USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 519 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 49 THR OG1 : rot 101:sc= 0.118 USER MOD Set 1.2: A 51 HIS : no HE2:sc= -4.15! K(o=-4!,f=-2.6) USER MOD Set 2.1: A 25 ASN : amide:sc= -9.68! C(o=-21!,f=-22!) USER MOD Set 2.2: A 69 GLN : amide:sc= -11.2! C(o=-21!,f=-18!) USER MOD Set 3.1: A 19 ASN : amide:sc= -0.339 K(o=-1.5,f=-2.3) USER MOD Set 3.2: A 22 GLN : amide:sc= -1.16 K(o=-1.5,f=-2.7) USER MOD Single : A 11 GLN : amide:sc= -0.707 K(o=-0.71,f=-0.14) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.062) USER MOD Single : A 32 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.4) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 41:sc= 0.508 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -74:sc= -0.756! USER MOD Single : A 58 ASN : amide:sc= -3.37! C(o=-3.4!,f=-7!) USER MOD Single : A 60 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.32) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -13:sc= -1.59 USER MOD Single : A 73 TYR OH : rot -74:sc= 0.798 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ASP A 10 6.972 -5.886 5.440 1.00 0.00 N ATOM 145 CA ASP A 10 5.876 -5.251 4.728 1.00 0.00 C ATOM 146 C ASP A 10 5.608 -3.873 5.337 1.00 0.00 C ATOM 147 O ASP A 10 6.328 -3.435 6.232 1.00 0.00 O ATOM 148 CB ASP A 10 4.593 -6.076 4.841 1.00 0.00 C ATOM 149 CG ASP A 10 4.462 -6.892 6.128 1.00 0.00 C ATOM 150 OD1 ASP A 10 4.503 -6.262 7.206 1.00 0.00 O ATOM 151 OD2 ASP A 10 4.322 -8.128 6.005 1.00 0.00 O ATOM 0 HA ASP A 10 6.159 -5.168 3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.738 -5.404 4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.539 -6.756 3.990 1.00 0.00 H new ATOM 156 N GLN A 11 4.569 -3.228 4.827 1.00 0.00 N ATOM 157 CA GLN A 11 4.196 -1.909 5.309 1.00 0.00 C ATOM 158 C GLN A 11 2.856 -1.483 4.708 1.00 0.00 C ATOM 159 O GLN A 11 2.640 -1.621 3.504 1.00 0.00 O ATOM 160 CB GLN A 11 5.288 -0.883 4.998 1.00 0.00 C ATOM 161 CG GLN A 11 5.191 0.320 5.938 1.00 0.00 C ATOM 162 CD GLN A 11 6.010 1.498 5.405 1.00 0.00 C ATOM 163 OE1 GLN A 11 5.565 2.270 4.570 1.00 0.00 O ATOM 164 NE2 GLN A 11 7.228 1.594 5.932 1.00 0.00 N ATOM 0 H GLN A 11 3.974 -3.595 4.084 1.00 0.00 H new ATOM 0 HA GLN A 11 4.086 -1.957 6.392 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.269 -1.349 5.097 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.196 -0.550 3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.148 0.617 6.048 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.549 0.042 6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.538 0.914 6.627 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.852 2.347 5.641 1.00 0.00 H new ATOM 173 N VAL A 12 1.990 -0.975 5.572 1.00 0.00 N ATOM 174 CA VAL A 12 0.677 -0.527 5.140 1.00 0.00 C ATOM 175 C VAL A 12 0.737 0.964 4.801 1.00 0.00 C ATOM 176 O VAL A 12 1.712 1.639 5.124 1.00 0.00 O ATOM 177 CB VAL A 12 -0.365 -0.855 6.213 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.730 -1.139 5.581 1.00 0.00 C ATOM 179 CG2 VAL A 12 0.092 -2.028 7.081 1.00 0.00 C ATOM 0 H VAL A 12 2.172 -0.864 6.569 1.00 0.00 H new ATOM 0 HA VAL A 12 0.371 -1.053 4.236 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.469 0.017 6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.453 -1.369 6.364 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.063 -0.262 5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.647 -1.988 4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.666 -2.240 7.835 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.238 -2.909 6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.031 -1.773 7.573 1.00 0.00 H new ATOM 189 N LEU A 13 -0.319 1.432 4.153 1.00 0.00 N ATOM 190 CA LEU A 13 -0.399 2.831 3.765 1.00 0.00 C ATOM 191 C LEU A 13 -1.868 3.230 3.615 1.00 0.00 C ATOM 192 O LEU A 13 -2.690 2.433 3.165 1.00 0.00 O ATOM 193 CB LEU A 13 0.439 3.088 2.511 1.00 0.00 C ATOM 194 CG LEU A 13 -0.254 2.818 1.174 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.610 4.128 0.467 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.596 1.903 0.290 1.00 0.00 C ATOM 0 H LEU A 13 -1.126 0.868 3.887 1.00 0.00 H new ATOM 0 HA LEU A 13 0.027 3.467 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.767 4.127 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.335 2.470 2.564 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.189 2.295 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.101 3.908 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.282 4.711 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.299 4.699 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.080 1.727 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.558 2.377 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.756 0.952 0.798 1.00 0.00 H new ATOM 208 N GLU A 14 -2.155 4.465 4.002 1.00 0.00 N ATOM 209 CA GLU A 14 -3.511 4.980 3.915 1.00 0.00 C ATOM 210 C GLU A 14 -3.680 5.823 2.650 1.00 0.00 C ATOM 211 O GLU A 14 -2.972 6.812 2.459 1.00 0.00 O ATOM 212 CB GLU A 14 -3.871 5.788 5.165 1.00 0.00 C ATOM 213 CG GLU A 14 -3.169 5.225 6.402 1.00 0.00 C ATOM 214 CD GLU A 14 -2.002 6.118 6.825 1.00 0.00 C ATOM 215 OE1 GLU A 14 -2.261 7.064 7.599 1.00 0.00 O ATOM 216 OE2 GLU A 14 -0.875 5.835 6.363 1.00 0.00 O ATOM 0 H GLU A 14 -1.472 5.123 4.376 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.197 4.135 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.586 6.830 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.950 5.771 5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.882 5.140 7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.804 4.220 6.191 1.00 0.00 H new ATOM 223 N ILE A 15 -4.621 5.402 1.818 1.00 0.00 N ATOM 224 CA ILE A 15 -4.891 6.106 0.576 1.00 0.00 C ATOM 225 C ILE A 15 -6.246 6.809 0.677 1.00 0.00 C ATOM 226 O ILE A 15 -7.186 6.273 1.264 1.00 0.00 O ATOM 227 CB ILE A 15 -4.780 5.153 -0.615 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.460 4.382 -0.580 1.00 0.00 C ATOM 229 CG2 ILE A 15 -4.972 5.901 -1.936 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.620 2.990 -1.196 1.00 0.00 C ATOM 0 H ILE A 15 -5.206 4.582 1.980 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.142 6.880 0.406 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.583 4.420 -0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.696 4.938 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.116 4.290 0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.888 5.200 -2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.958 6.365 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.207 6.671 -2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.666 2.464 -1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.367 2.428 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.941 3.086 -2.233 1.00 0.00 H new ATOM 242 N VAL A 16 -6.305 7.999 0.098 1.00 0.00 N ATOM 243 CA VAL A 16 -7.529 8.781 0.116 1.00 0.00 C ATOM 244 C VAL A 16 -7.941 9.108 -1.320 1.00 0.00 C ATOM 245 O VAL A 16 -7.479 10.094 -1.893 1.00 0.00 O ATOM 246 CB VAL A 16 -7.341 10.027 0.983 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.608 10.886 0.991 1.00 0.00 C ATOM 248 CG2 VAL A 16 -6.927 9.648 2.406 1.00 0.00 C ATOM 0 H VAL A 16 -5.524 8.441 -0.387 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.341 8.209 0.565 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.537 10.620 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.447 11.765 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.841 11.200 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.439 10.305 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.800 10.552 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.699 9.023 2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.986 9.098 2.377 1.00 0.00 H new ATOM 258 N PRO A 17 -8.828 8.240 -1.877 1.00 0.00 N ATOM 259 CA PRO A 17 -9.308 8.428 -3.235 1.00 0.00 C ATOM 260 C PRO A 17 -10.326 