USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 611 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 74 ASN :FLIP amide:sc= 0.614 F(o=-0.062,f=0.71) USER MOD Set 1.2: A 93 SER OG : rot -91:sc= 0.0942 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0605 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0601 USER MOD Single : A 32 GLN : amide:sc= -0.0247 X(o=-0.025,f=-0.025) USER MOD Single : A 34 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -106:sc= 0.161 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.326 K(o=-0.33,f=-2.6!) USER MOD Single : A 71 MET CE :methyl 141:sc= -0.538 (180deg=-2.58!) USER MOD Single : A 78 THR OG1 : rot 25:sc= -1.92 USER MOD Single : A 81 SER OG : rot -84:sc= 0.114 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0014 X(o=-0.0014,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.13) USER MOD Single : A 94 SER OG : rot -101:sc= 1.02 USER MOD Single : A 96 THR OG1 : rot -24:sc= 0.392! USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.911 -11.316 -2.013 1.00 0.00 N ATOM 133 CA HIS A 13 13.602 -10.575 -0.802 1.00 0.00 C ATOM 134 C HIS A 13 12.628 -9.441 -1.129 1.00 0.00 C ATOM 135 O HIS A 13 12.456 -9.082 -2.293 1.00 0.00 O ATOM 136 CB HIS A 13 14.882 -10.080 -0.127 1.00 0.00 C ATOM 137 CG HIS A 13 15.692 -9.125 -0.970 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.569 -9.551 -1.953 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.748 -7.762 -0.969 1.00 0.00 C ATOM 140 CE1 HIS A 13 17.123 -8.484 -2.510 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.613 -7.376 -1.899 1.00 0.00 N ATOM 0 HA HIS A 13 13.112 -11.233 -0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.620 -9.588 0.810 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.502 -10.940 0.127 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.184 -7.108 -0.321 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.851 -8.490 -3.308 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.856 -6.410 -2.120 1.00 0.00 H new ATOM 149 N THR A 14 12.015 -8.910 -0.081 1.00 0.00 N ATOM 150 CA THR A 14 11.063 -7.825 -0.242 1.00 0.00 C ATOM 151 C THR A 14 11.396 -6.677 0.713 1.00 0.00 C ATOM 152 O THR A 14 11.788 -6.909 1.855 1.00 0.00 O ATOM 153 CB THR A 14 9.657 -8.395 -0.040 1.00 0.00 C ATOM 154 OG1 THR A 14 9.834 -9.416 0.939 1.00 0.00 O ATOM 155 CG2 THR A 14 9.147 -9.145 -1.272 1.00 0.00 C ATOM 0 H THR A 14 12.159 -9.211 0.883 1.00 0.00 H new ATOM 0 HA THR A 14 11.116 -7.399 -1.244 1.00 0.00 H new ATOM 0 HB THR A 14 8.969 -7.586 0.203 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.971 -9.838 1.131 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.146 -9.529 -1.076 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.114 -8.466 -2.124 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.817 -9.975 -1.496 1.00 0.00 H new ATOM 163 N GLU A 15 11.226 -5.463 0.210 1.00 0.00 N ATOM 164 CA GLU A 15 11.504 -4.278 1.004 1.00 0.00 C ATOM 165 C GLU A 15 10.249 -3.411 1.120 1.00 0.00 C ATOM 166 O GLU A 15 9.337 -3.520 0.302 1.00 0.00 O ATOM 167 CB GLU A 15 12.669 -3.482 0.412 1.00 0.00 C ATOM 168 CG GLU A 15 13.981 -3.818 1.123 1.00 0.00 C ATOM 169 CD GLU A 15 14.737 -2.544 1.508 1.00 0.00 C ATOM 170 OE1 GLU A 15 15.453 -2.021 0.627 1.00 0.00 O ATOM 171 OE2 GLU A 15 14.583 -2.123 2.675 1.00 0.00 O ATOM 0 H GLU A 15 10.899 -5.274 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 15 11.796 -4.595 2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.761 -3.702 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.467 -2.415 0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.774 -4.407 2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.604 -4.433 0.473 1.00 0.00 H new ATOM 178 N THR A 16 10.244 -2.568 2.143 1.00 0.00 N ATOM 179 CA THR A 16 9.116 -1.683 2.376 1.00 0.00 C ATOM 180 C THR A 16 9.501 -0.235 2.065 1.00 0.00 C ATOM 181 O THR A 16 10.650 0.160 2.256 1.00 0.00 O ATOM 182 CB THR A 16 8.643 -1.889 3.817 1.00 0.00 C ATOM 183 OG1 THR A 16 9.792 -2.396 4.490 1.00 0.00 O ATOM 184 CG2 THR A 16 7.613 -3.014 3.939 1.00 0.00 C ATOM 0 H THR A 16 11.003 -2.480 2.819 1.00 0.00 H new ATOM 0 HA THR A 16 8.286 -1.917 1.709 1.00 0.00 H new ATOM 0 HB THR A 16 8.214 -0.961 4.195 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.575 -2.556 5.432 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.310 -3.119 4.981 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.741 -2.776 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.053 -3.949 3.593 1.00 0.00 H new ATOM 192 N THR A 17 8.518 0.516 1.589 1.00 0.00 N ATOM 193 CA THR A 17 8.740 1.911 1.249 1.00 0.00 C ATOM 194 C THR A 17 7.747 2.806 1.995 1.00 0.00 C ATOM 195 O THR A 17 6.682 2.349 2.407 1.00 0.00 O ATOM 196 CB THR A 17 8.655 2.046 -0.272 1.00 0.00 C ATOM 197 OG1 THR A 17 8.745 3.450 -0.502 1.00 0.00 O ATOM 198 CG2 THR A 17 7.278 1.666 -0.818 1.00 0.00 C ATOM 0 H THR A 17 7.566 0.185 1.431 1.00 0.00 H new ATOM 0 HA THR A 17 9.729 2.243 1.564 1.00 0.00 H new ATOM 0 HB THR A 17 9.415 1.416 -0.735 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.700 3.627 -1.465 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.272 1.780 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.058 0.630 -0.561 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.521 2.317 -0.381 1.00 0.00 H new ATOM 206 N GLU A 18 8.132 4.065 2.145 1.00 0.00 N ATOM 207 CA GLU A 18 7.289 5.027 2.834 1.00 0.00 C ATOM 208 C GLU A 18 6.683 6.013 1.833 1.00 0.00 C ATOM 209 O GLU A 18 7.408 6.734 1.149 1.00 0.00 O ATOM 210 CB GLU A 18 8.074 5.764 3.922 1.00 0.00 C ATOM 211 CG GLU A 18 7.346 7.037 4.356 1.00 0.00 C ATOM 212 CD GLU A 18 8.107 7.749 5.476 1.00 0.00 C ATOM 213 OE1 GLU A 18 8.504 7.044 6.429 1.00 0.00 O ATOM 214 OE2 GLU A 18 8.274 8.981 5.355 1.00 0.00 O ATOM 0 H GLU A 18 9.016 4.441 1.801 1.00 0.00 H new ATOM 0 HA GLU A 18 6.477 4.487 3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.213 5.109 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.067 6.017 3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.237 7.707 3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.341 6.787 4.696 1.00 0.00 H new ATOM 221 N VAL A 19 5.359 6.013 1.779 1.00 0.00 N ATOM 222 CA VAL A 19 4.647 6.898 0.873 1.00 0.00 C ATOM 223 C VAL A 19 4.225 8.160 1.627 1.00 0.00 C ATOM 224 O VAL A 19 3.465 8.087 2.592 1.00 0.00 O ATOM 225 CB VAL A 19 3.467 6.158 0.238 1.00 0.00 C ATOM 226 CG1 VAL A 19 2.901 6.944 -0.946 1.00 0.00 C ATOM 227 CG2 VAL A 19 3.870 4.744 -0.184 1.00 0.00 C ATOM 0 H VAL A 19 4.761 5.414 2.348 1.00 0.00 H new ATOM 0 HA VAL A 19 5.296 7.210 0.055 1.00 0.00 H new ATOM 0 HB VAL A 19 2.682 6.072 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.064 6.397 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.558 7.920 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.677 7.076 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.014 4.240 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.680 4.798 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.204 4.185 0.690 1.00 0.00 H new ATOM 237 N VAL A 20 4.737 9.289 1.160 1.00 0.00 N ATOM 238 CA VAL A 20 4.422 10.566 1.778 1.00 0.00 C ATOM 239 C VAL A 20 3.436 11.329 0.891 1.00 0.00 C ATOM 240 O VAL A 20 3.734 11.620 -0.266 1.00 0.00 O ATOM 241 CB VAL A 20 5.710 11.347 2.049 1.00 0.00 C ATOM 242 CG1 VAL A 20 6.275 11.939 0.757 1.00 0.00 C ATOM 243 CG2 VAL A 20 5.479 12.438 3.097 1.00 0.00 C ATOM 0 H VAL A 20 5.368 9.346 0.361 1.00 0.00 H new ATOM 0 HA VAL A 20 3.939 10.414 2.743 1.00 0.00 H new ATOM 0 HB VAL A 20 6.447 10.650 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.190 12.489 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.495 11.135 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.543 12.616 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.410 12.978 3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.719 13.132 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.144 11.982 4.029 1.00 0.00 H new ATOM 253 N LEU A 21 2.282 11.630 1.467 1.00 0.00 N ATOM 254 CA LEU A 21 1.250 12.353 0.743 1.00 0.00 C ATOM 255 C LEU A 21 0.802 13.559 1.572 1.00 0.00 C ATOM 256 O LEU A 21 0.594 13.444 2.779 1.00 0.00 O ATOM 257 CB LEU A 21 0.107 11.413 0.357 1.00 0.00 C ATOM 258 CG LEU A 21 0.509 10.141 -0.393 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.633 9.124 -0.399 1.00 0.00 C ATOM 260 CD2 LEU A 21 0.993 10.469 -1.807 1.00 0.00 C ATOM 0 H LEU A 21 2.038 11.386 2.427 1.00 0.00 H new ATOM 0 HA LEU A 21 1.644 12.740 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.422 11.124 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.600 11.967 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 21 1.345 9.682 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.321 8.230 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.889 8.858 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.504 9.558 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.273 9.548 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.194 10.963 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.858 