USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 706 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 58 THR OG1 : rot 180:sc= 0.0287 USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl -122:sc= -0.0338 (180deg=-0.402) USER MOD Single : A 24 SER OG : rot -132:sc= 0.666 USER MOD Single : A 29 THR OG1 : rot -170:sc= 1.21 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -27:sc= 1.22 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -143:sc= 0.0595 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0198 K(o=-0.02,f=-0.63) USER MOD Single : A 44 ASN : amide:sc= 0.238 X(o=0.24,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.68 K(o=-0.68,f=-0.17) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.3) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 169:sc=-0.00523 (180deg=-0.107) USER MOD Single : A 86 MET CE :methyl -172:sc= -0.289 (180deg=-0.42) USER MOD Single : A 87 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.005) USER MOD Single : A 91 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.3!) USER MOD Single : A 94 HIS : no HE2:sc= 0.615 K(o=0.62,f=-3.4!) USER MOD Single : A 95 ASN : amide:sc= -0.653 K(o=-0.65,f=-6!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 17 -6.317 -13.219 -4.966 1.00 0.00 N ATOM 172 CA ILE A 17 -4.915 -12.881 -5.189 1.00 0.00 C ATOM 173 C ILE A 17 -4.136 -14.129 -5.618 1.00 0.00 C ATOM 174 O ILE A 17 -3.304 -14.045 -6.513 1.00 0.00 O ATOM 175 CB ILE A 17 -4.312 -12.159 -3.953 1.00 0.00 C ATOM 176 CG1 ILE A 17 -2.791 -11.915 -4.059 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.569 -12.903 -2.629 1.00 0.00 C ATOM 178 CD1 ILE A 17 -2.351 -11.057 -5.244 1.00 0.00 C ATOM 0 HA ILE A 17 -4.836 -12.168 -6.010 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.833 -11.202 -3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.451 -11.438 -3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.288 -12.880 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.122 -12.346 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.643 -12.994 -2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.124 -13.897 -2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.267 -10.945 -5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.653 -11.539 -6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.818 -10.075 -5.175 1.00 0.00 H new ATOM 190 N GLN A 18 -4.424 -15.299 -5.046 1.00 0.00 N ATOM 191 CA GLN A 18 -3.691 -16.513 -5.374 1.00 0.00 C ATOM 192 C GLN A 18 -3.847 -16.913 -6.846 1.00 0.00 C ATOM 193 O GLN A 18 -2.899 -17.443 -7.412 1.00 0.00 O ATOM 194 CB GLN A 18 -4.145 -17.654 -4.464 1.00 0.00 C ATOM 195 CG GLN A 18 -3.646 -17.476 -3.026 1.00 0.00 C ATOM 196 CD GLN A 18 -4.095 -18.648 -2.167 1.00 0.00 C ATOM 197 OE1 GLN A 18 -3.648 -19.771 -2.360 1.00 0.00 O ATOM 198 NE2 GLN A 18 -5.016 -18.474 -1.233 1.00 0.00 N ATOM 0 H GLN A 18 -5.161 -15.427 -4.353 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.633 -16.310 -5.211 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.234 -17.708 -4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.779 -18.601 -4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.558 -17.404 -3.017 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.031 -16.544 -2.612 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.398 -17.544 -1.060 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.344 -19.270 -0.686 1.00 0.00 H new ATOM 207 N GLU A 19 -4.998 -16.662 -7.478 1.00 0.00 N ATOM 208 CA GLU A 19 -5.225 -17.005 -8.883 1.00 0.00 C ATOM 209 C GLU A 19 -4.630 -15.949 -9.828 1.00 0.00 C ATOM 210 O GLU A 19 -4.333 -16.253 -10.982 1.00 0.00 O ATOM 211 CB GLU A 19 -6.725 -17.258 -9.110 1.00 0.00 C ATOM 212 CG GLU A 19 -7.060 -17.595 -10.569 1.00 0.00 C ATOM 213 CD GLU A 19 -8.378 -18.361 -10.761 1.00 0.00 C ATOM 214 OE1 GLU A 19 -8.670 -19.337 -10.021 1.00 0.00 O ATOM 215 OE2 GLU A 19 -9.131 -17.992 -11.689 1.00 0.00 O ATOM 0 H GLU A 19 -5.798 -16.215 -7.029 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.697 -17.928 -9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.051 -18.077 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.287 -16.374 -8.808 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.107 -16.668 -11.141 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.246 -18.187 -10.988 1.00 0.00 H new ATOM 222 N ILE A 20 -4.379 -14.732 -9.344 1.00 0.00 N ATOM 223 CA ILE A 20 -3.559 -13.755 -10.052 1.00 0.00 C ATOM 224 C ILE A 20 -2.103 -14.232 -9.984 1.00 0.00 C ATOM 225 O ILE A 20 -1.418 -14.353 -10.997 1.00 0.00 O ATOM 226 CB ILE A 20 -3.763 -12.361 -9.421 1.00 0.00 C ATOM 227 CG1 ILE A 20 -5.244 -11.916 -9.412 1.00 0.00 C ATOM 228 CG2 ILE A 20 -2.869 -11.314 -10.095 1.00 0.00 C ATOM 229 CD1 ILE A 20 -5.920 -11.800 -10.779 1.00 0.00 C ATOM 0 H ILE A 20 -4.740 -14.398 -8.450 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.844 -13.668 -11.100 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.463 -12.445 -8.377 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.811 -12.624 -8.808 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.309 -10.948 -8.914 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.034 -10.342 -9.631 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.823 -11.599 -9.979 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.113 -11.255 -11.156 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.954 -11.481 -10.648 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.389 -11.067 -11.387 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.899 -12.769 -11.278 1.00 0.00 H new ATOM 241 N VAL A 21 -1.627 -14.531 -8.774 1.00 0.00 N ATOM 242 CA VAL A 21 -0.274 -14.995 -8.505 1.00 0.00 C ATOM 243 C VAL A 21 0.023 -16.279 -9.283 1.00 0.00 C ATOM 244 O VAL A 21 1.154 -16.460 -9.729 1.00 0.00 O ATOM 245 CB VAL A 21 -0.119 -15.210 -6.991 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.238 -15.802 -6.627 1.00 0.00 C ATOM 247 CG2 VAL A 21 -0.288 -13.922 -6.175 1.00 0.00 C ATOM 0 H VAL A 21 -2.195 -14.453 -7.930 1.00 0.00 H new ATOM 0 HA VAL A 21 0.446 -14.246 -8.836 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.919 -15.906 -6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.299 -15.935 -5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.358 -16.767 -7.119 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.029 -15.127 -6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.167 -14.144 -5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.464 -13.195 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.282 -13.510 -6.348 1.00 0.00 H new ATOM 257 N ALA A 22 -0.979 -17.141 -9.470 1.00 0.00 N ATOM 258 CA ALA A 22 -0.863 -18.410 -10.174 1.00 0.00 C ATOM 259 C ALA A 22 -0.222 -18.217 -11.544 1.00 0.00 C ATOM 260 O ALA A 22 0.686 -18.960 -11.922 1.00 0.00 O ATOM 261 CB ALA A 22 -2.258 -19.016 -10.359 1.00 0.00 C ATOM 0 H ALA A 22 -1.922 -16.965 -9.123 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.234 -19.075 -9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.175 -19.967 -10.886 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.715 -19.181 -9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.878 -18.332 -10.939 1.00 0.00 H new ATOM 267 N MET A 23 -0.719 -17.212 -12.264 1.00 0.00 N ATOM 268 CA MET A 23 -0.343 -16.830 -13.605 1.00 0.00 C ATOM 269 C MET A 23 1.003 -16.103 -13.657 1.00 0.00 C ATOM 270 O MET A 23 1.608 -16.024 -14.730 1.00 0.00 O ATOM 271 CB MET A 23 -1.429 -15.864 -14.098 1.00 0.00 C ATOM 272 CG MET A 23 -2.847 -16.447 -14.097 1.00 0.00 C ATOM 273 SD MET A 23 -3.153 -17.641 -15.418 1.00 0.00 S ATOM 274 CE MET A 23 -3.253 -16.462 -16.784 1.00 0.00 C ATOM 0 H MET A 23 -1.448 -16.605 -11.888 1.00 0.00 H new ATOM 0 HA MET A 23 -0.248 -17.727 -14.217 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.416 -14.972 -13.471 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.182 -15.545 -15.111 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.030 -16.929 -13.137 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.564 -15.631 -14.186 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.220 -16.557 -17.277 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.140 -15.449 -16.399 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.459 -16.668 -17.501 1.00 0.00 H new ATOM 284 N SER A 24 1.443 -15.529 -12.534 1.00 0.00 N ATOM 285 CA SER A 24 2.445 -14.478 -12.501 1.00 0.00 C ATOM 286 C SER A 24 3.800 -14.980 -13.012 1.00 0.00 C ATOM 287 O SER A 24 4.225 -16.072 -12.620 1.00 0.00 O ATOM 288 CB SER A 24 2.569 -13.954 -11.068 1.00 0.00 C ATOM 289 OG SER A 24 3.492 -12.883 -10.951 1.00 0.00 O ATOM 0 H SER A 24 1.102 -15.792 -11.609 1.00 0.00 H new ATOM 0 HA SER A 24 2.131 -13.670 -13.162 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.590 -13.623 -10.721 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.880 -14.769 -10.414 1.00 0.00 H new ATOM 0 HG SER A 24 4.092 -13.049 -10.194 1.00 0.00 H new ATOM 295 N PRO A 25 4.517 -14.159 -13.799 1.00 0.00 N ATOM 296 CA PRO A 25 5.915 -14.383 -14.130 1.00 0.00 C ATOM 297 C PRO A 25 6.790 -14.187 -12.887 1.00 0.00 C ATOM 298 O PRO A 25 6.295 -13.867 -11.800 1.00 0.00 O ATOM 299 CB PRO A 25 6.230 -13.385 -15.249 1.00 0.00 C ATOM 300 CG PRO A 25 5.297 -12.217 -14.958 1.00 0.00 C ATOM 301 CD PRO A 25 4.086 -12.857 -14.291 1.00 0.00 C ATOM 0 HA PRO A 25 6.117 -15.400 -14.466 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.276 -13.078 -15.230 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.042 -13.813 -16.233 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.770 -11.484 -14.304 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.017 -11.695 -15.873 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.722 -12.236 -13.473 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.265 -12.964 -15.000 1.00 0.00 H new ATOM 309 N GLU A 26 8.091 -14.417 -13.051 1.00 0.00 N ATOM 310 CA GLU A 26 9.098 -14.440 -12.010 1.00 0.00 C ATOM 311 C GLU A 26 9.466 -13.028 -11.547 1.00 0.00 C ATOM 312 O GLU A 26 10.550 -12.504 -11.825 1.00 0.00 O ATOM 313 CB GLU A 26 10.296 -15.238 -12.532 1.00 0.00 C ATOM 314 CG GLU A 26 11.188 -15.712 -11.394 1.00 0.00 C ATOM 315 CD GLU A 26 12.429 -16.494 -11.794 1.00 0.00 C ATOM 316 OE1 GLU A 26 12.254 -17.536 -12.462 1.00 0.00 O ATOM 317 OE2 GLU A 26 13.535 -16.211 -11.276 1.00 0.00 O ATOM 0 H GLU A 26 8.487 -14.603 -13.973 1.00 0.00 H new ATOM 0 HA GLU A 26 8.712 -14.932 -11.117 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.942 -16.098 -13.101 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.876 -14.620 -13.217 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.503 -14.841 -10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.591 -16.334 -10.727 