9.567 -3.305 1.00 0.00 C ATOM 261 O PRO A 17 -10.561 10.257 -2.314 1.00 0.00 O ATOM 262 CB PRO A 17 -9.892 7.082 -3.635 1.00 0.00 C ATOM 263 CG PRO A 17 -10.139 6.333 -2.336 1.00 0.00 C ATOM 264 CD PRO A 17 -9.397 7.062 -1.228 1.00 0.00 C ATOM 0 HA PRO A 17 -8.517 8.725 -3.924 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.819 7.209 -4.195 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.204 6.533 -4.278 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.206 6.291 -2.117 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.789 5.304 -2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.070 7.342 -0.418 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.619 6.435 -0.793 1.00 0.00 H new ATOM 272 N SER A 18 -10.905 9.729 -4.486 1.00 0.00 N ATOM 273 CA SER A 18 -11.892 10.773 -4.699 1.00 0.00 C ATOM 274 C SER A 18 -12.408 10.721 -6.138 1.00 0.00 C ATOM 275 O SER A 18 -13.590 10.954 -6.387 1.00 0.00 O ATOM 276 CB SER A 18 -11.309 12.154 -4.393 1.00 0.00 C ATOM 277 OG SER A 18 -12.324 13.108 -4.091 1.00 0.00 O ATOM 0 H SER A 18 -10.709 9.154 -5.305 1.00 0.00 H new ATOM 0 HA SER A 18 -12.724 10.601 -4.016 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.621 12.078 -3.551 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.729 12.500 -5.249 1.00 0.00 H new ATOM 0 HG SER A 18 -11.911 13.976 -3.900 1.00 0.00 H new ATOM 283 N ASN A 19 -11.495 10.413 -7.049 1.00 0.00 N ATOM 284 CA ASN A 19 -11.843 10.328 -8.457 1.00 0.00 C ATOM 285 C ASN A 19 -11.839 8.860 -8.891 1.00 0.00 C ATOM 286 O ASN A 19 -11.089 8.051 -8.347 1.00 0.00 O ATOM 287 CB ASN A 19 -10.828 11.079 -9.322 1.00 0.00 C ATOM 288 CG ASN A 19 -10.918 12.588 -9.087 1.00 0.00 C ATOM 289 OD1 ASN A 19 -11.780 13.082 -8.377 1.00 0.00 O ATOM 290 ND2 ASN A 19 -9.984 13.291 -9.721 1.00 0.00 N ATOM 0 H ASN A 19 -10.516 10.220 -6.839 1.00 0.00 H new ATOM 0 HA ASN A 19 -12.829 10.774 -8.588 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.821 10.731 -9.092 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.009 10.860 -10.374 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.960 14.307 -9.629 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.292 12.815 -10.300 1.00 0.00 H new ATOM 297 N GLU A 20 -12.686 8.563 -9.865 1.00 0.00 N ATOM 298 CA GLU A 20 -12.790 7.207 -10.377 1.00 0.00 C ATOM 299 C GLU A 20 -11.485 6.798 -11.064 1.00 0.00 C ATOM 300 O GLU A 20 -11.048 5.654 -10.944 1.00 0.00 O ATOM 301 CB GLU A 20 -13.978 7.072 -11.331 1.00 0.00 C ATOM 302 CG GLU A 20 -15.303 7.144 -10.571 1.00 0.00 C ATOM 303 CD GLU A 20 -16.294 8.068 -11.282 1.00 0.00 C ATOM 304 OE1 GLU A 20 -16.170 8.187 -12.520 1.00 0.00 O ATOM 305 OE2 GLU A 20 -17.153 8.635 -10.572 1.00 0.00 O ATOM 0 H GLU A 20 -13.306 9.237 -10.313 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.962 6.534 -9.537 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.940 7.864 -12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.913 6.125 -11.867 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.731 6.145 -10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.126 7.505 -9.558 1.00 0.00 H new ATOM 312 N GLU A 21 -10.901 7.754 -11.770 1.00 0.00 N ATOM 313 CA GLU A 21 -9.655 7.509 -12.477 1.00 0.00 C ATOM 314 C GLU A 21 -8.554 7.115 -11.490 1.00 0.00 C ATOM 315 O GLU A 21 -7.799 6.177 -11.739 1.00 0.00 O ATOM 316 CB GLU A 21 -9.242 8.729 -13.302 1.00 0.00 C ATOM 317 CG GLU A 21 -7.750 8.684 -13.638 1.00 0.00 C ATOM 318 CD GLU A 21 -7.384 7.373 -14.335 1.00 0.00 C ATOM 319 OE1 GLU A 21 -8.206 6.920 -15.162 1.00 0.00 O ATOM 320 OE2 GLU A 21 -6.291 6.850 -14.026 1.00 0.00 O ATOM 0 H GLU A 21 -11.268 8.701 -11.868 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.809 6.681 -13.169 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.825 8.764 -14.222 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.466 9.640 -12.748 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.493 9.526 -14.281 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.165 8.790 -12.725 1.00 0.00 H new ATOM 327 N GLN A 22 -8.498 7.854 -10.391 1.00 0.00 N ATOM 328 CA GLN A 22 -7.501 7.594 -9.366 1.00 0.00 C ATOM 329 C GLN A 22 -7.750 6.231 -8.717 1.00 0.00 C ATOM 330 O GLN A 22 -6.810 5.485 -8.452 1.00 0.00 O ATOM 331 CB GLN A 22 -7.491 8.707 -8.316 1.00 0.00 C ATOM 332 CG GLN A 22 -6.520 9.823 -8.710 1.00 0.00 C ATOM 333 CD GLN A 22 -7.262 10.992 -9.360 1.00 0.00 C ATOM 334 OE1 GLN A 22 -7.740 10.912 -10.480 1.00 0.00 O ATOM 335 NE2 GLN A 22 -7.329 12.080 -8.599 1.00 0.00 N ATOM 0 H GLN A 22 -9.126 8.632 -10.188 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.519 7.576 -9.838 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.495 9.116 -8.205 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.205 8.296 -7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.985 10.173 -7.827 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.773 9.433 -9.401 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.907 12.080 -7.670 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.802 12.915 -8.944 1.00 0.00 H new ATOM 344 N ILE A 23 -9.023 5.949 -8.478 1.00 0.00 N ATOM 345 CA ILE A 23 -9.407 4.690 -7.864 1.00 0.00 C ATOM 346 C ILE A 23 -9.225 3.558 -8.877 1.00 0.00 C ATOM 347 O ILE A 23 -8.865 2.441 -8.507 1.00 0.00 O ATOM 348 CB ILE A 23 -10.824 4.782 -7.294 1.00 0.00 C ATOM 349 CG1 ILE A 23 -10.819 5.449 -5.917 1.00 0.00 C ATOM 350 CG2 ILE A 23 -11.494 3.406 -7.262 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.227 5.486 -5.320 1.00 0.00 C ATOM 0 H ILE A 23 -9.801 6.571 -8.699 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.760 4.467 -7.015 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.417 5.413 -7.956 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.151 4.906 -5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.429 6.463 -6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.500 3.500 -6.853 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.550 3.005 -8.274 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.910 2.731 -6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.195 5.965 -4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.887 6.050 -5.979 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.604 4.469 -5.214 1.00 0.00 H new ATOM 363 N LYS A 24 -9.483 3.884 -10.135 1.00 0.00 N ATOM 364 CA LYS A 24 -9.352 2.909 -11.204 1.00 0.00 C ATOM 365 C LYS A 24 -7.884 2.499 -11.336 1.00 0.00 C ATOM 366 O LYS A 24 -7.580 1.430 -11.865 1.00 0.00 O ATOM 367 CB LYS A 24 -9.959 3.449 -12.500 1.00 0.00 C ATOM 368 CG LYS A 24 -9.305 2.802 -13.723 1.00 0.00 C ATOM 369 CD LYS A 24 -10.174 2.983 -14.969 1.00 0.00 C ATOM 370 CE LYS A 24 -10.555 1.631 -15.573 1.00 0.00 C ATOM 371 NZ LYS A 24 -9.437 1.088 -16.376 1.00 0.00 N ATOM 0 H LYS A 24 -9.782 4.811 -10.438 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.916 2.007 -10.968 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.032 3.255 -12.512 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.830 4.530 -12.543 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.324 3.245 -13.892 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.147 1.740 -13.536 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.076 3.537 -14.710 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.637 3.577 -15.708 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.813 0.931 -14.778 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.440 1.742 -16.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.713 0.170 -16.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.209 1.749 -17.