USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 695 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 Single : A 7 ASN :FLIP amide:sc= 0.318 F(o=-0.28,f=0.32) USER MOD Single : A 8 GLN : amide:sc= -0.0564 K(o=-0.056,f=-1.2) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.844 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.534 F(o=-1.4,f=-0.53) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -169:sc=-0.00638 (180deg=-0.132) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.9 K(o=-1.9,f=-2.8!) USER MOD Single : A 40 HIS : no HD1:sc= -2.49! C(o=-2.5!,f=-3.6!) USER MOD Single : A 42 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.039) USER MOD Single : A 46 SER OG : rot -140:sc= -0.359 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 172:sc= 0.0868 (180deg=0.0591) USER MOD Single : A 59 LYS NZ :NH3+ -125:sc= -4.09! (180deg=-11.2!) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 76:sc= 0.406 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.569 X(o=-0.57,f=-0.23) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.413 F(o=-1.6,f=-0.41) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 80 MET CE :methyl -160:sc= -2.46 (180deg=-2.81) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -71:sc= 0.297 USER MOD ----------------------------------------------------------------- ATOM 168 N ASN A 7 -5.079 3.907 -8.536 1.00 0.00 N ATOM 169 CA ASN A 7 -4.877 3.016 -7.399 1.00 0.00 C ATOM 170 C ASN A 7 -3.928 1.878 -7.761 1.00 0.00 C ATOM 171 O ASN A 7 -3.697 1.601 -8.938 1.00 0.00 O ATOM 172 CB ASN A 7 -6.217 2.449 -6.926 1.00 0.00 C ATOM 173 CG ASN A 7 -6.869 1.561 -7.968 1.00 0.00 C ATOM 174 OD1 ASN A 7 -7.196 0.334 -7.580 1.00 0.00 O flip ATOM 175 ND2 ASN A 7 -7.077 1.975 -9.109 1.00 0.00 N flip ATOM 0 HA ASN A 7 -4.429 3.594 -6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.064 1.878 -6.010 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.890 3.271 -6.680 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.809 2.926 -9.363 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.517 1.367 -9.800 1.00 0.00 H new ATOM 182 N GLN A 8 -3.383 1.221 -6.742 1.00 0.00 N ATOM 183 CA GLN A 8 -2.460 0.113 -6.954 1.00 0.00 C ATOM 184 C GLN A 8 -3.061 -1.198 -6.459 1.00 0.00 C ATOM 185 O GLN A 8 -3.741 -1.235 -5.434 1.00 0.00 O ATOM 186 CB GLN A 8 -1.134 0.382 -6.238 1.00 0.00 C ATOM 187 CG GLN A 8 0.038 -0.394 -6.816 1.00 0.00 C ATOM 188 CD GLN A 8 0.570 0.222 -8.095 1.00 0.00 C ATOM 189 OE1 GLN A 8 -0.057 0.132 -9.151 1.00 0.00 O ATOM 190 NE2 GLN A 8 1.735 0.854 -8.007 1.00 0.00 N ATOM 0 H GLN A 8 -3.565 1.437 -5.762 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.276 0.026 -8.025 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.913 1.448 -6.288 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.242 0.128 -5.183 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.839 -0.439 -6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.272 -1.420 -7.013 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.221 0.905 -7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.143 1.288 -8.835 1.00 0.00 H new ATOM 199 N THR A 9 -2.808 -2.275 -7.197 1.00 0.00 N ATOM 200 CA THR A 9 -3.325 -3.589 -6.835 1.00 0.00 C ATOM 201 C THR A 9 -2.192 -4.558 -6.518 1.00 0.00 C ATOM 202 O THR A 9 -1.079 -4.414 -7.025 1.00 0.00 O ATOM 203 CB THR A 9 -4.193 -4.180 -7.962 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.542 -4.003 -9.225 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.563 -3.520 -7.994 1.00 0.00 C ATOM 0 H THR A 9 -2.248 -2.263 -8.049 1.00 0.00 H new ATOM 0 HA THR A 9 -3.941 -3.453 -5.946 1.00 0.00 H new ATOM 0 HB THR A 9 -4.326 -5.244 -7.768 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.099 -4.383 -9.936 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.157 -3.954 -8.798 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.067 -3.682 -7.041 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.447 -2.450 -8.165 1.00 0.00 H new ATOM 213 N VAL A 10 -2.482 -5.547 -5.680 1.00 0.00 N ATOM 214 CA VAL A 10 -1.488 -6.543 -5.298 1.00 0.00 C ATOM 215 C VAL A 10 -1.936 -7.946 -5.691 1.00 0.00 C ATOM 216 O VAL A 10 -3.129 -8.252 -5.686 1.00 0.00 O ATOM 217 CB VAL A 10 -1.213 -6.508 -3.783 1.00 0.00 C ATOM 218 CG1 VAL A 10 0.065 -7.265 -3.455 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.132 -5.071 -3.289 1.00 0.00 C ATOM 0 H VAL A 10 -3.398 -5.680 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.570 -6.296 -5.832 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.040 -6.999 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.243 -7.230 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.035 -8.303 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.904 -6.806 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.937 -5.065 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.325 -4.553 -3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.076 -4.564 -3.489 1.00 0.00 H new ATOM 229 N ASP A 11 -0.973 -8.796 -6.027 1.00 0.00 N ATOM 230 CA ASP A 11 -1.266 -10.170 -6.420 1.00 0.00 C ATOM 231 C ASP A 11 -0.792 -11.154 -5.356 1.00 0.00 C ATOM 232 O ASP A 11 0.277 -10.978 -4.768 1.00 0.00 O ATOM 233 CB ASP A 11 -0.607 -10.491 -7.762 1.00 0.00 C ATOM 234 CG ASP A 11 -0.864 -11.917 -8.206 1.00 0.00 C ATOM 235 OD1 ASP A 11 -1.998 -12.403 -8.013 1.00 0.00 O ATOM 236 OD2 ASP A 11 0.068 -12.548 -8.747 1.00 0.00 O ATOM 0 H ASP A 11 0.019 -8.558 -6.035 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.347 -10.269 -6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.981 -9.804 -8.521 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.468 -10.326 -7.685 1.00 0.00 H new ATOM 241 N ILE A 12 -1.590 -12.186 -5.113 1.00 0.00 N ATOM 242 CA ILE A 12 -1.251 -13.198 -4.120 1.00 0.00 C ATOM 243 C ILE A 12 -1.191 -14.586 -4.748 1.00 0.00 C ATOM 244 O ILE A 12 -2.024 -14.957 -5.575 1.00 0.00 O ATOM 245 CB ILE A 12 -2.267 -13.214 -2.963 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.277 -11.862 -2.246 1.00 0.00 C ATOM 247 CG2 ILE A 12 -1.940 -14.334 -1.987 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.525 -11.624 -1.425 1.00 0.00 C ATOM 0 H ILE A 12 -2.477 -12.345 -5.590 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.269 -12.937 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.261 -13.394 -3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.405 -11.799 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.181 -11.067 -2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.667 -14.333 -1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.978 -15.292 -2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.941 -14.181 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.464 -10.647 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.399 -11.655 -2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.612 -12.398 -0.663 1.00 0.00 H new ATOM 260 N PRO A 13 -0.182 -15.374 -4.345 1.00 0.00 N ATOM 261 CA PRO A 13 0.010 -16.735 -4.854 1.00 0.00 C ATOM 262 C PRO A 13 -1.067 -17.695 -4.361 1.00 0.00 C ATOM 263 O PRO A 13 -2.091 -17.272 -3.826 1.00 0.00 O ATOM 264 CB PRO A 13 1.377 -17.134 -4.295 1.00 0.00 C ATOM 265 CG PRO A 13 1.546 -16.297 -3.073 1.00 0.00 C ATOM 266 CD PRO A 13 0.848 -14.997 -3.364 1.00 0.00 C ATOM 0 HA PRO A 13 -0.049 -16.775 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.412 -18.197 -4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.171 -16.944 -5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.112 -16.787 -2.201 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.601 -16.133 -2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.408 -14.567 -2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.535 -14.254 -3.769 1.00 0.00 H new ATOM 274 N GLU A 14 -0.829 -18.991 -4.545 1.00 0.00 N ATOM 275 CA GLU A 14 -1.780 -20.010 -4.118 1.00 0.00 C ATOM 276 C GLU A 14 -1.280 -20.732 -2.869 1.00 0.00 C ATOM 277 O GLU A 14 -2.047 -21.402 -2.179 1.00 0.00 O ATOM 278 CB GLU A 14 -2.018 -21.020 -5.243 1.00 0.00 C ATOM 279 CG GLU A 14 -0.825 -21.924 -5.512 1.00 0.00 C ATOM 280 CD GLU A 14 -0.943 -22.669 -6.827 1.00 0.00 C ATOM 281 OE1 GLU A 14 -1.107 -22.006 -7.873 1.00 0.00 O ATOM 282 OE2 GLU A 14 -0.870 -23.915 -6.811 1.00 0.00 O ATOM 0 H GLU A 14 0.014 -19.359 -4.987 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.721 -19.515 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.881 -21.636 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.268 -20.481 -6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.086 -21.325 -5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.728 -22.643 -4.699 1.00 0.00 H new ATOM 289 N ASN A 15 0.010 -20.589 -2.586 1.00 0.00 N ATOM 290 CA ASN A 15 0.613 -21.226 -1.422 1.00 0.00 C ATOM 291 C ASN A 15 0.544 -20.310 -0.204 1.00 0.00 C ATOM 292 O ASN A 15 1.200 -20.556 0.809 1.00 0.00 O ATOM 293 CB ASN A 15 2.068 -21.596 -1.713 1.00 0.00 C ATOM 294 CG ASN A 15 2.584 -22.683 -0.789 1.00 0.00 C ATOM 295 OD1 ASN A 15 3.707 -22.416 -0.133 1.00 0.00 O flip ATOM 296 ND2 ASN A 15 1.980 -23.748 -0.668 1.00 0.00 N flip ATOM 0 H ASN A 15 0.658 -20.037 -3.147 1.00 0.00 H new ATOM 0 HA ASN A 15 0.051 -22.134 -1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.155 -21.930 -2.747 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.693 -20.709 -1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.120 -23.909 -1.193 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.339 -24.470 -0.043 1.00 0.00 H new ATOM 303 N VAL A 16 -0.256 -19.254 -0.309 1.00 0.00 N ATOM 304 CA VAL A 16 -0.412 -18.302 0.785 1.00 0.00 C ATOM 305 C VAL A 16 -1.873 -17.902 0.961 1.00 0.00 C ATOM 306 O VAL A 16 -2.633 -17.844 -0.007 1.00 0.00 O ATOM 307 CB VAL A 16 0.430 -17.034 0.550 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.413 -16.145 1.785 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.855 -17.405 0.169 1.00 0.00 C ATOM 0 H VAL A 16 -0.806 -19.036 -1.140 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.062 -18.799 1.690 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.009 -16.475 -0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.013 -15.254 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.613 -15.852 2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.826 -16.692 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.436 -16.497 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.307 -17.986 