1.00 0.00 H new ATOM 324 N LEU A 27 8.536 -12.424 -10.819 1.00 0.00 N ATOM 325 CA LEU A 27 8.623 -11.091 -10.254 1.00 0.00 C ATOM 326 C LEU A 27 9.840 -10.977 -9.351 1.00 0.00 C ATOM 327 O LEU A 27 9.919 -11.666 -8.335 1.00 0.00 O ATOM 328 CB LEU A 27 7.318 -10.766 -9.531 1.00 0.00 C ATOM 329 CG LEU A 27 6.400 -9.901 -10.403 1.00 0.00 C ATOM 330 CD1 LEU A 27 6.125 -10.504 -11.780 1.00 0.00 C ATOM 331 CD2 LEU A 27 5.094 -9.730 -9.651 1.00 0.00 C ATOM 0 H LEU A 27 7.651 -12.881 -10.596 1.00 0.00 H new ATOM 0 HA LEU A 27 8.756 -10.354 -11.046 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.806 -11.691 -9.266 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.536 -10.244 -8.599 1.00 0.00 H new ATOM 0 HG LEU A 27 6.898 -8.949 -10.587 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.469 -9.840 -12.343 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.065 -10.627 -12.318 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.644 -11.475 -11.662 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.412 -9.118 -10.241 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.645 -10.707 -9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.286 -9.242 -8.696 1.00 0.00 H new ATOM 343 N ASP A 28 10.787 -10.121 -9.740 1.00 0.00 N ATOM 344 CA ASP A 28 12.057 -9.912 -9.055 1.00 0.00 C ATOM 345 C ASP A 28 11.801 -9.310 -7.694 1.00 0.00 C ATOM 346 O ASP A 28 11.744 -8.090 -7.540 1.00 0.00 O ATOM 347 CB ASP A 28 13.019 -9.048 -9.879 1.00 0.00 C ATOM 348 CG ASP A 28 13.562 -9.872 -11.030 1.00 0.00 C ATOM 349 OD1 ASP A 28 14.415 -10.754 -10.771 1.00 0.00 O ATOM 350 OD2 ASP A 28 13.005 -9.773 -12.141 1.00 0.00 O ATOM 0 H ASP A 28 10.684 -9.536 -10.569 1.00 0.00 H new ATOM 0 HA ASP A 28 12.545 -10.879 -8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.502 -8.167 -10.258 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.837 -8.693 -9.252 1.00 0.00 H new ATOM 355 N THR A 29 11.652 -10.185 -6.704 1.00 0.00 N ATOM 356 CA THR A 29 11.302 -9.855 -5.338 1.00 0.00 C ATOM 357 C THR A 29 12.232 -8.750 -4.842 1.00 0.00 C ATOM 358 O THR A 29 11.762 -7.729 -4.351 1.00 0.00 O ATOM 359 CB THR A 29 11.359 -11.139 -4.488 1.00 0.00 C ATOM 360 OG1 THR A 29 12.644 -11.735 -4.548 1.00 0.00 O ATOM 361 CG2 THR A 29 10.347 -12.191 -4.963 1.00 0.00 C ATOM 0 H THR A 29 11.779 -11.187 -6.845 1.00 0.00 H new ATOM 0 HA THR A 29 10.286 -9.469 -5.262 1.00 0.00 H new ATOM 0 HB THR A 29 11.122 -10.832 -3.469 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.611 -12.626 -4.140 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.423 -13.079 -4.335 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.339 -11.783 -4.894 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.560 -12.459 -5.998 1.00 0.00 H new ATOM 369 N TYR A 30 13.541 -8.913 -5.053 1.00 0.00 N ATOM 370 CA TYR A 30 14.575 -7.944 -4.768 1.00 0.00 C ATOM 371 C TYR A 30 14.283 -6.574 -5.380 1.00 0.00 C ATOM 372 O TYR A 30 14.113 -5.613 -4.630 1.00 0.00 O ATOM 373 CB TYR A 30 15.911 -8.517 -5.243 1.00 0.00 C ATOM 374 CG TYR A 30 17.095 -7.896 -4.546 1.00 0.00 C ATOM 375 CD1 TYR A 30 17.289 -8.160 -3.180 1.00 0.00 C ATOM 376 CD2 TYR A 30 18.015 -7.110 -5.260 1.00 0.00 C ATOM 377 CE1 TYR A 30 18.463 -7.721 -2.543 1.00 0.00 C ATOM 378 CE2 TYR A 30 19.178 -6.645 -4.626 1.00 0.00 C ATOM 379 CZ TYR A 30 19.425 -6.989 -3.278 1.00 0.00 C ATOM 380 OH TYR A 30 20.621 -6.669 -2.716 1.00 0.00 O ATOM 0 H TYR A 30 13.916 -9.775 -5.449 1.00 0.00 H new ATOM 0 HA TYR A 30 14.614 -7.768 -3.693 1.00 0.00 H new ATOM 0 HB2 TYR A 30 15.920 -9.594 -5.074 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.006 -8.362 -6.318 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.538 -8.699 -2.621 1.00 0.00 H new ATOM 0 HD2 TYR A 30 17.828 -6.864 -6.295 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.629 -7.941 -1.499 1.00 0.00 H new ATOM 0 HE2 TYR A 30 19.880 -6.027 -5.166 1.00 0.00 H new ATOM 0 HH TYR A 30 21.161 -6.166 -3.361 1.00 0.00 H new ATOM 390 N SER A 31 14.200 -6.484 -6.708 1.00 0.00 N ATOM 391 CA SER A 31 13.952 -5.241 -7.431 1.00 0.00 C ATOM 392 C SER A 31 12.681 -4.561 -6.901 1.00 0.00 C ATOM 393 O SER A 31 12.704 -3.384 -6.541 1.00 0.00 O ATOM 394 CB SER A 31 13.891 -5.546 -8.935 1.00 0.00 C ATOM 395 OG SER A 31 13.787 -4.354 -9.681 1.00 0.00 O ATOM 0 H SER A 31 14.306 -7.292 -7.322 1.00 0.00 H new ATOM 0 HA SER A 31 14.765 -4.533 -7.269 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.784 -6.093 -9.237 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.037 -6.189 -9.146 1.00 0.00 H new ATOM 0 HG SER A 31 13.751 -4.568 -10.637 1.00 0.00 H new ATOM 401 N ILE A 32 11.588 -5.317 -6.766 1.00 0.00 N ATOM 402 CA ILE A 32 10.317 -4.838 -6.238 1.00 0.00 C ATOM 403 C ILE A 32 10.561 -4.280 -4.833 1.00 0.00 C ATOM 404 O ILE A 32 10.228 -3.127 -4.594 1.00 0.00 O ATOM 405 CB ILE A 32 9.274 -5.983 -6.304 1.00 0.00 C ATOM 406 CG1 ILE A 32 8.928 -6.302 -7.781 1.00 0.00 C ATOM 407 CG2 ILE A 32 7.985 -5.658 -5.526 1.00 0.00 C ATOM 408 CD1 ILE A 32 8.236 -7.657 -7.959 1.00 0.00 C ATOM 0 H ILE A 32 11.567 -6.302 -7.029 1.00 0.00 H new ATOM 0 HA ILE A 32 9.901 -4.024 -6.832 1.00 0.00 H new ATOM 0 HB ILE A 32 9.727 -6.854 -5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.282 -5.517 -8.174 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.843 -6.288 -8.373 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.291 -6.494 -5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.227 -5.487 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.524 -4.763 -5.943 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.021 -7.820 -9.015 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.890 -8.450 -7.595 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.304 -7.667 -7.393 1.00 0.00 H new ATOM 420 N THR A 33 11.169 -5.030 -3.906 1.00 0.00 N ATOM 421 CA THR A 33 11.377 -4.547 -2.538 1.00 0.00 C ATOM 422 C THR A 33 12.148 -3.229 -2.519 1.00 0.00 C ATOM 423 O THR A 33 11.784 -2.337 -1.759 1.00 0.00 O ATOM 424 CB THR A 33 12.072 -5.593 -1.651 1.00 0.00 C ATOM 425 OG1 THR A 33 13.358 -5.948 -2.120 1.00 0.00 O ATOM 426 CG2 THR A 33 11.260 -6.880 -1.504 1.00 0.00 C ATOM 0 H THR A 33 11.524 -5.970 -4.079 1.00 0.00 H new ATOM 0 HA THR A 33 10.386 -4.369 -2.120 1.00 0.00 H new ATOM 0 HB THR A 33 12.160 -5.101 -0.682 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.400 -5.816 -3.090 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.801 -7.581 -0.867 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.294 -6.651 -1.054 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.106 -7.327 -2.486 1.00 0.00 H new ATOM 434 N LYS A 34 13.189 -3.113 -3.348 1.00 0.00 N ATOM 435 CA LYS A 34 13.967 -1.890 -3.545 1.00 0.00 C ATOM 436 C LYS A 34 13.033 -0.762 -3.945 1.00 0.00 C ATOM 437 O LYS A 34 12.900 0.190 -3.189 1.00 0.00 O ATOM 438 CB LYS A 34 15.092 -2.085 -4.583 1.00 0.00 C ATOM 439 CG LYS A 34 16.461 -2.096 -3.896 1.00 0.00 C ATOM 440 CD LYS A 34 17.605 -2.215 -4.905 1.00 0.00 C ATOM 441 CE LYS A 34 18.928 -2.246 -4.133 1.00 0.00 C ATOM 442 NZ LYS A 34 20.092 -2.293 -5.037 1.00 0.00 N ATOM 0 H LYS A 34 13.522 -3.891 -3.917 1.00 0.00 H new ATOM 0 HA LYS A 34 14.457 -1.633 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.941 -3.021 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.056 -1.284 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.583 -1.182 -3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.508 -2.928 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.492 -3.120 -5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.589 -1.373 -5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.998 -1.363 -3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.944 -3.115 -3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.967 -2.313 -4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.039 -3.148 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.092 -1.451 -5.648 1.00 0.00 H new ATOM 456 N ARG A 35 12.355 -0.881 -5.084 1.00 0.00 N ATOM 457 CA ARG A 35 11.500 0.179 -5.609 1.00 0.00 C ATOM 458 C ARG A 35 10.391 0.547 -4.625 1.00 0.00 C ATOM 459 O ARG A 35 10.041 1.711 -4.489 1.00 0.00 O ATOM 460 CB ARG A 35 10.946 -0.284 -6.962 1.00 0.00 C ATOM 461 CG ARG A 35 10.600 0.880 -7.907 1.00 0.00 C ATOM 462 CD ARG A 35 9.142 1.295 -7.783 1.00 0.00 C ATOM 463 NE ARG A 35 8.610 1.914 -9.012 1.00 0.00 N ATOM 464 CZ ARG A 35 8.475 3.224 -9.253 1.00 0.00 C ATOM 465 NH1 ARG A 35 9.065 4.127 -8.483 1.00 0.00 N ATOM 466 NH2 ARG A 35 7.740 3.614 -10.284 1.00 0.00 N ATOM 0 H ARG A 35 12.383 -1.716 -5.669 1.00 0.00 H new ATOM 0 HA ARG A 35 12.081 1.091 -5.750 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.679 -0.930 -7.445 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.052 -0.885 -6.795 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.241 1.733 -7.683 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.808 0.587 -8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.541 0.420 -7.535 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.039 1.997 -6.956 1.00 0.00 H new ATOM 0 HE ARG A 35 8.315 1.279 -9.754 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.634 3.828 -7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.950 5.121 -8.683 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.288 2.920 -10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.626 4.608 -10.482 1.00 0.00 H new ATOM 480 N VAL A 36 9.849 -0.430 -3.905 1.00 0.00 N ATOM 481 CA VAL A 36 8.843 -0.212 -2.884 1.00 0.00 C ATOM 482 C VAL A 36 9.456 0.626 -1.749 1.00 0.00 C ATOM 483 O VAL A 36 8.905 1.665 -1.396 1.00 0.00 O ATOM 484 CB VAL A 36 8.292 -1.587 -2.451 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.468 -1.484 -1.168 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.357 -2.196 -3.521 1.00 0.00 C ATOM 0 H VAL A 36 10.104 -1.411 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 36 7.991 0.363 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 36 9.169 -2.216 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.097 -2.471 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.093 -1.096 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.626 -0.811 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.991 -3.163 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.513 -1.528 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.907 -2.327 -4.453 1.00 0.00 H new ATOM 496 N LYS A 37 10.592 0.206 -1.179 1.00 0.00 N ATOM 497 CA LYS A 37 11.293 0.947 -0.127 1.00 0.00 C ATOM 498 C LYS A 37 11.599 2.364 -0.577 1.00 0.00 C ATOM 499 O LYS A 37 11.368 3.289 0.193 1.00 0.00 O ATOM 500 CB LYS A 37 12.618 0.254 0.219 1.00 0.00 C ATOM 501 CG LYS A 37 12.442 -0.937 1.161 1.00 0.00 C ATOM 502 CD LYS A 37 