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.602 0.963 -15.769 1.00 0.00 H new ATOM 385 N ASN A 25 -7.013 3.369 -10.847 1.00 0.00 N ATOM 386 CA ASN A 25 -5.584 3.109 -10.904 1.00 0.00 C ATOM 387 C ASN A 25 -5.245 1.939 -9.980 1.00 0.00 C ATOM 388 O ASN A 25 -4.569 0.996 -10.389 1.00 0.00 O ATOM 389 CB ASN A 25 -4.785 4.327 -10.436 1.00 0.00 C ATOM 390 CG ASN A 25 -3.408 4.368 -11.101 1.00 0.00 C ATOM 391 OD1 ASN A 25 -2.388 4.087 -10.493 1.00 0.00 O ATOM 392 ND2 ASN A 25 -3.434 4.731 -12.381 1.00 0.00 N ATOM 0 H ASN A 25 -7.269 4.254 -10.410 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.324 2.881 -11.938 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.334 5.239 -10.672 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.669 4.296 -9.353 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.565 4.787 -12.913 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.322 4.953 -12.830 1.00 0.00 H new ATOM 399 N LEU A 26 -5.729 2.036 -8.751 1.00 0.00 N ATOM 400 CA LEU A 26 -5.486 0.997 -7.765 1.00 0.00 C ATOM 401 C LEU A 26 -5.974 -0.345 -8.314 1.00 0.00 C ATOM 402 O LEU A 26 -5.193 -1.286 -8.448 1.00 0.00 O ATOM 403 CB LEU A 26 -6.112 1.375 -6.421 1.00 0.00 C ATOM 404 CG LEU A 26 -5.389 0.859 -5.176 1.00 0.00 C ATOM 405 CD1 LEU A 26 -4.360 1.876 -4.678 1.00 0.00 C ATOM 406 CD2 LEU A 26 -6.388 0.473 -4.083 1.00 0.00 C ATOM 0 H LEU A 26 -6.289 2.819 -8.415 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.417 0.896 -7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.166 2.462 -6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.136 1.003 -6.402 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.843 -0.044 -5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.860 1.484 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.622 2.060 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.863 2.810 -4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.848 0.109 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.980 1.345 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.048 -0.311 -4.454 1.00 0.00 H new ATOM 418 N LEU A 27 -7.263 -0.390 -8.619 1.00 0.00 N ATOM 419 CA LEU A 27 -7.863 -1.602 -9.151 1.00 0.00 C ATOM 420 C LEU A 27 -6.928 -2.214 -10.195 1.00 0.00 C ATOM 421 O LEU A 27 -6.612 -3.401 -10.131 1.00 0.00 O ATOM 422 CB LEU A 27 -9.271 -1.314 -9.680 1.00 0.00 C ATOM 423 CG LEU A 27 -10.411 -1.478 -8.673 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.209 -0.179 -8.534 1.00 0.00 C ATOM 425 CD2 LEU A 27 -11.305 -2.662 -9.045 1.00 0.00 C ATOM 0 H LEU A 27 -7.908 0.392 -8.508 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.988 -2.343 -8.362 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.293 -0.293 -10.061 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.462 -1.974 -10.526 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.977 -1.697 -7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.014 -0.322 -7.813 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.550 0.618 -8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.633 0.093 -9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.107 -2.756 -8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.733 -2.498 -10.034 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.712 -3.577 -9.054 1.00 0.00 H new ATOM 437 N GLN A 28 -6.510 -1.376 -11.133 1.00 0.00 N ATOM 438 CA GLN A 28 -5.617 -1.821 -12.189 1.00 0.00 C ATOM 439 C GLN A 28 -4.345 -2.425 -11.590 1.00 0.00 C ATOM 440 O GLN A 28 -3.822 -3.413 -12.102 1.00 0.00 O ATOM 441 CB GLN A 28 -5.281 -0.672 -13.142 1.00 0.00 C ATOM 442 CG GLN A 28 -5.057 -1.189 -14.565 1.00 0.00 C ATOM 443 CD GLN A 28 -3.645 -0.855 -15.053 1.00 0.00 C ATOM 444 OE1 GLN A 28 -3.195 0.277 -15.003 1.00 0.00 O ATOM 445 NE2 GLN A 28 -2.976 -1.902 -15.526 1.00 0.00 N ATOM 0 H GLN A 28 -6.773 -0.392 -11.183 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.125 -2.593 -12.766 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.092 0.057 -13.139 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.387 -0.155 -12.794 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.209 -2.268 -14.592 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.792 -0.746 -15.237 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.413 -2.823 -15.539 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.025 -1.784 -15.876 1.00 0.00 H new ATOM 454 N LEU A 29 -3.884 -1.805 -10.512 1.00 0.00 N ATOM 455 CA LEU A 29 -2.684 -2.270 -9.838 1.00 0.00 C ATOM 456 C LEU A 29 -2.948 -3.649 -9.229 1.00 0.00 C ATOM 457 O LEU A 29 -2.311 -4.630 -9.609 1.00 0.00 O ATOM 458 CB LEU A 29 -2.204 -1.231 -8.822 1.00 0.00 C ATOM 459 CG LEU A 29 -1.260 -1.743 -7.733 1.00 0.00 C ATOM 460 CD1 LEU A 29 0.118 -2.071 -8.313 1.00 0.00 C ATOM 461 CD2 LEU A 29 -1.171 -0.751 -6.573 1.00 0.00 C ATOM 0 H LEU A 29 -4.320 -0.985 -10.090 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.868 -2.387 -10.551 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.702 -0.429 -9.363 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.078 -0.792 -8.340 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.671 -2.670 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.770 -2.433 -7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.017 -2.841 -9.078 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.549 -1.173 -8.756 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.493 -1.140 -5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.796 0.204 -6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.161 -0.609 -6.139 1.00 0.00 H new ATOM 473 N GLU A 30 -3.887 -3.678 -8.295 1.00 0.00 N ATOM 474 CA GLU A 30 -4.242 -4.920 -7.630 1.00 0.00 C ATOM 475 C GLU A 30 -4.487 -6.023 -8.662 1.00 0.00 C ATOM 476 O GLU A 30 -4.185 -7.189 -8.413 1.00 0.00 O ATOM 477 CB GLU A 30 -5.465 -4.730 -6.730 1.00 0.00 C ATOM 478 CG GLU A 30 -5.417 -5.682 -5.534 1.00 0.00 C ATOM 479 CD GLU A 30 -6.760 -6.393 -5.345 1.00 0.00 C ATOM 480 OE1 GLU A 30 -7.237 -6.978 -6.341 1.00 0.00 O ATOM 481 OE2 GLU A 30 -7.278 -6.334 -4.209 1.00 0.00 O ATOM 0 H GLU A 30 -4.413 -2.862 -7.983 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.408 -5.221 -6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.505 -3.699 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.375 -4.907 -7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.629 -6.420 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.166 -5.125 -4.631 1.00 0.00 H new ATOM 488 N ALA A 31 -5.033 -5.616 -9.799 1.00 0.00 N ATOM 489 CA ALA A 31 -5.322 -6.555 -10.869 1.00 0.00 C ATOM 490 C ALA A 31 -4.051 -7.329 -11.220 1.00 0.00 C ATOM 491 O ALA A 31 -4.077 -8.552 -11.341 1.00 0.00 O ATOM 492 CB ALA A 31 -5.895 -5.799 -12.070 1.00 0.00 C ATOM 0 H ALA A 31 -5.283 -4.648 -10.002 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.072 -7.280 -10.552 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.112 -6.503 -12.873 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.813 -5.290 -11.775 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.169 -5.064 -12.418 1.00 0.00 H new ATOM 498 N GLN A 32 -2.966 -6.583 -11.374 1.00 0.00 N ATOM 499 CA GLN A 32 -1.686 -7.185 -11.708 1.00 0.00 C ATOM 500 C GLN A 32 -1.365 -8.324 -10.739 1.00 0.00 C ATOM 501 O GLN A 32 -0.942 -8.081 -9.609 1.00 0.00 O ATOM 502 CB GLN A 32 -0.572 -6.136 -11.711 1.00 0.00 C ATOM 503 CG GLN A 32 -0.494 -5.422 -13.062 1.00 0.00 C ATOM 504 CD GLN A 32 0.010 -6.367 -14.154 1.00 0.00 C ATOM 505 OE1 GLN A 32 -0.748 -6.908 -14.942 1.00 0.00 O ATOM 506 NE2 GLN A 32 1.330 -6.534 -14.158 1.00 0.00 N ATOM 0 H GLN A 32 -2.947 -5.568 -11.274 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.753 -7.600 -12.714 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.752 -5.407 -10.921 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.383 -6.614 -11.493 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.478 -5.040 -13.333 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.171 -4.562 -12.985 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.907 -6.051 -13.470 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.765 -7.145 -14.849 1.00 0.00 H new ATOM 584 N LEU A 37 -2.084 -7.420 -4.507 1.00 0.00 N ATOM 585 CA LEU A 37 -2.249 -6.755 -3.225 1.00 0.00 C ATOM 586 C LEU A 37 -3.671 -6.991 -2.713 1.00 0.00 C ATOM 587 O LEU A 37 -4.544 -7.419 -3.467 1.00 0.00 O ATOM 588 CB LEU A 37 -1.873 -5.276 -3.338 1.00 0.00 C ATOM 589 CG LEU A 37 -0.723 -4.946 -4.290 1.00 0.00 C ATOM 590 CD1 LEU A 37 -1.175 -3.972 -5.379 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.493 -4.424 -3.522 1.00 0.00 C ATOM 0 HA LEU A 37 -1.569 -7.178 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.755 -4.721 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.612 -4.911 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.418 -5.866 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.338 -3.754 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.986 -4.419 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.523 -3.047 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.296 -4.197 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.219 -3.520 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.831 -5.183 -2.816 1.00 0.00 H new ATOM 603 N ASP A 38 -3.861 -6.700 -1.434 1.00 0.00 N ATOM 604 CA ASP A 38 -5.162 -6.874 -0.812 1.00 0.00 C ATOM 605 C ASP A 38 -5.537 -5.598 -0.056 1.00 0.00 C ATOM 606 O ASP A 38 -4.884 -5.238 0.922 1.00 0.00 O ATOM 607 CB ASP A 38 -5.142 -8.030 0.191 1.00 0.00 C ATOM 608 CG ASP A 38 -6.474 -8.765 0.357 1.00 0.00 C ATOM 609 OD1 ASP A 38 -7.138 -8.978 -0.680 1.00 0.00 O ATOM 610 OD2 ASP A 38 -6.798 -9.098 1.518 1.00 0.00 O ATOM 0 H ASP A 38 -3.135 -6.345 -0.812 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.885 -7.090 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.384 -8.749 -0.121 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.834 -7.643 1.162 1.00 0.00 H new ATOM 615 N PHE A 39 -6.588 -4.950 -0.537 1.00 0.00 N ATOM 616 CA PHE A 39 -7.058 -3.722 0.081 1.00 0.00 C ATOM 617 C PHE A 39 -8.020 -4.021 1.232 1.00 0.00 C ATOM 618 O PHE A 39 -8.997 -4.746 1.055 1.00 0.00 O ATOM 619 CB PHE A 39 -7.801 -2.934 -0.998 1.00 0.00 C ATOM 620 CG PHE A 39 -6.977 -2.680 -2.262 1.00 0.00 C ATOM 621 CD1 PHE A 39 -5.708 -2.202 -2.162 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.514 -2.932 -3.486 1.00 0.00 C ATOM 623 CE1 PHE A 39 -4.942 -1.966 -3.335 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.749 -2.696 -4.659 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.479 -2.219 -4.559 1.00 0.00 C ATOM 0 H PHE A 39 -7.127 -5.253 -1.348 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.214 -3.162 0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.707 -3.476 -1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.115 -1.976 -0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.282 -2.002 -1.190 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.522 -3.311 -3.566 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.934 -1.586 -3.255 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.176 -2.895 -5.631 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.897 -2.041 -5.451 1.00 0.00 H new ATOM 635 N TRP A 40 -7.709 -3.447 2.386 1.00 0.00 N ATOM 636 CA TRP A 40 -8.535 -3.643 3.565 1.00 0.00 C ATOM 637 C TRP A 40 -9.932 -3.097 3.260 1.00 0.00 C ATOM 638 O TRP A 40 -10.888 -3.862 3.140 1.00 0.00 O ATOM 639 CB TRP A 40 -7.896 -2.996 4.795 1.00 0.00 C ATOM 640 CG TRP A 40 -6.615 -3.688 5.268 1.00 0.00 C ATOM 641 CD1 TRP A 40 -5.905 -4.631 4.633 1.00 0.00 C ATOM 642 CD2 TRP A 40 -5.918 -3.452 6.508 1.00 0.00 C ATOM 643 NE1 TRP A 40 -4.805 -5.019 5.372 1.00 0.00 N ATOM 644 CE2 TRP A 40 -4.814 -4.279 6.549 1.00 0.00 C ATOM 645 CE3 TRP A 40 -6.211 -2.569 7.563 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -3.913 -4.304 7.621 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -5.301 -2.606 8.627 1.00 0.00 C ATOM 648 CH2 TRP A 40 -4.185 -3.432 8.682 1.00 0.00 C ATOM 0 H TRP A 40 -6.897 -2.847 2.529 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.620 -4.703 3.805 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.671 -1.954 4.569 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.619 -2.997 5.610 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.161 -5.036 3.665 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.113 -5.719 5.104 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.070 -1.914 7.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.055 -4.960 7.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.479 -1.946 9.463 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.530 -3.401 9.540 1.00 0.00 H new ATOM 659 N LYS A 41 -10.005 -1.780 3.145 1.00 0.00 N ATOM 660 CA LYS A 41 -11.269 -1.123 2.856 1.00 0.00 C ATOM 661 C LYS A 41 -11.428 -0.976 1.342 1.00 0.00 C ATOM 662 O LYS A 41 -10.740 -0.170 0.717 1.00 0.00 O ATOM 663 CB LYS A 41 -11.370 0.200 3.617 1.00 0.00 C ATOM 664 CG LYS A 41 -12.827 0.531 3.950 1.00 0.00 C ATOM 665 CD LYS A 41 -12.916 1.765 4.850 1.00 0.00 C ATOM 666 CE LYS A 41 -14.372 2.184 5.061 1.00 0.00 C ATOM 667 NZ LYS A 41 -14.452 3.613 5.437 1.00 0.00 N ATOM 0 H LYS A 41 -9.210 -1.149 3.247 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.104 -1.730 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.788 0.140 4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.939 1.002 3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.383 0.707 3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.293 -0.320 4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.452 1.552 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.358 2.587 4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.942 2.010 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.823 1.571 5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.447 3.880 5.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.925 3.770 6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.040 4.195 4.680 1.00 0.00 H new ATOM 681 N SER A 42 -12.340 -1.766 0.795 1.00 0.00 N ATOM 682 CA SER A 42 -12.598 -1.734 -0.634 1.00 0.00 C ATOM 683 C SER A 42 -12.561 -0.291 -1.140 1.00 0.00 C ATOM 684 O SER A 42 -13.532 0.449 -0.989 1.00 0.00 O ATOM 685 CB SER A 42 -13.946 -2.378 -0.965 1.00 0.00 C ATOM 686 OG SER A 42 -15.017 -1.776 -0.242 1.00 0.00 O ATOM 0 H SER A 42 -12.910 -2.432 1.316 1.00 0.00 H new ATOM 0 HA SER A 42 -11.819 -2.308 -1.135 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.137 -2.291 -2.035 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.906 -3.442 -0.734 1.00 0.00 H new ATOM 0 HG SER A 42 -14.891 -0.804 -0.219 1.00 0.00 H new ATOM 692 N PRO A 43 -11.400 0.076 -1.747 1.00 0.00 N ATOM 693 CA PRO A 43 -11.224 1.417 -2.276 1.00 0.00 C ATOM 694 C PRO A 43 -12.002 1.599 -3.580 1.00 0.00 C ATOM 695 O PRO A 43 -11.935 2.657 -4.204 1.00 0.00 O ATOM 696 CB PRO A 43 -9.722 1.576 -2.453 1.00 0.00 C ATOM 697 CG PRO A 43 -9.152 0.168 -2.457 1.00 0.00 C ATOM 698 CD PRO A 43 -10.229 -0.774 -1.943 1.00 0.00 C ATOM 0 HA PRO A 43 -11.617 2.186 -1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.491 2.094 -3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.294 2.168 -1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.845 -0.116 -3.463 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.265 0.114 -1.826 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.433 -1.571 -2.658 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.926 -1.252 -1.011 1.00 0.00 H new ATOM 706 N THR A 44 -12.722 0.552 -3.953 1.00 0.00 N ATOM 707 CA THR A 44 -13.512 0.583 -5.172 1.00 0.00 C ATOM 708 C THR A 44 -14.124 1.969 -5.376 1.00 0.00 C ATOM 709 O THR A 44 -14.135 2.490 -6.490 1.00 0.00 O ATOM 710 CB THR A 44 -14.554 -0.536 -5.088 1.00 0.00 C ATOM 711 OG1 THR A 44 -13.904 -1.660 -5.674 1.00 0.00 O ATOM 712 CG2 THR A 44 -15.757 -0.284 -6.000 1.00 0.00 C ATOM 0 H THR A 44 -12.775 -0.324 -3.433 1.00 0.00 H new ATOM 0 HA THR A 44 -12.892 0.405 -6.050 1.00 0.00 H new ATOM 0 HB THR A 44 -14.894 -0.639 -4.058 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.508 -2.432 -5.659 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.466 -1.106 -5.903 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.242 0.649 -5.713 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.421 -0.215 -7.035 1.00 0.00 H new ATOM 720 N THR A 45 -14.621 2.529 -4.282 1.00 0.00 N ATOM 721 CA THR A 45 -15.233 3.845 -4.326 1.00 0.00 C ATOM 722 C THR A 45 -14.449 4.828 -3.455 1.00 0.00 C ATOM 723 O THR A 45 -13.756 4.422 -2.523 1.00 0.00 O ATOM 724 CB THR A 45 -16.699 3.700 -3.909 1.00 0.00 C ATOM 725 OG1 THR A 45 -16.646 3.588 -2.490 1.00 0.00 O ATOM 726 CG2 THR A 45 -17.307 2.373 -4.366 1.00 0.00 C ATOM 0 H THR A 45 -14.612 2.094 -3.359 1.00 0.00 H new ATOM 0 HA THR A 45 -15.206 4.259 -5.334 1.00 0.00 H new ATOM 0 HB THR A 45 -17.278 4.526 -4.321 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.317 2.698 -2.244 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.347 2.320 -4.045 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.258 2.306 -5.453 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.749 1.546 -3.926 1.00 0.00 H new ATOM 734 N PRO A 46 -14.587 6.137 -3.798 1.00 0.00 N ATOM 735 CA PRO A 46 -13.901 7.181 -3.057 1.00 0.00 C ATOM 736 C PRO A 46 -14.572 7.429 -1.705 1.00 0.00 C ATOM 737 O PRO A 46 -15.662 6.919 -1.447 1.00 0.00 O ATOM 738 CB PRO A 46 -13.935 8.398 -3.969 1.00 0.00 C ATOM 739 CG PRO A 46 -15.038 8.130 -4.980 1.00 0.00 C ATOM 740 CD PRO A 46 -15.400 6.655 -4.895 1.00 0.00 C ATOM 0 HA PRO A 46 -12.874 6.913 -2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.138 9.306 -3.401 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -12.976 8.540 -4.466 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.909 8.750 -4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.704 8.384 -5.986 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.463 6.519 -4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.180 6.139 -5.829 1.00 0.00 H new ATOM 748 N GLY A 47 -13.894 8.210 -0.878 1.00 0.00 N ATOM 749 CA GLY A 47 -14.412 8.531 0.441 1.00 0.00 C ATOM 750 C GLY A 47 -13.955 7.500 1.475 1.00 0.00 C ATOM 751 O GLY A 47 -13.819 7.818 2.657 1.00 0.00 O ATOM 0 H GLY A 47 -12.990 8.630 -1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.073 9.524 0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.501 8.562 0.410 1.00 0.00 H new ATOM 755 N GLU A 48 -13.730 6.287 0.995 1.00 0.00 N ATOM 756 CA GLU A 48 -13.291 5.207 1.863 1.00 0.00 C ATOM 757 C GLU A 48 -11.782 4.995 1.724 1.00 0.00 C ATOM 758 O GLU A 48 -11.314 4.487 0.707 1.00 0.00 O ATOM 759 CB GLU A 48 -14.056 3.916 1.562 1.00 0.00 C ATOM 760 CG GLU A 48 -13.667 3.355 0.193 1.00 0.00 C ATOM 761 CD GLU A 48 -14.882 2.761 -0.521 1.00 0.00 C ATOM 762 OE1 GLU A 48 -15.945 2.687 0.133 1.00 0.00 O ATOM 763 OE2 GLU A 48 -14.722 2.394 -1.706 1.00 0.00 O ATOM 0 H GLU A 48 -13.843 6.027 0.015 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.506 5.486 2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.847 3.176 2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.128 4.110 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.232 4.146 -0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.901 2.589 0.314 1.00 0.00 H new ATOM 770 N THR A 49 -11.062 5.396 2.762 1.00 0.00 N ATOM 771 CA THR A 49 -9.617 5.256 2.770 1.00 0.00 C ATOM 772 C THR A 49 -9.222 3.784 2.633 1.00 0.00 C ATOM 773 O THR A 49 -9.876 2.908 3.197 1.00 0.00 O ATOM 774 CB THR A 49 -9.084 5.912 4.045 1.00 0.00 C ATOM 775 OG1 THR A 49 -10.025 5.536 5.047 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.178 7.439 4.001 1.00 0.00 C ATOM 0 H THR A 49 -11.454 5.818 3.604 1.00 0.00 H new ATOM 0 HA THR A 49 -9.167 5.761 1.915 1.00 0.00 H new ATOM 0 HB THR A 49 -8.046 5.616 4.199 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.662 4.794 5.574 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.787 7.855 4.930 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.594 7.815 3.161 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.220 7.736 3.881 1.00 0.00 H new ATOM 784 N ALA A 50 -8.155 3.558 1.881 1.00 0.00 N ATOM 785 CA ALA A 50 -7.665 2.207 1.664 1.00 0.00 C ATOM 786 C ALA A 50 -6.431 1.970 2.537 1.00 0.00 C ATOM 787 O ALA A 50 -5.700 2.907 2.852 1.00 0.00 O ATOM 788 CB ALA A 50 -7.374 2.003 0.177 1.00 0.00 C ATOM 0 H ALA A 50 -7.616 4.287 1.414 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.419 1.474 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.006 0.990 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.288 2.154 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.619 2.719 -0.148 1.00 0.00 H new ATOM 794 N HIS A 51 -6.238 0.711 2.903 1.00 0.00 N ATOM 795 CA HIS A 51 -5.106 0.339 3.733 1.00 0.00 C ATOM 796 C HIS A 51 -4.634 -1.068 3.358 1.00 0.00 C ATOM 797 O HIS A 51 -5.143 -2.057 3.882 1.00 0.00 O ATOM 798 CB HIS A 51 -5.452 0.471 5.218 1.00 0.00 C ATOM 799 CG HIS A 51 -6.504 1.514 5.512 1.00 0.00 C ATOM 800 ND1 HIS A 51 -7.744 1.202 6.039 1.00 0.00 N ATOM 801 CD2 HIS A 51 -6.485 2.869 5.347 1.00 0.00 C ATOM 802 CE1 HIS A 51 -8.434 2.323 6.181 1.00 0.00 C ATOM 803 NE2 HIS A 51 -7.653 3.356 5.751 1.00 0.00 N ATOM 0 H HIS A 51 -6.847 -0.064 2.640 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.278 1.024 3.550 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.799 -0.494 5.587 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.546 0.717 5.771 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -8.072 0.266 6.278 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.661 3.447 4.955 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.439 2.405 6.569 1.00 0.00 H new ATOM 812 N VAL A 52 -3.667 -1.111 2.453 1.00 0.00 N ATOM 813 CA VAL A 52 -3.122 -2.380 2.001 1.00 0.00 C ATOM 814 C VAL A 52 -1.691 -2.529 2.521 1.00 0.00 C ATOM 815 O VAL A 52 -0.952 -1.549 2.606 1.00 0.00 O ATOM 816 CB VAL A 52 -3.218 -2.478 0.477 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.133 -1.092 -0.168 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.140 -3.409 -0.081 1.00 0.00 C ATOM 0 H VAL A 52 -3.247 -0.288 2.021 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.702 -3.210 2.403 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.190 -2.904 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.204 -1.190 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.952 -0.471 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.182 -0.627 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.230 -3.461 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.155 -3.024 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.266 -4.406 0.342 1.00 0.00 H new ATOM 828 N ARG A 53 -1.342 -3.763 2.856 1.00 0.00 N ATOM 829 CA ARG A 53 -0.013 -4.053 3.366 1.00 0.00 C ATOM 830 C ARG A 53 0.960 -4.286 2.208 1.00 0.00 C ATOM 831 O ARG A 53 1.204 -5.426 1.818 1.00 0.00 O ATOM 832 CB ARG A 53 -0.027 -5.288 4.268 1.00 0.00 C ATOM 833 CG ARG A 53 -0.782 -5.009 5.569 1.00 0.00 C ATOM 834 CD ARG A 53 -0.289 -5.918 6.696 1.00 0.00 C ATOM 835 NE ARG A 53 -0.823 -7.286 6.513 1.00 0.00 N ATOM 836 CZ ARG A 53 -0.639 -8.287 7.385 1.00 0.00 C ATOM 837 NH1 ARG A 53 0.067 -8.078 8.506 1.00 0.00 N ATOM 838 NH2 ARG A 53 -1.161 -9.496 7.137 1.00 0.00 N ATOM 0 H ARG A 53 -1.957 -4.573 2.784 1.00 0.00 H new ATOM 0 HA ARG A 53 0.313 -3.193 3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.495 -6.121 3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.996 -5.589 4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.649 -3.965 5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.850 -5.163 5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.801 -5.942 6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.607 -5.521 7.660 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.365 -7.479 5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.464 -7.157 8.695 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.207 -8.840 9.170 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.698 -9.654 6.285 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.021 -10.258 7.801 1.00 0.00 H new ATOM 852 N VAL A 54 1.489 -3.187 1.691 1.00 0.00 N ATOM 853 CA VAL A 54 2.430 -3.257 0.587 1.00 