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.844 -17.998 -0.746 1.00 0.00 H new ATOM 319 N ASP A 17 -2.261 -17.628 2.201 1.00 0.00 N ATOM 320 CA ASP A 17 -3.631 -17.232 2.505 1.00 0.00 C ATOM 321 C ASP A 17 -3.659 -15.907 3.260 1.00 0.00 C ATOM 322 O ASP A 17 -3.019 -15.761 4.301 1.00 0.00 O ATOM 323 CB ASP A 17 -4.328 -18.317 3.329 1.00 0.00 C ATOM 324 CG ASP A 17 -4.724 -19.516 2.490 1.00 0.00 C ATOM 325 OD1 ASP A 17 -3.997 -19.832 1.524 1.00 0.00 O ATOM 326 OD2 ASP A 17 -5.761 -20.138 2.798 1.00 0.00 O ATOM 0 H ASP A 17 -1.645 -17.673 3.013 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.163 -17.104 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.666 -18.642 4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.217 -17.897 3.800 1.00 0.00 H new ATOM 331 N ILE A 18 -4.404 -14.944 2.727 1.00 0.00 N ATOM 332 CA ILE A 18 -4.515 -13.632 3.350 1.00 0.00 C ATOM 333 C ILE A 18 -5.967 -13.304 3.685 1.00 0.00 C ATOM 334 O ILE A 18 -6.856 -13.444 2.847 1.00 0.00 O ATOM 335 CB ILE A 18 -3.948 -12.527 2.440 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.449 -12.737 2.219 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.213 -11.155 3.044 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.134 -13.711 1.105 1.00 0.00 C ATOM 0 H ILE A 18 -4.939 -15.049 1.865 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.931 -13.669 4.270 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.449 -12.580 1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.985 -11.777 1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.000 -13.098 3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.806 -10.384 2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.287 -11.007 3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.735 -11.089 4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.053 -13.811 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.569 -14.683 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.553 -13.341 0.169 1.00 0.00 H new ATOM 350 N THR A 19 -6.198 -12.863 4.918 1.00 0.00 N ATOM 351 CA THR A 19 -7.540 -12.513 5.366 1.00 0.00 C ATOM 352 C THR A 19 -7.670 -11.012 5.595 1.00 0.00 C ATOM 353 O THR A 19 -6.887 -10.416 6.335 1.00 0.00 O ATOM 354 CB THR A 19 -7.909 -13.253 6.666 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.502 -14.623 6.583 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.407 -13.179 6.924 1.00 0.00 C ATOM 0 H THR A 19 -5.472 -12.740 5.624 1.00 0.00 H new ATOM 0 HA THR A 19 -8.226 -12.817 4.576 1.00 0.00 H new ATOM 0 HB THR A 19 -7.389 -12.770 7.493 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.739 -15.085 7.414 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.644 -13.708 7.847 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.709 -12.136 7.016 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.942 -13.640 6.094 1.00 0.00 H new ATOM 364 N LEU A 20 -8.664 -10.405 4.956 1.00 0.00 N ATOM 365 CA LEU A 20 -8.897 -8.971 5.089 1.00 0.00 C ATOM 366 C LEU A 20 -10.068 -8.695 6.027 1.00 0.00 C ATOM 367 O LEU A 20 -11.189 -9.144 5.787 1.00 0.00 O ATOM 368 CB LEU A 20 -9.169 -8.348 3.719 1.00 0.00 C ATOM 369 CG LEU A 20 -8.025 -8.427 2.707 1.00 0.00 C ATOM 370 CD1 LEU A 20 -8.500 -7.988 1.330 1.00 0.00 C ATOM 371 CD2 LEU A 20 -6.849 -7.576 3.164 1.00 0.00 C ATOM 0 H LEU A 20 -9.322 -10.884 4.341 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.000 -8.520 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.043 -8.835 3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.428 -7.299 3.864 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.694 -9.463 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.673 -8.051 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.310 -8.639 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.858 -6.960 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.044 -7.644 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.166 -6.538 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.493 -7.936 4.129 1.00 0.00 H new ATOM 383 N LYS A 21 -9.801 -7.953 7.096 1.00 0.00 N ATOM 384 CA LYS A 21 -10.832 -7.613 8.070 1.00 0.00 C ATOM 385 C LYS A 21 -10.915 -6.104 8.271 1.00 0.00 C ATOM 386 O LYS A 21 -10.091 -5.515 8.969 1.00 0.00 O ATOM 387 CB LYS A 21 -10.547 -8.302 9.407 1.00 0.00 C ATOM 388 CG LYS A 21 -11.170 -9.682 9.525 1.00 0.00 C ATOM 389 CD LYS A 21 -11.279 -10.122 10.975 1.00 0.00 C ATOM 390 CE LYS A 21 -11.844 -11.529 11.089 1.00 0.00 C ATOM 391 NZ LYS A 21 -11.772 -12.044 12.484 1.00 0.00 N ATOM 0 H LYS A 21 -8.878 -7.575 7.310 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.790 -7.963 7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.468 -8.387 9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.919 -7.674 10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.161 -9.675 9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.569 -10.402 8.969 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.295 -10.085 11.443 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.918 -9.427 11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.881 -11.532 10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.293 -12.196 10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.167 -13.005 12.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.780 -12.065 12.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.319 -11.422 13.113 1.00 0.00 H new ATOM 405 N GLY A 22 -11.915 -5.483 7.655 1.00 0.00 N ATOM 406 CA GLY A 22 -12.087 -4.047 7.780 1.00 0.00 C ATOM 407 C GLY A 22 -10.874 -3.274 7.302 1.00 0.00 C ATOM 408 O GLY A 22 -10.718 -3.028 6.106 1.00 0.00 O ATOM 0 H GLY A 22 -12.610 -5.948 7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.960 -3.738 7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.286 -3.797 8.822 1.00 0.00 H new ATOM 412 N ARG A 23 -10.013 -2.889 8.239 1.00 0.00 N ATOM 413 CA ARG A 23 -8.810 -2.136 7.907 1.00 0.00 C ATOM 414 C ARG A 23 -7.558 -2.884 8.361 1.00 0.00 C ATOM 415 O ARG A 23 -6.486 -2.295 8.499 1.00 0.00 O ATOM 416 CB ARG A 23 -8.853 -0.752 8.554 1.00 0.00 C ATOM 417 CG ARG A 23 -10.057 0.078 8.139 1.00 0.00 C ATOM 418 CD ARG A 23 -9.742 1.565 8.154 1.00 0.00 C ATOM 419 NE ARG A 23 -10.924 2.372 8.447 1.00 0.00 N ATOM 420 CZ ARG A 23 -11.568 2.338 9.608 1.00 0.00 C ATOM 421 NH1 ARG A 23 -11.147 1.540 10.580 1.00 0.00 N ATOM 422 NH2 ARG A 23 -12.636 3.102 9.799 1.00 0.00 N ATOM 0 H ARG A 23 -10.127 -3.086 9.233 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.771 -2.021 6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.858 -0.867 9.638 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.943 -0.211 8.295 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.376 -0.217 7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.890 -0.125 8.812 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.973 1.765 8.900 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.333 1.859 7.187 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.274 2.996 7.720 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.327 0.951 10.437 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.643 1.516 11.471 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.963 3.716 9.054 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.130 3.075 10.691 1.00 0.00 H new ATOM 436 N THR A 24 -7.704 -4.184 8.594 1.00 0.00 N ATOM 437 CA THR A 24 -6.589 -5.011 9.035 1.00 0.00 C ATOM 438 C THR A 24 -6.283 -6.109 8.022 1.00 0.00 C ATOM 439 O THR A 24 -7.175 -6.848 7.606 1.00 0.00 O ATOM 440 CB THR A 24 -6.874 -5.656 10.404 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.200 -4.645 11.364 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.672 -6.453 10.888 1.00 0.00 C ATOM 0 H THR A 24 -8.585 -4.687 8.484 1.00 0.00 H new ATOM 0 HA THR A 24 -5.725 -4.353 9.125 1.00 0.00 H new ATOM 0 HB THR A 24 -7.719 -6.335 10.291 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.381 -5.064 12.231 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.897 -6.899 11.857 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.445 -7.241 10.170 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.812 -5.791 10.985 1.00 0.00 H new ATOM 450 N VAL A 25 -5.017 -6.212 7.630 1.00 0.00 N ATOM 451 CA VAL A 25 -4.594 -7.221 6.667 1.00 0.00 C ATOM 452 C VAL A 25 -3.842 -8.355 7.353 1.00 0.00 C ATOM 453 O VAL A 25 -2.831 -8.127 8.020 1.00 0.00 O ATOM 454 CB VAL A 25 -3.698 -6.612 5.573 1.00 0.00 C ATOM 455 CG1 VAL A 25 -3.225 -7.689 4.608 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.438 -5.509 4.831 1.00 0.00 C ATOM 0 H VAL A 25 -4.266 -5.608 7.965 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.499 -7.617 6.206 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.821 -6.174 6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.593 -7.239 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.655 -8.441 5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.088 -8.159 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.790 -5.090 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.334 -5.921 4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.721 -4.725 5.533 1.00 0.00 H new ATOM 466 N ILE A 26 -4.338 -9.574 7.185 1.00 0.00 N ATOM 467 CA ILE A 26 -3.710 -10.745 7.788 1.00 0.00 C ATOM 468 C ILE A 26 -3.123 -11.664 6.722 1.00 0.00 C ATOM 469 O ILE A 26 -3.812 -12.063 5.783 1.00 0.00 O ATOM 470 CB ILE A 26 -4.712 -11.543 8.643 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.320 -10.647 9.725 1.00 0.00 C ATOM 472 CG2 ILE A 26 -4.029 -12.750 9.269 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.618 -11.178 10.289 1.00 0.00 C ATOM 0 H ILE A 26 -5.173 -9.779 6.636 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.909 -10.379 8.429 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.516 -11.898 7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.601 -10.532 10.536 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.493 -9.655 9.309 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.749 -13.304 9.870 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.639 -13.396 8.482 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.208 -12.415 9.903 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.991 -10.493 11.050 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.353 -11.267 9.489 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.447 -12.158 10.735 1.00 0.00 H new ATOM 485 N VAL A 27 -1.845 -11.996 6.875 1.00 0.00 N ATOM 486 CA VAL A 27 -1.165 -12.871 5.928 1.00 0.00 C ATOM 487 C VAL A 27 -0.736 -14.174 6.593 1.00 0.00 C ATOM 488 O VAL A 27 -0.163 -14.168 7.683 1.00 0.00 O ATOM 489 CB VAL A 27 0.073 -12.186 5.319 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.771 -13.116 4.339 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.321 -10.882 4.642 1.00 0.00 C ATOM 0 H VAL A 27 -1.260 -11.672 7.645 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.877 -13.090 5.133 1.00 0.00 H new ATOM 0 HB VAL A 27 0.772 -11.956 6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.643 -12.614 3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.088 -14.020 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.083 -13.381 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.565 -10.411 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.039 -11.087 3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.771 -10.213 5.375 1.00 0.00 H new ATOM 501 N LYS A 28 -1.015 -15.291 5.930 1.00 0.00 N ATOM 502 CA LYS A 28 -0.656 -16.603 6.455 1.00 0.00 C ATOM 503 C LYS A 28 0.235 -17.357 5.473 1.00 0.00 C ATOM 504 O LYS A 28 -0.067 -17.441 4.284 1.00 0.00 O ATOM 505 CB LYS A 28 -1.917 -17.420 6.747 1.00 0.00 C ATOM 506 CG LYS A 28 -1.730 -18.457 7.841 1.00 0.00 C ATOM 507 CD LYS A 28 -3.009 -19.237 8.095 1.00 0.00 C ATOM 508 CE LYS A 28 -2.810 -20.302 9.162 1.00 0.00 C ATOM 509 NZ LYS A 28 -1.892 -21.381 8.704 1.00 0.00 N ATOM 0 H LYS A 28 -1.489 -15.314 5.027 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.102 -16.457 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.721 -16.742 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.235 -17.922 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.933 -19.145 7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.415 -17.964 8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.798 -18.552 8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.340 -19.706 7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.408 -19.841 10.064 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.775 -20.734 9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.926 -22.174 9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.187 -21.711 7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.921 -21.012 8.653 1.00 0.00 H new ATOM 523 N GLY A 29 1.334 -17.906 5.980 1.00 0.00 N ATOM 524 CA GLY A 29 2.252 -18.647 5.135 1.00 0.00 C ATOM 525 C GLY A 29 2.778 -19.899 5.807 1.00 0.00 C ATOM 526 O GLY A 29 2.688 -20.060 7.025 1.00 0.00 O ATOM 0 H GLY A 29 1.605 -17.851 6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.747 -18.921 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.090 -18.005 4.864 1.00 0.00 H new ATOM 530 N PRO A 30 3.341 -20.814 5.005 1.00 0.00 N ATOM 531 CA PRO A 30 3.895 -22.075 5.509 1.00 0.00 C ATOM 532 C PRO A 30 5.165 -21.866 6.325 1.00 0.00 C ATOM 533 O PRO A 30 5.757 -22.821 6.827 1.00 0.00 O ATOM 534 CB PRO A 30 4.203 -22.862 4.232 1.00 0.00 C ATOM 535 CG PRO A 30 4.404 -21.822 3.185 1.00 0.00 C ATOM 536 CD PRO A 30 3.482 -20.690 3.545 1.00 0.00 C ATOM 0 HA PRO A 30 3.205 -22.582 6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.093 -23.479 4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.383 -23.532 3.972 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.441 -21.488 3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.172 -22.215 2.195 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.902 -19.725 3.263 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.520 -20.779 3.040 1.00 0.00 H new ATOM 544 N ARG A 31 5.580 -20.610 6.454 1.00 0.00 N ATOM 545 CA ARG A 31 6.782 -20.275 7.209 1.00 0.00 C ATOM 546 C ARG A 31 6.440 -19.418 8.424 1.00 0.00 C ATOM 547 O ARG A 31 7.289 -19.163 9.276 1.00 0.00 O ATOM 548 CB ARG A 31 7.782 -19.539 6.317 1.00 0.00 C ATOM 549 CG ARG A 31 8.164 -20.310 5.064 1.00 0.00 C ATOM 550 CD ARG A 31 9.139 -21.434 5.377 1.00 0.00 C ATOM 551 NE ARG A 31 8.457 -22.631 5.863 1.00 0.00 N ATOM 552 CZ ARG A 31 9.069 -23.790 6.076 1.00 0.00 C ATOM 553 NH1 ARG A 31 10.369 -23.909 5.847 1.00 0.00 N ATOM 554 NH2 ARG A 31 8.380 -24.833 6.518 1.00 0.00 N ATOM 0 H ARG A 31 5.102 -19.807 6.045 1.00 0.00 H new ATOM 0 HA ARG A 31 7.232 -21.204 7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.358 -18.578 6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.683 -19.329 6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.267 -20.723 4.602 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.612 -19.630 4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.708 -21.680 4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.854 -21.095 6.126 1.00 0.00 H new ATOM 0 HE ARG A 31 7.456 -22.573 6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.902 -23.109 5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.836 -24.801 6.012 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.379 -24.745 6.695 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.851 -25.723 6.681 1.00 0.00 H new ATOM 568 N GLY A 32 5.188 -18.974 8.495 1.00 0.00 N ATOM 569 CA GLY A 32 4.755 -18.150 9.608 1.00 0.00 C ATOM 570 C GLY A 32 3.530 -17.322 9.275 1.00 0.00 C ATOM 571 O GLY A 32 3.062 -17.321 8.136 1.00 0.00 O ATOM 0 H GLY A 32 4.466 -19.171 7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.537 -18.788 10.465 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.568 -17.487 9.903 1.00 0.00 H new ATOM 575 N THR A 33 3.006 -16.615 10.272 1.00 0.00 N ATOM 576 CA THR A 33 1.826 -15.782 10.080 1.00 0.00 C ATOM 577 C THR A 33 2.109 -14.333 10.459 1.00 0.00 C ATOM 578 O THR A 33 2.492 -14.041 11.593 1.00 0.00 O ATOM 579 CB THR A 33 0.634 -16.296 10.909 1.00 0.00 C ATOM 580 OG1 THR A 33 0.410 -17.683 10.637 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.625 -15.502 10.597 1.00 0.00 C ATOM 0 H THR A 33 3.381 -16.603 11.221 1.00 0.00 H new ATOM 0 HA THR A 33 1.571 -15.834 9.022 1.00 0.00 H new ATOM 0 HB THR A 33 0.872 -16.168 11.965 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.348 -18.002 11.169 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.453 -15.883 11.194 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.460 -14.451 10.834 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.865 -15.602 9.538 1.00 0.00 H new ATOM 589 N LEU A 34 1.916 -13.428 9.506 1.00 0.00 N ATOM 590 CA LEU A 34 2.150 -12.008 9.742 1.00 0.00 C ATOM 591 C LEU A 34 0.916 -11.186 9.381 1.00 0.00 C ATOM 592 O LEU A 34 0.292 -11.408 8.343 1.00 0.00 O ATOM 593 CB LEU A 34 3.353 -11.526 8.928 1.00 0.00 C ATOM 594 CG LEU A 34 4.617 -12.381 9.030 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.623 -11.975 7.964 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.230 -12.263 10.417 1.00 0.00 C ATOM 0 H LEU A 34 1.598 -13.652 8.563 1.00 0.00 H new ATOM 0 HA LEU A 34 2.359 -11.871 10.803 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.059 -11.471 7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.598 -10.512 9.244 1.00 0.00 H new ATOM 0 HG LEU A 34 4.343 -13.423 8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.516 -12.594 8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.182 -12.112 6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.893 -10.928 8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.128 -12.878 10.471 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.490 -11.223 10.613 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.512 -12.604 11.163 1.00 0.00 H new ATOM 608 N ARG A 35 0.573 -10.234 10.243 1.00 0.00 N ATOM 609 CA ARG A 35 -0.585 -9.378 10.015 1.00 0.00 C ATOM 610 C ARG A 35 -0.269 -7.929 10.372 1.00 0.00 C ATOM 611 O ARG A 35 0.621 -7.658 11.179 1.00 0.00 O ATOM 612 CB ARG A 35 -1.778 -9.869 10.837 1.00 0.00 C ATOM 613 CG ARG A 35 -1.661 -9.564 12.322 1.00 0.00 C ATOM 614 CD ARG A 35 -2.431 -10.573 13.159 1.00 0.00 C ATOM 615 NE ARG A 35 -2.148 -10.430 14.585 1.00 0.00 N ATOM 616 CZ ARG A 35 -2.800 -11.093 15.534 1.00 0.00 C ATOM 617 NH1 ARG A 35 -3.767 -11.940 15.210 1.00 0.00 N ATOM 618 NH2 ARG A 35 -2.485 -10.909 16.810 1.00 0.00 N ATOM 0 H ARG A 35 1.081 -10.036 11.105 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.838 -9.426 8.956 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.688 -9.410 10.451 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.882 -10.946 10.703 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.611 -9.572 12.615 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.039 -8.561 12.520 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.500 -10.446 12.987 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.174 -11.582 12.838 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.409 -9.786 14.868 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.012 -12.084 14.230 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.266 -12.448 15.940 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.742 -10.258 17.063 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.986 -11.419 17.538 1.00 0.00 H new ATOM 632 N ARG A 36 -1.002 -7.002 9.765 1.00 0.00 N ATOM 633 CA ARG A 36 -0.799 -5.580 10.018 1.00 0.00 C ATOM 634 C ARG A 36 -2.135 -4.857 10.162 1.00 0.00 C ATOM 635 O ARG A 36 -3.116 -5.209 9.507 1.00 0.00 O ATOM 636 CB ARG A 36 0.014 -4.951 8.885 1.00 0.00 C ATOM 637 CG ARG A 36 0.742 -3.680 9.292 1.00 0.00 C ATOM 638 CD ARG A 36 2.062 -3.988 9.981 1.00 0.00 C ATOM 639 NE ARG A 36 1.870 -4.422 11.362 1.00 0.00 N ATOM 640 CZ ARG A 36 1.699 -3.584 12.379 1.00 0.00 C ATOM 641 NH1 ARG A 36 1.695 -2.276 12.170 1.00 0.00 N ATOM 642 NH2 ARG A 36 1.530 -4.057 13.608 1.00 0.00 N ATOM 0 H ARG A 36 -1.742 -7.210 9.094 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.248 -5.477 10.953 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.742 -5.678 8.525 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.652 -4.727 8.052 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.926 -3.067 8.410 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.110 -3.096 9.960 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.588 -4.765 9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.695 -3.101 9.964 1.00 0.00 H new ATOM 0 HE ARG A 36 1.867 -5.423 11.557 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.823 -1.910 11.227 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.564 -1.635 12.952 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.531 -5.064 13.772 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.399 -3.414 14.389 1.00 0.00 H new ATOM 656 N