13.778 -1.672 1.349 1.00 0.00 C ATOM 503 CE LYS A 37 14.063 -2.614 0.175 1.00 0.00 C ATOM 504 NZ LYS A 37 15.456 -3.094 0.146 1.00 0.00 N ATOM 0 H LYS A 37 11.053 -0.666 -1.438 1.00 0.00 H new ATOM 0 HA LYS A 37 10.643 0.973 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.095 -0.085 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.291 0.978 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.069 -0.594 2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.696 -1.622 0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.586 -0.946 1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.755 -2.241 2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.391 -3.470 0.232 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.843 -2.098 -0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.780 -3.160 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.063 -2.429 0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.509 -4.032 0.591 1.00 0.00 H new ATOM 518 N GLU A 38 12.111 2.523 -1.795 1.00 0.00 N ATOM 519 CA GLU A 38 12.430 3.810 -2.398 1.00 0.00 C ATOM 520 C GLU A 38 11.210 4.720 -2.324 1.00 0.00 C ATOM 521 O GLU A 38 11.300 5.796 -1.744 1.00 0.00 O ATOM 522 CB GLU A 38 12.884 3.626 -3.854 1.00 0.00 C ATOM 523 CG GLU A 38 14.267 2.984 -4.006 1.00 0.00 C ATOM 524 CD GLU A 38 15.387 4.018 -4.017 1.00 0.00 C ATOM 525 OE1 GLU A 38 15.471 4.833 -3.073 1.00 0.00 O ATOM 526 OE2 GLU A 38 16.201 4.018 -4.977 1.00 0.00 O ATOM 0 H GLU A 38 12.321 1.734 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 38 13.251 4.270 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.151 3.011 -4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.892 4.599 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.431 2.282 -3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.298 2.408 -4.931 1.00 0.00 H new ATOM 533 N VAL A 39 10.066 4.281 -2.854 1.00 0.00 N ATOM 534 CA VAL A 39 8.824 5.049 -2.857 1.00 0.00 C ATOM 535 C VAL A 39 8.385 5.395 -1.424 1.00 0.00 C ATOM 536 O VAL A 39 7.908 6.513 -1.198 1.00 0.00 O ATOM 537 CB VAL A 39 7.757 4.266 -3.658 1.00 0.00 C ATOM 538 CG1 VAL A 39 6.347 4.858 -3.546 1.00 0.00 C ATOM 539 CG2 VAL A 39 8.125 4.234 -5.148 1.00 0.00 C ATOM 0 H VAL A 39 9.978 3.368 -3.299 1.00 0.00 H new ATOM 0 HA VAL A 39 8.972 6.009 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 39 7.746 3.267 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.652 4.257 -4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.034 4.858 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.351 5.881 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.365 3.680 -5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.180 5.253 -5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.092 3.747 -5.274 1.00 0.00 H new ATOM 549 N LEU A 40 8.534 4.478 -0.458 1.00 0.00 N ATOM 550 CA LEU A 40 8.145 4.728 0.932 1.00 0.00 C ATOM 551 C LEU A 40 9.106 5.707 1.604 1.00 0.00 C ATOM 552 O LEU A 40 8.673 6.504 2.428 1.00 0.00 O ATOM 553 CB LEU A 40 8.034 3.432 1.767 1.00 0.00 C ATOM 554 CG LEU A 40 6.989 2.436 1.239 1.00 0.00 C ATOM 555 CD1 LEU A 40 7.207 1.077 1.910 1.00 0.00 C ATOM 556 CD2 LEU A 40 5.570 2.940 1.498 1.00 0.00 C ATOM 0 H LEU A 40 8.925 3.550 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 40 7.151 5.173 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.008 2.943 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.784 3.694 2.795 1.00 0.00 H new ATOM 0 HG LEU A 40 7.110 2.334 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.469 0.366 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.208 0.714 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.099 1.183 2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.851 2.216 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.419 3.068 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.426 3.896 0.995 1.00 0.00 H new ATOM 568 N THR A 41 10.400 5.657 1.311 1.00 0.00 N ATOM 569 CA THR A 41 11.374 6.624 1.799 1.00 0.00 C ATOM 570 C THR A 41 11.116 7.997 1.169 1.00 0.00 C ATOM 571 O THR A 41 11.003 8.984 1.896 1.00 0.00 O ATOM 572 CB THR A 41 12.786 6.049 1.573 1.00 0.00 C ATOM 573 OG1 THR A 41 13.097 5.273 2.717 1.00 0.00 O ATOM 574 CG2 THR A 41 13.896 7.083 1.371 1.00 0.00 C ATOM 0 H THR A 41 10.807 4.933 0.719 1.00 0.00 H new ATOM 0 HA THR A 41 11.279 6.793 2.872 1.00 0.00 H new ATOM 0 HB THR A 41 12.754 5.482 0.643 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.991 4.884 2.615 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.847 6.572 1.221 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.670 7.693 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.963 7.722 2.252 1.00 0.00 H new ATOM 582 N ASP A 42 10.955 8.062 -0.151 1.00 0.00 N ATOM 583 CA ASP A 42 10.742 9.280 -0.929 1.00 0.00 C ATOM 584 C ASP A 42 9.526 10.027 -0.389 1.00 0.00 C ATOM 585 O ASP A 42 9.596 11.218 -0.068 1.00 0.00 O ATOM 586 CB ASP A 42 10.576 8.927 -2.424 1.00 0.00 C ATOM 587 CG ASP A 42 11.887 8.635 -3.171 1.00 0.00 C ATOM 588 OD1 ASP A 42 12.996 8.771 -2.592 1.00 0.00 O ATOM 589 OD2 ASP A 42 11.812 8.269 -4.367 1.00 0.00 O ATOM 0 H ASP A 42 10.970 7.226 -0.735 1.00 0.00 H new ATOM 0 HA ASP A 42 11.609 9.934 -0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.926 8.056 -2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.067 9.752 -2.922 1.00 0.00 H new ATOM 594 N ASN A 43 8.413 9.315 -0.210 1.00 0.00 N ATOM 595 CA ASN A 43 7.169 9.888 0.299 1.00 0.00 C ATOM 596 C ASN A 43 7.125 9.948 1.831 1.00 0.00 C ATOM 597 O ASN A 43 6.136 10.426 2.383 1.00 0.00 O ATOM 598 CB ASN A 43 5.972 9.131 -0.286 1.00 0.00 C ATOM 599 CG ASN A 43 5.812 9.443 -1.763 1.00 0.00 C ATOM 600 OD1 ASN A 43 5.222 10.455 -2.114 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.309 8.598 -2.650 1.00 0.00 N ATOM 0 H ASN A 43 8.350 8.318 -0.416 1.00 0.00 H new ATOM 0 HA ASN A 43 7.118 10.926 -0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.111 8.059 -0.148 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.064 9.406 0.250 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.204 8.785 -3.647 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.798 7.759 -2.337 1.00 0.00 H new ATOM 608 N ASN A 44 8.196 9.533 2.520 1.00 0.00 N ATOM 609 CA ASN A 44 8.383 9.554 3.976 1.00 0.00 C ATOM 610 C ASN A 44 7.227 8.838 4.692 1.00 0.00 C ATOM 611 O ASN A 44 6.429 9.448 5.408 1.00 0.00 O ATOM 612 CB ASN A 44 8.539 10.985 4.518 1.00 0.00 C ATOM 613 CG ASN A 44 9.791 11.783 4.165 1.00 0.00 C ATOM 614 OD1 ASN A 44 10.117 12.712 4.895 1.00 0.00 O ATOM 615 ND2 ASN A 44 10.508 11.516 3.087 1.00 0.00 N ATOM 0 H ASN A 44 9.010 9.147 2.042 1.00 0.00 H new ATOM 0 HA ASN A 44 9.309 9.018 4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.677 11.560 4.179 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.479 10.932 5.605 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.328 12.082 2.867 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.242 10.744 2.476 1.00 0.00 H new ATOM 622 N LEU A 45 7.127 7.528 4.493 1.00 0.00 N ATOM 623 CA LEU A 45 6.018 6.683 4.924 1.00 0.00 C ATOM 624 C LEU A 45 6.504 5.532 5.786 1.00 0.00 C ATOM 625 O LEU A 45 7.574 4.967 5.541 1.00 0.00 O ATOM 626 CB LEU A 45 5.314 6.102 3.692 1.00 0.00 C ATOM 627 CG LEU A 45 4.522 7.168 2.927 1.00 0.00 C ATOM 628 CD1 LEU A 45 4.280 6.675 1.506 1.00 0.00 C ATOM 629 CD2 LEU A 45 3.186 7.475 3.611 1.00 0.00 C ATOM 0 H LEU A 45 7.851 7.001 4.004 1.00 0.00 H new ATOM 0 HA LEU A 45 5.334 7.298 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.054 5.655 3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.640 5.303 4.002 1.00 0.00 H new ATOM 0 HG LEU A 45 5.102 8.091 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.717 7.426 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.237 6.502 1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.713 5.744 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.652 8.235 3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.585 6.567 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.370 7.842 4.621 1.00 0.00 H new ATOM 641 N GLY A 46 5.661 5.132 6.737 1.00 0.00 N ATOM 642 CA GLY A 46 5.899 3.985 7.587 1.00 0.00 C ATOM 643 C GLY A 46 5.765 2.683 6.805 1.00 0.00 C ATOM 644 O GLY A 46 4.742 2.462 6.151 1.00 0.00 O ATOM 0 H GLY A 46 4.782 5.609 6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.897 4.051 8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.191 3.989 8.415 1.00 0.00 H new ATOM 648 N GLN A 47 6.749 1.783 6.934 1.00 0.00 N ATOM 649 CA GLN A 47 6.647 0.428 6.392 1.00 0.00 C ATOM 650 C GLN A 47 5.390 -0.266 6.931 1.00 0.00 C ATOM 651 O GLN A 47 4.757 -1.017 6.194 1.00 0.00 O ATOM 652 CB GLN A 47 7.846 -0.440 6.812 1.00 0.00 C ATOM 653 CG GLN A 47 9.077 -0.289 5.917 1.00 0.00 C ATOM 654 CD GLN A 47 10.285 -1.026 6.502 1.00 0.00 C ATOM 655 OE1 GLN A 47 10.609 -0.881 7.681 1.00 0.00 O ATOM 656 NE2 GLN A 47 10.967 -1.851 5.722 1.00 0.00 N ATOM 0 H GLN A 47 7.629 1.974 7.413 1.00 0.00 H new ATOM 0 HA GLN A 47 6.615 0.527 5.307 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.122 -0.186 7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.539 -1.486 6.814 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.857 -0.679 4.923 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.316 0.768 5.799 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.697 -1.970 4.746 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.762 -2.368 6.098 1.00 0.00 H new ATOM 665 N ARG A 48 5.043 -0.063 8.217 1.00 0.00 N ATOM 666 CA ARG A 48 3.900 -0.769 8.803 1.00 0.00 C ATOM 667 C ARG A 48 2.631 -0.427 8.033 1.00 0.00 C ATOM 668 O ARG A 48 1.927 -1.337 7.626 1.00 0.00 O ATOM 669 CB ARG A 48 3.709 -0.496 10.308 1.00 0.00 C ATOM 670 CG ARG A 48 2.741 -1.548 10.904 1.00 0.00 C ATOM 671 CD ARG A 48 1.544 -0.975 11.675 1.00 0.00 C ATOM 672 NE ARG A 48 1.638 -1.189 13.123 1.00 0.00 N ATOM 673 CZ ARG A 48 2.124 -0.352 14.042 1.00 0.00 C ATOM 674 NH1 ARG A 48 2.592 0.841 13.684 1.00 0.00 N ATOM 675 NH2 ARG A 48 2.145 -0.718 15.317 1.00 0.00 N ATOM 0 H ARG A 48 5.528 0.570 8.853 1.00 0.00 H new ATOM 0 HA ARG A 48 4.114 -1.834 8.717 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.670 -0.538 10.821 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.311 0.507 10.459 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.365 -2.172 10.093 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.305 -2.199 11.572 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.469 0.094 11.476 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.627 -1.434 11.304 1.00 0.00 H new ATOM 0 HE ARG A 48 1.291 -2.084 13.469 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.580 1.120 12.703 