11.130 -1.751 1.00 0.00 H new ATOM 272 N THR A 22 0.665 14.687 0.890 1.00 0.00 N ATOM 273 CA THR A 22 0.244 15.912 1.548 1.00 0.00 C ATOM 274 C THR A 22 -1.254 16.143 1.339 1.00 0.00 C ATOM 275 O THR A 22 -1.692 16.424 0.224 1.00 0.00 O ATOM 276 CB THR A 22 1.115 17.054 1.022 1.00 0.00 C ATOM 277 OG1 THR A 22 2.426 16.498 0.973 1.00 0.00 O ATOM 278 CG2 THR A 22 1.237 18.207 2.021 1.00 0.00 C ATOM 0 H THR A 22 0.838 14.778 -0.111 1.00 0.00 H new ATOM 0 HA THR A 22 0.383 15.849 2.627 1.00 0.00 H new ATOM 0 HB THR A 22 0.697 17.427 0.087 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.055 17.172 0.640 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.866 18.990 1.598 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.247 18.611 2.233 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.685 17.842 2.945 1.00 0.00 H new ATOM 286 N ALA A 23 -1.998 16.016 2.427 1.00 0.00 N ATOM 287 CA ALA A 23 -3.437 16.208 2.377 1.00 0.00 C ATOM 288 C ALA A 23 -3.752 17.459 1.554 1.00 0.00 C ATOM 289 O ALA A 23 -3.680 18.576 2.064 1.00 0.00 O ATOM 290 CB ALA A 23 -3.992 16.291 3.800 1.00 0.00 C ATOM 0 H ALA A 23 -1.631 15.782 3.350 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.920 15.362 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.072 16.435 3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.768 15.367 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.532 17.131 4.321 1.00 0.00 H new ATOM 296 N ASP A 24 -4.095 17.230 0.295 1.00 0.00 N ATOM 297 CA ASP A 24 -4.421 18.325 -0.603 1.00 0.00 C ATOM 298 C ASP A 24 -5.449 19.239 0.067 1.00 0.00 C ATOM 299 O ASP A 24 -6.005 18.895 1.109 1.00 0.00 O ATOM 300 CB ASP A 24 -5.030 17.805 -1.907 1.00 0.00 C ATOM 301 CG ASP A 24 -4.277 18.207 -3.177 1.00 0.00 C ATOM 302 OD1 ASP A 24 -3.057 18.449 -3.061 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.940 18.264 -4.235 1.00 0.00 O ATOM 0 H ASP A 24 -4.154 16.302 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.500 18.865 -0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.078 16.717 -1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.056 18.166 -1.981 1.00 0.00 H new ATOM 308 N PRO A 25 -5.676 20.416 -0.575 1.00 0.00 N ATOM 309 CA PRO A 25 -6.628 21.382 -0.053 1.00 0.00 C ATOM 310 C PRO A 25 -8.066 20.927 -0.305 1.00 0.00 C ATOM 311 O PRO A 25 -9.004 21.470 0.276 1.00 0.00 O ATOM 312 CB PRO A 25 -6.286 22.688 -0.752 1.00 0.00 C ATOM 313 CG PRO A 25 -5.469 22.305 -1.975 1.00 0.00 C ATOM 314 CD PRO A 25 -5.036 20.857 -1.811 1.00 0.00 C ATOM 0 HA PRO A 25 -6.562 21.496 1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.190 23.226 -1.039 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.719 23.346 -0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.060 22.426 -2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.599 22.955 -2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.353 20.250 -2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.951 20.773 -1.747 1.00 0.00 H new ATOM 322 N VAL A 26 -8.195 19.934 -1.173 1.00 0.00 N ATOM 323 CA VAL A 26 -9.504 19.400 -1.510 1.00 0.00 C ATOM 324 C VAL A 26 -9.477 17.876 -1.378 1.00 0.00 C ATOM 325 O VAL A 26 -10.212 17.306 -0.574 1.00 0.00 O ATOM 326 CB VAL A 26 -9.919 19.872 -2.905 1.00 0.00 C ATOM 327 CG1 VAL A 26 -11.045 19.001 -3.466 1.00 0.00 C ATOM 328 CG2 VAL A 26 -10.324 21.347 -2.886 1.00 0.00 C ATOM 0 H VAL A 26 -7.415 19.485 -1.653 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.259 19.773 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.057 19.770 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.321 19.358 -4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.706 17.967 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.911 19.057 -2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.614 21.658 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.165 21.485 -2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.482 21.951 -2.549 1.00 0.00 H new ATOM 338 N THR A 27 -8.621 17.260 -2.180 1.00 0.00 N ATOM 339 CA THR A 27 -8.488 15.813 -2.163 1.00 0.00 C ATOM 340 C THR A 27 -7.295 15.397 -1.301 1.00 0.00 C ATOM 341 O THR A 27 -6.289 14.915 -1.819 1.00 0.00 O ATOM 342 CB THR A 27 -8.389 15.330 -3.612 1.00 0.00 C ATOM 343 OG1 THR A 27 -7.430 16.202 -4.203 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.671 15.592 -4.405 1.00 0.00 C ATOM 0 H THR A 27 -8.013 17.736 -2.846 1.00 0.00 H new ATOM 0 HA THR A 27 -9.358 15.341 -1.707 1.00 0.00 H new ATOM 0 HB THR A 27 -8.166 14.263 -3.625 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.303 15.959 -5.144 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.548 15.231 -5.426 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.504 15.070 -3.933 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.876 16.662 -4.421 1.00 0.00 H new ATOM 352 N GLY A 28 -7.447 15.598 0.000 1.00 0.00 N ATOM 353 CA GLY A 28 -6.394 15.250 0.939 1.00 0.00 C ATOM 354 C GLY A 28 -5.417 14.248 0.320 1.00 0.00 C ATOM 355 O GLY A 28 -4.438 14.640 -0.312 1.00 0.00 O ATOM 0 H GLY A 28 -8.283 15.997 0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.857 16.150 1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.833 14.825 1.842 1.00 0.00 H new ATOM 359 N PHE A 29 -5.718 12.974 0.524 1.00 0.00 N ATOM 360 CA PHE A 29 -4.879 11.912 -0.005 1.00 0.00 C ATOM 361 C PHE A 29 -5.542 11.237 -1.207 1.00 0.00 C ATOM 362 O PHE A 29 -4.861 10.657 -2.051 1.00 0.00 O ATOM 363 CB PHE A 29 -4.703 10.881 1.111 1.00 0.00 C ATOM 364 CG PHE A 29 -4.238 11.478 2.441 1.00 0.00 C ATOM 365 CD1 PHE A 29 -3.157 12.302 2.476 1.00 0.00 C ATOM 366 CD2 PHE A 29 -4.905 11.183 3.589 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.725 12.856 3.710 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.473 11.736 4.824 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.392 12.561 4.858 1.00 0.00 C ATOM 0 H PHE A 29 -6.532 12.653 1.049 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.924 12.322 -0.333 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.650 10.365 1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.981 10.131 0.789 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.627 12.535 1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.763 10.528 3.562 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.867 13.511 3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.003 11.502 5.736 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.063 12.982 5.797 1.00 0.00 H new ATOM 379 N GLY A 30 -6.863 11.335 -1.246 1.00 0.00 N ATOM 380 CA GLY A 30 -7.625 10.741 -2.331 1.00 0.00 C ATOM 381 C GLY A 30 -7.265 9.265 -2.510 1.00 0.00 C ATOM 382 O GLY A 30 -6.708 8.878 -3.536 1.00 0.00 O ATOM 0 H GLY A 30 -7.425 11.817 -0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.691 10.837 -2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.428 11.282 -3.257 1.00 0.00 H new ATOM 386 N ILE A 31 -7.598 8.480 -1.495 1.00 0.00 N ATOM 387 CA ILE A 31 -7.316 7.055 -1.528 1.00 0.00 C ATOM 388 C ILE A 31 -8.517 6.289 -0.969 1.00 0.00 C ATOM 389 O ILE A 31 -9.195 6.767 -0.061 1.00 0.00 O ATOM 390 CB ILE A 31 -6.003 6.752 -0.804 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.888 7.687 -1.276 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.619 5.278 -0.958 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.563 7.352 -0.588 1.00 0.00 C ATOM 0 H ILE A 31 -8.060 8.804 -0.645 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.172 6.719 -2.555 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.149 6.937 0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.772 7.604 -2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.161 8.721 -1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.682 5.089 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.404 4.651 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.497 5.042 -2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.787 8.031 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.676 7.460 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.281 6.326 -0.822 1.00 0.00 H new ATOM 405 N GLN A 32 -8.745 5.114 -1.536 1.00 0.00 N ATOM 406 CA GLN A 32 -9.853 4.277 -1.106 1.00 0.00 C ATOM 407 C GLN A 32 -9.338 2.916 -0.634 1.00 0.00 C ATOM 408 O GLN A 32 -8.352 2.404 -1.162 1.00 0.00 O ATOM 409 CB GLN A 32 -10.884 4.115 -2.225 1.00 0.00 C ATOM 410 CG GLN A 32 -11.985 5.171 -2.113 1.00 0.00 C ATOM 411 CD GLN A 32 -13.028 4.767 -1.068 1.00 0.00 C ATOM 412 OE1 GLN A 32 -13.073 5.287 0.035 1.00 0.00 O ATOM 413 NE2 GLN A 32 -13.860 3.813 -1.475 1.00 0.00 N ATOM 0 H GLN A 32 -8.181 4.721 -2.290 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.349 4.767 -0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.391 4.200 -3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -11.324 3.119 -2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.547 6.131 -1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.467 5.303 -3.082 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.767 3.421 -2.412 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.591 