ASP A 37 -2.164 -3.846 11.023 1.00 0.00 N ATOM 657 CA ASP A 37 -3.379 -3.073 11.253 1.00 0.00 C ATOM 658 C ASP A 37 -3.223 -1.648 10.732 1.00 0.00 C ATOM 659 O ASP A 37 -2.253 -0.960 11.056 1.00 0.00 O ATOM 660 CB ASP A 37 -3.721 -3.051 12.744 1.00 0.00 C ATOM 661 CG ASP A 37 -4.659 -1.916 13.106 1.00 0.00 C ATOM 662 OD1 ASP A 37 -4.262 -0.744 12.943 1.00 0.00 O ATOM 663 OD2 ASP A 37 -5.790 -2.201 13.552 1.00 0.00 O ATOM 0 H ASP A 37 -1.360 -3.543 11.573 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.193 -3.552 10.709 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.179 -4.000 13.023 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.802 -2.958 13.323 1.00 0.00 H new ATOM 668 N PHE A 38 -4.182 -1.210 9.923 1.00 0.00 N ATOM 669 CA PHE A 38 -4.150 0.132 9.356 1.00 0.00 C ATOM 670 C PHE A 38 -5.446 0.881 9.655 1.00 0.00 C ATOM 671 O PHE A 38 -6.019 1.526 8.778 1.00 0.00 O ATOM 672 CB PHE A 38 -3.923 0.065 7.844 1.00 0.00 C ATOM 673 CG PHE A 38 -2.762 -0.802 7.450 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.461 -0.365 7.633 1.00 0.00 C ATOM 675 CD2 PHE A 38 -2.973 -2.055 6.897 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.391 -1.160 7.271 1.00 0.00 C ATOM 677 CE2 PHE A 38 -1.906 -2.855 6.533 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.613 -2.408 6.721 1.00 0.00 C ATOM 0 H PHE A 38 -4.991 -1.766 9.646 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.324 0.674 9.817 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.827 -0.312 7.365 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.758 1.073 7.464 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.281 0.609 8.064 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.982 -2.410 6.749 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.619 -0.806 7.418 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.084 -3.829 6.102 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.222 -3.032 6.439 1.00 0.00 H new ATOM 688 N ASN A 39 -5.902 0.788 10.899 1.00 0.00 N ATOM 689 CA ASN A 39 -7.132 1.453 11.314 1.00 0.00 C ATOM 690 C ASN A 39 -6.872 2.922 11.636 1.00 0.00 C ATOM 691 O ASN A 39 -7.554 3.811 11.124 1.00 0.00 O ATOM 692 CB ASN A 39 -7.730 0.751 12.535 1.00 0.00 C ATOM 693 CG ASN A 39 -8.768 1.602 13.240 1.00 0.00 C ATOM 694 OD1 ASN A 39 -9.970 1.446 13.020 1.00 0.00 O ATOM 695 ND2 ASN A 39 -8.308 2.508 14.096 1.00 0.00 N ATOM 0 H ASN A 39 -5.439 0.259 11.638 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.842 1.399 10.489 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.185 -0.189 12.223 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.932 0.502 13.235 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.959 3.109 14.602 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.304 2.603 14.247 1.00 0.00 H new ATOM 702 N HIS A 40 -5.882 3.170 12.486 1.00 0.00 N ATOM 703 CA HIS A 40 -5.531 4.532 12.876 1.00 0.00 C ATOM 704 C HIS A 40 -5.447 5.441 11.653 1.00 0.00 C ATOM 705 O HIS A 40 -5.538 6.664 11.770 1.00 0.00 O ATOM 706 CB HIS A 40 -4.199 4.542 13.627 1.00 0.00 C ATOM 707 CG HIS A 40 -3.126 3.741 12.957 1.00 0.00 C ATOM 708 ND1 HIS A 40 -3.111 2.362 12.948 1.00 0.00 N ATOM 709 CD2 HIS A 40 -2.029 4.132 12.267 1.00 0.00 C ATOM 710 CE1 HIS A 40 -2.050 1.939 12.285 1.00 0.00 C ATOM 711 NE2 HIS A 40 -1.377 2.993 11.860 1.00 0.00 N ATOM 0 H HIS A 40 -5.308 2.446 12.919 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.313 4.910 13.535 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.859 5.572 13.733 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.356 4.153 14.633 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.723 5.149 12.073 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.779 0.907 12.119 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.514 2.966 11.318 1.00 0.00 H new ATOM 719 N ILE A 41 -5.270 4.837 10.483 1.00 0.00 N ATOM 720 CA ILE A 41 -5.173 5.593 9.241 1.00 0.00 C ATOM 721 C ILE A 41 -6.462 5.486 8.432 1.00 0.00 C ATOM 722 O ILE A 41 -6.990 4.395 8.228 1.00 0.00 O ATOM 723 CB ILE A 41 -3.995 5.106 8.377 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.698 5.123 9.187 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.860 5.971 7.131 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.591 4.297 8.572 1.00 0.00 C ATOM 0 H ILE A 41 -5.191 3.826 10.369 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.004 6.634 9.516 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.192 4.080 8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.357 6.153 9.290 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.902 4.752 10.192 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.023 5.615 6.530 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.778 5.912 6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.682 7.006 7.424 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.702 4.355 9.200 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.912 3.258 8.494 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.360 4.681 7.578 1.00 0.00 H new ATOM 738 N ASN A 42 -6.960 6.629 7.972 1.00 0.00 N ATOM 739 CA ASN A 42 -8.187 6.665 7.183 1.00 0.00 C ATOM 740 C ASN A 42 -7.877 6.577 5.691 1.00 0.00 C ATOM 741 O ASN A 42 -7.669 7.594 5.028 1.00 0.00 O ATOM 742 CB ASN A 42 -8.969 7.946 7.477 1.00 0.00 C ATOM 743 CG ASN A 42 -9.883 7.802 8.680 1.00 0.00 C ATOM 744 OD1 ASN A 42 -9.836 8.609 9.608 1.00 0.00 O ATOM 745 ND2 ASN A 42 -10.719 6.772 8.666 1.00 0.00 N ATOM 0 H ASN A 42 -6.534 7.542 8.131 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.794 5.804 7.462 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.270 8.764 7.651 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.562 8.215 6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.358 6.624 9.447 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.722 6.129 7.875 1.00 0.00 H new ATOM 752 N VAL A 43 -7.848 5.354 5.171 1.00 0.00 N ATOM 753 CA VAL A 43 -7.566 5.132 3.757 1.00 0.00 C ATOM 754 C VAL A 43 -8.684 4.340 3.091 1.00 0.00 C ATOM 755 O VAL A 43 -9.693 4.023 3.720 1.00 0.00 O ATOM 756 CB VAL A 43 -6.234 4.383 3.562 1.00 0.00 C ATOM 757 CG1 VAL A 43 -5.063 5.250 4.004 1.00 0.00 C ATOM 758 CG2 VAL A 43 -6.248 3.066 4.320 1.00 0.00 C ATOM 0 H VAL A 43 -8.016 4.502 5.707 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.494 6.114 3.290 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.113 4.164 2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.131 4.704 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.044 6.165 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.175 5.503 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.299 2.550 4.171 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.393 3.259 5.383 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.062 2.442 3.951 1.00 0.00 H new ATOM 768 N GLU A 44 -8.497 4.020 1.814 1.00 0.00 N ATOM 769 CA GLU A 44 -9.491 3.264 1.062 1.00 0.00 C ATOM 770 C GLU A 44 -8.921 1.928 0.597 1.00 0.00 C ATOM 771 O GLU A 44 -7.821 1.868 0.047 1.00 0.00 O ATOM 772 CB GLU A 44 -9.976 4.073 -0.143 1.00 0.00 C ATOM 773 CG GLU A 44 -10.883 5.233 0.227 1.00 0.00 C ATOM 774 CD GLU A 44 -12.309 4.795 0.502 1.00 0.00 C ATOM 775 OE1 GLU A 44 -12.562 4.256 1.600 1.00 0.00 O ATOM 776 OE2 GLU A 44 -13.171 4.991 -0.380 1.00 0.00 O ATOM 0 H GLU A 44 -7.666 4.273 1.279 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.336 3.068 1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.111 4.457 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.509 3.410 -0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.484 5.734 1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.881 5.963 -0.582 1.00 0.00 H new ATOM 783 N LEU A 45 -9.676 0.858 0.820 1.00 0.00 N ATOM 784 CA LEU A 45 -9.247 -0.478 0.425 1.00 0.00 C ATOM 785 C LEU A 45 -10.420 -1.290 -0.112 1.00 0.00 C ATOM 786 O LEU A 45 -11.568 -1.078 0.282 1.00 0.00 O ATOM 787 CB LEU A 45 -8.610 -1.204 1.612 1.00 0.00 C ATOM 788 CG LEU A 45 -7.524 -0.435 2.364 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.233 -1.093 3.704 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.256 -0.345 1.526 1.00 0.00 C ATOM 0 H LEU A 45 -10.589 0.890 1.273 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.507 -0.374 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.398 -1.464 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.182 -2.140 1.253 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.886 0.576 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.457 -0.531 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.140 -1.105 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.893 -2.116 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.494 0.206 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.892 -1.349 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.473 0.173 0.592 1.00 0.00 H new ATOM 802 N SER A 46 -10.126 -2.223 -1.013 1.00 0.00 N ATOM 803 CA SER A 46 -11.157 -3.066 -1.606 1.00 0.00 C ATOM 804 C SER A 46 -10.616 -4.464 -1.892 1.00 0.00 C ATOM 805 O SER A 46 -9.412 -4.653 -2.069 1.00 0.00 O ATOM 806 CB SER A 46 -11.682 -2.435 -2.896 1.00 0.00 C ATOM 807 OG SER A 46 -12.358 -1.219 -2.631 1.00 0.00 O ATOM 0 H SER A 46 -9.182 -2.414 -1.348 1.00 0.00 H new ATOM 0 HA SER A 46 -11.977 -3.151 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.852 -2.252 -3.579 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.358 -3.129 -3.395 1.00 0.00 H new ATOM 0 HG SER A 46 -13.154 -1.156 -3.200 1.00 0.00 H new ATOM 813 N LEU A 47 -11.516 -5.441 -1.936 1.00 0.00 N ATOM 814 CA LEU A 47 -11.131 -6.823 -2.202 1.00 0.00 C ATOM 815 C LEU A 47 -11.468 -7.217 -3.637 1.00 0.00 C ATOM 816 O LEU A 47 -12.556 -6.922 -4.134 1.00 0.00 O ATOM 817 CB LEU A 47 -11.835 -7.766 -1.224 1.00 0.00 C ATOM 818 CG LEU A 47 -11.145 -9.105 -0.969 1.00 0.00 C ATOM 819 CD1 LEU A 47 -11.564 -9.674 0.378 1.00 0.00 C ATOM 820 CD2 LEU A 47 -11.459 -10.090 -2.086 1.00 0.00 C ATOM 0 H LEU A 47 -12.516 -5.302 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.053 -6.906 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.947 -7.250 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.839 -7.963 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.068 -8.938 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.062 -10.628 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.287 -8.977 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.643 -9.825 