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.962 1.477 14.391 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.791 -1.635 15.590 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.515 -0.083 16.024 1.00 0.00 H new ATOM 689 N LEU A 49 2.379 0.864 7.793 1.00 0.00 N ATOM 690 CA LEU A 49 1.247 1.342 7.012 1.00 0.00 C ATOM 691 C LEU A 49 1.208 0.572 5.696 1.00 0.00 C ATOM 692 O LEU A 49 0.192 -0.036 5.389 1.00 0.00 O ATOM 693 CB LEU A 49 1.381 2.862 6.751 1.00 0.00 C ATOM 694 CG LEU A 49 0.045 3.629 6.639 1.00 0.00 C ATOM 695 CD1 LEU A 49 0.326 5.033 6.089 1.00 0.00 C ATOM 696 CD2 LEU A 49 -1.075 2.948 5.847 1.00 0.00 C ATOM 0 H LEU A 49 2.971 1.616 8.146 1.00 0.00 H new ATOM 0 HA LEU A 49 0.319 1.177 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.968 3.303 7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.944 3.008 5.829 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.355 3.662 7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.610 5.585 6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.999 5.561 6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.789 4.953 5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.958 3.587 5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.745 2.778 4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.321 1.993 6.312 1.00 0.00 H new ATOM 708 N PHE A 50 2.299 0.565 4.925 1.00 0.00 N ATOM 709 CA PHE A 50 2.389 -0.148 3.651 1.00 0.00 C ATOM 710 C PHE A 50 1.986 -1.616 3.796 1.00 0.00 C ATOM 711 O PHE A 50 1.210 -2.105 2.972 1.00 0.00 O ATOM 712 CB PHE A 50 3.800 0.011 3.086 1.00 0.00 C ATOM 713 CG PHE A 50 4.054 -0.872 1.882 1.00 0.00 C ATOM 714 CD1 PHE A 50 3.474 -0.534 0.645 1.00 0.00 C ATOM 715 CD2 PHE A 50 4.813 -2.057 2.010 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.685 -1.358 -0.468 1.00 0.00 C ATOM 717 CE2 PHE A 50 5.025 -2.884 0.891 1.00 0.00 C ATOM 718 CZ PHE A 50 4.473 -2.511 -0.345 1.00 0.00 C ATOM 0 H PHE A 50 3.155 1.061 5.173 1.00 0.00 H new ATOM 0 HA PHE A 50 1.681 0.288 2.946 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.959 1.053 2.807 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.526 -0.225 3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.869 0.356 0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.231 -2.329 2.968 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.241 -1.105 -1.420 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.603 -3.792 0.982 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.659 -3.123 -1.216 1.00 0.00 H new ATOM 728 N GLY A 51 2.428 -2.306 4.846 1.00 0.00 N ATOM 729 CA GLY A 51 2.005 -3.676 5.057 1.00 0.00 C ATOM 730 C GLY A 51 0.569 -3.794 5.547 1.00 0.00 C ATOM 731 O GLY A 51 0.032 -4.879 5.421 1.00 0.00 O ATOM 0 H GLY A 51 3.069 -1.940 5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.110 -4.229 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.669 -4.146 5.782 1.00 0.00 H new ATOM 735 N GLU A 52 -0.067 -2.761 6.103 1.00 0.00 N ATOM 736 CA GLU A 52 -1.364 -2.895 6.763 1.00 0.00 C ATOM 737 C GLU A 52 -2.535 -2.956 5.780 1.00 0.00 C ATOM 738 O GLU A 52 -3.469 -3.714 6.041 1.00 0.00 O ATOM 739 CB GLU A 52 -1.587 -1.759 7.783 1.00 0.00 C ATOM 740 CG GLU A 52 -1.046 -2.142 9.167 1.00 0.00 C ATOM 741 CD GLU A 52 -1.691 -1.319 10.277 1.00 0.00 C ATOM 742 OE1 GLU A 52 -1.304 -0.140 10.448 1.00 0.00 O ATOM 743 OE2 GLU A 52 -2.562 -1.868 10.997 1.00 0.00 O ATOM 0 H GLU A 52 0.303 -1.810 6.108 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.337 -3.850 7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.093 -0.852 7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.651 -1.535 7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.228 -3.201 9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.034 -1.996 9.188 1.00 0.00 H new ATOM 750 N SER A 53 -2.536 -2.165 4.702 1.00 0.00 N ATOM 751 CA SER A 53 -3.602 -2.172 3.702 1.00 0.00 C ATOM 752 C SER A 53 -3.225 -3.101 2.548 1.00 0.00 C ATOM 753 O SER A 53 -4.006 -3.985 2.203 1.00 0.00 O ATOM 754 CB SER A 53 -3.918 -0.763 3.192 1.00 0.00 C ATOM 755 OG SER A 53 -5.188 -0.783 2.568 1.00 0.00 O ATOM 0 H SER A 53 -1.791 -1.498 4.500 1.00 0.00 H new ATOM 0 HA SER A 53 -4.509 -2.546 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.914 -0.052 4.018 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.155 -0.436 2.486 1.00 0.00 H new ATOM 0 HG SER A 53 -5.404 0.114 2.238 1.00 0.00 H new ATOM 761 N ILE A 54 -2.062 -2.883 1.918 1.00 0.00 N ATOM 762 CA ILE A 54 -1.688 -3.575 0.689 1.00 0.00 C ATOM 763 C ILE A 54 -1.547 -5.053 1.003 1.00 0.00 C ATOM 764 O ILE A 54 -2.162 -5.879 0.326 1.00 0.00 O ATOM 765 CB ILE A 54 -0.390 -3.008 0.056 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.361 -1.476 -0.041 1.00 0.00 C ATOM 767 CG2 ILE A 54 -0.151 -3.599 -1.350 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.622 -0.829 -0.617 1.00 0.00 C ATOM 0 H ILE A 54 -1.359 -2.222 2.250 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.469 -3.419 -0.055 1.00 0.00 H new ATOM 0 HB ILE A 54 0.407 -3.308 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.188 -1.069 0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.490 -1.184 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.766 -3.183 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.058 -4.683 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.991 -3.349 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.497 0.254 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.790 -1.198 -1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.478 -1.081 0.008 1.00 0.00 H new ATOM 780 N LEU A 55 -0.708 -5.378 1.993 1.00 0.00 N ATOM 781 CA LEU A 55 -0.370 -6.763 2.258 1.00 0.00 C ATOM 782 C LEU A 55 -1.353 -7.321 3.292 1.00 0.00 C ATOM 783 O LEU A 55 -2.407 -7.833 2.923 1.00 0.00 O ATOM 784 CB LEU A 55 1.134 -6.862 2.591 1.00 0.00 C ATOM 785 CG LEU A 55 2.048 -6.220 1.516 1.00 0.00 C ATOM 786 CD1 LEU A 55 3.516 -6.525 1.805 1.00 0.00 C ATOM 787 CD2 LEU A 55 1.734 -6.693 0.096 1.00 0.00 C ATOM 0 H LEU A 55 -0.260 -4.703 2.612 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.492 -7.410 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.319 -6.378 3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.404 -7.912 2.707 1.00 0.00 H new ATOM 0 HG LEU A 55 1.855 -5.149 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.141 -6.066 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.786 -6.124 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.671 -7.604 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.409 -6.206 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.864 -7.773 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.704 -6.437 -0.153 1.00 0.00 H new ATOM 799 N GLY A 56 -1.052 -7.165 4.573 1.00 0.00 N ATOM 800 CA GLY A 56 -1.893 -7.512 5.705 1.00 0.00 C ATOM 801 C GLY A 56 -1.054 -7.775 6.955 1.00 0.00 C ATOM 802 O GLY A 56 -1.481 -8.567 7.797 1.00 0.00 O ATOM 0 H GLY A 56 -0.159 -6.768 4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.597 -6.703 5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.482 -8.397 5.466 1.00 0.00 H new ATOM 806 N LEU A 57 0.153 -7.201 7.084 1.00 0.00 N ATOM 807 CA LEU A 57 1.232 -7.728 7.925 1.00 0.00 C ATOM 808 C LEU A 57 1.735 -6.688 8.918 1.00 0.00 C ATOM 809 O LEU A 57 1.567 -5.489 8.703 1.00 0.00 O ATOM 810 CB LEU A 57 2.393 -8.160 7.018 1.00 0.00 C ATOM 811 CG LEU A 57 2.033 -9.374 6.146 1.00 0.00 C ATOM 812 CD1 LEU A 57 2.928 -9.440 4.909 1.00 0.00 C ATOM 813 CD2 LEU A 57 2.078 -10.692 6.924 1.00 0.00 C ATOM 0 H LEU A 57 0.408 -6.342 6.596 1.00 0.00 H new ATOM 0 HA LEU A 57 0.843 -8.572 8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.679 -7.327 6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.260 -8.401 7.632 1.00 0.00 H new ATOM 0 HG LEU A 57 1.001 -9.235 5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.654 -10.307 4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.799 -8.533 4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.970 -9.527 5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.815 -11.516 6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.083 -10.849 7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.368 -10.651 7.750 1.00 0.00 H new ATOM 825 N THR A 58 2.368 -7.154 9.992 1.00 0.00 N ATOM 826 CA THR A 58 2.959 -6.299 11.009 1.00 0.00 C ATOM 827 C THR A 58 4.321 -5.767 10.541 1.00 0.00 C ATOM 828 O THR A 58 4.890 -6.245 9.552 1.00 0.00 O ATOM 829 CB THR A 58 3.026 -7.074 12.335 1.00 0.00 C ATOM 830 OG1 THR A 58 3.590 -8.357 12.157 1.00 0.00 O ATOM 831 CG2 THR A 58 1.623 -7.236 12.923 1.00 0.00 C ATOM 0 H THR A 58 2.484 -8.150 10.179 1.00 0.00 H new ATOM 0 HA THR A 58 2.339 -5.418 11.176 1.00 0.00 H new ATOM 0 HB THR A 58 3.657 -6.501 13.014 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.620 -8.823 13.018 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.683 -7.786 13.862 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.189 -6.253 13.106 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.995 -7.784 12.221 1.00 0.00 H new ATOM 839 N GLN A 59 4.861 -4.765 11.250 1.00 0.00 N ATOM 840 CA GLN A 59 6.077 -4.081 10.821 1.00 0.00 C ATOM 841 C GLN A 59 7.254 -5.053 10.749 1.00 0.00 C ATOM 842 O GLN A 59 8.029 -4.970 9.802 1.00 0.00 O ATOM 843 CB GLN A 59 6.424 -2.915 11.759 1.00 0.00 C ATOM 844 CG GLN A 59 7.458 -1.959 11.141 1.00 0.00 C ATOM 845 CD GLN A 59 8.019 -0.988 12.179 1.00 0.00 C ATOM 846 OE1 GLN A 59 7.283 -0.221 12.797 1.00 0.00 O ATOM 847 NE2 GLN A 59 9.328 -0.979 12.378 1.00 0.00 N ATOM 0 H GLN A 59 4.469 -4.414 12.124 1.00 0.00 H new ATOM 0 HA GLN A 59 5.888 -3.680 9.825 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.516 -2.361 11.997 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.812 -3.310 12.698 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.273 -2.537 10.705 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.995 -1.397 10.329 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.927 -1.621 11.859 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.737 -0.331 13.051 1.00 0.00 H new ATOM 856 N GLY A 60 7.408 -5.948 11.729 1.00 0.00 N ATOM 857 CA GLY A 60 8.516 -6.892 11.760 1.00 0.00 C ATOM 858 C GLY A 60 8.506 -7.778 10.521 1.00 0.00 C ATOM 859 O GLY A 60 9.534 -7.919 9.859 1.00 0.00 O ATOM 0 H GLY A 60 6.768 -6.034 12.518 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.460 -6.350 11.818 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.448 -7.510 12.655 1.00 0.00 H new ATOM 863 N SER A 61 7.344 -8.339 10.189 1.00 0.00 N ATOM 864 CA SER A 61 7.168 -9.242 9.066 1.00 0.00 C ATOM 865 C SER A 61 7.395 -8.510 7.748 1.00 0.00 C ATOM 866 O SER A 61 8.064 -9.026 6.856 1.00 0.00 O ATOM 867 CB SER A 61 5.767 -9.867 9.135 1.00 