3.474 -0.850 1.00 0.00 H new ATOM 422 N LEU A 33 -10.028 2.370 0.356 1.00 0.00 N ATOM 423 CA LEU A 33 -9.653 1.078 0.906 1.00 0.00 C ATOM 424 C LEU A 33 -10.775 0.071 0.643 1.00 0.00 C ATOM 425 O LEU A 33 -11.895 0.457 0.312 1.00 0.00 O ATOM 426 CB LEU A 33 -9.281 1.212 2.384 1.00 0.00 C ATOM 427 CG LEU A 33 -8.365 2.385 2.742 1.00 0.00 C ATOM 428 CD1 LEU A 33 -8.508 2.761 4.218 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.914 2.081 2.365 1.00 0.00 C ATOM 0 H LEU A 33 -10.845 2.798 0.792 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.760 0.698 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.200 1.305 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.797 0.289 2.701 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.674 3.252 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.847 3.597 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.539 3.048 4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.240 1.906 4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.284 2.930 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.576 1.196 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.847 1.900 1.292 1.00 0.00 H new ATOM 441 N GLN A 34 -10.435 -1.200 0.800 1.00 0.00 N ATOM 442 CA GLN A 34 -11.399 -2.265 0.583 1.00 0.00 C ATOM 443 C GLN A 34 -11.612 -3.058 1.874 1.00 0.00 C ATOM 444 O GLN A 34 -10.654 -3.373 2.579 1.00 0.00 O ATOM 445 CB GLN A 34 -10.956 -3.182 -0.558 1.00 0.00 C ATOM 446 CG GLN A 34 -9.657 -3.909 -0.204 1.00 0.00 C ATOM 447 CD GLN A 34 -9.824 -5.424 -0.334 1.00 0.00 C ATOM 448 OE1 GLN A 34 -9.774 -6.166 0.634 1.00 0.00 O ATOM 449 NE2 GLN A 34 -10.024 -5.841 -1.581 1.00 0.00 N ATOM 0 H GLN A 34 -9.505 -1.516 1.075 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.349 -1.816 0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.739 -3.911 -0.769 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.813 -2.596 -1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.856 -3.570 -0.861 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.362 -3.658 0.815 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.055 -5.167 -2.346 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.147 -6.835 -1.773 1.00 0.00 H new ATOM 620 N PRO A 47 -5.835 -3.729 4.528 1.00 0.00 N ATOM 621 CA PRO A 47 -6.648 -2.896 3.658 1.00 0.00 C ATOM 622 C PRO A 47 -5.897 -2.549 2.372 1.00 0.00 C ATOM 623 O PRO A 47 -4.890 -1.842 2.408 1.00 0.00 O ATOM 624 CB PRO A 47 -6.993 -1.674 4.494 1.00 0.00 C ATOM 625 CG PRO A 47 -5.983 -1.648 5.630 1.00 0.00 C ATOM 626 CD PRO A 47 -5.292 -3.001 5.671 1.00 0.00 C ATOM 0 HA PRO A 47 -7.554 -3.399 3.320 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.934 -0.763 3.898 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.011 -1.738 4.878 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.255 -0.852 5.475 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.480 -1.445 6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.210 -2.895 5.595 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.497 -3.522 6.606 1.00 0.00 H new ATOM 634 N LEU A 48 -6.414 -3.061 1.265 1.00 0.00 N ATOM 635 CA LEU A 48 -5.804 -2.814 -0.030 1.00 0.00 C ATOM 636 C LEU A 48 -6.488 -1.615 -0.690 1.00 0.00 C ATOM 637 O LEU A 48 -7.709 -1.479 -0.625 1.00 0.00 O ATOM 638 CB LEU A 48 -5.828 -4.082 -0.885 1.00 0.00 C ATOM 639 CG LEU A 48 -5.464 -5.383 -0.165 1.00 0.00 C ATOM 640 CD1 LEU A 48 -6.208 -6.573 -0.775 1.00 0.00 C ATOM 641 CD2 LEU A 48 -3.950 -5.598 -0.154 1.00 0.00 C ATOM 0 H LEU A 48 -7.249 -3.646 1.238 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.751 -2.557 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.826 -4.192 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.140 -3.947 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.785 -5.301 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.932 -7.485 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.283 -6.414 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.940 -6.669 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.718 -6.529 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.583 -5.651 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.468 -4.767 0.361 1.00 0.00 H new ATOM 653 N ILE A 49 -5.671 -0.776 -1.311 1.00 0.00 N ATOM 654 CA ILE A 49 -6.182 0.407 -1.982 1.00 0.00 C ATOM 655 C ILE A 49 -7.273 -0.005 -2.972 1.00 0.00 C ATOM 656 O ILE A 49 -6.985 -0.623 -3.996 1.00 0.00 O ATOM 657 CB ILE A 49 -5.038 1.197 -2.620 1.00 0.00 C ATOM 658 CG1 ILE A 49 -4.272 2.001 -1.568 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.551 2.084 -3.757 1.00 0.00 C ATOM 660 CD1 ILE A 49 -3.043 2.676 -2.180 1.00 0.00 C ATOM 0 H ILE A 49 -4.659 -0.892 -1.363 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.643 1.084 -1.263 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.336 0.487 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.928 2.756 -1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.963 1.343 -0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.718 2.635 -4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.015 1.462 -4.522 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.286 2.788 -3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.517 3.241 -1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.378 1.917 -2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.357 3.352 -2.975 1.00 0.00 H new ATOM 672 N SER A 50 -8.502 0.354 -2.633 1.00 0.00 N ATOM 673 CA SER A 50 -9.637 0.029 -3.480 1.00 0.00 C ATOM 674 C SER A 50 -9.615 0.896 -4.741 1.00 0.00 C ATOM 675 O SER A 50 -9.723 0.382 -5.853 1.00 0.00 O ATOM 676 CB SER A 50 -10.957 0.220 -2.729 1.00 0.00 C ATOM 677 OG SER A 50 -12.069 0.299 -3.616 1.00 0.00 O ATOM 0 H SER A 50 -8.737 0.867 -1.783 1.00 0.00 H new ATOM 0 HA SER A 50 -9.560 -1.020 -3.766 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.104 -0.609 -2.037 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.905 1.130 -2.130 1.00 0.00 H new ATOM 0 HG SER A 50 -12.892 0.419 -3.098 1.00 0.00 H new ATOM 683 N TYR A 51 -9.473 2.195 -4.524 1.00 0.00 N ATOM 684 CA TYR A 51 -9.434 3.138 -5.630 1.00 0.00 C ATOM 685 C TYR A 51 -8.565 4.349 -5.287 1.00 0.00 C ATOM 686 O TYR A 51 -8.463 4.736 -4.124 1.00 0.00 O ATOM 687 CB TYR A 51 -10.877 3.603 -5.837 1.00 0.00 C ATOM 688 CG TYR A 51 -11.015 4.800 -6.780 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.890 4.623 -8.143 1.00 0.00 C ATOM 690 CD2 TYR A 51 -11.265 6.057 -6.268 1.00 0.00 C ATOM 691 CE1 TYR A 51 -11.019 5.750 -9.030 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.395 7.184 -7.155 1.00 0.00 C ATOM 693 CZ TYR A 51 -11.266 6.975 -8.493 1.00 0.00 C ATOM 694 OH TYR A 51 -11.388 8.039 -9.331 1.00 0.00 O ATOM 0 H TYR A 51 -9.384 2.617 -3.600 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.013 2.670 -6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.462 2.773 -6.232 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.306 3.864 -4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.695 3.639 -8.544 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -11.363 6.196 -5.201 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.922 5.625 -10.098 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.590 8.173 -6.767 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.564 8.849 -8.808 1.00 0.00 H new ATOM 704 N ILE A 52 -7.959 4.914 -6.321 1.00 0.00 N ATOM 705 CA ILE A 52 -7.101 6.074 -6.144 1.00 0.00 C ATOM 706 C ILE A 52 -7.741 7.284 -6.827 1.00 0.00 C ATOM 707 O ILE A 52 -7.764 7.370 -8.054 1.00 0.00 O ATOM 708 CB ILE A 52 -5.683 5.770 -6.632 1.00 0.00 C ATOM 709 CG1 ILE A 52 -5.051 4.642 -5.815 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.820 7.034 -6.628 1.00 0.00 C ATOM 711 CD1 ILE A 52 -4.116 3.795 -6.680 1.00 0.00 C ATOM 0 H ILE A 52 -8.045 4.590 -7.284 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.003 6.319 -5.086 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.744 5.424 -7.664 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.495 5.063 -4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.834 4.011 -5.394 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.817 6.791 -6.979 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.264 7.780 -7.287 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.763 7.433 -5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.680 3.000 -6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.680 3.356 -7.503 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.321 4.424 -7.080 1.00 0.00 H new ATOM 723 N GLU A 53 -8.244 8.191 -6.002 1.00 0.00 N ATOM 724 CA GLU A 53 -8.883 9.393 -6.511 1.00 0.00 C ATOM 725 C GLU A 53 -7.972 10.089 -7.525 1.00 0.00 C ATOM 726 O GLU A 53 -6.761 9.872 -7.528 1.00 0.00 O ATOM 727 CB GLU A 53 -9.256 10.340 -5.369 1.00 0.00 C ATOM 728 CG GLU A 53 -10.758 10.285 -5.079 1.00 0.00 C ATOM 729 CD GLU A 53 -11.158 8.918 -4.521 1.00 0.00 C ATOM 730 OE1 GLU A 53 -10.233 8.155 -4.169 1.00 0.00 O ATOM 731 OE2 GLU A 53 -12.381 8.666 -4.460 1.00 0.00 O ATOM 0 H GLU A 53 -8.222 8.118 