0.00 C ATOM 854 C VAL A 54 3.829 -3.554 1.131 1.00 0.00 C ATOM 855 O VAL A 54 4.198 -3.070 2.199 1.00 0.00 O ATOM 856 CB VAL A 54 2.370 -1.968 -0.235 1.00 0.00 C ATOM 857 CG1 VAL A 54 2.448 -0.737 0.671 1.00 0.00 C ATOM 858 CG2 VAL A 54 3.474 -1.940 -1.294 1.00 0.00 C ATOM 0 H VAL A 54 1.283 -2.243 2.017 1.00 0.00 H new ATOM 0 HA VAL A 54 2.165 -4.070 -0.088 1.00 0.00 H new ATOM 0 HB VAL A 54 1.411 -1.945 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.403 0.166 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.611 -0.746 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.385 -0.754 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.408 -1.013 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.447 -1.998 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.354 -2.789 -1.967 1.00 0.00 H new ATOM 868 N PRO A 55 4.587 -4.372 0.352 1.00 0.00 N ATOM 869 CA PRO A 55 5.936 -4.739 0.746 1.00 0.00 C ATOM 870 C PRO A 55 6.907 -3.575 0.530 1.00 0.00 C ATOM 871 O PRO A 55 6.873 -2.919 -0.509 1.00 0.00 O ATOM 872 CB PRO A 55 6.274 -5.958 -0.099 1.00 0.00 C ATOM 873 CG PRO A 55 5.291 -5.947 -1.257 1.00 0.00 C ATOM 874 CD PRO A 55 4.182 -4.964 -0.919 1.00 0.00 C ATOM 0 HA PRO A 55 6.015 -4.971 1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.302 -5.911 -0.459 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.182 -6.875 0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.792 -5.655 -2.180 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.881 -6.944 -1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.076 -4.205 -1.694 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.219 -5.468 -0.832 1.00 0.00 H new ATOM 882 N PHE A 56 7.749 -3.356 1.530 1.00 0.00 N ATOM 883 CA PHE A 56 8.726 -2.283 1.463 1.00 0.00 C ATOM 884 C PHE A 56 9.489 -2.319 0.137 1.00 0.00 C ATOM 885 O PHE A 56 9.778 -1.274 -0.445 1.00 0.00 O ATOM 886 CB PHE A 56 9.712 -2.505 2.611 1.00 0.00 C ATOM 887 CG PHE A 56 10.438 -1.235 3.062 1.00 0.00 C ATOM 888 CD1 PHE A 56 9.765 -0.276 3.753 1.00 0.00 C ATOM 889 CD2 PHE A 56 11.755 -1.064 2.771 1.00 0.00 C ATOM 890 CE1 PHE A 56 10.438 0.902 4.171 1.00 0.00 C ATOM 891 CE2 PHE A 56 12.429 0.114 3.189 1.00 0.00 C ATOM 892 CZ PHE A 56 11.756 1.072 3.880 1.00 0.00 C ATOM 0 H PHE A 56 7.774 -3.903 2.390 1.00 0.00 H new ATOM 0 HA PHE A 56 8.225 -1.318 1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.175 -2.926 3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.452 -3.244 2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.719 -0.411 3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.289 -1.825 2.221 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.904 1.663 4.720 1.00 0.00 H new ATOM 0 HE2 PHE A 56 13.475 0.249 2.958 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.268 1.968 4.198 1.00 0.00 H new ATOM 902 N VAL A 57 9.795 -3.531 -0.301 1.00 0.00 N ATOM 903 CA VAL A 57 10.519 -3.716 -1.547 1.00 0.00 C ATOM 904 C VAL A 57 9.644 -3.254 -2.714 1.00 0.00 C ATOM 905 O VAL A 57 10.149 -2.964 -3.797 1.00 0.00 O ATOM 906 CB VAL A 57 10.970 -5.173 -1.678 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.835 -6.133 -1.316 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.501 -5.457 -3.085 1.00 0.00 C ATOM 0 H VAL A 57 9.555 -4.395 0.185 1.00 0.00 H new ATOM 0 HA VAL A 57 11.423 -3.107 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 57 11.785 -5.337 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.182 -7.161 -1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.522 -5.955 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.991 -5.967 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.815 -6.499 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.715 -5.267 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.352 -4.808 -3.291 1.00 0.00 H new ATOM 918 N ASN A 58 8.345 -3.199 -2.453 1.00 0.00 N ATOM 919 CA ASN A 58 7.396 -2.778 -3.468 1.00 0.00 C ATOM 920 C ASN A 58 6.696 -1.499 -3.005 1.00 0.00 C ATOM 921 O ASN A 58 5.705 -1.078 -3.601 1.00 0.00 O ATOM 922 CB ASN A 58 6.325 -3.846 -3.699 1.00 0.00 C ATOM 923 CG ASN A 58 5.618 -3.633 -5.039 1.00 0.00 C ATOM 924 OD1 ASN A 58 4.540 -3.066 -5.119 1.00 0.00 O ATOM 925 ND2 ASN A 58 6.282 -4.116 -6.084 1.00 0.00 N ATOM 0 H ASN A 58 7.929 -3.439 -1.553 1.00 0.00 H new ATOM 0 HA ASN A 58 7.945 -2.612 -4.395 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.782 -4.835 -3.678 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.595 -3.815 -2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.894 -4.023 -7.023 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.180 -4.580 -5.948 1.00 0.00 H new ATOM 932 N VAL A 59 7.237 -0.916 -1.945 1.00 0.00 N ATOM 933 CA VAL A 59 6.677 0.307 -1.395 1.00 0.00 C ATOM 934 C VAL A 59 7.060 1.487 -2.290 1.00 0.00 C ATOM 935 O VAL A 59 6.323 2.467 -2.380 1.00 0.00 O ATOM 936 CB VAL A 59 7.132 0.485 0.055 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.254 1.966 0.414 1.00 0.00 C ATOM 938 CG2 VAL A 59 6.187 -0.237 1.018 1.00 0.00 C ATOM 0 H VAL A 59 8.058 -1.268 -1.452 1.00 0.00 H new ATOM 0 HA VAL A 59 5.588 0.253 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 59 8.120 0.035 0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.579 2.064 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.984 2.440 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.286 2.451 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.533 -0.095 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.181 0.170 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.173 -1.302 0.784 1.00 0.00 H new ATOM 948 N GLN A 60 8.213 1.353 -2.929 1.00 0.00 N ATOM 949 CA GLN A 60 8.703 2.397 -3.815 1.00 0.00 C ATOM 950 C GLN A 60 7.882 2.426 -5.106 1.00 0.00 C ATOM 951 O GLN A 60 7.201 3.410 -5.390 1.00 0.00 O ATOM 952 CB GLN A 60 10.191 2.206 -4.116 1.00 0.00 C ATOM 953 CG GLN A 60 10.840 3.528 -4.529 1.00 0.00 C ATOM 954 CD GLN A 60 11.593 4.160 -3.356 1.00 0.00 C ATOM 955 OE1 GLN A 60 12.343 3.513 -2.645 1.00 0.00 O ATOM 956 NE2 GLN A 60 11.349 5.457 -3.194 1.00 0.00 N ATOM 0 H GLN A 60 8.822 0.538 -2.851 1.00 0.00 H new ATOM 0 HA GLN A 60 8.588 3.357 -3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.696 1.808 -3.236 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.313 1.472 -4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.528 3.356 -5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.075 4.216 -4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.709 5.938 -3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.802 5.971 -2.438 1.00 0.00 H new ATOM 965 N ALA A 61 7.974 1.336 -5.853 1.00 0.00 N ATOM 966 CA ALA A 61 7.249 1.224 -7.107 1.00 0.00 C ATOM 967 C ALA A 61 5.796 1.654 -6.890 1.00 0.00 C ATOM 968 O ALA A 61 5.187 2.261 -7.769 1.00 0.00 O ATOM 969 CB ALA A 61 7.360 -0.207 -7.636 1.00 0.00 C ATOM 0 H ALA A 61 8.540 0.522 -5.614 1.00 0.00 H new ATOM 0 HA ALA A 61 7.680 1.884 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.816 -0.290 -8.577 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.409 -0.454 -7.800 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.934 -0.898 -6.908 1.00 0.00 H new ATOM 975 N VAL A 62 5.283 1.320 -5.715 1.00 0.00 N ATOM 976 CA VAL A 62 3.914 1.664 -5.373 1.00 0.00 C ATOM 977 C VAL A 62 3.833 3.156 -5.044 1.00 0.00 C ATOM 978 O VAL A 62 2.880 3.831 -5.430 1.00 0.00 O ATOM 979 CB VAL A 62 3.420 0.772 -4.230 1.00 0.00 C ATOM 980 CG1 VAL A 62 2.057 1.241 -3.717 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.369 -0.694 -4.662 1.00 0.00 C ATOM 0 H VAL A 62 5.791 0.815 -4.989 1.00 0.00 H new ATOM 0 HA VAL A 62 3.252 1.482 -6.220 1.00 0.00 H new ATOM 0 HB VAL A 62 4.132 0.855 -3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.730 0.590 -2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.139 2.264 -3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.330 1.203 -4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.015 -1.306 