0.00 H new ATOM 0 HA GLN A 75 12.517 -2.381 -11.993 1.00 0.00 H new ATOM 0 HB2 GLN A 75 10.932 -4.904 -12.592 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.195 -4.305 -13.649 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.589 -4.314 -11.348 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.411 -5.545 -10.935 1.00 0.00 H new ATOM 0 HE21 GLN A 75 15.273 -4.789 -12.699 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.491 -6.357 -13.482 1.00 0.00 H new ATOM 1147 N GLN A 76 9.498 -2.507 -13.339 1.00 0.00 N ATOM 1148 CA GLN A 76 8.628 -1.871 -14.321 1.00 0.00 C ATOM 1149 C GLN A 76 8.416 -0.398 -13.988 1.00 0.00 C ATOM 1150 O GLN A 76 8.356 0.449 -14.880 1.00 0.00 O ATOM 1151 CB GLN A 76 7.280 -2.592 -14.382 1.00 0.00 C ATOM 1152 CG GLN A 76 7.389 -4.052 -14.791 1.00 0.00 C ATOM 1153 CD GLN A 76 6.184 -4.869 -14.365 1.00 0.00 C ATOM 1154 OE1 GLN A 76 5.408 -5.334 -15.201 1.00 0.00 O ATOM 1155 NE2 GLN A 76 6.021 -5.047 -13.060 1.00 0.00 N ATOM 0 H GLN A 76 9.044 -3.226 -12.776 1.00 0.00 H new ATOM 0 HA GLN A 76 9.112 -1.938 -15.295 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.801 -2.532 -13.405 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.631 -2.073 -15.088 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.502 -4.115 -15.873 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.289 -4.482 -14.351 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.689 -4.644 -12.403 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.228 -5.587 -12.714 1.00 0.00 H new ATOM 1164 N LEU A 77 8.302 -0.099 -12.699 1.00 0.00 N ATOM 1165 CA LEU A 77 8.096 1.273 -12.247 1.00 0.00 C ATOM 1166 C LEU A 77 9.221 2.181 -12.734 1.00 0.00 C ATOM 1167 O LEU A 77 10.275 1.707 -13.156 1.00 0.00 O ATOM 1168 CB LEU A 77 8.011 1.320 -10.720 1.00 0.00 C ATOM 1169 CG LEU A 77 6.606 1.234 -10.123 1.00 0.00 C ATOM 1170 CD1 LEU A 77 6.662 0.691 -8.704 1.00 0.00 C ATOM 1171 CD2 LEU A 77 5.931 2.598 -10.149 1.00 0.00 C ATOM 0 H LEU A 77 8.349 -0.788 -11.948 1.00 0.00 H new ATOM 0 HA LEU A 77 7.157 1.632 -12.668 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.606 0.500 -10.318 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.473 2.246 -10.379 1.00 0.00 H new ATOM 0 HG LEU A 77 6.015 0.547 -10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.653 0.637 -8.295 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.104 -0.305 -8.713 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.269 1.352 -8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.932 2.518 -9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.520 3.307 -9.567 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.857 2.948 -11.179 1.00 0.00 H new ATOM 1183 N GLU A 78 8.989 3.488 -12.669 1.00 0.00 N ATOM 1184 CA GLU A 78 9.984 4.462 -13.102 1.00 0.00 C ATOM 1185 C GLU A 78 10.134 5.581 -12.075 1.00 0.00 C ATOM 1186 O GLU A 78 9.169 6.271 -11.747 1.00 0.00 O ATOM 1187 CB GLU A 78 9.596 5.051 -14.460 1.00 0.00 C ATOM 1188 CG GLU A 78 8.246 5.749 -14.458 1.00 0.00 C ATOM 1189 CD GLU A 78 7.896 6.347 -15.807 1.00 0.00 C ATOM 1190 OE1 GLU A 78 8.801 6.903 -16.463 1.00 0.00 O ATOM 1191 OE2 GLU A 78 6.716 6.258 -16.206 1.00 0.00 O ATOM 0 H GLU A 78 8.122 3.897 -12.321 1.00 0.00 H new ATOM 0 HA GLU A 78 10.941 3.948 -13.196 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.362 5.761 -14.771 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.582 4.253 -15.202 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.473 5.037 -14.169 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.250 6.537 -13.705 1.00 0.00 H new ATOM 1198 N ALA A 79 11.351 5.753 -11.569 1.00 0.00 N ATOM 1199 CA ALA A 79 11.628 6.787 -10.581 1.00 0.00 C ATOM 1200 C ALA A 79 10.968 8.106 -10.966 1.00 0.00 C ATOM 1201 O ALA A 79 10.685 8.368 -12.135 1.00 0.00 O ATOM 1202 CB ALA A 79 13.130 6.974 -10.419 1.00 0.00 C ATOM 0 H ALA A 79 12.161 5.189 -11.828 1.00 0.00 H new ATOM 0 HA ALA A 79 11.208 6.465 -9.628 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.322 7.750 -9.678 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.580 6.037 -10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.565 7.269 -11.374 1.00 0.00 H new ATOM 1208 N PRO A 80 10.715 8.958 -9.961 1.00 0.00 N ATOM 1209 CA PRO A 80 11.047 8.657 -8.566 1.00 0.00 C ATOM 1210 C PRO A 80 10.166 7.556 -7.985 1.00 0.00 C ATOM 1211 O PRO A 80 10.392 7.092 -6.867 1.00 0.00 O ATOM 1212 CB PRO A 80 10.791 9.983 -7.846 1.00 0.00 C ATOM 1213 CG PRO A 80 9.787 10.686 -8.693 1.00 0.00 C ATOM 1214 CD PRO A 80 10.085 10.281 -10.110 1.00 0.00 C ATOM 0 HA PRO A 80 12.068 8.289 -8.460 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.413 9.819 -6.837 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.707 10.566 -7.752 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.773 10.404 -8.411 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.862 11.767 -8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.178 10.229 -10.712 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.752 10.991 -10.599 1.00 0.00 H new ATOM 1222 N TYR A 81 9.162 7.143 -8.750 1.00 0.00 N ATOM 1223 CA TYR A 81 8.245 6.098 -8.309 1.00 0.00 C ATOM 1224 C TYR A 81 9.010 4.907 -7.741 1.00 0.00 C ATOM 1225 O TYR A 81 8.852 4.554 -6.573 1.00 0.00 O ATOM 1226 CB TYR A 81 7.361 5.643 -9.472 1.00 0.00 C ATOM 1227 CG TYR A 81 6.749 6.786 -10.251 1.00 0.00 C ATOM 1228 CD1 TYR A 81 6.340 7.949 -9.610 1.00 0.00 C ATOM 1229 CD2 TYR A 81 6.579 6.702 -11.627 1.00 0.00 C ATOM 1230 CE1 TYR A 81 5.780 8.995 -10.317 1.00 0.00 C ATOM 1231 CE2 TYR A 81 6.021 7.744 -12.342 1.00 0.00 C ATOM 1232 CZ TYR A 81 5.623 8.888 -11.683 1.00 0.00 C ATOM 1233 OH TYR A 81 5.066 9.927 -12.392 1.00 0.00 O ATOM 0 H TYR A 81 8.962 7.515 -9.678 1.00 0.00 H new ATOM 0 HA TYR A 81 7.614 6.511 -7.522 1.00 0.00 H new ATOM 0 HB2 TYR A 81 7.954 5.029 -10.150 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.563 5.010 -9.085 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.462 8.037 -8.541 1.00 0.00 H new ATOM 0 HD2 TYR A 81 6.888 5.807 -12.147 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.467 9.892 -9.803 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.897 7.663 -13.412 1.00 0.00 H new ATOM 0 HH TYR A 81 4.171 9.671 -12.700 1.00 0.00 H new ATOM 1243 N ASN A 82 9.841 4.292 -8.576 1.00 0.00 N ATOM 1244 CA ASN A 82 10.631 3.140 -8.158 1.00 0.00 C ATOM 1245 C ASN A 82 11.774 3.568 -7.243 1.00 0.00 C ATOM 1246 O ASN A 82 12.113 2.869 -6.288 1.00 0.00 O ATOM 1247 CB ASN A 82 11.188 2.407 -9.380 1.00 0.00 C ATOM 1248 CG ASN A 82 12.545 2.937 -9.803 1.00 0.00 C ATOM 1249 OD1 ASN A 82 13.497 2.929 -9.023 1.00 0.00 O ATOM 1250 ND2 ASN A 82 12.638 3.401 -11.044 1.00 0.00 N ATOM 0 H ASN A 82 9.985 4.572 -9.546 1.00 0.00 H new ATOM 0 HA ASN A 82 9.979 2.465 -7.604 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.270 1.343 -9.156 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.488 2.505 -10.210 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.525 3.770 -11.385 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.822 3.388 -11.656 1.00 0.00 H new ATOM 1257 N SER A 83 12.364 4.721 -7.541 1.00 0.00 N ATOM 1258 CA SER A 83 13.471 5.242 -6.748 1.00 0.00 C ATOM 1259 C SER A 83 13.261 4.949 -5.265 1.00 0.00 C ATOM 1260 O SER A 83 14.125 4.367 -4.608 1.00 0.00 O ATOM 1261 CB SER A 83 13.619 6.749 -6.966 1.00 0.00 C ATOM 1262 OG SER A 83 14.634 7.287 -6.137 1.00 0.00 O ATOM 0 H SER A 83 12.094 5.313 -8.327 1.00 0.00 