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.805 9.106 -7.017 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.699 10.071 -4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.969 11.359 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.023 11.065 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.316 10.486 -5.993 1.00 0.00 H new ATOM 738 N ALA A 54 -8.590 10.910 -8.361 1.00 0.00 N ATOM 739 CA ALA A 54 -7.851 11.639 -9.377 1.00 0.00 C ATOM 740 C ALA A 54 -7.466 13.016 -8.833 1.00 0.00 C ATOM 741 O ALA A 54 -8.026 13.473 -7.838 1.00 0.00 O ATOM 742 CB ALA A 54 -8.690 11.730 -10.653 1.00 0.00 C ATOM 0 H ALA A 54 -9.595 11.086 -8.355 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.929 11.115 -9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.135 12.277 -11.415 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.911 10.726 -11.016 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.623 12.252 -10.439 1.00 0.00 H new ATOM 748 N ASP A 55 -6.512 13.639 -9.509 1.00 0.00 N ATOM 749 CA ASP A 55 -6.046 14.955 -9.106 1.00 0.00 C ATOM 750 C ASP A 55 -5.635 14.916 -7.632 1.00 0.00 C ATOM 751 O ASP A 55 -5.571 15.953 -6.974 1.00 0.00 O ATOM 752 CB ASP A 55 -7.150 16.002 -9.261 1.00 0.00 C ATOM 753 CG ASP A 55 -6.661 17.449 -9.349 1.00 0.00 C ATOM 754 OD1 ASP A 55 -5.923 17.856 -8.427 1.00 0.00 O ATOM 755 OD2 ASP A 55 -7.037 18.116 -10.338 1.00 0.00 O ATOM 0 H ASP A 55 -6.049 13.257 -10.333 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.203 15.224 -9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.724 15.773 -10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.833 15.916 -8.416 1.00 0.00 H new ATOM 760 N SER A 56 -5.366 13.708 -7.158 1.00 0.00 N ATOM 761 CA SER A 56 -4.963 13.521 -5.774 1.00 0.00 C ATOM 762 C SER A 56 -3.447 13.336 -5.692 1.00 0.00 C ATOM 763 O SER A 56 -2.801 13.016 -6.689 1.00 0.00 O ATOM 764 CB SER A 56 -5.679 12.321 -5.150 1.00 0.00 C ATOM 765 OG SER A 56 -4.941 11.114 -5.315 1.00 0.00 O ATOM 0 H SER A 56 -5.419 12.850 -7.707 1.00 0.00 H new ATOM 0 HA SER A 56 -5.245 14.411 -5.211 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.838 12.506 -4.088 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.663 12.209 -5.605 1.00 0.00 H new ATOM 0 HG SER A 56 -5.371 10.559 -5.998 1.00 0.00 H new ATOM 771 N PRO A 57 -2.908 13.550 -4.461 1.00 0.00 N ATOM 772 CA PRO A 57 -1.479 13.410 -4.236 1.00 0.00 C ATOM 773 C PRO A 57 -1.072 11.936 -4.195 1.00 0.00 C ATOM 774 O PRO A 57 0.102 11.608 -4.356 1.00 0.00 O ATOM 775 CB PRO A 57 -1.215 14.135 -2.926 1.00 0.00 C ATOM 776 CG PRO A 57 -2.564 14.252 -2.235 1.00 0.00 C ATOM 777 CD PRO A 57 -3.641 13.930 -3.258 1.00 0.00 C ATOM 0 HA PRO A 57 -0.882 13.839 -5.041 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.507 13.582 -2.309 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.781 15.119 -3.105 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.621 13.565 -1.391 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.703 15.257 -1.837 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.284 13.120 -2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.283 14.791 -3.441 1.00 0.00 H new ATOM 785 N ALA A 58 -2.066 11.086 -3.979 1.00 0.00 N ATOM 786 CA ALA A 58 -1.826 9.655 -3.915 1.00 0.00 C ATOM 787 C ALA A 58 -1.575 9.121 -5.327 1.00 0.00 C ATOM 788 O ALA A 58 -0.938 8.083 -5.497 1.00 0.00 O ATOM 789 CB ALA A 58 -3.012 8.968 -3.234 1.00 0.00 C ATOM 0 H ALA A 58 -3.039 11.362 -3.846 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.939 9.441 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.832 7.894 -3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.130 9.362 -2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.920 9.158 -3.806 1.00 0.00 H new ATOM 795 N GLU A 59 -2.090 9.854 -6.303 1.00 0.00 N ATOM 796 CA GLU A 59 -1.930 9.467 -7.694 1.00 0.00 C ATOM 797 C GLU A 59 -0.723 10.180 -8.308 1.00 0.00 C ATOM 798 O GLU A 59 -0.059 9.636 -9.189 1.00 0.00 O ATOM 799 CB GLU A 59 -3.202 9.756 -8.493 1.00 0.00 C ATOM 800 CG GLU A 59 -3.109 9.168 -9.903 1.00 0.00 C ATOM 801 CD GLU A 59 -3.395 7.665 -9.890 1.00 0.00 C ATOM 802 OE1 GLU A 59 -4.585 7.315 -9.735 1.00 0.00 O ATOM 803 OE2 GLU A 59 -2.418 6.900 -10.035 1.00 0.00 O ATOM 0 H GLU A 59 -2.619 10.714 -6.158 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.752 8.392 -7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.064 9.335 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.361 10.833 -8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.820 9.671 -10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.115 9.349 -10.312 1.00 0.00 H new ATOM 810 N ARG A 60 -0.475 11.385 -7.817 1.00 0.00 N ATOM 811 CA ARG A 60 0.640 12.178 -8.306 1.00 0.00 C ATOM 812 C ARG A 60 1.951 11.405 -8.145 1.00 0.00 C ATOM 813 O ARG A 60 2.749 11.328 -9.077 1.00 0.00 O ATOM 814 CB ARG A 60 0.743 13.506 -7.555 1.00 0.00 C ATOM 815 CG ARG A 60 -0.191 14.554 -8.163 1.00 0.00 C ATOM 816 CD ARG A 60 0.500 15.916 -8.259 1.00 0.00 C ATOM 817 NE ARG A 60 -0.432 16.987 -7.844 1.00 0.00 N ATOM 818 CZ ARG A 60 -0.682 17.314 -6.569 1.00 0.00 C ATOM 819 NH1 ARG A 60 -0.070 16.654 -5.576 1.00 0.00 N ATOM 820 NH2 ARG A 60 -1.544 18.300 -6.286 1.00 0.00 N ATOM 0 H ARG A 60 -1.027 11.832 -7.085 1.00 0.00 H new ATOM 0 HA ARG A 60 0.463 12.384 -9.362 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.491 13.355 -6.505 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.771 13.867 -7.587 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.507 14.232 -9.155 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.091 14.641 -7.554 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.387 15.929 -7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.836 16.091 -9.281 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.915 17.510 -8.575 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.586 15.903 -5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.260 16.903 -4.605 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.010 18.802 -7.041 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.734 18.548 -5.315 1.00 0.00 H new ATOM 834 N CYS A 61 2.132 10.853 -6.954 1.00 0.00 N ATOM 835 CA CYS A 61 3.333 10.090 -6.658 1.00 0.00 C ATOM 836 C CYS A 61 3.420 8.928 -7.650 1.00 0.00 C ATOM 837 O CYS A 61 4.494 8.631 -8.171 1.00 0.00 O ATOM 838 CB CYS A 61 3.351 9.604 -5.207 1.00 0.00 C ATOM 839 SG CYS A 61 4.981 9.954 -4.451 1.00 0.00 S ATOM 0 H CYS A 61 1.467 10.919 -6.183 1.00 0.00 H new ATOM 0 HA CYS A 61 4.209 10.728 -6.769 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.563 10.099 -4.639 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.146 8.534 -5.170 1.00 0.00 H new ATOM 0 HG CYS A 61 4.986 9.540 -3.219 1.00 0.00 H new ATOM 845 N GLY A 62 2.275 8.302 -7.881 1.00 0.00 N ATOM 846 CA GLY A 62 2.208 7.180 -8.801 1.00 0.00 C ATOM 847 C GLY A 62 3.015 5.991 -8.275 1.00 0.00 C ATOM 848 O GLY A 62 3.547 5.203 -9.055 1.00 0.00 O ATOM 0 H GLY A 62 1.386 8.551 -7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.169 6.884 -8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.591 7.481 -9.776 1.00 0.00 H new ATOM 852 N VAL A 63 3.079 5.898 -6.955 1.00 0.00 N ATOM 853 CA VAL A 63 3.812 4.819 -6.315 1.00 0.00 C ATOM 854 C VAL A 63 2.820 3.836 -5.689 1.00 0.00 C ATOM 855 O VAL A 63 3.215 2.784 -5.189 1.00 0.00 O ATOM 856 CB VAL A 63 4.807 5.390 -5.303 1.00 0.00 C ATOM 857 CG1 VAL A 63 5.721 6.427 -5.959 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.081 5.985 -4.095 1.00 0.00 C ATOM 0 H VAL A 63 2.635 6.553 -6.311 1.00 0.00 H new ATOM 0 HA VAL A 63 4.398 4.267 -7.050 1.00 0.00 H new ATOM 0 HB VAL A 63 5.431 4.570 -4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.419 6.817 -5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.278 5.959 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.118 7.244 -6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.812 6.384 -3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.421 6.787 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.492 5.209 -3.606 1.00 0.00 H new ATOM 868 N LEU A 64 1.551 4.215 -5.736 1.00 0.00 N ATOM 869 CA LEU A 64 0.500 3.380 -5.179 1.00 0.00 C ATOM 870 C LEU A 64 -0.294 2.739 -6.319 1.00 0.00 C ATOM 871 O LEU A 64 -0.649 3.410 -7.287 1.00 0.00 O ATOM 872 CB LEU A 64 -0.363 4.185 -4.205 1.00 0.00 C ATOM 873 CG LEU A 64 0.393 5.008 -3.160 1.00 0.00 C ATOM 874 CD1 LEU A 64 -0.275 6.367 -2.945 1.00 0.00 C ATOM 875 CD2 LEU A 64 0.543 4.229 -1.852 1.00 0.00 C ATOM 0 H LEU A 64 1.227 5.089 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 64 0.929 2.567 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.994 4.860 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.027 3.495 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 64 1.398 5.199 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.282 6.932 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.286 6.920 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.298 6.219 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.084 4.837 