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.689 -0.801 -5.507 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.366 -1.022 -4.955 1.00 0.00 H new ATOM 991 N LYS A 63 4.847 3.627 -4.333 1.00 0.00 N ATOM 992 CA LYS A 63 4.904 5.028 -3.948 1.00 0.00 C ATOM 993 C LYS A 63 4.935 5.897 -5.206 1.00 0.00 C ATOM 994 O LYS A 63 4.423 7.015 -5.205 1.00 0.00 O ATOM 995 CB LYS A 63 6.079 5.276 -3.000 1.00 0.00 C ATOM 996 CG LYS A 63 6.613 6.702 -3.150 1.00 0.00 C ATOM 997 CD LYS A 63 7.483 7.090 -1.952 1.00 0.00 C ATOM 998 CE LYS A 63 6.622 7.582 -0.786 1.00 0.00 C ATOM 999 NZ LYS A 63 7.360 8.581 0.017 1.00 0.00 N ATOM 0 H LYS A 63 5.635 3.064 -4.013 1.00 0.00 H new ATOM 0 HA LYS A 63 4.010 5.306 -3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.762 5.109 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.876 4.562 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.195 6.782 -4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.780 7.399 -3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.075 6.232 -1.635 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.185 7.871 -2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.700 8.022 -1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.336 6.739 -0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.762 8.904 0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.227 8.150 0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.611 9.392 -0.583 1.00 0.00 H new ATOM 1013 N VAL A 64 5.541 5.351 -6.250 1.00 0.00 N ATOM 1014 CA VAL A 64 5.646 6.063 -7.512 1.00 0.00 C ATOM 1015 C VAL A 64 4.301 6.004 -8.239 1.00 0.00 C ATOM 1016 O VAL A 64 3.894 6.973 -8.878 1.00 0.00 O ATOM 1017 CB VAL A 64 6.799 5.493 -8.341 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.626 5.827 -9.824 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.148 5.993 -7.819 1.00 0.00 C ATOM 0 H VAL A 64 5.965 4.423 -6.248 1.00 0.00 H new ATOM 0 HA VAL A 64 5.877 7.114 -7.339 1.00 0.00 H new ATOM 0 HB VAL A 64 6.781 4.408 -8.239 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.459 5.410 -10.390 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.691 5.400 -10.186 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.605 6.909 -9.953 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.951 5.573 -8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.180 7.081 -7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.275 5.681 -6.782 1.00 0.00 H new ATOM 1029 N PHE A 65 3.650 4.857 -8.118 1.00 0.00 N ATOM 1030 CA PHE A 65 2.359 4.658 -8.756 1.00 0.00 C ATOM 1031 C PHE A 65 1.331 5.667 -8.239 1.00 0.00 C ATOM 1032 O PHE A 65 0.561 6.227 -9.018 1.00 0.00 O ATOM 1033 CB PHE A 65 1.895 3.245 -8.396 1.00 0.00 C ATOM 1034 CG PHE A 65 0.755 2.723 -9.272 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.933 2.591 -10.614 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.438 2.391 -8.709 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.125 2.106 -11.427 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.497 1.906 -9.522 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.318 1.774 -10.864 1.00 0.00 C ATOM 0 H PHE A 65 3.992 4.055 -7.588 1.00 0.00 H new ATOM 0 HA PHE A 65 2.452 4.793 -9.834 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.742 2.564 -8.476 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.574 3.233 -7.354 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.880 2.855 -11.061 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.580 2.496 -7.644 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.017 2.001 -12.492 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.444 1.642 -9.075 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.123 1.406 -11.482 1.00 0.00 H new ATOM 1049 N LEU A 66 1.354 5.868 -6.930 1.00 0.00 N ATOM 1050 CA LEU A 66 0.434 6.800 -6.301 1.00 0.00 C ATOM 1051 C LEU A 66 0.668 8.203 -6.866 1.00 0.00 C ATOM 1052 O LEU A 66 -0.225 8.786 -7.480 1.00 0.00 O ATOM 1053 CB LEU A 66 0.552 6.723 -4.778 1.00 0.00 C ATOM 1054 CG LEU A 66 0.094 5.413 -4.134 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.451 5.378 -2.646 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.400 5.180 -4.369 1.00 0.00 C ATOM 0 H LEU A 66 1.995 5.402 -6.288 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.597 6.532 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.593 6.894 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.028 7.539 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 66 0.628 4.593 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.114 4.436 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.531 5.465 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.038 6.208 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.700 4.242 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.969 6.001 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.596 5.130 -5.440 1.00 0.00 H new ATOM 1068 N GLU A 67 1.873 8.703 -6.640 1.00 0.00 N ATOM 1069 CA GLU A 67 2.236 10.026 -7.119 1.00 0.00 C ATOM 1070 C GLU A 67 1.993 10.129 -8.626 1.00 0.00 C ATOM 1071 O GLU A 67 1.678 11.204 -9.135 1.00 0.00 O ATOM 1072 CB GLU A 67 3.691 10.354 -6.774 1.00 0.00 C ATOM 1073 CG GLU A 67 3.788 11.055 -5.418 1.00 0.00 C ATOM 1074 CD GLU A 67 4.313 12.483 -5.576 1.00 0.00 C ATOM 1075 OE1 GLU A 67 3.742 13.208 -6.419 1.00 0.00 O ATOM 1076 OE2 GLU A 67 5.274 12.818 -4.850 1.00 0.00 O ATOM 0 H GLU A 67 2.611 8.216 -6.131 1.00 0.00 H new ATOM 0 HA GLU A 67 1.604 10.759 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.280 9.437 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.117 10.992 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.807 11.075 -4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.449 10.491 -4.760 1.00 0.00 H new ATOM 1083 N SER A 68 2.149 8.998 -9.298 1.00 0.00 N ATOM 1084 CA SER A 68 1.950 8.949 -10.737 1.00 0.00 C ATOM 1085 C SER A 68 0.455 8.997 -11.060 1.00 0.00 C ATOM 1086 O SER A 68 0.047 9.633 -12.029 1.00 0.00 O ATOM 1087 CB SER A 68 2.583 7.691 -11.336 1.00 0.00 C ATOM 1088 OG SER A 68 1.839 6.517 -11.023 1.00 0.00 O ATOM 0 H SER A 68 2.411 8.109 -8.873 1.00 0.00 H new ATOM 0 HA SER A 68 2.439 9.816 -11.181 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.650 7.799 -12.419 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.601 7.585 -10.962 1.00 0.00 H new ATOM 0 HG SER A 68 1.185 6.721 -10.322 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.319 8.315 -10.230 1.00 0.00 N ATOM 1095 CA GLN A 69 -1.761 8.271 -10.415 1.00 0.00 C ATOM 1096 C GLN A 69 -2.419 9.471 -9.731 1.00 0.00 C ATOM 1097 O GLN A 69 -3.570 9.391 -9.305 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.341 6.955 -9.895 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.736 7.075 -8.422 1.00 0.00 C ATOM 1100 CD GLN A 69 -2.525 5.749 -7.688 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -1.539 5.057 -7.875 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -3.506 5.435 -6.846 1.00 0.00 N ATOM 0 H GLN A 69 0.024 7.788 -9.427 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.974 8.325 -11.483 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.213 6.678 -10.488 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.608 6.158 -10.015 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.144 7.857 -7.946 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.781 7.375 -8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.304 6.060 -6.737 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.460 4.569 -6.309 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.662 10.554 -9.647 1.00 0.00 N ATOM 1112 CA GLY A 70 -2.158 11.768 -9.021 1.00 0.00 C ATOM 1113 C GLY A 70 -3.057 11.442 -7.827 1.00 0.00 C ATOM 1114 O GLY A 70 -4.200 11.889 -7.766 1.00 0.00 O ATOM 0 H GLY A 70 -0.708 10.617 -10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.319 12.381 -8.692 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.715 12.356 -9.750 