H new ATOM 0 HA SER A 83 14.385 4.745 -7.074 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.856 6.947 -8.011 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.672 7.245 -6.755 1.00 0.00 H new ATOM 0 HG SER A 83 14.710 8.251 -6.296 1.00 0.00 H new ATOM 1268 N ASP A 84 12.109 5.356 -4.746 1.00 0.00 N ATOM 1269 CA ASP A 84 11.783 5.137 -3.341 1.00 0.00 C ATOM 1270 C ASP A 84 11.196 3.746 -3.130 1.00 0.00 C ATOM 1271 O ASP A 84 9.977 3.571 -3.105 1.00 0.00 O ATOM 1272 CB ASP A 84 10.798 6.200 -2.852 1.00 0.00 C ATOM 1273 CG ASP A 84 11.458 7.549 -2.643 1.00 0.00 C ATOM 1274 OD1 ASP A 84 12.609 7.577 -2.161 1.00 0.00 O ATOM 1275 OD2 ASP A 84 10.823 8.576 -2.961 1.00 0.00 O ATOM 0 H ASP A 84 11.384 5.840 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 84 12.704 5.214 -2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.990 6.303 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.347 5.870 -1.916 1.00 0.00 H new ATOM 1280 N THR A 85 12.071 2.756 -2.978 1.00 0.00 N ATOM 1281 CA THR A 85 11.639 1.380 -2.771 1.00 0.00 C ATOM 1282 C THR A 85 10.671 1.277 -1.598 1.00 0.00 C ATOM 1283 O THR A 85 9.619 0.645 -1.701 1.00 0.00 O ATOM 1284 CB THR A 85 12.838 0.447 -2.515 1.00 0.00 C ATOM 1285 OG1 THR A 85 13.639 0.962 -1.445 1.00 0.00 O ATOM 1286 CG2 THR A 85 13.689 0.304 -3.767 1.00 0.00 C ATOM 0 H THR A 85 13.083 2.882 -2.994 1.00 0.00 H new ATOM 0 HA THR A 85 11.133 1.068 -3.684 1.00 0.00 H new ATOM 0 HB THR A 85 12.454 -0.536 -2.241 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.398 0.363 -1.287 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.529 -0.359 -3.562 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.085 -0.114 -4.572 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.064 1.283 -4.066 1.00 0.00 H new ATOM 1294 N VAL A 86 11.032 1.903 -0.482 1.00 0.00 N ATOM 1295 CA VAL A 86 10.193 1.884 0.710 1.00 0.00 C ATOM 1296 C VAL A 86 8.733 2.148 0.360 1.00 0.00 C ATOM 1297 O VAL A 86 7.826 1.547 0.938 1.00 0.00 O ATOM 1298 CB VAL A 86 10.660 2.930 1.741 1.00 0.00 C ATOM 1299 CG1 VAL A 86 10.212 4.323 1.328 1.00 0.00 C ATOM 1300 CG2 VAL A 86 10.137 2.581 3.126 1.00 0.00 C ATOM 0 H VAL A 86 11.900 2.429 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 86 10.284 0.889 1.145 1.00 0.00 H new ATOM 0 HB VAL A 86 11.749 2.921 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.551 5.048 2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.639 4.569 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.124 4.351 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.476 3.330 3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.047 2.562 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.513 1.601 3.420 1.00 0.00 H new ATOM 1310 N LEU A 87 8.512 3.050 -0.590 1.00 0.00 N ATOM 1311 CA LEU A 87 7.161 3.394 -1.019 1.00 0.00 C ATOM 1312 C LEU A 87 6.566 2.287 -1.884 1.00 0.00 C ATOM 1313 O LEU A 87 5.390 1.947 -1.754 1.00 0.00 O ATOM 1314 CB LEU A 87 7.171 4.713 -1.794 1.00 0.00 C ATOM 1315 CG LEU A 87 5.845 5.473 -1.840 1.00 0.00 C ATOM 1316 CD1 LEU A 87 5.410 5.875 -0.440 1.00 0.00 C ATOM 1317 CD2 LEU A 87 5.965 6.698 -2.735 1.00 0.00 C ATOM 0 H LEU A 87 9.251 3.556 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 87 6.541 3.507 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.925 5.365 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.485 4.508 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 87 5.085 4.813 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.465 6.415 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.284 4.982 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.169 6.517 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.012 7.227 