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.959 -11.038 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.536 -10.252 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.108 -9.687 -3.036 1.00 0.00 H new ATOM 832 N LEU A 48 -10.529 -7.884 -4.298 1.00 0.00 N ATOM 833 CA LEU A 48 -10.727 -8.320 -5.675 1.00 0.00 C ATOM 834 C LEU A 48 -10.322 -9.782 -5.847 1.00 0.00 C ATOM 835 O LEU A 48 -9.301 -10.220 -5.319 1.00 0.00 O ATOM 836 CB LEU A 48 -9.919 -7.440 -6.631 1.00 0.00 C ATOM 837 CG LEU A 48 -10.071 -5.931 -6.442 1.00 0.00 C ATOM 838 CD1 LEU A 48 -9.214 -5.178 -7.448 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.530 -5.521 -6.571 1.00 0.00 C ATOM 0 H LEU A 48 -9.623 -8.135 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.787 -8.225 -5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.865 -7.695 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.206 -7.689 -7.653 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.729 -5.674 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.335 -4.105 -7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.167 -5.448 -7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.525 -5.441 -8.459 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.619 -4.443 -6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.898 -5.792 -7.561 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.120 -6.033 -5.811 1.00 0.00 H new ATOM 851 N GLY A 49 -11.130 -10.530 -6.592 1.00 0.00 N ATOM 852 CA GLY A 49 -10.838 -11.933 -6.823 1.00 0.00 C ATOM 853 C GLY A 49 -11.335 -12.414 -8.172 1.00 0.00 C ATOM 854 O GLY A 49 -11.727 -13.572 -8.320 1.00 0.00 O ATOM 0 H GLY A 49 -11.981 -10.190 -7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.762 -12.092 -6.758 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.297 -12.531 -6.036 1.00 0.00 H new ATOM 858 N LYS A 50 -11.320 -11.524 -9.158 1.00 0.00 N ATOM 859 CA LYS A 50 -11.773 -11.864 -10.502 1.00 0.00 C ATOM 860 C LYS A 50 -11.142 -13.170 -10.974 1.00 0.00 C ATOM 861 O LYS A 50 -11.839 -14.079 -11.428 1.00 0.00 O ATOM 862 CB LYS A 50 -11.428 -10.736 -11.478 1.00 0.00 C ATOM 863 CG LYS A 50 -12.354 -10.668 -12.680 1.00 0.00 C ATOM 864 CD LYS A 50 -11.875 -9.645 -13.695 1.00 0.00 C ATOM 865 CE LYS A 50 -12.433 -9.932 -15.081 1.00 0.00 C ATOM 866 NZ LYS A 50 -11.551 -10.848 -15.855 1.00 0.00 N ATOM 0 H LYS A 50 -10.999 -10.562 -9.052 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.855 -11.994 -10.473 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.464 -9.784 -10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.404 -10.868 -11.826 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.413 -11.649 -13.151 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.361 -10.411 -12.351 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.179 -8.647 -13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.786 -9.650 -13.732 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.425 -10.375 -14.989 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.551 -8.995 -15.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.966 -11.019 -16.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.612 -10.415 -15.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.458 -11.751 -15.348 1.00 0.00 H new ATOM 880 N LYS A 51 -9.822 -13.258 -10.864 1.00 0.00 N ATOM 881 CA LYS A 51 -9.097 -14.454 -11.278 1.00 0.00 C ATOM 882 C LYS A 51 -8.428 -15.125 -10.083 1.00 0.00 C ATOM 883 O LYS A 51 -8.518 -16.339 -9.908 1.00 0.00 O ATOM 884 CB LYS A 51 -8.045 -14.099 -12.333 1.00 0.00 C ATOM 885 CG LYS A 51 -6.986 -13.131 -11.834 1.00 0.00 C ATOM 886 CD LYS A 51 -6.059 -12.694 -12.955 1.00 0.00 C ATOM 887 CE LYS A 51 -4.886 -11.883 -12.424 1.00 0.00 C ATOM 888 NZ LYS A 51 -3.841 -12.752 -11.816 1.00 0.00 N ATOM 0 H LYS A 51 -9.231 -12.515 -10.491 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.814 -15.152 -11.710 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.559 -15.014 -12.671 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.544 -13.664 -13.199 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.468 -12.256 -11.397 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.404 -13.603 -11.042 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.686 -13.572 -13.483 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.616 -12.099 -13.678 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.448 -11.303 -13.236 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.244 -11.171 -11.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.059 -12.162 -11.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.252 -13.287 -11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.481 -13.415 -12.532 1.00 0.00 H new ATOM 902 N LYS A 52 -7.755 -14.325 -9.261 1.00 0.00 N ATOM 903 CA LYS A 52 -7.072 -14.840 -8.081 1.00 0.00 C ATOM 904 C LYS A 52 -7.112 -13.826 -6.943 1.00 0.00 C ATOM 905 O LYS A 52 -7.270 -12.626 -7.172 1.00 0.00 O ATOM 906 CB LYS A 52 -5.619 -15.187 -8.417 1.00 0.00 C ATOM 907 CG LYS A 52 -5.446 -16.581 -8.996 1.00 0.00 C ATOM 908 CD LYS A 52 -5.394 -17.636 -7.903 1.00 0.00 C ATOM 909 CE LYS A 52 -5.110 -19.017 -8.474 1.00 0.00 C ATOM 910 NZ LYS A 52 -3.654 -19.235 -8.698 1.00 0.00 N ATOM 0 H LYS A 52 -7.669 -13.317 -9.391 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.590 -15.743 -7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.235 -14.456 -9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.015 -15.100 -7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.271 -16.799 -9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.530 -16.620 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.622 -17.374 -7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.342 -17.651 -7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.491 -19.777 -7.792 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.645 -19.138 -9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.501 -20.187 -9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.296 -18.525 -9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.147 -19.145 -7.795 1.00 0.00 H new ATOM 924 N LYS A 53 -6.969 -14.314 -5.715 1.00 0.00 N ATOM 925 CA LYS A 53 -6.986 -13.449 -4.541 1.00 0.00 C ATOM 926 C LYS A 53 -6.093 -12.230 -4.750 1.00 0.00 C ATOM 927 O LYS A 53 -4.868 -12.340 -4.759 1.00 0.00 O ATOM 928 CB LYS A 53 -6.526 -14.226 -3.305 1.00 0.00 C ATOM 929 CG LYS A 53 -7.659 -14.914 -2.562 1.00 0.00 C ATOM 930 CD LYS A 53 -7.356 -15.042 -1.079 1.00 0.00 C ATOM 931 CE LYS A 53 -6.589 -16.320 -0.775 1.00 0.00 C ATOM 932 NZ LYS A 53 -5.118 -16.126 -0.895 1.00 0.00 N ATOM 0 H LYS A 53 -6.840 -15.304 -5.507 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.009 -13.105 -4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.794 -14.975 -3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.019 -13.542 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.581 -14.349 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.826 -15.904 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.775 -14.181 -0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.288 -15.033 -0.514 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.830 -16.657 0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.908 -17.107 -1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.627 -16.975 -0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.870 -15.962 -1.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.829 -15.305 -0.327 1.00 0.00 H new ATOM 946 N ARG A 54 -6.717 -11.069 -4.914 1.00 0.00 N ATOM 947 CA ARG A 54 -5.979 -9.828 -5.122 1.00 0.00 C ATOM 948 C ARG A 54 -6.439 -8.751 -4.143 1.00 0.00 C ATOM 949 O ARG A 54 -7.611 -8.696 -3.770 1.00 0.00 O ATOM 950 CB ARG A 54 -6.160 -9.337 -6.560 1.00 0.00 C ATOM 951 CG ARG A 54 -5.379 -10.146 -7.582 1.00 0.00 C ATOM 952 CD ARG A 54 -4.976 -9.295 -8.776 1.00 0.00 C ATOM 953 NE ARG A 54 -4.063 -8.219 -8.397 1.00 0.00 N ATOM 954 CZ ARG A 54 -3.493 -7.397 -9.272 1.00 0.00 C ATOM 955 NH1 ARG A 54 -3.740 -7.527 -10.568 1.00 0.00 N ATOM 956 NH2 ARG A 54 -2.675 -6.442 -8.848 1.00 0.00 N ATOM 0 H ARG A 54 -7.731 -10.961 -4.907 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.922 -10.029 -4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.219 -9.370 -6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.850 -8.294 -6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.487 -10.563 -7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.984 -10.987 -7.921 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.501 -9.926 -9.527 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.868 -8.869 -9.235 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.852 -8.092 -7.407 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.369 -8.260 -10.896 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.301 -6.894 -11.237 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.484 -6.339 -7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.237 -5.811 -9.519 1.00 0.00 H new ATOM 970 N LEU A 55 -5.509 -7.897 -3.731 1.00 0.00 N ATOM 971 CA LEU A 55 -5.818 -6.822 -2.796 1.00 0.00 C ATOM 972 C LEU A 55 -5.754 -5.463 -3.487 1.00 0.00 C ATOM 973 O LEU A 55 -4.790 -5.158 -4.189 1.00 0.00 O ATOM 974 CB LEU A 55 -4.846 -6.852 -1.614 1.00 0.00 C ATOM 975 CG LEU A 55 -4.825 -5.604 -0.731 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.188 -5.378 -0.093 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.747 -5.725 0.337 1.00 0.00 C ATOM 0 H LEU A 55 -4.534 -7.928 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.833 -6.975 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.092 -7.711 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.840 -7.016 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.593 -4.743 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.154 -4.485 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.938 -5.246 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.450 -6.240 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.746 -4.828 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.949 -6.596 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.773 -5.837 -0.140 1.00 0.00 H new ATOM 989 N ARG A 56 -6.786 -4.652 -3.282 1.00 0.00 N ATOM 990 CA ARG A 56 -6.847 -3.326 -3.884 1.00 0.00 C ATOM 991 C ARG A 56 -6.528 -2.245 -2.855 1.00 0.00 C ATOM 992 O ARG A 56 -7.249 -2.078 -1.871 1.00 0.00 O ATOM 993 CB ARG A 56 -8.231 -3.078 -4.486 1.00 0.00 C ATOM 994 CG ARG A 56 -8.268 -1.926 -5.477 1.00 0.00 C ATOM 995 CD ARG A 56 -9.691 -1.609 -5.910 1.00 0.00 C ATOM 996 NE ARG A 56 -10.322 -0.623 -5.037 1.00 0.00 N ATOM 997 CZ ARG A 56 -11.491 -0.050 -5.301 1.00 0.00 C ATOM 998 NH1 ARG A 56 -12.152 -0.363 -6.407 1.00 0.00 N ATOM 999 NH2 ARG A 56 -12.002 0.838 -4.457 1.00 0.00 N ATOM 0 H ARG A 56 -7.592 -4.890 -2.703 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.100 -3.281 -4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.569 -3.986 -4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.937 -2.876 -3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.818 -1.042 -5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.668 -2.177 -6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.683 -1.235 -6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.282 -2.525 -5.910 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.839 -0.360 -4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.763 -1.045 -7.058 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.049 0.079 -6.607 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.497 1.081 -3.605 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.900 1.277 -4.661 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.442 -1.515 -3.088 1.00 0.00 N ATOM 1014 CA VAL A 57 -5.028 -0.451 -2.182 1.00 0.00 C ATOM 1015 C VAL A 57 -5.174 0.918 -2.837 1.00 0.00 C ATOM 1016 O VAL A 57 -4.546 1.198 -3.859 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.567 -0.636 -1.728 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -3.126 0.529 -0.856 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -3.403 -1.957 -0.990 1.00 0.00 C ATOM 0 H VAL A 57 -4.833 -1.641 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.682 -0.506 -1.312 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.930 -0.657 -2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.092 0.380 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.205 1.457 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.765 0.586 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.366 -2.072 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.051 -1.967 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.675 -2.780 -1.651 1.00 0.00 H new ATOM 1029 N ASP A 58 -6.007 1.766 -2.245 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.235 3.107 -2.770 1.00 0.00 C ATOM 1031 C ASP A 58 -6.126 4.150 -1.662 1.00 0.00 C ATOM 1032 O ASP A 58 -6.864 4.106 -0.678 1.00 0.00 O ATOM 1033 CB ASP A 58 -7.611 3.191 -3.433 1.00 0.00 C ATOM 1034 CG ASP A 58 -7.913 1.980 -4.295 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -7.723 0.845 -3.811 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -8.338 2.169 -5.453 1.00 0.00 O ATOM 0 H ASP A 58 -6.536 1.548 -1.401 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.468 3.314 -3.516 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.377 3.286 -2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.662 4.091 -4.045 1.00 0.00 H new ATOM 1041 N LYS A 59 -5.201 5.089 -1.830 1.00 0.00 N ATOM 1042 CA LYS A 59 -4.993 6.144 -0.845 1.00 0.00 C ATOM 1043 C LYS A 59 -5.800 7.388 -1.203 1.00 0.00 C ATOM 1044 O LYS A 59 -6.360 7.483 -2.296 1.00 0.00 O ATOM 1045 CB LYS A 59 -3.508 6.498 -0.751 1.00 0.00 C ATOM 1046 CG LYS A 59 -2.769 5.736 0.336 1.00 0.00 C ATOM 1047 CD LYS A 59 -2.896 4.233 0.150 1.00 0.00 C ATOM 1048 CE LYS A 59 -4.071 3.672 0.935 1.00 0.00 C ATOM 1049 NZ LYS A 59 -3.820 2.274 1.385 1.00 0.00 N ATOM 0 H LYS A 59 -4.583 5.141 -2.640 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.334 5.775 0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.033 6.296 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.409 7.567 -0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.716 6.017 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.165 6.017 1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.022 4.006 -0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.976 3.746 0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.263 4.304 1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.968 3.699 0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.590 1.659 1.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.917 1.940 0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.778 2.246 2.424 1.00 0.00 H new ATOM 1063 N TRP A 60 -5.855 8.338 -0.278 1.00 0.00 N ATOM 1064 CA TRP A 60 -6.592 9.578 -0.498 1.00 0.00 C ATOM 1065 C TRP A 60 -6.404 10.077 -1.926 1.00 0.00 C ATOM 1066 O TRP A 60 -5.276 10.228 -2.396 1.00 0.00 O ATOM 1067 CB TRP A 60 -6.138 10.649 0.495 1.00 0.00 C ATOM 1068 CG TRP A 60 -6.433 10.299 1.922 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -5.779 9.380 2.693 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -7.460 10.861 2.747 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -6.337 9.338 3.948 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -7.368 10.237 4.007 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -8.443 11.832 2.546 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -8.226 10.553 5.058 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -9.294 12.144 3.590 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -9.181 11.508 4.833 1.00 0.00 C ATOM 0 H TRP A 60 -5.398 8.274 0.632 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.651 9.374 -0.341 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.066 10.808 0.382 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.628 11.592 0.251 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.946 8.776 2.365 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.032 8.735 4.712 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -8.537 12.330 1.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -8.141 10.062 6.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -10.060 12.892 3.445 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.860 11.776 5.629 1.00 0.00 H new ATOM 1087 N TRP A 61 -7.512 10.333 -2.610 1.00 0.00 N ATOM 1088 CA TRP A 61 -7.468 10.817 -3.985 1.00 0.00 C ATOM 1089 C TRP A 61 -7.149 12.307 -4.028 1.00 0.00 C ATOM 1090 O TRP A 61 -8.016 13.144 -3.780 1.00 0.00 O ATOM 1091 CB TRP A 61 -8.801 10.547 -4.686 1.00 0.00 C ATOM 1092 CG TRP A 61 -9.422 9.240 -4.298 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -8.824 8.012 -4.311 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -10.763 9.030 -3.843 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -9.712 7.052 -3.891 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -10.908 7.650 -3.596 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -11.855 9.872 -3.616 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -12.101 7.098 -3.137 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -13.038 9.322 -3.160 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -13.152 7.946 -2.924 1.00 0.00 C ATOM 0 H TRP A 61 -8.453 10.214 -2.235 1.00 0.00 H new ATOM 0 HA TRP A 61 -6.676 10.280 -4.507 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.496 11.354 -4.454 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -8.645 10.561 -5.765 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -7.803 7.824 -4.608 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -9.513 6.055 -3.812 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -11.776 10.934 -3.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -12.193 6.037 -2.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -13.888 9.964 -2.983 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -14.090 7.547 -2.566 1.00 0.00 H new ATOM 1111 N GLY A 62 -5.900 12.631 -4.345 1.00 0.00 N ATOM 1112 CA GLY A 62 -5.489 14.022 -4.415 1.00 0.00 C ATOM 1113 C GLY A 62 -4.078 14.185 -4.944 1.00 0.00 C ATOM 1114 O GLY A 62 -3.794 13.834 -6.088 1.00 0.00 O ATOM 0 H GLY A 62 -5.165 11.956 -4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.179 14.570 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.555 14.467 -3.422 1.00 0.00 H new ATOM 1118 N ASN A 63 -3.192 14.718 -4.109 1.00 0.00 N ATOM 1119 CA ASN A 63 -1.803 14.929 -4.501 1.00 0.00 C ATOM 1120 C ASN A 63 -1.124 13.603 -4.833 1.00 0.00 C ATOM 1121 O ASN A 63 -1.760 12.549 -4.817 1.00 0.00 O ATOM 1122 CB ASN A 63 -1.039 15.640 -3.382 1.00 0.00 C ATOM 1123 CG ASN A 63 -1.291 17.135 -3.370 1.00 0.00 C ATOM 1124 OD1 ASN A 63 -2.390 17.593 -3.685 1.00 0.00 O ATOM 1125 ND2 ASN A 63 -0.272 17.904 -3.004 1.00 0.00 N ATOM 0 H ASN A 63 -3.411 15.012 -3.157 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.794 15.555 -5.393 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.331 15.217 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.029 15.455 -3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.382 18.918 -2.976 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.621 17.481 -2.751 1.00 0.00 H new ATOM 1132 N ARG A 64 0.169 13.665 -5.132 1.00 0.00 N ATOM 1133 CA ARG A 64 0.933 12.470 -5.469 1.00 0.00 C ATOM 1134 C ARG A 64 1.411 11.758 -4.207 1.00 0.00 C ATOM 1135 O ARG A 64 2.349 10.962 -4.247 1.00 0.00 O ATOM 1136 CB ARG A 64 2.132 12.836 -6.345 1.00 0.00 C ATOM 1137 CG ARG A 64 2.690 11.662 -7.135 1.00 0.00 C ATOM 1138 CD ARG A 64 1.730 11.217 -8.226 1.00 0.00 C ATOM 1139 NE ARG A 64 2.380 10.353 -9.207 1.00 0.00 N ATOM 1140 CZ ARG A 64 1.762 9.858 -10.274 1.00 0.00 C ATOM 1141 NH1 ARG A 64 0.485 10.141 -10.496 1.00 0.00 N ATOM 1142 NH2 ARG A 64 2.421 9.078 -11.122 1.00 0.00 N ATOM 0 H ARG A 64 0.710 14.530 -5.148 1.00 0.00 H new ATOM 0 HA ARG A 64 0.280 11.795 -6.022 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.837 13.623 -7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.921 13.246 -5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.644 11.943 -7.581 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.887 10.829 -6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.890 10.687 -7.776 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.321 12.093 -8.729 1.00 0.00 H new ATOM 0 HE ARG A 64 3.362 10.116 -9.066 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.025 10.740 -9.847 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.013 9.760 -11.316 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.403 8.858 -10.955 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.946 8.699 -11.941 1.00 0.00 H new ATOM 1156 N LYS A 65 0.759 12.049 -3.087 1.00 0.00 N ATOM 1157 CA LYS A 65 1.114 11.436 -1.813 1.00 0.00 C ATOM 1158 C LYS A 65 0.804 9.942 -1.820 1.00 0.00 C ATOM 1159 O LYS A 65 1.512 9.149 -1.202 1.00 0.00 O ATOM 1160 CB LYS A 65 0.363 12.118 -0.668 1.00 0.00 C ATOM 1161 CG LYS A 65 0.570 11.449 0.680 1.00 0.00 C ATOM 1162 CD LYS A 65 1.807 11.981 1.383 1.00 0.00 C ATOM 1163 CE LYS A 65 1.831 11.581 2.850 1.00 0.00 C ATOM 1164 NZ LYS A 65 2.770 12.425 3.641 1.00 0.00 N ATOM 0 H LYS A 65 -0.019 12.706 -3.036 1.00 0.00 H new ATOM 0 HA LYS A 65 2.186 11.565 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.685 13.157 -0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.702 12.129 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.306 11.615 1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.664 10.372 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.700 11.601 0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.834 13.068 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.827 11.667 3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.123 10.534 2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.757 12.120 4.