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.504 10.665 -6.907 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.241 10.273 -5.717 1.00 0.00 C ATOM 1120 C ILE A 71 -2.504 10.779 -4.475 1.00 0.00 C ATOM 1121 O ILE A 71 -1.421 11.353 -4.583 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.488 8.763 -5.713 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.712 8.410 -4.867 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.239 8.004 -5.258 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.684 7.526 -5.650 1.00 0.00 C ATOM 0 H ILE A 71 -1.555 10.296 -6.961 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.228 10.734 -5.712 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.701 8.449 -6.735 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.395 7.894 -3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.218 9.323 -4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.442 6.933 -5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.414 8.221 -5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.971 8.317 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.545 7.290 -5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.018 8.054 -6.543 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.183 6.603 -5.941 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.120 10.549 -3.326 1.00 0.00 N ATOM 1138 CA ALA A 72 -2.536 10.974 -2.065 1.00 0.00 C ATOM 1139 C ALA A 72 -2.709 9.864 -1.027 1.00 0.00 C ATOM 1140 O ALA A 72 -3.827 9.419 -0.769 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.178 12.290 -1.623 1.00 0.00 C ATOM 0 H ALA A 72 -4.018 10.074 -3.241 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.467 11.154 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.740 12.609 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.001 13.054 -2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.251 12.147 -1.496 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.586 9.448 -0.459 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.599 8.397 0.545 1.00 0.00 C ATOM 1149 C TYR A 73 -0.868 8.842 1.813 1.00 0.00 C ATOM 1150 O TYR A 73 -0.533 10.017 1.962 1.00 0.00 O ATOM 1151 CB TYR A 73 -0.852 7.214 -0.072 1.00 0.00 C ATOM 1152 CG TYR A 73 0.387 7.613 -0.879 1.00 0.00 C ATOM 1153 CD1 TYR A 73 0.243 8.259 -2.090 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.647 7.327 -0.394 1.00 0.00 C ATOM 1155 CE1 TYR A 73 1.408 8.634 -2.848 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.812 7.702 -1.154 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.635 8.337 -2.342 1.00 0.00 C ATOM 1158 OH TYR A 73 3.735 8.692 -3.059 1.00 0.00 O ATOM 0 H TYR A 73 -0.661 9.820 -0.675 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.622 8.145 0.823 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.551 6.533 0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.534 6.665 -0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.743 8.483 -2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.760 6.823 0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.310 9.140 -3.797 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.804 7.483 -0.788 1.00 0.00 H new ATOM 0 HH TYR A 73 3.836 8.088 -3.824 1.00 0.00 H new ATOM 1168 N SER A 74 -0.642 7.880 2.696 1.00 0.00 N ATOM 1169 CA SER A 74 0.042 8.158 3.946 1.00 0.00 C ATOM 1170 C SER A 74 0.632 6.868 4.518 1.00 0.00 C ATOM 1171 O SER A 74 0.275 5.773 4.085 1.00 0.00 O ATOM 1172 CB SER A 74 -0.903 8.805 4.961 1.00 0.00 C ATOM 1173 OG SER A 74 -0.199 9.579 5.928 1.00 0.00 O ATOM 0 H SER A 74 -0.921 6.907 2.570 1.00 0.00 H new ATOM 0 HA SER A 74 0.850 8.861 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.617 9.441 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.478 8.029 5.467 1.00 0.00 H new ATOM 0 HG SER A 74 -0.837 9.977 6.556 1.00 0.00 H new ATOM 1179 N ILE A 75 1.525 7.039 5.482 1.00 0.00 N ATOM 1180 CA ILE A 75 2.167 5.900 6.118 1.00 0.00 C ATOM 1181 C ILE A 75 1.474 5.607 7.449 1.00 0.00 C ATOM 1182 O ILE A 75 1.484 6.438 8.355 1.00 0.00 O ATOM 1183 CB ILE A 75 3.672 6.139 6.248 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.304 6.417 4.882 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.353 4.972 6.967 1.00 0.00 C ATOM 1186 CD1 ILE A 75 4.248 7.908 4.546 1.00 0.00 C ATOM 0 H ILE A 75 1.819 7.948 5.838 1.00 0.00 H new ATOM 0 HA ILE A 75 2.061 5.008 5.500 1.00 0.00 H new ATOM 0 HB ILE A 75 3.824 7.028 6.860 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.340 6.079 4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.782 5.847 4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.422 5.168 7.046 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.929 4.863 7.965 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.193 4.053 6.402 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.704 8.079 3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.209 8.237 4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.791 8.472 5.304 1.00 0.00 H new ATOM 1198 N MET A 76 0.888 4.421 7.526 1.00 0.00 N ATOM 1199 CA MET A 76 0.191 4.007 8.732 1.00 0.00 C ATOM 1200 C MET A 76 1.164 3.411 9.750 1.00 0.00 C ATOM 1201 O MET A 76 1.239 3.874 10.888 1.00 0.00 O ATOM 1202 CB MET A 76 -0.875 2.969 8.375 1.00 0.00 C ATOM 1203 CG MET A 76 -1.979 2.929 9.434 1.00 0.00 C ATOM 1204 SD MET A 76 -3.575 2.805 8.648 1.00 0.00 S ATOM 1205 CE MET A 76 -4.610 2.560 10.083 1.00 0.00 C ATOM 0 H MET A 76 0.882 3.733 6.773 1.00 0.00 H new ATOM 0 HA MET A 76 -0.279 4.884 9.177 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.307 3.206 7.403 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.414 1.985 8.288 1.00 0.00 H new ATOM 0 HG2 MET A 76 -1.825 2.079 10.099 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.937 3.828 10.049 1.00 0.00 H new ATOM 0 HE1 MET A 76 -5.649 2.462 9.770 1.00 0.00 H new ATOM 0 HE2 MET A 76 -4.301 1.654 10.604 1.00 0.00 H new ATOM 0 HE3 MET A 76 -4.512 3.414 10.753 1.00 0.00 H new ATOM 1215 N ILE A 77 1.885 2.392 9.306 1.00 0.00 N ATOM 1216 CA ILE A 77 2.850 1.727 10.165 1.00 0.00 C ATOM 1217 C ILE A 77 4.098 1.380 9.349 1.00 0.00 C ATOM 1218 O ILE A 77 3.992 0.892 8.225 1.00 0.00 O ATOM 1219 CB ILE A 77 2.212 0.521 10.855 1.00 0.00 C ATOM 1220 CG1 ILE A 77 3.132 -0.039 11.942 1.00 0.00 C ATOM 1221 CG2 ILE A 77 1.813 -0.548 9.836 1.00 0.00 C ATOM 1222 CD1 ILE A 77 3.552 1.057 12.923 1.00 0.00 C ATOM 0 H ILE A 77 1.820 2.011 8.362 1.00 0.00 H new ATOM 0 HA ILE A 77 3.168 2.392 10.968 1.00 0.00 H new ATOM 0 HB ILE A 77 1.298 0.854 11.346 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.621 -0.837 12.480 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.017 -0.480 11.483 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.362 -1.394 10.354 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.095 -0.129 9.131 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.698 -0.884 9.295 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.205 0.632 13.685 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.084 1.842 12.386 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.666 1.479 13.398 1.00 0.00 H new ATOM 1234 N GLU A 78 5.250 1.645 9.947 1.00 0.00 N ATOM 1235 CA GLU A 78 6.515 1.366 9.290 1.00 0.00 C ATOM 1236 C GLU A 78 7.037 -0.011 9.706 1.00 0.00 C ATOM 1237 O GLU A 78 6.261 -0.953 9.860 1.00 0.00 O ATOM 1238 CB GLU A 78 7.543 2.457 9.596 1.00 0.00 C ATOM 1239 CG GLU A 78 8.005 2.383 11.053 1.00 0.00 C ATOM 1240 CD GLU A 78 9.529 2.486 11.151 1.00 0.00 C ATOM 1241 OE1 GLU A 78 10.197 1.668 10.484 1.00 0.00 O ATOM 1242 OE2 GLU A 78 9.990 3.382 11.891 1.00 0.00 O ATOM 0 H GLU A 78 5.334 2.050 10.879 1.00 0.00 H new ATOM 0 HA GLU A 78 6.349 1.360 8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.401 2.349 8.933 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.108 3.437 9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.545 3.188 11.625 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.671 1.445 11.497 1.00 0.00 H new