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.739 7.359 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.230 6.386 -3.745 1.00 0.00 H new ATOM 1329 N VAL A 88 7.387 1.727 -2.767 1.00 0.00 N ATOM 1330 CA VAL A 88 6.944 0.656 -3.652 1.00 0.00 C ATOM 1331 C VAL A 88 6.607 -0.604 -2.863 1.00 0.00 C ATOM 1332 O VAL A 88 5.775 -1.409 -3.283 1.00 0.00 O ATOM 1333 CB VAL A 88 8.015 0.318 -4.705 1.00 0.00 C ATOM 1334 CG1 VAL A 88 7.556 -0.836 -5.582 1.00 0.00 C ATOM 1335 CG2 VAL A 88 8.339 1.543 -5.547 1.00 0.00 C ATOM 0 H VAL A 88 8.363 1.997 -2.888 1.00 0.00 H new ATOM 0 HA VAL A 88 6.048 1.015 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 88 8.924 0.010 -4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.326 -1.061 -6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.379 -1.716 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.633 -0.560 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.098 1.286 -6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.437 1.884 -6.056 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.714 2.338 -4.903 1.00 0.00 H new ATOM 1345 N HIS A 89 7.258 -0.769 -1.716 1.00 0.00 N ATOM 1346 CA HIS A 89 7.027 -1.932 -0.866 1.00 0.00 C ATOM 1347 C HIS A 89 5.754 -1.759 -0.043 1.00 0.00 C ATOM 1348 O HIS A 89 5.012 -2.716 0.180 1.00 0.00 O ATOM 1349 CB HIS A 89 8.221 -2.159 0.061 1.00 0.00 C ATOM 1350 CG HIS A 89 8.036 -3.304 1.008 1.00 0.00 C ATOM 1351 ND1 HIS A 89 8.814 -4.442 0.975 1.00 0.00 N ATOM 1352 CD2 HIS A 89 7.155 -3.482 2.020 1.00 0.00 C ATOM 1353 CE1 HIS A 89 8.419 -5.271 1.925 1.00 0.00 C ATOM 1354 NE2 HIS A 89 7.413 -4.712 2.574 1.00 0.00 N ATOM 0 H HIS A 89 7.949 -0.112 -1.354 1.00 0.00 H new ATOM 0 HA HIS A 89 6.907 -2.803 -1.510 1.00 0.00 H new ATOM 0 HB2 HIS A 89 9.110 -2.338 -0.543 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.403 -1.250 0.634 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.391 -2.786 2.334 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.846 -6.241 2.135 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.910 -5.126 3.359 1.00 0.00 H new ATOM 1363 N ARG A 90 5.509 -0.533 0.408 1.00 0.00 N ATOM 1364 CA ARG A 90 4.327 -0.235 1.208 1.00 0.00 C ATOM 1365 C ARG A 90 3.081 -0.162 0.331 1.00 0.00 C ATOM 1366 O ARG A 90 2.015 -0.649 0.707 1.00 0.00 O ATOM 1367 CB ARG A 90 4.513 1.084 1.960 1.00 0.00 C ATOM 1368 CG ARG A 90 5.636 1.049 2.984 1.00 0.00 C ATOM 1369 CD ARG A 90 6.097 2.450 3.354 1.00 0.00 C ATOM 1370 NE ARG A 90 6.991 2.444 4.509 1.00 0.00 N ATOM 1371 CZ ARG A 90 7.216 3.510 5.269 1.00 0.00 C ATOM 1372 NH1 ARG A 90 6.614 4.660 4.999 1.00 0.00 N ATOM 1373 NH2 ARG A 90 8.043 3.426 6.303 1.00 0.00 N ATOM 0 H ARG A 90 6.113 0.270 0.233 1.00 0.00 H new ATOM 0 HA ARG A 90 4.195 -1.041 1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.714 1.877 1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.581 1.339 2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.297 0.528 3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.477 0.482 2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.607 2.900 2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.229 3.072 3.571 1.00 0.00 H new ATOM 0 HE ARG A 90 7.468 1.574 4.745 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.976 4.728 4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.789 5.477 5.584 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.507 2.542 6.515 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.215 4.245 6.886 1.00 0.00 H new ATOM 1387 N VAL A 91 3.222 0.452 -0.840 1.00 0.00 N ATOM 1388 CA VAL A 91 2.109 0.589 -1.771 1.00 0.00 C ATOM 1389 C VAL A 91 1.644 -0.772 -2.276 1.00 0.00 C ATOM 1390 O VAL A 91 0.479 -1.139 -2.123 1.00 0.00 O ATOM 1391 CB VAL A 91 2.489 1.469 -2.976 