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.444 3.986 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.096 3.308 -2.038 1.00 0.00 H new ATOM 887 N GLN A 65 -0.549 1.448 -6.167 1.00 0.00 N ATOM 888 CA GLN A 65 -1.294 0.709 -7.172 1.00 0.00 C ATOM 889 C GLN A 65 -2.629 0.231 -6.597 1.00 0.00 C ATOM 890 O GLN A 65 -2.732 -0.044 -5.403 1.00 0.00 O ATOM 891 CB GLN A 65 -0.475 -0.467 -7.707 1.00 0.00 C ATOM 892 CG GLN A 65 0.691 0.025 -8.568 1.00 0.00 C ATOM 893 CD GLN A 65 2.017 -0.561 -8.079 1.00 0.00 C ATOM 894 OE1 GLN A 65 2.062 -1.490 -7.289 1.00 0.00 O ATOM 895 NE2 GLN A 65 3.092 0.031 -8.592 1.00 0.00 N ATOM 0 H GLN A 65 -0.253 0.895 -5.363 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.499 1.377 -8.009 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.093 -1.058 -6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.116 -1.123 -8.296 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.525 -0.258 -9.607 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.737 1.114 -8.537 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.984 0.804 -9.249 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.024 -0.288 -8.329 1.00 0.00 H new ATOM 904 N ILE A 66 -3.618 0.145 -7.475 1.00 0.00 N ATOM 905 CA ILE A 66 -4.942 -0.295 -7.070 1.00 0.00 C ATOM 906 C ILE A 66 -4.848 -1.704 -6.481 1.00 0.00 C ATOM 907 O ILE A 66 -4.592 -2.667 -7.203 1.00 0.00 O ATOM 908 CB ILE A 66 -5.925 -0.181 -8.236 1.00 0.00 C ATOM 909 CG1 ILE A 66 -6.141 1.282 -8.630 1.00 0.00 C ATOM 910 CG2 ILE A 66 -7.243 -0.888 -7.914 1.00 0.00 C ATOM 911 CD1 ILE A 66 -7.068 1.986 -7.637 1.00 0.00 C ATOM 0 H ILE A 66 -3.529 0.373 -8.465 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.336 0.353 -6.287 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.491 -0.687 -9.099 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.182 1.798 -8.666 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.568 1.333 -9.631 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.924 -0.792 -8.760 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.052 -1.944 -7.721 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.694 -0.433 -7.032 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.205 3.024 -7.940 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.034 1.482 -7.621 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.626 1.954 -6.641 1.00 0.00 H new ATOM 923 N GLY A 67 -5.061 -1.781 -5.176 1.00 0.00 N ATOM 924 CA GLY A 67 -5.004 -3.057 -4.482 1.00 0.00 C ATOM 925 C GLY A 67 -3.626 -3.278 -3.854 1.00 0.00 C ATOM 926 O GLY A 67 -3.214 -4.416 -3.638 1.00 0.00 O ATOM 0 H GLY A 67 -5.273 -0.981 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.770 -3.088 -3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.223 -3.865 -5.180 1.00 0.00 H new ATOM 930 N ASP A 68 -2.952 -2.171 -3.579 1.00 0.00 N ATOM 931 CA ASP A 68 -1.629 -2.229 -2.980 1.00 0.00 C ATOM 932 C ASP A 68 -1.680 -3.103 -1.725 1.00 0.00 C ATOM 933 O ASP A 68 -2.732 -3.640 -1.381 1.00 0.00 O ATOM 934 CB ASP A 68 -1.149 -0.836 -2.567 1.00 0.00 C ATOM 935 CG ASP A 68 -2.020 -0.136 -1.522 1.00 0.00 C ATOM 936 OD1 ASP A 68 -3.147 -0.629 -1.299 1.00 0.00 O ATOM 937 OD2 ASP A 68 -1.538 0.876 -0.968 1.00 0.00 O ATOM 0 H ASP A 68 -3.297 -1.228 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.942 -2.642 -3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.135 -0.919 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.098 -0.207 -3.456 1.00 0.00 H new ATOM 942 N ARG A 69 -0.531 -3.218 -1.076 1.00 0.00 N ATOM 943 CA ARG A 69 -0.432 -4.017 0.133 1.00 0.00 C ATOM 944 C ARG A 69 0.275 -3.226 1.236 1.00 0.00 C ATOM 945 O ARG A 69 1.455 -3.446 1.504 1.00 0.00 O ATOM 946 CB ARG A 69 0.337 -5.315 -0.126 1.00 0.00 C ATOM 947 CG ARG A 69 1.420 -5.108 -1.186 1.00 0.00 C ATOM 948 CD ARG A 69 0.854 -5.306 -2.594 1.00 0.00 C ATOM 949 NE ARG A 69 1.882 -5.908 -3.472 1.00 0.00 N ATOM 950 CZ ARG A 69 2.866 -5.216 -4.062 1.00 0.00 C ATOM 951 NH1 ARG A 69 2.961 -3.893 -3.872 1.00 0.00 N ATOM 952 NH2 ARG A 69 3.754 -5.847 -4.843 1.00 0.00 N ATOM 0 H ARG A 69 0.339 -2.771 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.445 -4.265 0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.792 -5.663 0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.354 -6.092 -0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.836 -4.105 -1.095 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.238 -5.808 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.025 -5.950 -2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.530 -4.349 -3.003 1.00 0.00 H new ATOM 0 HE ARG A 69 1.839 -6.913 -3.639 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.284 -3.413 -3.278 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.710 -3.366 -4.321 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.681 -6.854 -4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.503 -5.320 -5.292 1.00 0.00 H new ATOM 966 N VAL A 70 -0.477 -2.321 1.845 1.00 0.00 N ATOM 967 CA VAL A 70 0.062 -1.496 2.913 1.00 0.00 C ATOM 968 C VAL A 70 0.286 -2.360 4.156 1.00 0.00 C ATOM 969 O VAL A 70 -0.670 -2.838 4.764 1.00 0.00 O ATOM 970 CB VAL A 70 -0.863 -0.305 3.172 1.00 0.00 C ATOM 971 CG1 VAL A 70 -2.251 -0.774 3.613 1.00 0.00 C ATOM 972 CG2 VAL A 70 -0.254 0.649 4.202 1.00 0.00 C ATOM 0 H VAL A 70 -1.455 -2.141 1.619 1.00 0.00 H new ATOM 0 HA VAL A 70 1.029 -1.083 2.625 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.976 0.241 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.888 0.092 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.691 -1.394 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.164 -1.355 4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.932 1.487 4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.097 0.118 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.701 1.023 3.832 1.00 0.00 H new ATOM 982 N MET A 71 1.555 -2.533 4.496 1.00 0.00 N ATOM 983 CA MET A 71 1.917 -3.331 5.655 1.00 0.00 C ATOM 984 C MET A 71 1.684 -2.552 6.951 1.00 0.00 C ATOM 985 O MET A 71 1.452 -3.146 8.003 1.00 0.00 O ATOM 986 CB MET A 71 3.390 -3.732 5.559 1.00 0.00 C ATOM 987 CG MET A 71 3.769 -4.086 4.119 1.00 0.00 C ATOM 988 SD MET A 71 4.788 -5.551 4.098 1.00 0.00 S ATOM 989 CE MET A 71 3.720 -6.684 4.971 1.00 0.00 C ATOM 0 H MET A 71 2.345 -2.134 3.989 1.00 0.00 H new ATOM 0 HA MET A 71 1.289 -4.222 5.670 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.017 -2.914 5.913 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.582 -4.585 6.210 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.868 -4.251 3.527 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.304 -3.254 3.660 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.781 -7.670 4.510 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.034 -6.750 6.013 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.692 -6.325 4.924 1.00 0.00 H new ATOM 999 N ALA A 72 1.753 -1.234 6.832 1.00 0.00 N ATOM 1000 CA ALA A 72 1.552 -0.368 7.982 1.00 0.00 C ATOM 1001 C ALA A 72 1.159 1.030 7.499 1.00 0.00 C ATOM 1002 O ALA A 72 1.470 1.411 6.372 1.00 0.00 O ATOM 1003 CB ALA A 72 2.819 -0.354 8.838 1.00 0.00 C ATOM 0 H ALA A 72 1.945 -0.745 5.958 1.00 0.00 H new ATOM 0 HA ALA A 72 0.741 -0.741 8.607 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.668 0.295 9.700 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.039 -1.366 9.179 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.655 0.018 8.245 1.00 0.00 H new ATOM 1009 N ILE A 73 0.480 1.755 8.376 1.00 0.00 N ATOM 1010 CA ILE A 73 0.041 3.102 8.053 1.00 0.00 C ATOM 1011 C ILE A 73 0.468 4.055 9.172 1.00 0.00 C ATOM 1012 O ILE A 73 -0.141 4.076 10.240 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.462 3.122 7.769 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -1.808 2.214 6.587 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -1.961 4.553 7.558 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.253 2.431 6.134 1.00 0.00 C ATOM 0 H ILE A 73 0.223 1.435 9.310 1.00 0.00 H new ATOM 0 HA ILE A 73 0.520 3.449 7.137 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.980 2.726 8.642 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.129 2.415 5.758 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.665 1.171 6.871 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.032 4.539 7.358 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.767 5.142 8.454 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.440 4.999 6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.473 1.774 5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.930 2.206 6.958 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.386 3.469 5.828 1.00 0.00 H new ATOM 1028 N ASN A 74 1.512 4.819 8.888 1.00 0.00 N ATOM 1029 CA ASN A 74 2.028 5.772 9.857 1.00 0.00 C ATOM 1030 C ASN A 74 2.785 5.019 10.953 1.00 0.00 C ATOM 1031 O ASN A 74 3.134 5.597 11.981 1.00 0.00 O ATOM 1032 CB ASN A 74 0.892 6.554 10.518 1.00 0.00 C ATOM 1033 CG ASN A 74 1.098 8.062 10.358 1.00 0.00 C ATOM 1034 OD1 ASN A 74 0.209 8.648 9.562 1.00 0.00 O flip ATOM 1035 ND2 ASN A 