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.733 12.324 3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.477 13.421 3.580 1.00 0.00 H new ATOM 1178 N GLU A 66 -0.260 9.568 -2.525 1.00 0.00 N ATOM 1179 CA GLU A 66 -0.663 8.169 -2.613 1.00 0.00 C ATOM 1180 C GLU A 66 0.474 7.309 -3.157 1.00 0.00 C ATOM 1181 O GLU A 66 0.539 6.108 -2.892 1.00 0.00 O ATOM 1182 CB GLU A 66 -1.898 8.027 -3.505 1.00 0.00 C ATOM 1183 CG GLU A 66 -2.033 6.654 -4.142 1.00 0.00 C ATOM 1184 CD GLU A 66 -3.341 6.485 -4.891 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -3.735 7.422 -5.616 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -3.970 5.415 -4.751 1.00 0.00 O ATOM 0 H GLU A 66 -0.857 10.213 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.908 7.823 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.789 8.233 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.857 8.781 -4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.202 6.493 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.960 5.890 -3.368 1.00 0.00 H new ATOM 1193 N LEU A 67 1.366 7.931 -3.918 1.00 0.00 N ATOM 1194 CA LEU A 67 2.501 7.223 -4.501 1.00 0.00 C ATOM 1195 C LEU A 67 3.451 6.730 -3.414 1.00 0.00 C ATOM 1196 O LEU A 67 3.832 5.560 -3.394 1.00 0.00 O ATOM 1197 CB LEU A 67 3.250 8.134 -5.475 1.00 0.00 C ATOM 1198 CG LEU A 67 4.651 7.675 -5.880 1.00 0.00 C ATOM 1199 CD1 LEU A 67 4.582 6.746 -7.083 1.00 0.00 C ATOM 1200 CD2 LEU A 67 5.539 8.874 -6.181 1.00 0.00 C ATOM 0 H LEU A 67 1.326 8.924 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 67 2.119 6.358 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.649 8.240 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.329 9.125 -5.027 1.00 0.00 H new ATOM 0 HG LEU A 67 5.087 7.125 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.589 6.430 -7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.982 5.871 -6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.126 7.271 -7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.532 8.528 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.106 9.451 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.615 9.502 -5.293 1.00 0.00 H new ATOM 1212 N ALA A 68 3.829 7.630 -2.513 1.00 0.00 N ATOM 1213 CA ALA A 68 4.730 7.286 -1.420 1.00 0.00 C ATOM 1214 C ALA A 68 4.054 6.351 -0.423 1.00 0.00 C ATOM 1215 O ALA A 68 4.653 5.381 0.040 1.00 0.00 O ATOM 1216 CB ALA A 68 5.216 8.546 -0.720 1.00 0.00 C ATOM 0 H ALA A 68 3.525 8.604 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 68 5.589 6.764 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.888 8.274 0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.747 9.177 -1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.362 9.092 -0.318 1.00 0.00 H new ATOM 1222 N THR A 69 2.800 6.649 -0.096 1.00 0.00 N ATOM 1223 CA THR A 69 2.042 5.837 0.847 1.00 0.00 C ATOM 1224 C THR A 69 1.776 4.446 0.284 1.00 0.00 C ATOM 1225 O THR A 69 1.829 3.451 1.009 1.00 0.00 O ATOM 1226 CB THR A 69 0.699 6.499 1.207 1.00 0.00 C ATOM 1227 OG1 THR A 69 0.930 7.739 1.885 1.00 0.00 O ATOM 1228 CG2 THR A 69 -0.138 5.583 2.085 1.00 0.00 C ATOM 0 H THR A 69 2.288 7.448 -0.471 1.00 0.00 H new ATOM 0 HA THR A 69 2.648 5.751 1.749 1.00 0.00 H new ATOM 0 HB THR A 69 0.153 6.687 0.283 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.071 8.154 2.109 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.082 6.072 2.326 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.337 4.652 1.554 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.404 5.367 3.006 1.00 0.00 H new ATOM 1236 N VAL A 70 1.489 4.382 -1.011 1.00 0.00 N ATOM 1237 CA VAL A 70 1.215 3.111 -1.672 1.00 0.00 C ATOM 1238 C VAL A 70 2.453 2.221 -1.685 1.00 0.00 C ATOM 1239 O VAL A 70 2.361 1.010 -1.477 1.00 0.00 O ATOM 1240 CB VAL A 70 0.734 3.323 -3.120 1.00 0.00 C ATOM 1241 CG1 VAL A 70 0.858 2.035 -3.918 1.00 0.00 C ATOM 1242 CG2 VAL A 70 -0.699 3.834 -3.136 1.00 0.00 C ATOM 0 H VAL A 70 1.440 5.195 -1.624 1.00 0.00 H new ATOM 0 HA VAL A 70 0.425 2.622 -1.103 1.00 0.00 H new ATOM 0 HB VAL A 70 1.369 4.075 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.514 2.204 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.900 1.717 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.249 1.259 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.022 3.978 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.350 3.107 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.753 4.783 -2.603 1.00 0.00 H new ATOM 1252 N ARG A 71 3.609 2.827 -1.929 1.00 0.00 N ATOM 1253 CA ARG A 71 4.866 2.090 -1.968 1.00 0.00 C ATOM 1254 C ARG A 71 5.205 1.519 -0.595 1.00 0.00 C ATOM 1255 O ARG A 71 5.689 0.392 -0.480 1.00 0.00 O ATOM 1256 CB ARG A 71 5.999 2.997 -2.450 1.00 0.00 C ATOM 1257 CG ARG A 71 6.148 3.036 -3.962 1.00 0.00 C ATOM 1258 CD ARG A 71 7.212 4.034 -4.392 1.00 0.00 C ATOM 1259 NE ARG A 71 8.548 3.627 -3.966 1.00 0.00 N ATOM 1260 CZ ARG A 71 9.665 4.205 -4.395 1.00 0.00 C ATOM 1261 NH1 ARG A 71 9.605 5.211 -5.256 1.00 0.00 N ATOM 1262 NH2 ARG A 71 10.844 3.778 -3.961 1.00 0.00 N ATOM 0 H ARG A 71 3.702 3.828 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 71 4.751 1.262 -2.667 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.823 4.009 -2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.937 2.658 -2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.410 2.043 -4.329 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.193 3.302 -4.416 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.194 4.139 -5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.981 5.013 -3.973 1.00 0.00 H new ATOM 0 HE ARG A 71 8.628 2.856 -3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.700 5.543 -5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.464 5.653 -5.584 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.894 3.005 -3.297 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.701 4.223 -4.291 1.00 0.00 H new ATOM 1276 N THR A 72 4.950 2.305 0.446 1.00 0.00 N ATOM 1277 CA THR A 72 5.229 1.880 1.812 1.00 0.00 C ATOM 1278 C THR A 72 4.296 0.752 2.239 1.00 0.00 C ATOM 1279 O THR A 72 4.744 -0.285 2.729 1.00 0.00 O ATOM 1280 CB THR A 72 5.090 3.050 2.805 1.00 0.00 C ATOM 1281 OG1 THR A 72 5.978 4.112 2.438 1.00 0.00 O ATOM 1282 CG2 THR A 72 5.396 2.594 4.224 1.00 0.00 C ATOM 0 H THR A 72 4.550 3.240 0.369 1.00 0.00 H new ATOM 0 HA THR A 72 6.258 1.522 1.827 1.00 0.00 H new ATOM 0 HB THR A 72 4.061 3.408 2.769 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.612 4.592 1.666 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.291 3.437 4.907 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.700 1.806 4.511 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.416 2.213 4.272 1.00 0.00 H new ATOM 1290 N ILE A 73 2.997 0.962 2.049 1.00 0.00 N ATOM 1291 CA ILE A 73 2.002 -0.038 2.414 1.00 0.00 C ATOM 1292 C ILE A 73 2.129 -1.282 1.542 1.00 0.00 C ATOM 1293 O ILE A 73 2.146 -2.406 2.045 1.00 0.00 O ATOM 1294 CB ILE A 73 0.572 0.520 2.289 1.00 0.00 C ATOM 1295 CG1 ILE A 73 0.389 1.728 3.211 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.449 -0.561 2.614 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -1.027 2.259 3.235 1.00 0.00 C ATOM 0 H ILE A 73 2.610 1.815 1.645 1.00 0.00 H new ATOM 0 HA ILE A 73 2.189 -0.306 3.454 1.00 0.00 H new ATOM 0 HB ILE A 73 0.414 0.845 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.682 1.450 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.062 2.524 2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.455 -0.151 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.331 -1.393 1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.294 -0.914 3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.084 3.114 3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.317 2.568 2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.703 1.478 3.583 1.00 0.00 H new ATOM 1309 N CYS A 74 2.217 -1.075 0.233 1.00 0.00 N ATOM 1310 CA CYS A 74 2.344 -2.179 -0.710 1.00 0.00 C ATOM 1311 C CYS A 74 3.590 -3.008 -0.414 1.00 0.00 C ATOM 1312 O CYS A 74 3.568 -4.235 -0.502 1.00 0.00 O ATOM 1313 CB CYS A 74 2.397 -1.650 -2.144 1.00 0.00 C ATOM 1314 SG CYS A 74 2.687 -2.927 -3.392 1.00 0.00 S ATOM 0 H CYS A 74 2.203 -0.151 -0.199 1.00 0.00 H new ATOM 0 HA CYS A 74 1.469 -2.820 -0.599 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.458 -1.145 -2.368 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.186 -0.902 -2.215 1.00 0.00 H new ATOM 0 HG CYS A 74 2.713 -2.382 -4.572 1.00 0.00 H new ATOM 1320 N SER A 75 4.676 -2.327 -0.064 1.00 0.00 N ATOM 1321 CA SER A 75 5.935 -2.999 0.240 1.00 0.00 C ATOM 1322 C SER A 75 5.804 -3.853 1.498 1.00 0.00 C ATOM 1323 O SER A 75 6.347 -4.955 1.573 1.00 0.00 O ATOM 1324 CB SER A 75 7.055 -1.973 0.421 1.00 0.00 C ATOM 1325 OG SER A 75 8.222 -2.580 0.949 1.00 0.00 O ATOM 0 H SER A 75 4.710 -1.311 0.016 1.00 0.00 H new ATOM 0 HA SER A 75 6.182 -3.651 -0.598 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.285 -1.508 -0.538 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.721 -1.179 1.088 1.00 0.00 H new ATOM 0 HG SER A 75 8.924 -1.904 1.054 1.00 0.00 H new ATOM 1331 N HIS A 76 5.080 -3.334 2.486 1.00 0.00 N ATOM 1332 CA HIS A 76 4.877 -4.049 3.741 1.00 0.00 C ATOM 1333 C HIS A 76 4.173 -5.380 3.501 1.00 0.00 C ATOM 1334 O HIS A 76 4.597 -6.420 4.006 1.00 0.00 O ATOM 1335 CB HIS A 76 4.061 -3.195 4.712 1.00 0.00 C ATOM 1336 CG HIS A 76 4.867 -2.139 5.404 