1.00 0.00 C ATOM 1392 CG1 VAL A 91 1.361 1.496 -3.995 1.00 0.00 C ATOM 1393 CG2 VAL A 91 2.838 2.877 -2.517 1.00 0.00 C ATOM 0 H VAL A 91 4.097 0.862 -1.166 1.00 0.00 H new ATOM 0 HA VAL A 91 1.297 1.067 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 91 3.368 1.039 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.648 2.123 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.163 0.483 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.462 1.901 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.104 3.486 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.979 3.319 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.682 2.836 -1.828 1.00 0.00 H new ATOM 1403 N HIS A 92 2.564 -1.519 -2.879 1.00 0.00 N ATOM 1404 CA HIS A 92 2.250 -2.841 -3.407 1.00 0.00 C ATOM 1405 C HIS A 92 1.579 -3.706 -2.344 1.00 0.00 C ATOM 1406 O HIS A 92 0.824 -4.624 -2.661 1.00 0.00 O ATOM 1407 CB HIS A 92 3.519 -3.527 -3.913 1.00 0.00 C ATOM 1408 CG HIS A 92 3.254 -4.777 -4.694 1.00 0.00 C ATOM 1409 ND1 HIS A 92 2.973 -5.990 -4.101 1.00 0.00 N ATOM 1410 CD2 HIS A 92 3.227 -4.998 -6.029 1.00 0.00 C ATOM 1411 CE1 HIS A 92 2.786 -6.903 -5.038 1.00 0.00 C ATOM 1412 NE2 HIS A 92 2.934 -6.326 -6.217 1.00 0.00 N ATOM 0 H HIS A 92 3.533 -1.231 -3.014 1.00 0.00 H new ATOM 0 HA HIS A 92 1.557 -2.717 -4.239 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.075 -2.829 -4.539 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.156 -3.768 -3.062 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.403 -4.266 -6.803 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.552 -7.944 -4.869 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.845 -6.791 -7.120 1.00 0.00 H new ATOM 1421 N SER A 93 1.861 -3.405 -1.080 1.00 0.00 N ATOM 1422 CA SER A 93 1.289 -4.157 0.031 1.00 0.00 C ATOM 1423 C SER A 93 -0.191 -3.830 0.203 1.00 0.00 C ATOM 1424 O SER A 93 -1.048 -4.708 0.101 1.00 0.00 O ATOM 1425 CB SER A 93 2.045 -3.851 1.325 1.00 0.00 C ATOM 1426 OG SER A 93 3.206 -4.655 1.440 1.00 0.00 O ATOM 0 H SER A 93 2.482 -2.646 -0.800 1.00 0.00 H new ATOM 0 HA SER A 93 1.385 -5.219 -0.194 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.325 -2.798 1.346 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.393 -4.025 2.181 1.00 0.00 H new ATOM 0 HG SER A 93 3.976 -4.172 1.074 1.00 0.00 H new ATOM 1432 N TYR A 94 -0.483 -2.562 0.465 1.00 0.00 N ATOM 1433 CA TYR A 94 -1.859 -2.117 0.655 1.00 0.00 C ATOM 1434 C TYR A 94 -2.789 -2.780 -0.357 1.00 0.00 C ATOM 1435 O TYR A 94 -3.914 -3.161 -0.028 1.00 0.00 O ATOM 1436 CB TYR A 94 -1.948 -0.596 0.526 1.00 0.00 C ATOM 1437 CG TYR A 94 -3.292 -0.107 0.036 1.00 0.00 C ATOM 1438 CD1 TYR A 94 -4.318 0.176 0.930 1.00 0.00 C ATOM 1439 CD2 TYR A 94 -3.537 0.071 -1.320 1.00 0.00 C ATOM 1440 CE1 TYR A 94 -5.549 0.622 0.487 1.00 0.00 C ATOM 1441 CE2 TYR A 94 -4.764 0.518 -1.772 1.00 0.00 C ATOM 1442 CZ TYR A 94 -5.766 0.792 -0.865 1.00 0.00 C ATOM 1443 OH TYR A 94 -6.990 1.236 -1.311 1.00 0.00 O ATOM 0 H TYR A 94 0.215 -1.823 0.551 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.174 -2.408 1.657 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.738 -0.145 1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.174 -0.252 -0.160 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.150 0.045 1.989 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.755 -0.144 -2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.336 0.836 1.195 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.937 0.652 -2.830 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.404 1.799 -0.624 1.00 0.00 H new ATOM 1453 N LEU A 95 -2.313 -2.914 -1.590 1.00 0.00 N ATOM 1454 CA LEU A 95 -3.100 -3.531 -2.652 1.00 0.00 C ATOM 1455 C LEU A 