0.00 C ATOM 868 OG SER A 61 5.605 -10.464 10.412 1.00 0.00 O ATOM 0 H SER A 61 6.483 -8.171 10.709 1.00 0.00 H new ATOM 0 HA SER A 61 7.907 -10.042 9.119 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.004 -9.106 8.973 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.645 -10.613 8.350 1.00 0.00 H new ATOM 0 HG SER A 61 4.714 -10.867 10.474 1.00 0.00 H new ATOM 874 N VAL A 62 6.854 -7.305 7.584 1.00 0.00 N ATOM 875 CA VAL A 62 7.016 -6.578 6.333 1.00 0.00 C ATOM 876 C VAL A 62 8.446 -6.024 6.200 1.00 0.00 C ATOM 877 O VAL A 62 8.985 -5.969 5.095 1.00 0.00 O ATOM 878 CB VAL A 62 5.871 -5.550 6.218 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.244 -4.120 6.613 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.301 -5.553 4.803 1.00 0.00 C ATOM 0 H VAL A 62 6.307 -6.818 8.294 1.00 0.00 H new ATOM 0 HA VAL A 62 6.922 -7.232 5.466 1.00 0.00 H new ATOM 0 HB VAL A 62 5.125 -5.875 6.943 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.375 -3.472 6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.574 -4.104 7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.049 -3.763 5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.494 -4.824 4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.087 -5.293 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.915 -6.545 4.568 1.00 0.00 H new ATOM 890 N SER A 63 9.102 -5.673 7.311 1.00 0.00 N ATOM 891 CA SER A 63 10.498 -5.272 7.325 1.00 0.00 C ATOM 892 C SER A 63 11.367 -6.471 6.947 1.00 0.00 C ATOM 893 O SER A 63 12.300 -6.312 6.162 1.00 0.00 O ATOM 894 CB SER A 63 10.860 -4.688 8.700 1.00 0.00 C ATOM 895 OG SER A 63 12.175 -4.157 8.722 1.00 0.00 O ATOM 0 H SER A 63 8.666 -5.662 8.233 1.00 0.00 H new ATOM 0 HA SER A 63 10.679 -4.487 6.590 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.148 -3.904 8.960 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.770 -5.465 9.459 1.00 0.00 H new ATOM 0 HG SER A 63 12.366 -3.794 9.612 1.00 0.00 H new ATOM 901 N ASP A 64 11.101 -7.667 7.486 1.00 0.00 N ATOM 902 CA ASP A 64 11.748 -8.904 7.044 1.00 0.00 C ATOM 903 C ASP A 64 11.604 -9.048 5.533 1.00 0.00 C ATOM 904 O ASP A 64 12.602 -9.289 4.860 1.00 0.00 O ATOM 905 CB ASP A 64 11.182 -10.139 7.761 1.00 0.00 C ATOM 906 CG ASP A 64 11.562 -11.424 7.018 1.00 0.00 C ATOM 907 OD1 ASP A 64 12.778 -11.708 6.916 1.00 0.00 O ATOM 908 OD2 ASP A 64 10.648 -12.112 6.511 1.00 0.00 O ATOM 0 H ASP A 64 10.430 -7.802 8.242 1.00 0.00 H new ATOM 0 HA ASP A 64 12.805 -8.841 7.304 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.562 -10.178 8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.097 -10.060 7.828 1.00 0.00 H new ATOM 913 N LEU A 65 10.403 -8.816 4.993 1.00 0.00 N ATOM 914 CA LEU A 65 10.167 -8.957 3.567 1.00 0.00 C ATOM 915 C LEU A 65 11.024 -8.002 2.747 1.00 0.00 C ATOM 916 O LEU A 65 11.639 -8.417 1.767 1.00 0.00 O ATOM 917 CB LEU A 65 8.680 -8.745 3.245 1.00 0.00 C ATOM 918 CG LEU A 65 8.279 -9.582 2.027 1.00 0.00 C ATOM 919 CD1 LEU A 65 8.124 -11.045 2.459 1.00 0.00 C ATOM 920 CD2 LEU A 65 6.972 -9.065 1.427 1.00 0.00 C ATOM 0 H LEU A 65 9.584 -8.530 5.529 1.00 0.00 H new ATOM 0 HA LEU A 65 10.453 -9.972 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.071 -9.025 4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.489 -7.690 3.049 1.00 0.00 H new ATOM 0 HG LEU A 65 9.053 -9.505 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.838 -11.650 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.070 -11.408 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.353 -11.118 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.703 -9.672 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.180 -9.126 2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.099 -8.028 1.116 1.00 0.00 H new ATOM 932 N LEU A 66 11.042 -6.722 3.126 1.00 0.00 N ATOM 933 CA LEU A 66 11.707 -5.674 2.365 1.00 0.00 C ATOM 934 C LEU A 66 13.223 -5.720 2.508 1.00 0.00 C ATOM 935 O LEU A 66 13.941 -5.333 1.589 1.00 0.00 O ATOM 936 CB LEU A 66 11.139 -4.312 2.794 1.00 0.00 C ATOM 937 CG LEU A 66 9.676 -4.100 2.357 1.00 0.00 C ATOM 938 CD1 LEU A 66 9.128 -2.783 2.909 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.565 -4.129 0.834 1.00 0.00 C ATOM 0 H LEU A 66 10.591 -6.386 3.977 1.00 0.00 H new ATOM 0 HA LEU A 66 11.507 -5.835 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.204 -4.224 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.756 -3.519 2.372 1.00 0.00 H new ATOM 0 HG LEU A 66 9.077 -4.914 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.094 -2.656 2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.170 -2.800 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.729 -1.954 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.526 -3.978 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.180 -3.336 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.910 -5.094 0.462 1.00 0.00 H new ATOM 951 N SER A 67 13.702 -6.195 3.650 1.00 0.00 N ATOM 952 CA SER A 67 15.118 -6.387 3.929 1.00 0.00 C ATOM 953 C SER A 67 15.634 -7.660 3.261 1.00 0.00 C ATOM 954 O SER A 67 16.688 -7.641 2.624 1.00 0.00 O ATOM 955 CB SER A 67 15.337 -6.434 5.446 1.00 0.00 C ATOM 956 OG SER A 67 16.717 -6.388 5.779 1.00 0.00 O ATOM 0 H SER A 67 13.100 -6.464 4.428 1.00 0.00 H new ATOM 0 HA SER A 67 15.681 -5.549 3.517 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.821 -5.596 5.914 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.895 -7.345 5.849 1.00 0.00 H new ATOM 0 HG SER A 67 16.820 -6.418 6.753 1.00 0.00 H new ATOM 962 N ARG A 68 14.954 -8.794 3.450 1.00 0.00 N ATOM 963 CA ARG A 68 15.455 -10.123 3.110 1.00 0.00 C ATOM 964 C ARG A 68 14.434 -10.870 2.252 1.00 0.00 C ATOM 965 O ARG A 68 14.014 -11.966 2.646 1.00 0.00 O ATOM 966 CB ARG A 68 15.785 -10.914 4.393 1.00 0.00 C ATOM 967 CG ARG A 68 16.754 -10.225 5.357 1.00 0.00 C ATOM 968 CD ARG A 68 17.490 -11.304 6.161 1.00 0.00 C ATOM 969 NE ARG A 68 18.360 -10.757 7.207 1.00 0.00 N ATOM 970 CZ ARG A 68 19.520 -10.121 7.030 1.00 0.00 C ATOM 971 NH1 ARG A 68 19.905 -9.683 5.837 1.00 0.00 N ATOM 972 NH2 ARG A 68 20.293 -9.921 8.084 1.00 0.00 N ATOM 0 H ARG A 68 14.017 -8.811 3.854 1.00 0.00 H new ATOM 0 HA ARG A 68 16.372 -10.018 2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.855 -11.118 4.923 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.207 -11.878 4.107 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.466 -9.612 4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 68 16.212 -9.558 6.027 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.758 -11.969 6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.089 -11.909 5.480 1.00 0.00 H new ATOM 0 HE ARG A 68 18.046 -10.875 8.170 1.00 0.00 H new ATOM 0 HH11 ARG A 68 19.308 -9.829 5.023 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.798 -9.200 5.735 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.997 -10.250 9.003 1.00 0.00 H new ATOM 0 HH22 ARG A 68 21.185 -9.438 7.978 1.00 0.00 H new ATOM 986 N PRO A 69 14.063 -10.368 1.063 1.00 0.00 N ATOM 987 CA PRO A 69 13.155 -11.098 0.193 1.00 0.00 C ATOM 988 C PRO A 69 13.801 -12.425 -0.203 1.00 0.00 C ATOM 989 O PRO A 69 14.992 -12.468 -0.526 1.00 0.00 O ATOM 990 CB PRO A 69 12.918 -10.182 -1.002 1.00 0.00 C ATOM 991 CG PRO A 69 14.186 -9.330 -1.073 1.00 0.00 C ATOM 992 CD PRO A 69 14.574 -9.175 0.398 1.00 0.00 C ATOM 0 HA PRO A 69 12.206 -11.348 0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.769 -10.753 -1.919 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.030 -9.565 -0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.971 -9.820 -1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 69 13.999 -8.366 -1.546 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.655 -9.094 0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.140 -8.271 0.825 1.00 0.00 H new ATOM 1000 N LYS A 70 13.077 -13.537 -0.123 1.00 0.00 N ATOM 1001 CA LYS A 70 13.478 -14.763 -0.792 1.00 0.00 C ATOM 1002 C LYS A 70 13.341 -14.555 -2.302 1.00 0.00 C ATOM 1003 O LYS A 70 12.540 -13.720 -2.728 1.00 0.00 O ATOM 1004 CB LYS A 70 12.614 -15.945 -0.322 1.00 0.00 C ATOM 1005 CG LYS A 70 13.271 -16.720 0.826 1.00 0.00 C ATOM 1006 CD LYS A 70 13.198 -16.068 2.212 1.00 0.00 C ATOM 1007 CE LYS A 70 11.778 -16.113 2.781 1.00 0.00 C ATOM 1008 NZ LYS A 70 11.751 -15.644 4.180 1.00 0.00 N ATOM 0 H LYS A 70 12.206 -13.611 0.402 1.00 0.00 H new ATOM 0 HA LYS A 70 14.513 -14.999 -0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.641 -15.576 0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.437 -16.620 -1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.806 -17.704 0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.320 -16.878 0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.879 -16.579 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.532 -15.032 2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.120 -15.492 2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.394 -17.132 2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.777 -15.685 4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.362 -16.252 4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.096 -14.664 4.224 1.00 0.00 H new ATOM 1022 N PRO A 71 14.081 -15.320 -3.113 1.00 0.00 N ATOM 1023 CA PRO A 71 13.908 -15.303 -4.554 1.00 0.00 C ATOM 1024 C PRO A 71 12.533 -15.882 -4.892 1.00 0.00 C ATOM 1025 O PRO A 71 11.984 -16.683 -4.128 1.00 0.00 O ATOM 1026 CB PRO A 71 15.068 -16.135 -5.106 1.00 0.00 C ATOM 1027 CG PRO A 71 15.460 -17.065 -3.975 1.00 0.00 C ATOM 1028 CD PRO A 71 15.055 -16.317 -2.706 1.00 0.00 C ATOM 0 HA PRO A 71 13.931 -14.306 -4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.765 -16.696 -5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.903 -15.500 -5.402 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.945 -18.023 -4.052 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.529 -17.276 -3.987 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.628 -17.000 -1.972 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.920 -15.847 -2.239 1.00 0.00 H new ATOM 1036 N TRP A 72 11.990 -15.530 -6.054 1.00 0.00 N ATOM 1037 CA TRP A 72 10.673 -15.963 -6.499 1.00 0.00 C ATOM 1038 C TRP A 72 10.563 -17.488 -6.479 1.00 0.00 C ATOM 1039 O TRP A 72 9.566 -18.019 -5.986 1.00 0.00 O ATOM 1040 CB TRP A 72 10.399 -15.390 -7.890 1.00 0.00 C ATOM 1041 CG TRP A 72 9.045 -15.696 -8.450 1.00 0.00 C ATOM 1042 CD1 TRP A 72 8.756 -16.722 -9.281 1.00 0.00 C ATOM 1043 CD2 TRP A 72 7.792 -14.966 -8.276 1.00 0.00 C ATOM 1044 NE1 TRP A 72 7.448 -16.643 -9.678 1.00 0.00 N ATOM 1045 CE2 TRP A 72 6.792 -15.613 -9.058 1.00 0.00 C ATOM 1046 CE3 TRP A 72 7.390 -13.825 -7.548 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 5.464 -15.185 -9.096 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 6.053 -13.380 -7.578 1.00 0.00 C ATOM 1049 CH2 TRP A 72 5.096 -14.057 -8.356 1.00 0.00 C ATOM 0 H TRP A 72 12.464 -14.924 -6.724 1.00 0.00 H new ATOM 0 HA TRP A 72 9.915 -15.586 -5.813 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.522 -14.308 -7.850 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.154 -15.772 -8.578 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.452 -17.489 -9.586 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.015 -17.274 -10.353 1.00 0.00 H new ATOM 0 HE3 TRP A 72 8.117 -13.285 -6.