74 2.005 8.653 10.920 1.00 0.00 N flip ATOM 0 H ASN A 74 2.015 4.798 8.001 1.00 0.00 H new ATOM 0 HA ASN A 74 2.685 6.465 9.332 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.060 6.264 10.074 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.840 6.301 11.577 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.653 8.141 11.518 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.115 9.659 10.792 1.00 0.00 H new ATOM 1042 N GLY A 75 3.015 3.739 10.696 1.00 0.00 N ATOM 1043 CA GLY A 75 3.724 2.901 11.649 1.00 0.00 C ATOM 1044 C GLY A 75 2.781 1.879 12.287 1.00 0.00 C ATOM 1045 O GLY A 75 3.230 0.886 12.857 1.00 0.00 O ATOM 0 H GLY A 75 2.723 3.262 9.843 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.541 2.383 11.146 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.170 3.523 12.425 1.00 0.00 H new ATOM 1049 N ILE A 76 1.491 2.158 12.170 1.00 0.00 N ATOM 1050 CA ILE A 76 0.481 1.275 12.729 1.00 0.00 C ATOM 1051 C ILE A 76 0.525 -0.069 12.000 1.00 0.00 C ATOM 1052 O ILE A 76 0.617 -0.112 10.774 1.00 0.00 O ATOM 1053 CB ILE A 76 -0.893 1.947 12.699 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -1.030 2.966 13.831 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -2.013 0.905 12.727 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -1.283 2.269 15.170 1.00 0.00 C ATOM 0 H ILE A 76 1.122 2.983 11.697 1.00 0.00 H new ATOM 0 HA ILE A 76 0.689 1.074 13.780 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.985 2.494 11.761 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.123 3.567 13.896 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.850 3.650 13.612 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.979 1.409 12.705 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.924 0.252 11.859 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.934 0.311 13.637 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.376 3.017 15.958 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.204 1.688 15.110 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.449 1.605 15.398 1.00 0.00 H new ATOM 1068 N PRO A 77 0.455 -1.163 12.805 1.00 0.00 N ATOM 1069 CA PRO A 77 0.486 -2.505 12.250 1.00 0.00 C ATOM 1070 C PRO A 77 -0.852 -2.858 11.596 1.00 0.00 C ATOM 1071 O PRO A 77 -1.793 -3.260 12.278 1.00 0.00 O ATOM 1072 CB PRO A 77 0.831 -3.408 13.422 1.00 0.00 C ATOM 1073 CG PRO A 77 0.524 -2.602 14.674 1.00 0.00 C ATOM 1074 CD PRO A 77 0.345 -1.150 14.261 1.00 0.00 C ATOM 0 HA PRO A 77 1.221 -2.614 11.452 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.243 -4.326 13.394 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.881 -3.701 13.394 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.379 -2.976 15.157 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.334 -2.696 15.397 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.622 -0.763 14.582 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.107 -0.514 14.710 1.00 0.00 H new ATOM 1082 N THR A 78 -0.893 -2.695 10.282 1.00 0.00 N ATOM 1083 CA THR A 78 -2.099 -2.992 9.528 1.00 0.00 C ATOM 1084 C THR A 78 -2.121 -4.465 9.116 1.00 0.00 C ATOM 1085 O THR A 78 -1.569 -4.832 8.079 1.00 0.00 O ATOM 1086 CB THR A 78 -2.165 -2.028 8.342 1.00 0.00 C ATOM 1087 OG1 THR A 78 -0.859 -2.084 7.776 1.00 0.00 O ATOM 1088 CG2 THR A 78 -2.318 -0.570 8.781 1.00 0.00 C ATOM 0 H THR A 78 -0.110 -2.361 9.720 1.00 0.00 H new ATOM 0 HA THR A 78 -2.992 -2.844 10.136 1.00 0.00 H new ATOM 0 HB THR A 78 -3.000 -2.303 7.697 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.440 -2.940 8.005 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.360 0.072 7.901 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.237 -0.458 9.356 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.466 -0.285 9.398 1.00 0.00 H new ATOM 1096 N GLU A 79 -2.765 -5.270 9.948 1.00 0.00 N ATOM 1097 CA GLU A 79 -2.867 -6.695 9.683 1.00 0.00 C ATOM 1098 C GLU A 79 -3.589 -7.399 10.833 1.00 0.00 C ATOM 1099 O GLU A 79 -3.214 -8.504 11.223 1.00 0.00 O ATOM 1100 CB GLU A 79 -1.485 -7.309 9.446 1.00 0.00 C ATOM 1101 CG GLU A 79 -1.436 -8.049 8.108 1.00 0.00 C ATOM 1102 CD GLU A 79 -2.050 -9.445 8.231 1.00 0.00 C ATOM 1103 OE1 GLU A 79 -3.084 -9.551 8.925 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -1.473 -10.374 7.627 1.00 0.00 O ATOM 0 H GLU A 79 -3.222 -4.962 10.807 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.452 -6.834 8.774 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.728 -6.525 9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.246 -7.998 10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.973 -7.477 7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.403 -8.131 7.771 1.00 0.00 H new ATOM 1111 N ASP A 80 -4.613 -6.731 11.343 1.00 0.00 N ATOM 1112 CA ASP A 80 -5.392 -7.279 12.441 1.00 0.00 C ATOM 1113 C ASP A 80 -6.561 -6.342 12.748 1.00 0.00 C ATOM 1114 O ASP A 80 -7.674 -6.797 13.011 1.00 0.00 O ATOM 1115 CB ASP A 80 -4.544 -7.408 13.707 1.00 0.00 C ATOM 1116 CG ASP A 80 -4.587 -8.783 14.378 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -4.472 -9.781 13.634 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -4.735 -8.805 15.619 1.00 0.00 O ATOM 0 H ASP A 80 -4.922 -5.815 11.016 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.747 -8.266 12.143 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.509 -7.174 13.458 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.876 -6.659 14.426 1.00 0.00 H new ATOM 1123 N SER A 81 -6.270 -5.050 12.706 1.00 0.00 N ATOM 1124 CA SER A 81 -7.283 -4.045 12.977 1.00 0.00 C ATOM 1125 C SER A 81 -8.436 -4.181 11.980 1.00 0.00 C ATOM 1126 O SER A 81 -8.429 -5.077 11.137 1.00 0.00 O ATOM 1127 CB SER A 81 -6.691 -2.635 12.915 1.00 0.00 C ATOM 1128 OG SER A 81 -5.432 -2.614 12.249 1.00 0.00 O ATOM 0 H SER A 81 -5.346 -4.676 12.488 1.00 0.00 H new ATOM 0 HA SER A 81 -7.663 -4.206 13.986 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.386 -1.973 12.398 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.573 -2.247 13.927 1.00 0.00 H new ATOM 0 HG SER A 81 -4.722 -2.847 12.884 1.00 0.00 H new ATOM 1134 N THR A 82 -9.398 -3.279 12.109 1.00 0.00 N ATOM 1135 CA THR A 82 -10.554 -3.288 11.230 1.00 0.00 C ATOM 1136 C THR A 82 -10.372 -2.274 10.099 1.00 0.00 C ATOM 1137 O THR A 82 -9.709 -1.253 10.276 1.00 0.00 O ATOM 1138 CB THR A 82 -11.798 -3.029 12.082 1.00 0.00 C ATOM 1139 OG1 THR A 82 -11.778 -1.623 12.309 1.00 0.00 O ATOM 1140 CG2 THR A 82 -11.684 -3.634 13.483 1.00 0.00 C ATOM 0 H THR A 82 -9.400 -2.537 12.809 1.00 0.00 H new ATOM 0 HA THR A 82 -10.672 -4.256 10.742 1.00 0.00 H new ATOM 0 HB THR A 82 -12.674 -3.439 11.579 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.552 -1.368 12.853 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.593 -3.421 14.046 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.550 -4.713 13.404 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.828 -3.199 13.999 1.00 0.00 H new ATOM 1148 N PHE A 83 -10.972 -2.591 8.960 1.00 0.00 N ATOM 1149 CA PHE A 83 -10.884 -1.721 7.800 1.00 0.00 C ATOM 1150 C PHE A 83 -11.159 -0.266 8.185 1.00 0.00 C ATOM 1151 O PHE A 83 -10.598 0.654 7.590 1.00 0.00 O ATOM 1152 CB PHE A 83 -11.954 -2.185 6.810 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.446 -1.087 5.866 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -13.363 -0.180 6.297 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -11.967 -1.018 4.595 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -13.820 0.839 5.420 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -12.424 0.001 3.718 1.00 0.00 C ATOM 1158 CZ PHE A 83 -13.341 0.908 4.149 1.00 0.00 C ATOM 0 H PHE A 83 -11.521 -3.439 8.817 1.00 0.00 H new ATOM 0 HA PHE A 83 -9.883 -1.773 7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.554 -3.007 6.217 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.804 -2.578 7.367 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.744 -0.235 7.306 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.239 -1.738 4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.548 1.559 5.762 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.043 0.056 2.709 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.689 1.683 3.482 1.00 0.00 H new ATOM 1168 N GLU A 84 -12.021 -0.102 9.177 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.378 1.226 9.647 1.00 0.00 C ATOM 1170 C GLU A 84 -11.149 1.932 10.225 1.00 0.00 C ATOM 1171 O GLU A 84 -10.966 3.131 10.024 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.506 1.158 10.678 1.00 0.00 C ATOM 1173 CG GLU A 84 -14.860 0.952 9.997 1.00 0.00 C ATOM 1174 CD GLU A 84 -15.897 1.945 10.525 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -16.022 2.028 11.766 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -16.540 2.599 9.676 1.00 0.00 O ATOM 0 H GLU A 84 -12.483 -0.867 9.669 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.741 1.805 8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.318 0.341 11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.525 2.078 11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.751 