95 -3.269 -5.026 -2.405 1.00 0.00 C ATOM 1456 O LEU A 95 -4.384 -5.511 -2.217 1.00 0.00 O ATOM 1457 CB LEU A 95 -2.433 -3.298 -4.009 1.00 0.00 C ATOM 1458 CG LEU A 95 -2.426 -1.855 -4.514 1.00 0.00 C ATOM 1459 CD1 LEU A 95 -1.318 -1.653 -5.536 1.00 0.00 C ATOM 1460 CD2 LEU A 95 -3.778 -1.492 -5.111 1.00 0.00 C ATOM 0 H LEU A 95 -1.385 -2.603 -1.879 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.087 -3.068 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.402 -3.646 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.936 -3.919 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.236 -1.195 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.328 -0.620 -5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.354 -1.871 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.476 -2.323 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.754 -0.461 -5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.998 -2.158 -5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.552 -1.597 -4.350 1.00 0.00 H new ATOM 1472 N GLU A 96 -2.155 -5.751 -2.406 1.00 0.00 N ATOM 1473 CA GLU A 96 -2.180 -7.191 -2.181 1.00 0.00 C ATOM 1474 C GLU A 96 -2.845 -7.522 -0.848 1.00 0.00 C ATOM 1475 O GLU A 96 -3.855 -8.225 -0.803 1.00 0.00 O ATOM 1476 CB GLU A 96 -0.760 -7.760 -2.211 1.00 0.00 C ATOM 1477 CG GLU A 96 -0.695 -9.250 -1.921 1.00 0.00 C ATOM 1478 CD GLU A 96 -0.901 -9.568 -0.452 1.00 0.00 C ATOM 1479 OE1 GLU A 96 -0.113 -9.068 0.378 1.00 0.00 O ATOM 1480 OE2 GLU A 96 -1.848 -10.317 -0.134 1.00 0.00 O ATOM 0 H GLU A 96 -1.224 -5.364 -2.560 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.763 -7.647 -2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.322 -7.570 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.149 -7.229 -1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.454 -9.765 -2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.273 -9.637 -2.240 1.00 0.00 H new ATOM 1487 N ARG A 97 -2.270 -7.011 0.236 1.00 0.00 N ATOM 1488 CA ARG A 97 -2.805 -7.253 1.570 1.00 0.00 C ATOM 1489 C ARG A 97 -4.326 -7.131 1.577 1.00 0.00 C ATOM 1490 O ARG A 97 -5.028 -8.014 2.070 1.00 0.00 O ATOM 1491 CB ARG A 97 -2.199 -6.268 2.572 1.00 0.00 C ATOM 1492 CG ARG A 97 -0.773 -6.608 2.974 1.00 0.00 C ATOM 1493 CD ARG A 97 -0.073 -5.415 3.605 1.00 0.00 C ATOM 1494 NE ARG A 97 -0.433 -5.248 5.010 1.00 0.00 N ATOM 1495 CZ ARG A 97 -0.024 -4.229 5.758 1.00 0.00 C ATOM 1496 NH1 ARG A 97 0.756 -3.292 5.237 1.00 0.00 N ATOM 1497 NH2 ARG A 97 -0.395 -4.147 7.029 1.00 0.00 N ATOM 0 H ARG A 97 -1.434 -6.427 0.216 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.538 -8.269 1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.217 -5.267 2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -2.823 -6.242 3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.781 -7.441 3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.215 -6.937 2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.006 -5.542 3.520 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.332 -4.510 3.055 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.032 -5.952 5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.043 -3.353 4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.069 -2.511 5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -0.995 -4.867 7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -0.081 -3.364 7.603 1.00 0.00 H new ATOM 1511 N HIS A 98 -4.828 -6.030 1.027 1.00 0.00 N ATOM 1512 CA HIS A 98 -6.266 -5.792 0.969 1.00 0.00 C ATOM 1513 C HIS A 98 -6.958 -6.847 0.111 1.00 0.00 C ATOM 1514 O HIS A 98 -8.019 -7.356 0.470 1.00 0.00 O ATOM 1515 CB HIS A 98 -6.552 -4.397 0.412 1.00 0.00 C ATOM 1516 CG HIS A 98 -6.306 -3.296 1.398 1.00 0.00 C ATOM 