1.00 0.00 C ATOM 1337 ND1 HIS A 76 6.071 -2.397 6.025 1.00 0.00 N ATOM 1338 CD2 HIS A 76 4.637 -0.815 5.569 1.00 0.00 C ATOM 1339 CE1 HIS A 76 6.546 -1.279 6.544 1.00 0.00 C ATOM 1340 NE2 HIS A 76 5.694 -0.304 6.281 1.00 0.00 N ATOM 0 H HIS A 76 4.625 -2.422 2.441 1.00 0.00 H new ATOM 0 HA HIS A 76 5.855 -4.250 4.178 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.245 -2.719 4.167 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.608 -3.844 5.461 1.00 0.00 H new ATOM 0 HD2 HIS A 76 3.782 -0.264 5.208 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.472 -1.179 7.090 1.00 0.00 H new ATOM 0 HE2 HIS A 76 5.804 0.671 6.561 1.00 0.00 H new ATOM 1348 N VAL A 77 3.093 -5.342 2.726 1.00 0.00 N ATOM 1349 CA VAL A 77 2.329 -6.546 2.418 1.00 0.00 C ATOM 1350 C VAL A 77 3.185 -7.564 1.675 1.00 0.00 C ATOM 1351 O VAL A 77 3.202 -8.745 2.021 1.00 0.00 O ATOM 1352 CB VAL A 77 1.085 -6.220 1.570 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.313 -7.489 1.245 1.00 0.00 C ATOM 1354 CG2 VAL A 77 0.199 -5.214 2.289 1.00 0.00 C ATOM 0 H VAL A 77 2.727 -4.490 2.300 1.00 0.00 H new ATOM 0 HA VAL A 77 2.009 -6.970 3.370 1.00 0.00 H new ATOM 0 HB VAL A 77 1.413 -5.774 0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.562 -7.239 0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.953 -8.171 0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.006 -7.968 2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.675 -4.995 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.123 -5.630 3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.759 -4.295 2.463 1.00 0.00 H new ATOM 1364 N GLN A 78 3.895 -7.099 0.652 1.00 0.00 N ATOM 1365 CA GLN A 78 4.754 -7.971 -0.141 1.00 0.00 C ATOM 1366 C GLN A 78 5.843 -8.596 0.725 1.00 0.00 C ATOM 1367 O GLN A 78 6.142 -9.783 0.602 1.00 0.00 O ATOM 1368 CB GLN A 78 5.388 -7.188 -1.292 1.00 0.00 C ATOM 1369 CG GLN A 78 4.385 -6.715 -2.331 1.00 0.00 C ATOM 1370 CD GLN A 78 3.719 -7.863 -3.064 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.621 -8.363 -2.509 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 4.187 -8.297 -4.118 1.00 0.00 N flip ATOM 0 H GLN A 78 3.892 -6.124 0.353 1.00 0.00 H new ATOM 0 HA GLN A 78 4.138 -8.771 -0.551 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.913 -6.323 -0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.135 -7.815 -1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.622 -6.108 -1.844 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.890 -6.073 -3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.033 -7.883 -4.509 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.728 -9.070 -4.599 1.00 0.00 H new ATOM 1381 N ASN A 79 6.432 -7.788 1.601 1.00 0.00 N ATOM 1382 CA ASN A 79 7.488 -8.263 2.487 1.00 0.00 C ATOM 1383 C ASN A 79 6.970 -9.356 3.416 1.00 0.00 C ATOM 1384 O ASN A 79 7.684 -10.309 3.729 1.00 0.00 O ATOM 1385 CB ASN A 79 8.050 -7.103 3.311 1.00 0.00 C ATOM 1386 CG ASN A 79 9.303 -7.489 4.074 1.00 0.00 C ATOM 1387 OD1 ASN A 79 9.921 -8.516 3.795 1.00 0.00 O ATOM 1388 ND2 ASN A 79 9.682 -6.665 5.044 1.00 0.00 N ATOM 0 H ASN A 79 6.196 -6.802 1.716 1.00 0.00 H new ATOM 0 HA ASN A 79 8.283 -8.682 1.871 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.274 -6.266 2.649 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.291 -6.759 4.014 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.516 -6.873 5.593 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.139 -5.824 5.240 1.00 0.00 H new ATOM 1395 N MET A 80 5.722 -9.212 3.852 1.00 0.00 N ATOM 1396 CA MET A 80 5.107 -10.189 4.743 1.00 0.00 C ATOM 1397 C MET A 80 4.966 -11.542 4.052 1.00 0.00 C ATOM 1398 O MET A 80 5.313 -12.577 4.620 1.00 0.00 O ATOM 1399 CB MET A 80 3.736 -9.694 5.208 1.00 0.00 C ATOM 1400 CG MET A 80 3.809 -8.533 6.186 1.00 0.00 C ATOM 1401 SD MET A 80 2.249 -7.640 6.321 1.00 0.00 S ATOM 1402 CE MET A 80 1.466 -8.527 7.664 1.00 0.00 C ATOM 0 H MET A 80 5.118 -8.429 3.603 1.00 0.00 H new ATOM 0 HA MET A 80 5.755 -10.311 5.611 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.154 -9.389 4.338 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.200 -10.520 5.676 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.095 -8.908 7.169 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.591 -7.844 5.868 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.391 -8.349 7.640 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.659 -9.594 7.557 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.870 -8.179 8.615 1.00 0.00 H new ATOM 1412 N ILE A 81 4.454 -11.524 2.826 1.00 0.00 N ATOM 1413 CA ILE A 81 4.268 -12.750 2.059 1.00 0.00 C ATOM 1414 C ILE A 81 5.591 -13.482 1.862 1.00 0.00 C ATOM 1415 O ILE A 81 5.704 -14.673 2.154 1.00 0.00 O ATOM 1416 CB ILE A 81 3.644 -12.462 0.681 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.287 -11.775 0.845 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.498 -13.751 -0.114 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.795 -11.100 -0.416 1.00 0.00 C ATOM 0 H ILE A 81 4.161 -10.675 2.343 1.00 0.00 H new ATOM 0 HA ILE A 81 3.589 -13.381 2.632 1.00 0.00 H new ATOM 0 HB ILE A 81 4.306 -11.792 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.551 -12.514 1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.358 -11.033 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.056 -13.531 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.479 -14.204 -0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.854 -14.443 0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.828 -10.634 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.511 -10.338 -0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.691 -11.841 -1.209 1.00 0.00 H new ATOM 1431 N LYS A 82 6.592 -12.761 1.369 1.00 0.00 N ATOM 1432 CA LYS A 82 7.910 -13.340 1.136 1.00 0.00 C ATOM 1433 C LYS A 82 8.493 -13.902 2.429 1.00 0.00 C ATOM 1434 O LYS A 82 9.203 -14.907 2.415 1.00 0.00 O ATOM 1435 CB LYS A 82 8.856 -12.288 0.552 1.00 0.00 C ATOM 1436 CG LYS A 82 8.418 -11.761 -0.803 1.00 0.00 C ATOM 1437 CD LYS A 82 9.608 -11.341 -1.650 1.00 0.00 C ATOM 1438 CE LYS A 82 10.272 -12.538 -2.312 1.00 0.00 C ATOM 1439 NZ LYS A 82 9.607 -12.901 -3.594 1.00 0.00 N ATOM 0 H LYS A 82 6.516 -11.774 1.123 1.00 0.00 H new ATOM 0 HA LYS A 82 7.800 -14.157 0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.933 -11.454 1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.853 -12.719 0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.851 -12.530 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.750 -10.911 -0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.281 -10.636 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.334 -10.820 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.322 -12.314 -2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.243 -13.391 -1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.088 -13.721 -4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.611 -13.139 -3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.657 -12.096 -4.251 1.00 0.00 H new ATOM 1453 N GLY A 83 8.189 -13.247 3.545 1.00 0.00 N ATOM 1454 CA GLY A 83 8.690 -13.698 4.829 1.00 0.00 C ATOM 1455 C GLY A 83 8.007 -14.963 5.307 1.00 0.00 C ATOM 1456 O GLY A 83 8.643 -15.838 5.894 1.00 0.00 O ATOM 0 H GLY A 83 7.605 -12.412 3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.763 -13.874 4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.547 -12.910 5.568 1.00 0.00 H new ATOM 1460 N VAL A 84 6.704 -15.060 5.058 1.00 0.00 N ATOM 1461 CA VAL A 84 5.932 -16.227 5.468 1.00 0.00 C ATOM 1462 C VAL A 84 6.047 -17.350 4.442 1.00 0.00 C ATOM 1463 O VAL A 84 5.591 -18.469 4.676 1.00 0.00 O ATOM 1464 CB VAL A 84 4.445 -15.877 5.665 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.299 -14.650 6.553 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.768 -15.656 4.321 1.00 0.00 C ATOM 0 H VAL A 84 6.162 -14.344 4.574 1.00 0.00 H new ATOM 0 HA VAL A 84 6.347 -16.562 6.418 1.00 0.00 H new ATOM 0 HB VAL A 84 3.954 -16.715 6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.242 -14.417 6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.747 -14.850 7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.803 -13.803 6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.718 -15.410 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.258 -14.836 3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.842 -16.564 3.723 1.00 0.00 H new ATOM 1476 N THR A 85 6.661 -17.042 3.304 1.00 0.00 N ATOM 1477 CA THR A 85 6.836 -18.024 2.240 1.00 0.00 C ATOM 1478 C THR A 85 8.306 -18.384 2.061 1.00 0.00 C ATOM 1479 O THR A 85 8.636 -19.402 1.452 1.00 0.00 O ATOM 1480 CB THR A 85 6.278 -17.507 0.901 1.00 0.00 C ATOM 1481 OG1 THR A 85 6.901 -16.265 0.559 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.770 -17.319 0.979 1.00 0.00 C ATOM 0 H THR A 85 7.045 -16.121 3.095 1.00 0.00 H new ATOM 0 HA THR A 85 6.281 -18.914 2.536 1.00 0.00 H new ATOM 0 HB THR A 85 6.496 -18.247 0.131 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.583 -15.562 1.164 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.399 -16.953 0.022 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.296 -18.273 1.212 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.533 -16.596 1.760 1.00 0.00 H new ATOM 1490 N LEU A 86 9.185 -17.544 2.596 1.00 0.00 N ATOM 1491 CA LEU A 86 10.623 -17.775 2.494 1.00 0.00 C ATOM 1492 C LEU A 86 11.267 -17.806 3.877 1.00 0.00 C ATOM 1493 O LEU A 86 11.664 -16.772 4.412 1.00 0.00 O ATOM 1494 CB LEU A 86 11.275 -16.686 1.640 1.00 0.00 C ATOM 1495 CG LEU A 86 10.657 -16.456 0.261 1.00 0.00 C ATOM 1496 CD1 LEU A 86 11.292 -15.250 -0.414 1.00 0.00 C ATOM 1497 CD2 LEU A 86 10.811 -17.696 -0.607 1.00 0.00 C ATOM 0 H LEU A 86 8.928 -16.698 3.104 1.00 0.00 H new ATOM 0 HA LEU A 86 10.779 -18.743 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.239 -15.748 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.327 -16.937 1.507 1.00 0.00 H new ATOM 0 HG LEU A 86 9.593 -16.257 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.840 -15.102 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.130 -14.363 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.362 -15.420 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.365 -17.513 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.870 -17.926 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.309 -18.538 -0.131 1.00 0.00 H new