1.073 8.919 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.206 -0.067 10.170 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.338 1.157 10.930 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.132 1.693 11.538 1.00 0.00 C ATOM 1185 C GLU A 85 -8.267 2.383 10.481 1.00 0.00 C ATOM 1186 O GLU A 85 -8.093 3.601 10.515 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.346 0.595 12.258 1.00 0.00 C ATOM 1188 CG GLU A 85 -7.997 1.018 13.686 1.00 0.00 C ATOM 1189 CD GLU A 85 -6.786 1.954 13.700 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -7.007 3.170 13.516 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -5.667 1.432 13.894 1.00 0.00 O ATOM 0 H GLU A 85 -10.492 0.162 11.094 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.422 2.434 12.283 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.933 -0.323 12.280 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.432 0.375 11.706 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.853 1.518 14.141 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.786 0.135 14.289 1.00 0.00 H new ATOM 1198 N ALA A 86 -7.747 1.576 9.569 1.00 0.00 N ATOM 1199 CA ALA A 86 -6.904 2.094 8.504 1.00 0.00 C ATOM 1200 C ALA A 86 -7.487 3.413 7.994 1.00 0.00 C ATOM 1201 O ALA A 86 -6.761 4.390 7.820 1.00 0.00 O ATOM 1202 CB ALA A 86 -6.778 1.045 7.397 1.00 0.00 C ATOM 0 H ALA A 86 -7.893 0.567 9.545 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.900 2.299 8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.146 1.433 6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.332 0.138 7.804 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.766 0.816 6.999 1.00 0.00 H new ATOM 1208 N ASN A 87 -8.793 3.399 7.770 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.481 4.582 7.283 1.00 0.00 C ATOM 1210 C ASN A 87 -9.207 5.752 8.231 1.00 0.00 C ATOM 1211 O ASN A 87 -8.674 6.780 7.816 1.00 0.00 O ATOM 1212 CB ASN A 87 -10.994 4.358 7.234 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.591 4.925 5.944 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -11.453 6.095 5.628 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -12.260 4.032 5.220 1.00 0.00 N ATOM 0 H ASN A 87 -9.393 2.587 7.917 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.115 4.796 6.279 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.210 3.292 7.301 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.464 4.833 8.096 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.696 4.311 4.341 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.337 3.068 5.543 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.584 5.556 9.486 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.386 6.582 10.495 1.00 0.00 C ATOM 1224 C GLN A 88 -7.969 7.152 10.402 1.00 0.00 C ATOM 1225 O GLN A 88 -7.782 8.368 10.418 1.00 0.00 O ATOM 1226 CB GLN A 88 -9.665 6.034 11.896 1.00 0.00 C ATOM 1227 CG GLN A 88 -10.865 6.739 12.531 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.126 6.546 11.686 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.761 7.490 11.247 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.450 5.272 11.482 1.00 0.00 N ATOM 0 H GLN A 88 -10.025 4.702 9.827 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.094 7.389 10.308 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.856 4.962 11.840 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.785 6.168 12.525 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.032 6.347 13.534 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.653 7.803 12.636 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.874 4.529 11.879 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.274 5.038 10.929 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.007 6.246 10.306 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.612 6.643 10.210 1.00 0.00 C ATOM 1241 C LEU A 89 -5.490 7.836 9.259 1.00 0.00 C ATOM 1242 O LEU A 89 -5.021 8.903 9.653 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.741 5.450 9.814 1.00 0.00 C ATOM 1244 CG LEU A 89 -4.925 4.180 10.648 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.811 3.171 10.362 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -5.029 4.512 12.138 1.00 0.00 C ATOM 0 H LEU A 89 -7.166 5.239 10.293 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.242 6.970 11.182 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.943 5.208 8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.696 5.753 9.874 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.866 3.713 10.356 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.965 2.278 10.967 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.827 2.901 9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.846 3.614 10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.159 3.592 12.708 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.118 5.014 12.463 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.884 5.167 12.306 1.00 0.00 H new ATOM 1258 N LEU A 90 -5.921 7.615 8.026 1.00 0.00 N ATOM 1259 CA LEU A 90 -5.866 8.658 7.016 1.00 0.00 C ATOM 1260 C LEU A 90 -6.408 9.962 7.605 1.00 0.00 C ATOM 1261 O LEU A 90 -5.667 10.931 7.763 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.589 8.211 5.744 1.00 0.00 C ATOM 1263 CG LEU A 90 -5.819 7.249 4.837 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.510 7.104 3.480 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.358 7.683 4.693 1.00 0.00 C ATOM 0 H LEU A 90 -6.310 6.729 7.703 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.834 8.846 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.527 7.736 6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.845 9.098 5.165 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.818 6.264 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.942 6.415 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.518 6.716 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.562 8.077 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.833 6.983 4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.316 8.682 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.883 7.694 5.674 1.00 0.00 H new ATOM 1277 N ARG A 91 -7.696 9.944 7.915 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.345 11.112 8.483 1.00 0.00 C ATOM 1279 C ARG A 91 -7.423 11.791 9.498 1.00 0.00 C ATOM 1280 O ARG A 91 -7.179 12.994 9.413 1.00 0.00 O ATOM 1281 CB ARG A 91 -9.658 10.733 9.172 1.00 0.00 C ATOM 1282 CG ARG A 91 -10.608 10.037 8.196 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.036 10.011 8.745 1.00 0.00 C ATOM 1284 NE ARG A 91 -12.983 10.494 7.716 1.00 0.00 N ATOM 1285 CZ ARG A 91 -14.276 10.759 7.949 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -14.783 10.589 9.178 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -15.061 11.194 6.954 1.00 0.00 N ATOM 0 H ARG A 91 -8.307 9.138 7.783 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.562 11.800 7.666 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.453 10.075 10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.134 11.628 9.573 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.593 10.554 7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.266 9.018 8.014 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.300 8.997 9.047 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.104 10.636 9.635 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.630 10.634 6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.185 10.258 9.935 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.767 10.790 9.356 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.675 11.324 6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.045 11.396 7.132 1.00 0.00 H new ATOM 1301 N ASP A 92 -6.935 10.991 10.435 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.045 11.500 11.464 1.00 0.00 C ATOM 1303 C ASP A 92 -4.822 12.140 10.804 1.00 0.00 C ATOM 1304 O ASP A 92 -4.496 13.294 11.080 1.00 0.00 O ATOM 1305 CB ASP A 92 -5.554 10.372 12.375 1.00 0.00 C ATOM 1306 CG ASP A 92 -4.602 10.809 13.489 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -3.809 11.739 13.226 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -4.687 10.203 14.579 1.00 0.00 O ATOM 0 H ASP A 92 -7.139 9.994 10.503 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.598 12.229 12.057 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.420 9.887 12.827 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.053 9.623 11.762 1.00 0.00 H new ATOM 1313 N SER A 93 -4.179 11.364 9.945 1.00 0.00 N ATOM 1314 CA SER A 93 -2.999 11.841 9.243 1.00 0.00 C ATOM 1315 C SER A 93 -3.269 13.223 8.646 1.00 0.00 C ATOM 1316 O SER A 93 -2.356 14.039 8.523 1.00 0.00 O ATOM 1317 CB SER A 93 -2.577 10.861 8.147 1.00 0.00 C ATOM 1318 OG SER A 93 -2.389 9.542 8.652 1.00 0.00 O ATOM 0 H SER A 93 -4.452 10.408 9.719 1.00 0.00 H new ATOM 0 HA SER A 93 -2.181 11.916 9.959 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.335 10.845 7.364 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.652 11.208 7.687 1.00 