1517 ND1 HIS A 98 -7.145 -2.211 1.539 1.00 0.00 N ATOM 1518 CD2 HIS A 98 -5.308 -3.118 2.295 1.00 0.00 C ATOM 1519 CE1 HIS A 98 -6.673 -1.412 2.479 1.00 0.00 C ATOM 1520 NE2 HIS A 98 -5.559 -1.940 2.954 1.00 0.00 N ATOM 0 H HIS A 98 -4.261 -5.289 0.615 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.661 -5.858 1.983 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.930 -4.231 -0.468 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.590 -4.352 0.082 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.470 -3.779 2.461 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.121 -0.485 2.804 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.979 -1.538 3.691 1.00 0.00 H new ATOM 1529 N GLY A 99 -6.349 -7.170 -1.026 1.00 0.00 N ATOM 1530 CA GLY A 99 -6.921 -8.162 -1.918 1.00 0.00 C ATOM 1531 C GLY A 99 -7.330 -7.573 -3.253 1.00 0.00 C ATOM 1532 O GLY A 99 -8.293 -8.028 -3.872 1.00 0.00 O ATOM 0 H GLY A 99 -5.470 -6.763 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.196 -8.959 -2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.791 -8.615 -1.442 1.00 0.00 H new ATOM 1536 N LEU A 100 -6.598 -6.558 -3.699 1.00 0.00 N ATOM 1537 CA LEU A 100 -6.891 -5.904 -4.970 1.00 0.00 C ATOM 1538 C LEU A 100 -5.988 -6.437 -6.078 1.00 0.00 C ATOM 1539 O LEU A 100 -6.229 -6.194 -7.260 1.00 0.00 O ATOM 1540 CB LEU A 100 -6.717 -4.390 -4.840 1.00 0.00 C ATOM 1541 CG LEU A 100 -7.291 -3.756 -3.572 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -7.720 -2.321 -3.840 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -8.461 -4.575 -3.048 1.00 0.00 C ATOM 0 H LEU A 100 -5.798 -6.170 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.926 -6.123 -5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.652 -4.161 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.183 -3.915 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.512 -3.745 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.126 -1.886 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.859 -1.739 -4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.483 -2.309 -4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.856 -4.109 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.243 -4.619 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.123 -5.585 -2.816 1.00 0.00 H new ATOM 1555 N ILE A 101 -4.948 -7.167 -5.686 1.00 0.00 N ATOM 1556 CA ILE A 101 -4.011 -7.737 -6.646 1.00 0.00 C ATOM 1557 C ILE A 101 -3.567 -9.132 -6.219 1.00 0.00 C ATOM 1558 O ILE A 101 -3.400 -9.404 -5.031 1.00 0.00 O ATOM 1559 CB ILE A 101 -2.767 -6.845 -6.818 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -2.040 -6.684 -5.481 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -3.163 -5.487 -7.378 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -0.553 -6.446 -5.627 1.00 0.00 C ATOM 0 H ILE A 101 -4.734 -7.377 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.536 -7.801 -7.599 1.00 0.00 H new ATOM 0 HB ILE A 101 -2.089 -7.324 -7.524 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.481 -5.850 -4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.199 -7.579 -4.880 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.273 -4.868 -7.494 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.642 -5.619 -8.348 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.858 -5.000 -6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.103 -6.341 -4.640 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.099 -7.290 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.385 -5.535 -6.201 1.00 0.00 H new ATOM 1574 N ASN A 102 -3.375 -10.011 -7.197 1.00 0.00 N ATOM 1575 CA ASN A 102 -2.949 -11.379 -6.922 1.00 0.00 C ATOM 1576 C ASN A 102 -4.022 -12.138 -6.148 1.00 0.00 C ATOM 