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.733 -15.716 -9.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.762 -12.515 -7.001 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.075 -13.705 -8.382 1.00 0.00 H new ATOM 1060 N HIS A 73 11.593 -18.213 -6.934 1.00 0.00 N ATOM 1061 CA HIS A 73 11.573 -19.674 -6.943 1.00 0.00 C ATOM 1062 C HIS A 73 11.505 -20.277 -5.528 1.00 0.00 C ATOM 1063 O HIS A 73 10.955 -21.361 -5.341 1.00 0.00 O ATOM 1064 CB HIS A 73 12.771 -20.233 -7.726 1.00 0.00 C ATOM 1065 CG HIS A 73 14.075 -20.215 -6.970 1.00 0.00 C ATOM 1066 ND1 HIS A 73 15.118 -19.339 -7.149 1.00 0.00 N ATOM 1067 CD2 HIS A 73 14.431 -21.083 -5.977 1.00 0.00 C ATOM 1068 CE1 HIS A 73 16.081 -19.669 -6.272 1.00 0.00 C ATOM 1069 NE2 HIS A 73 15.703 -20.725 -5.526 1.00 0.00 N ATOM 0 H HIS A 73 12.453 -17.805 -7.302 1.00 0.00 H new ATOM 0 HA HIS A 73 10.656 -19.973 -7.451 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.550 -21.259 -8.020 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.890 -19.657 -8.644 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.833 -21.902 -5.606 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.028 -19.158 -6.178 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.238 -21.173 -4.782 1.00 0.00 H new ATOM 1077 N LYS A 74 12.067 -19.617 -4.506 1.00 0.00 N ATOM 1078 CA LYS A 74 12.006 -20.097 -3.119 1.00 0.00 C ATOM 1079 C LYS A 74 10.601 -19.920 -2.559 1.00 0.00 C ATOM 1080 O LYS A 74 10.221 -20.611 -1.608 1.00 0.00 O ATOM 1081 CB LYS A 74 13.004 -19.313 -2.249 1.00 0.00 C ATOM 1082 CG LYS A 74 14.428 -19.894 -2.292 1.00 0.00 C ATOM 1083 CD LYS A 74 14.623 -20.975 -1.224 1.00 0.00 C ATOM 1084 CE LYS A 74 15.996 -21.660 -1.309 1.00 0.00 C ATOM 1085 NZ LYS A 74 17.060 -20.923 -0.592 1.00 0.00 N ATOM 0 H LYS A 74 12.575 -18.739 -4.617 1.00 0.00 H new ATOM 0 HA LYS A 74 12.264 -21.156 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.031 -18.276 -2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.651 -19.307 -1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.621 -20.316 -3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 74 15.153 -19.095 -2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.506 -20.528 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.841 -21.727 -1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.919 -22.666 -0.897 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.278 -21.765 -2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.961 -21.435 -0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.158 -19.971 -1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.810 -20.844 0.414 1.00 0.00 H new ATOM 1099 N LEU A 75 9.836 -18.971 -3.085 1.00 0.00 N ATOM 1100 CA LEU A 75 8.481 -18.716 -2.646 1.00 0.00 C ATOM 1101 C LEU A 75 7.559 -19.668 -3.406 1.00 0.00 C ATOM 1102 O LEU A 75 7.791 -19.993 -4.573 1.00 0.00 O ATOM 1103 CB LEU A 75 8.130 -17.244 -2.906 1.00 0.00 C ATOM 1104 CG LEU A 75 9.018 -16.244 -2.136 1.00 0.00 C ATOM 1105 CD1 LEU A 75 8.911 -14.866 -2.780 1.00 0.00 C ATOM 1106 CD2 LEU A 75 8.636 -16.154 -0.654 1.00 0.00 C ATOM 0 H LEU A 75 10.147 -18.354 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 75 8.366 -18.892 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.216 -17.043 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.088 -17.075 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 75 10.045 -16.605 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.538 -14.160 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.243 -14.922 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.875 -14.529 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.288 -15.438 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.600 -15.826 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.748 -17.134 -0.189 1.00 0.00 H new ATOM 1118 N SER A 76 6.505 -20.124 -2.744 1.00 0.00 N ATOM 1119 CA SER A 76 5.346 -20.728 -3.391 1.00 0.00 C ATOM 1120 C SER A 76 4.341 -19.611 -3.695 1.00 0.00 C ATOM 1121 O SER A 76 4.591 -18.463 -3.330 1.00 0.00 O ATOM 1122 CB SER A 76 4.771 -21.786 -2.450 1.00 0.00 C ATOM 1123 OG SER A 76 5.745 -22.789 -2.193 1.00 0.00 O ATOM 0 H SER A 76 6.429 -20.085 -1.728 1.00 0.00 H new ATOM 0 HA SER A 76 5.604 -21.219 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.460 -21.322 -1.514 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.883 -22.235 -2.894 1.00 0.00 H new ATOM 0 HG SER A 76 5.369 -23.462 -1.588 1.00 0.00 H new ATOM 1129 N LEU A 77 3.191 -19.897 -4.311 1.00 0.00 N ATOM 1130 CA LEU A 77 2.182 -18.869 -4.624 1.00 0.00 C ATOM 1131 C LEU A 77 1.793 -18.054 -3.382 1.00 0.00 C ATOM 1132 O LEU A 77 1.804 -16.827 -3.403 1.00 0.00 O ATOM 1133 CB LEU A 77 0.941 -19.487 -5.279 1.00 0.00 C ATOM 1134 CG LEU A 77 1.226 -20.310 -6.548 1.00 0.00 C ATOM 1135 CD1 LEU A 77 -0.097 -20.859 -7.066 1.00 0.00 C ATOM 1136 CD2 LEU A 77 1.949 -19.548 -7.665 1.00 0.00 C ATOM 0 H LEU A 77 2.930 -20.838 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 77 2.637 -18.183 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.444 -20.128 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.243 -18.688 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 77 1.915 -21.104 -6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.081 -21.447 -7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.552 -21.492 -6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.768 -20.032 -7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.105 -20.211 -8.516 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.344 -18.696 -7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.913 -19.194 -7.299 1.00 0.00 H new ATOM 1148 N LYS A 78 1.552 -18.723 -2.256 1.00 0.00 N ATOM 1149 CA LYS A 78 1.315 -18.091 -0.959 1.00 0.00 C ATOM 1150 C LYS A 78 2.464 -17.183 -0.497 1.00 0.00 C ATOM 1151 O LYS A 78 2.231 -16.222 0.230 1.00 0.00 O ATOM 1152 CB LYS A 78 0.943 -19.121 0.117 1.00 0.00 C ATOM 1153 CG LYS A 78 1.698 -20.463 0.094 1.00 0.00 C ATOM 1154 CD LYS A 78 1.044 -21.475 -0.870 1.00 0.00 C ATOM 1155 CE LYS A 78 1.435 -22.936 -0.641 1.00 0.00 C ATOM 1156 NZ LYS A 78 1.046 -23.461 0.679 1.00 0.00 N ATOM 0 H LYS A 78 1.515 -19.742 -2.219 1.00 0.00 H new ATOM 0 HA LYS A 78 0.458 -17.434 -1.106 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.099 -18.662 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.123 -19.331 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.732 -20.293 -0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.722 -20.883 1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.039 -21.387 -0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.306 -21.201 -1.892 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.974 -23.550 -1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.514 -23.035 -0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.173 -24.493 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.642 -23.029 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.048 -23.232 0.863 1.00 0.00 H new ATOM 1170 N GLY A 79 3.696 -17.447 -0.923 1.00 0.00 N ATOM 1171 CA GLY A 79 4.846 -16.585 -0.684 1.00 0.00 C ATOM 1172 C GLY A 79 4.935 -15.424 -1.669 1.00 0.00 C ATOM 1173 O GLY A 79 5.582 -14.420 -1.383 1.00 0.00 O ATOM 0 H GLY A 79 3.926 -18.286 -1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.793 -16.190 0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.758 -17.179 -0.747 1.00 0.00 H new ATOM 1177 N ARG A 80 4.320 -15.544 -2.844 1.00 0.00 N ATOM 1178 CA ARG A 80 4.407 -14.582 -3.932 1.00 0.00 C ATOM 1179 C ARG A 80 3.270 -13.574 -3.915 1.00 0.00 C ATOM 1180 O ARG A 80 3.458 -12.475 -4.427 1.00 0.00 O ATOM 1181 CB ARG A 80 4.380 -15.386 -5.221 1.00 0.00 C ATOM 1182 CG ARG A 80 5.653 -16.220 -5.369 1.00 0.00 C ATOM 1183 CD ARG A 80 5.389 -17.305 -6.407 1.00 0.00 C ATOM 1184 NE ARG A 80 6.604 -18.067 -6.702 1.00 0.00 N ATOM 1185 CZ ARG A 80 6.776 -18.969 -7.672 1.00 0.00 C ATOM 1186 NH1 ARG A 80 5.813 -19.262 -8.541 1.00 0.00 N ATOM 1187 NH2 ARG A 80 7.951 -19.569 -7.733 1.00 0.00 N ATOM 0 H ARG A 80 3.727 -16.343 -3.069 1.00 0.00 H new ATOM 0 HA ARG A 80 5.322 -13.998 -3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.508 -16.041 -5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.280 -14.713 -6.072 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.487 -15.590 -5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.929 -16.666 -4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.614 -17.979 -6.042 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.011 -16.851 -7.323 1.00 0.00 H new ATOM 0 HE ARG A 80 7.408 -17.889 -6.100 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.910 -18.793 -8.479 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.978 -19.956 -9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.678 -19.336 -7.057 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.131 -20.266 -8.456 1.00 0.00 H new ATOM 1201 N GLU A 81 2.161 -13.904 -3.250 1.00 0.00 N ATOM 1202 CA GLU A 81 1.041 -13.029 -2.921 1.00 0.00 C ATOM 1203 C GLU A 81 1.498 -11.590 -2.648 1.00 0.00 C ATOM 1204 O GLU A 81 1.035 -10.686 -3.349 1.00 0.00 O ATOM 1205 CB GLU A 81 0.342 -13.611 -1.668 1.00 0.00 C ATOM 1206 CG GLU A 81 -0.953 -14.397 -1.892 1.00 0.00 C ATOM 1207 CD GLU A 81 -1.309 -15.247 -0.654 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -1.100 -14.785 0.492 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -1.784 -16.393 -0.802 1.00 0.00 O ATOM 0 H GLU A 81 2.015 -14.853 -2.906 1.00 0.00 H new ATOM 0 HA GLU A 81 0.357 -12.987 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.050 -14.265 -1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.124 -12.787 -0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.768 -13.707 -2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.843 -15.044 -2.762 1.00 0.00 H new ATOM 1216 N PRO A 82 2.416 -11.339 -1.694 1.00 0.00 N ATOM 1217 CA PRO A 82 2.791 -9.984 -1.357 1.00 0.00 C ATOM 1218 C PRO A 82 3.520 -9.311 -2.517 1.00 0.00 C ATOM 1219 O PRO A 82 3.147 -8.211 -2.900 1.00 0.00 O ATOM 1220 CB PRO A 82 3.642 -10.079 -0.087 1.00 0.00 C ATOM 1221 CG PRO A 82 4.219 -11.489 -0.169 1.00 0.00 C ATOM 1222 CD PRO A 82 3.081 -12.275 -0.801 1.00 0.00 C ATOM 0 HA PRO A 82 1.920 -9.355 -1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.426 -9.322 -0.068 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.043 -9.939 0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.122 -11.523 -0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.483 -11.877 0.815 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.457 -13.140 -1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.394 -12.651 -0.043 1.00 0.00 H new ATOM 1230 N PHE A 83 4.540 -9.949 -3.095 1.00 0.00 N ATOM 1231 CA PHE A 83 5.361 -9.352 -4.143 1.00 0.00 C ATOM 1232 C PHE A 83 4.541 -9.031 -5.396 1.00 0.00 C ATOM 1233 O PHE A 83 4.812 -8.016 -6.034 1.00 0.00 O ATOM 1234 CB PHE A 83 6.556 -10.258 -4.457 1.00 0.00 C ATOM 1235 CG PHE A 83 7.445 -10.534 -3.262 1.00 0.00 C ATOM 1236 CD1 PHE A 83 8.459 -9.626 -2.911 1.00 0.00 C ATOM 1237 CD2 PHE A 83 7.247 -11.689 -2.486 1.00 0.00 C ATOM 1238 CE1 PHE A 83 9.249 -9.868 -1.777 1.00 0.00 C ATOM 1239 CE2 PHE A 83 8.044 -11.932 -1.355 1.00 0.00 C ATOM 1240 CZ PHE A 83 9.051 -11.022 -1.002 1.00 0.00 C ATOM 0 H PHE A 83 4.818 -10.898 -2.846 1.00 0.00 H new ATOM 0 HA PHE A 83 5.744 -8.400 -3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.188 -11.205 -4.851 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.153 -9.796 -5.243 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.629 -8.745 -3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.477 -12.394 -2.761 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.016 -9.161 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.882 -12.818 -0.759 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.671 -11.208 -0.138 1.00 0.00 H new ATOM 1250 N VAL A 84 3.516 -9.829 -5.715 1.00 0.00 N ATOM 1251 CA VAL A 84 2.544 -9.495 -6.751 1.00 0.00 C ATOM 1252 C VAL A 84 1.823 -8.207 -6.361 1.00 0.00 C ATOM 1253 O VAL A 84 1.838 -7.251 -7.132 1.00 0.00 O ATOM 1254 CB VAL A 84 1.593 -10.684 -6.996 1.00 0.00 C ATOM 1255 CG1 VAL A 84 0.444 -10.372 -7.964 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.393 -11.849 -7.586 1.00 0.00 C ATOM 0 H VAL A 84 3.341 -10.724 -5.259 1.00 0.00 H new ATOM 0 HA VAL A 84 3.043 -9.311 -7.702 1.00 0.00 H new ATOM 0 HB VAL A 84 1.153 -10.925 -6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.180 -11.257 -8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.157 -9.556 -7.564 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.852 -10.081 -8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.728 -12.694 -7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.845 -11.540 -8.529 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.176 -12.143 -6.887 1.00 0.00 H new ATOM 1266 N ARG A 85 1.222 -8.141 -5.166 1.00 0.00 N ATOM 1267 CA ARG A 85 0.506 -6.944 -4.735 1.00 0.00 C ATOM 1268 C ARG A 85 1.424 -5.723 -4.761 1.00 0.00 C ATOM 1269 O ARG A 85 0.971 -4.652 -5.136 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.095 -7.155 -3.336 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.263 -8.148 -3.330 1.00 0.00 C ATOM 1272 CD ARG A 85 -1.707 -8.454 -1.893 1.00 0.00 C ATOM 1273 NE ARG A 85 -3.148 -8.745 -1.787 1.00 0.00 N ATOM 1274 CZ ARG A 85 -4.141 -7.846 -1.841 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -3.877 -6.563 -2.062 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -5.388 -8.248 -1.650 1.00 0.00 N ATOM 0 H ARG A 85 1.220 -8.902 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.311 -6.760 -5.433 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.683 -7.514 -2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.438 -6.197 -2.945 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.100 -7.737 -3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.965 -9.071 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.141 -9.306 -1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.465 -7.604 -1.255 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.415 -9.721 -1.661 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.913 -6.256 -2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.638 -5.885 -2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.584 -9.232 -1.464 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.153 -7.574 -1.688 1.00 0.00 H new ATOM 1290 N MET A 86 2.703 -5.854 -4.400 1.00 0.00 N ATOM 1291 CA MET A 86 3.682 -4.796 -4.489 1.00 0.00 C ATOM 1292 C MET A 86 3.907 -4.355 -5.935 1.00 0.00 C ATOM 1293 O MET A 86 3.815 -3.165 -6.197 1.00 0.00 O ATOM 1294 CB MET A 86 4.980 -5.264 -3.837 1.00 0.00 C ATOM 1295 CG MET A 86 4.814 -5.493 -2.332 1.00 0.00 C ATOM 1296 SD MET A 86 6.323 -5.304 -1.355 1.00 0.00 S ATOM 1297 CE MET A 86 7.004 -6.936 -1.637 1.00 0.00 C ATOM 0 H MET A 86 3.084 -6.725 -4.030 1.00 0.00 H new ATOM 0 HA MET A 86 3.309 -3.921 -3.956 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.311 -6.188 -4.310 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.760 -4.522 -4.007 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.066 -4.796 -1.955 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.421 -6.498 -2.174 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.878 -7.081 -1.001 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.253 -7.690 -1.399 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.296 -7.033 -2.683 1.00 0.00 H new ATOM 1307 N GLN A 87 4.199 -5.268 -6.868 1.00 0.00 N ATOM 1308 CA GLN A 87 4.378 -4.940 -8.285 1.00 0.00 C ATOM 1309 C GLN A 87 3.154 -4.183 -8.833 1.00 0.00 C ATOM 1310 O GLN A 87 3.316 -3.199 -9.556 1.00 0.00 O ATOM 1311 CB GLN A 87 4.650 -6.230 -9.079 1.00 0.00 C ATOM 1312 CG GLN A 87 4.853 -6.032 -10.592 1.00 0.00 C ATOM 1313 CD GLN A 87 6.171 -5.339 -10.955 1.00 0.00 C ATOM 1314 OE1 GLN A 87 6.313 -4.122 -10.866 1.00 0.00 O ATOM 1315 NE2 GLN A 87 7.159 -6.094 -11.401 1.00 0.00 N ATOM 0 H GLN A 87 4.318 -6.259 -6.659 1.00 0.00 H new ATOM 0 HA GLN A 87 5.237 -4.278 -8.395 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.538 -6.711 -8.668 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.816 -6.915 -8.926 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.817 -7.004 -11.084 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.024 -5.444 -10.986 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.036 -7.104 -11.473 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.044 -5.667 -11.673 1.00 0.00 H new ATOM 1324 N LEU A 88 1.940 -4.634 -8.499 1.00 0.00 N ATOM 1325 CA LEU A 88 0.713 -4.007 -8.980 1.00 0.00 C ATOM 1326 C LEU A 88 0.424 -2.685 -8.266 1.00 0.00 C ATOM 1327 O LEU A 88 -0.080 -1.761 -8.905 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.493 -4.956 -8.847 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.709 -5.976 -9.984 1.00 0.00 C ATOM 1330 CD1 LEU A 88 -0.640 -5.351 -11.381 1.00 0.00 C ATOM 1331 CD2 LEU A 88 0.254 -7.159 -9.896 1.00 0.00 C ATOM 0 H LEU A 88 1.785 -5.439 -7.892 1.00 0.00 H new ATOM 0 HA LEU A 88 0.870 -3.790 -10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.389 -5.507 -7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.394 -4.349 -8.761 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.725 -6.343 -9.838 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.800 -6.123 -12.133 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.411 -4.586 -11.476 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.340 -4.898 -11.529 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.061 -7.848 -10.719 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.281 -6.798 -9.959 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.109 -7.677 -8.948 1.00 0.00 H new ATOM 1343 N TRP A 89 0.751 -2.553 -6.977 1.00 0.00 N ATOM 1344 CA TRP A 89 0.660 -1.292 -6.245 1.00 0.00 C ATOM 1345 C TRP A 89 1.603 -0.289 -6.909 1.00 0.00 C ATOM 1346 O TRP A 89 1.212 0.834 -7.181 1.00 0.00 O ATOM 1347 CB TRP A 89 1.000 -1.528 -4.762 1.00 0.00 C ATOM 1348 CG TRP A 89 1.018 -0.336 -3.850 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.059 0.224 -3.257 1.00 0.00 C ATOM 1350 CD2 TRP A 89 2.164 0.439 -3.383 1.00 0.00 C ATOM 1351 NE1 TRP A 89 0.335 1.298 -2.482 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.702 1.446 -2.482 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.551 0.387 -3.628 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 2.570 2.333 -1.827 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 4.439 1.258 -2.969 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.954 2.209 -2.054 1.00 0.00 C ATOM 0 H TRP A 89 1.090 -3.329 -6.409 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.352 -0.887 -6.276 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.281 -2.244 -4.363 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.981 -2.001 -4.714 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.077 -0.117 -3.372 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.308 1.905 -1.973 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.939 -0.333 -4.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 2.185 3.094 -1.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.499 1.195 -3.167 1.00 0.00 H new ATOM 0 HH2 TRP A 89 4.646 2.847 -1.523 1.00 0.00 H new ATOM 1367 N LEU A 90 2.819 -0.718 -7.254 1.00 0.00 N ATOM 1368 CA LEU A 90 3.824 0.066 -7.965 1.00 0.00 C ATOM 1369 C LEU A 90 3.427 0.426 -9.409 1.00 0.00 C ATOM 1370 O LEU A 90 4.180 1.103 -10.112 1.00 0.00 O ATOM 1371 CB LEU A 90 5.120 -0.749 -8.010 1.00 0.00 C ATOM 1372 CG LEU A 90 5.928 -0.770 -6.702 1.00 0.00 C ATOM 1373 CD1 LEU A 90 7.151 -1.666 -6.945 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.316 0.636 -6.230 1.00 0.00 C ATOM 0 H LEU A 90 3.141 -1.661 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 90 3.937 1.006 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.875 -1.775 -8.283 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.753 -0.351 -8.803 1.00 0.00 H new ATOM 0 HG LEU A 90 5.321 -1.172 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.756 -1.710 -6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.820 -2.670 -7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.747 -1.255 -7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.885 0.565 -5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.925 1.121 -6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.414 1.224 -6.058 1.00 0.00 H new ATOM 1386 N ASN A 91 2.316 -0.105 -9.915 1.00 0.00 N ATOM 1387 CA ASN A 91 1.717 0.295 -11.194 1.00 0.00 C ATOM 1388 C ASN A 91 0.615 1.331 -11.011 1.00 0.00 C ATOM 1389 O ASN A 91 0.318 2.077 -11.950 1.00 0.00 O ATOM 1390 CB ASN A 91 1.085 -0.912 -11.921 1.00 0.00 C ATOM 1391 CG ASN A 91 1.840 -1.334 -13.170 1.00 0.00 C ATOM 1392 OD1 ASN A 91 