1577 O ASN A 102 -3.759 -12.690 -5.079 1.00 0.00 O ATOM 1578 CB ASN A 102 -1.639 -11.377 -6.131 1.00 0.00 C ATOM 1579 CG ASN A 102 -0.577 -10.505 -6.773 1.00 0.00 C ATOM 1580 OD1 ASN A 102 -0.868 -9.710 -7.667 1.00 0.00 O ATOM 1581 ND2 ASN A 102 0.662 -10.651 -6.318 1.00 0.00 N ATOM 0 H ASN A 102 -3.507 -9.801 -8.186 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.790 -11.883 -7.876 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.830 -11.025 -5.117 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.266 -12.398 -6.049 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.419 -10.092 -6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 102 0.857 -11.323 -5.575 1.00 0.00 H new ATOM 1588 N PHE A 103 -5.233 -12.163 -6.696 1.00 0.00 N ATOM 1589 CA PHE A 103 -6.347 -12.854 -6.057 1.00 0.00 C ATOM 1590 C PHE A 103 -6.938 -13.908 -6.988 1.00 0.00 C ATOM 1591 O PHE A 103 -8.059 -14.372 -6.786 1.00 0.00 O ATOM 1592 CB PHE A 103 -7.430 -11.853 -5.649 1.00 0.00 C ATOM 1593 CG PHE A 103 -7.826 -10.915 -6.754 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -8.341 -11.404 -7.944 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -7.682 -9.545 -6.602 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -8.707 -10.543 -8.962 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -8.047 -8.680 -7.617 1.00 0.00 C ATOM 1598 CZ PHE A 103 -8.559 -9.180 -8.799 1.00 0.00 C ATOM 0 H PHE A 103 -5.468 -11.713 -7.581 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.969 -13.353 -5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.311 -12.400 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -7.074 -11.271 -4.799 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.458 -12.469 -8.078 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.280 -9.149 -5.681 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.108 -10.936 -9.884 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.932 -7.614 -7.486 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.843 -8.506 -9.594 1.00 0.00 H new ATOM 1608 N GLY A 104 -6.174 -14.282 -8.010 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.638 -15.278 -8.958 1.00 0.00 C ATOM 1610 C GLY A 104 -5.524 -15.800 -9.844 1.00 0.00 C ATOM 1611 O GLY A 104 -5.667 -15.854 -11.065 1.00 0.00 O ATOM 0 H GLY A 104 -5.242 -13.913 -8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.086 -16.110 -8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -7.421 -14.845 -9.581 1.00 0.00 H new ATOM 1615 N ILE A 105 -4.410 -16.182 -9.227 1.00 0.00 N ATOM 1616 CA ILE A 105 -3.267 -16.701 -9.968 1.00 0.00 C ATOM 1617 C ILE A 105 -2.754 -17.997 -9.350 1.00 0.00 C ATOM 1618 O ILE A 105 -2.353 -18.920 -10.061 1.00 0.00 O ATOM 1619 CB ILE A 105 -2.117 -15.678 -10.018 1.00 0.00 C ATOM 1620 CG1 ILE A 105 -1.655 -15.329 -8.602 1.00 0.00 C ATOM 1621 CG2 ILE A 105 -2.554 -14.425 -10.762 1.00 0.00 C ATOM 1622 CD1 ILE A 105 -2.674 -14.540 -7.810 1.00 0.00 C ATOM 0 H ILE A 105 -4.275 -16.142 -8.217 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.612 -16.897 -10.983 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.279 -16.122 -10.555 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.425 -16.250 -8.066 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.730 -14.755 -8.662 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.730 -13.712 -10.789 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.840 -14.688 -11.781 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.406 -13.977 -10.251 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.278 -14.328 -6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.887 -13.602 -8.323 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.592 -15.120 -7.719 1.00 0.00 H new