2.508 -0.532 -13.821 1.00 0.00 O ATOM 1393 ND2 ASN A 91 1.727 -2.592 -13.561 1.00 0.00 N ATOM 0 H ASN A 91 1.793 -0.841 -9.440 1.00 0.00 H new ATOM 0 HA ASN A 91 2.533 0.716 -11.781 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.038 -1.756 -11.233 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.059 -0.665 -12.193 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.196 -2.906 -14.410 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.170 -3.248 -13.013 1.00 0.00 H new ATOM 1400 N ASP A 92 -0.062 1.309 -9.866 1.00 0.00 N ATOM 1401 CA ASP A 92 -1.239 2.128 -9.622 1.00 0.00 C ATOM 1402 C ASP A 92 -0.771 3.570 -9.392 1.00 0.00 C ATOM 1403 O ASP A 92 0.271 3.770 -8.765 1.00 0.00 O ATOM 1404 CB ASP A 92 -2.011 1.581 -8.407 1.00 0.00 C ATOM 1405 CG ASP A 92 -3.411 1.103 -8.774 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -4.312 1.965 -8.904 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -3.674 -0.119 -8.799 1.00 0.00 O ATOM 0 H ASP A 92 0.196 0.716 -9.077 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.917 2.104 -10.475 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.452 0.755 -7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.083 2.358 -7.646 1.00 0.00 H new ATOM 1412 N PRO A 93 -1.489 4.594 -9.879 1.00 0.00 N ATOM 1413 CA PRO A 93 -1.072 5.973 -9.694 1.00 0.00 C ATOM 1414 C PRO A 93 -1.341 6.456 -8.266 1.00 0.00 C ATOM 1415 O PRO A 93 -0.459 7.016 -7.618 1.00 0.00 O ATOM 1416 CB PRO A 93 -1.819 6.782 -10.751 1.00 0.00 C ATOM 1417 CG PRO A 93 -2.990 5.909 -11.199 1.00 0.00 C ATOM 1418 CD PRO A 93 -2.702 4.512 -10.671 1.00 0.00 C ATOM 0 HA PRO A 93 0.004 6.090 -9.821 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.172 7.728 -10.341 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.167 7.022 -11.591 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.932 6.288 -10.804 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.079 5.904 -12.285 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.533 4.151 -10.065 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.577 3.808 -11.494 1.00 0.00 H new ATOM 1426 N HIS A 94 -2.540 6.207 -7.732 1.00 0.00 N ATOM 1427 CA HIS A 94 -2.956 6.678 -6.412 1.00 0.00 C ATOM 1428 C HIS A 94 -2.554 5.665 -5.341 1.00 0.00 C ATOM 1429 O HIS A 94 -3.176 5.580 -4.281 1.00 0.00 O ATOM 1430 CB HIS A 94 -4.460 6.975 -6.460 1.00 0.00 C ATOM 1431 CG HIS A 94 -4.730 7.970 -7.567 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -4.278 9.272 -7.604 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.106 7.634 -8.842 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -4.349 9.693 -8.874 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -4.863 8.737 -9.670 1.00 0.00 N ATOM 0 H HIS A 94 -3.258 5.665 -8.213 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.450 7.604 -6.139 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -5.020 6.056 -6.635 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -4.795 7.376 -5.503 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -3.949 9.817 -6.807 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.517 6.685 -9.153 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.036 10.669 -9.214 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.540 4.852 -5.631 1.00 0.00 N ATOM 1444 CA ASN A 95 -0.974 3.861 -4.735 1.00 0.00 C ATOM 1445 C ASN A 95 -0.423 4.543 -3.485 1.00 0.00 C ATOM 1446 O ASN A 95 -0.726 4.106 -2.373 1.00 0.00 O ATOM 1447 CB ASN A 95 0.095 3.050 -5.487 1.00 0.00 C ATOM 1448 CG ASN A 95 1.409 3.786 -5.718 1.00 0.00 C ATOM 1449 OD1 ASN A 95 1.399 4.937 -6.132 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.535 3.184 -5.382 1.00 0.00 N ATOM 0 H ASN A 95 -1.074 4.872 -6.538 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.744 3.165 -4.402 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.299 2.137 -4.927 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.311 2.748 -6.452 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.423 3.679 -5.465 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.517 2.223 -5.039 1.00 0.00 H new ATOM 1457 N VAL A 96 0.322 5.641 -3.642 1.00 0.00 N ATOM 1458 CA VAL A 96 0.811 6.443 -2.554 1.00 0.00 C ATOM 1459 C VAL A 96 -0.352 7.179 -1.894 1.00 0.00 C ATOM 1460 O VAL A 96 -0.412 7.248 -0.672 1.00 0.00 O ATOM 1461 CB VAL A 96 1.872 7.435 -3.074 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.518 8.055 -1.846 1.00 0.00 C ATOM 1463 CG2 VAL A 96 2.973 6.798 -3.939 1.00 0.00 C ATOM 0 H VAL A 96 0.600 5.992 -4.558 1.00 0.00 H new ATOM 0 HA VAL A 96 1.279 5.802 -1.807 1.00 0.00 H new ATOM 0 HB VAL A 96 1.370 8.155 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.281 8.769 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.759 8.569 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.978 7.272 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.674 7.568 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.503 6.045 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.523 6.329 -4.814 1.00 0.00 H new ATOM 1473 N GLU A 97 -1.260 7.767 -2.664 1.00 0.00 N ATOM 1474 CA GLU A 97 -2.273 8.648 -2.103 1.00 0.00 C ATOM 1475 C GLU A 97 -3.232 7.897 -1.189 1.00 0.00 C ATOM 1476 O GLU A 97 -3.410 8.284 -0.034 1.00 0.00 O ATOM 1477 CB GLU A 97 -3.029 9.350 -3.219 1.00 0.00 C ATOM 1478 CG GLU A 97 -2.153 10.411 -3.884 1.00 0.00 C ATOM 1479 CD GLU A 97 -3.077 11.415 -4.543 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -3.493 12.369 -3.848 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -3.478 11.169 -5.703 1.00 0.00 O ATOM 0 H GLU A 97 -1.314 7.649 -3.676 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.767 9.396 -1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.351 8.620 -3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.930 9.815 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.517 10.901 -3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.492 9.956 -4.622 1.00 0.00 H new ATOM 1488 N LYS A 98 -3.809 6.792 -1.663 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.712 6.005 -0.833 1.00 0.00 C ATOM 1490 C LYS A 98 -3.967 5.374 0.345 1.00 0.00 C ATOM 1491 O LYS A 98 -4.569 5.215 1.404 1.00 0.00 O ATOM 1492 CB LYS A 98 -5.467 4.979 -1.694 1.00 0.00 C ATOM 1493 CG LYS A 98 -6.988 5.211 -1.682 1.00 0.00 C ATOM 1494 CD LYS A 98 -7.606 5.475 -3.056 1.00 0.00 C ATOM 1495 CE LYS A 98 -7.540 4.263 -3.996 1.00 0.00 C ATOM 1496 NZ LYS A 98 -8.659 4.266 -4.963 1.00 0.00 N ATOM 0 H LYS A 98 -3.668 6.428 -2.605 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.462 6.663 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.102 5.031 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.252 3.974 -1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.471 4.338 -1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.207 6.058 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.648 5.770 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.092 6.316 -3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.592 4.270 -4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.567 3.345 -3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.584 3.434 -5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.562 4.235 -4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.618 5.131 -5.539 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.664 5.083 0.205 1.00 0.00 N ATOM 1511 CA LEU A 99 -1.833 4.690 1.342 1.00 0.00 C ATOM 1512 C LEU A 99 -1.815 5.814 2.383 1.00 0.00 C ATOM 1513 O LEU A 99 -2.024 5.570 3.572 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.403 4.301 0.891 1.00 0.00 C ATOM 1515 CG LEU A 99 0.521 3.866 2.037 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.003 2.604 2.682 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.930 3.535 1.536 1.00 0.00 C ATOM 0 H LEU A 99 -2.168 5.114 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.266 3.802 1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.471 3.490 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.048 5.150 0.378 1.00 0.00 H new ATOM 0 HG LEU A 99 0.552 4.699 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.662 2.307 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.001 2.786 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.048 1.807 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.553 3.232 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.877 2.722 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.364 4.415 1.062 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.592 7.055 1.945 1.00 0.00 N ATOM 1530 CA ARG A 100 -1.518 8.215 2.817 1.00 0.00 C ATOM 1531 C ARG A 100 -2.848 8.396 3.543 1.00 0.00 C ATOM 1532 O ARG A 100 -2.861 8.707 4.735 1.00 0.00 O ATOM 1533 CB ARG A 100 -1.163 9.481 1.996 1.00 0.00 C ATOM 1534 CG ARG A 100 0.203 10.088 2.347 1.00 0.00 C ATOM 1535 CD ARG A 100 0.528 11.383 1.579 1.00 0.00 C ATOM 1536 NE ARG A 100 -0.364 12.501 1.939 1.00 0.00 N ATOM 1537 CZ ARG A 100 -1.456 12.904 1.275 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -1.741 12.416 0.072 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -2.278 13.787 1.827 1.00 0.00 N ATOM 0 H ARG A 100 -1.457 7.279 0.959 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.733 8.060 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.176 9.230 0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.935 10.233 2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.233 10.295 3.417 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.980 9.351 2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.561 11.669 1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.452 11.194 0.508 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.124 13.022 2.782 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.125 11.726 -0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.576 12.732 -0.422 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.078 14.158 2.756 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.109 14.095 1.323 1.00 0.00 H new ATOM 1553 N ASP A 101 -3.961 8.199 2.832 1.00 0.00 N ATOM 1554 CA ASP A 101 -5.317 8.429 3.329 1.00 0.00 C ATOM 1555 C ASP A 101 -5.736 7.461 4.438 1.00 0.00 C ATOM 1556 O ASP A 101 -6.769 7.673 5.073 1.00 0.00 O ATOM 1557 CB ASP A 101 -6.327 8.378 2.171 1.00 0.00 C ATOM 1558 CG ASP A 101 -7.663 9.013 2.570 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -7.667 10.085 3.212 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -8.739 8.553 2.117 1.00 0.00 O ATOM 0 H ASP A 101 -3.942 7.866 1.868 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.313 9.424 3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.918 8.899 1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.489 7.342 1.872 1.00 0.00 H new