0.00 H new ATOM 0 HG SER A 93 -1.454 9.426 8.923 1.00 0.00 H new ATOM 1324 N SER A 94 -4.526 13.443 8.290 1.00 0.00 N ATOM 1325 CA SER A 94 -4.927 14.713 7.708 1.00 0.00 C ATOM 1326 C SER A 94 -4.533 15.863 8.638 1.00 0.00 C ATOM 1327 O SER A 94 -4.436 17.010 8.205 1.00 0.00 O ATOM 1328 CB SER A 94 -6.432 14.743 7.435 1.00 0.00 C ATOM 1329 OG SER A 94 -7.166 15.249 8.547 1.00 0.00 O ATOM 0 H SER A 94 -5.280 12.764 8.393 1.00 0.00 H new ATOM 0 HA SER A 94 -4.410 14.831 6.756 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.629 15.361 6.559 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.778 13.736 7.200 1.00 0.00 H new ATOM 0 HG SER A 94 -7.567 14.504 9.041 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.317 15.515 9.898 1.00 0.00 N ATOM 1336 CA ILE A 95 -3.936 16.503 10.892 1.00 0.00 C ATOM 1337 C ILE A 95 -2.582 17.107 10.512 1.00 0.00 C ATOM 1338 O ILE A 95 -2.499 18.284 10.164 1.00 0.00 O ATOM 1339 CB ILE A 95 -3.965 15.892 12.294 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.402 15.731 12.793 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -3.108 16.706 13.266 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -5.490 14.652 13.874 1.00 0.00 C ATOM 0 H ILE A 95 -4.399 14.562 10.253 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.656 17.321 10.911 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.530 14.894 12.240 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.761 16.680 13.192 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.053 15.469 11.959 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.147 16.250 14.255 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.076 16.724 12.914 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.490 17.725 13.322 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.522 14.558 14.211 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.154 13.699 13.465 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.857 14.929 14.717 1.00 0.00 H new ATOM 1354 N THR A 96 -1.555 16.274 10.592 1.00 0.00 N ATOM 1355 CA THR A 96 -0.210 16.711 10.261 1.00 0.00 C ATOM 1356 C THR A 96 -0.114 17.063 8.775 1.00 0.00 C ATOM 1357 O THR A 96 0.875 17.648 8.335 1.00 0.00 O ATOM 1358 CB THR A 96 0.763 15.610 10.688 1.00 0.00 C ATOM 1359 OG1 THR A 96 2.033 16.074 10.236 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.547 14.306 9.918 1.00 0.00 C ATOM 0 H THR A 96 -1.628 15.299 10.881 1.00 0.00 H new ATOM 0 HA THR A 96 0.052 17.623 10.797 1.00 0.00 H new ATOM 0 HB THR A 96 0.653 15.423 11.756 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.907 16.704 9.496 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.263 13.559 10.260 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.466 13.944 10.092 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.690 14.485 8.852 1.00 0.00 H new ATOM 1368 N SER A 97 -1.154 16.692 8.043 1.00 0.00 N ATOM 1369 CA SER A 97 -1.200 16.961 6.616 1.00 0.00 C ATOM 1370 C SER A 97 -0.183 16.082 5.885 1.00 0.00 C ATOM 1371 O SER A 97 0.257 16.418 4.787 1.00 0.00 O ATOM 1372 CB SER A 97 -0.930 18.439 6.326 1.00 0.00 C ATOM 1373 OG SER A 97 -2.086 19.104 5.825 1.00 0.00 O ATOM 0 H SER A 97 -1.972 16.207 8.412 1.00 0.00 H new ATOM 0 HA SER A 97 -2.201 16.724 6.255 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.595 18.932 7.238 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.120 18.524 5.602 1.00 0.00 H new ATOM 0 HG SER A 97 -1.874 20.045 5.654 1.00 0.00 H new ATOM 1379 N LYS A 98 0.161 14.974 6.524 1.00 0.00 N ATOM 1380 CA LYS A 98 1.118 14.044 5.949 1.00 0.00 C ATOM 1381 C LYS A 98 0.796 12.627 6.425 1.00 0.00 C ATOM 1382 O LYS A 98 0.586 12.401 7.616 1.00 0.00 O ATOM 1383 CB LYS A 98 2.549 14.487 6.260 1.00 0.00 C ATOM 1384 CG LYS A 98 3.488 14.168 5.094 1.00 0.00 C ATOM 1385 CD LYS A 98 4.491 15.302 4.872 1.00 0.00 C ATOM 1386 CE LYS A 98 4.030 16.229 3.746 1.00 0.00 C ATOM 1387 NZ LYS A 98 4.809 17.488 3.759 1.00 0.00 N ATOM 0 H LYS A 98 -0.206 14.699 7.435 1.00 0.00 H new ATOM 0 HA LYS A 98 1.039 14.041 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.566 15.558 6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.901 13.986 7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.022 13.240 5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.906 14.010 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.609 15.873 5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.468 14.885 4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.150 15.730 2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.969 16.450 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.483 18.106 2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.674 17.971 4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.818 17.273 3.628 1.00 0.00 H new ATOM 1401 N VAL A 99 0.766 11.708 5.471 1.00 0.00 N ATOM 1402 CA VAL A 99 0.473 10.319 5.778 1.00 0.00 C ATOM 1403 C VAL A 99 1.636 9.441 5.312 1.00 0.00 C ATOM 1404 O VAL A 99 2.260 9.723 4.290 1.00 0.00 O ATOM 1405 CB VAL A 99 -0.866 9.916 5.156 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -0.784 9.920 3.629 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.325 8.554 5.678 1.00 0.00 C ATOM 0 H VAL A 99 0.940 11.899 4.484 1.00 0.00 H new ATOM 0 HA VAL A 99 0.371 10.180 6.854 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.610 10.655 5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.748 9.630 3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.524 10.920 3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.021 9.213 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.279 8.291 5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.581 7.798 5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.443 8.600 6.761 1.00 0.00 H new ATOM 1417 N THR A 100 1.893 8.395 6.083 1.00 0.00 N ATOM 1418 CA THR A 100 2.970 7.474 5.762 1.00 0.00 C ATOM 1419 C THR A 100 2.421 6.061 5.560 1.00 0.00 C ATOM 1420 O THR A 100 2.101 5.371 6.527 1.00 0.00 O ATOM 1421 CB THR A 100 4.018 7.567 6.873 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.861 8.641 6.467 1.00 0.00 O ATOM 1423 CG2 THR A 100 4.949 6.353 6.902 1.00 0.00 C ATOM 0 H THR A 100 1.373 8.165 6.930 1.00 0.00 H new ATOM 0 HA THR A 100 3.450 7.739 4.820 1.00 0.00 H new ATOM 0 HB THR A 100 3.518 7.664 7.836 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.568 8.771 7.133 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.673 6.469 7.708 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.363 5.449 7.068 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.475 6.275 5.950 1.00 0.00 H new ATOM 1431 N LEU A 101 2.330 5.671 4.297 1.00 0.00 N ATOM 1432 CA LEU A 101 1.826 4.351 3.956 1.00 0.00 C ATOM 1433 C LEU A 101 3.004 3.413 3.689 1.00 0.00 C ATOM 1434 O LEU A 101 3.820 3.671 2.806 1.00 0.00 O ATOM 1435 CB LEU A 101 0.835 4.441 2.794 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.333 5.412 2.981 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -0.687 6.103 1.662 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -1.540 4.706 3.601 1.00 0.00 C ATOM 0 H LEU A 101 2.597 6.246 3.497 1.00 0.00 H new ATOM 0 HA LEU A 101 1.266 3.929 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.383 4.731 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.429 3.446 2.611 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.023 6.190 3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.520 6.788 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.177 6.661 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.970 5.353 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.355 5.419 3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.862 3.895 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.264 4.301 4.574 1.00 0.00 H new ATOM 1450 N GLU A 102 3.055 2.343 4.469 1.00 0.00 N ATOM 1451 CA GLU A 102 4.120 1.364 4.327 1.00 0.00 C ATOM 1452 C GLU A 102 3.732 0.302 3.297 1.00 0.00 C ATOM 1453 O GLU A 102 2.928 -0.583 3.585 1.00 0.00 O ATOM 1454 CB GLU A 102 4.458 0.723 5.675 1.00 0.00 C ATOM 1455 CG GLU A 102 5.894 0.196 5.686 1.00 0.00 C ATOM 1456 CD GLU A 102 6.640 0.664 6.938 1.00 0.00 C ATOM 1457 OE1 GLU A 102 5.999 0.671 8.011 1.00 0.00 O ATOM 1458 OE2 GLU A 102 7.834 1.005 6.792 1.00 0.00 O ATOM 0 H GLU A 102 2.377 2.132 5.201 1.00 0.00 H new ATOM 0 HA GLU A 102 5.013 1.877 3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.329 1.455 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.765 -0.094 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.886 -0.893 5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.419 0.541 4.795 1.00 0.00 H new ATOM 1465 N ILE A 103 4.321 0.425 2.116 1.00 0.00 N ATOM 1466 CA ILE A 103 4.047 -0.513 1.041 1.00 0.00 C ATOM 1467 C ILE A 103 5.184 -1.533 0.958 1.00 0.00 C ATOM 1468 O ILE A 103 6.238 -1.343 1.562 1.00 0.00 O ATOM 1469 CB ILE A 103 3.792 0.234 -0.270 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.662 1.252 -0.110 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.525 -0.745 -1.415 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.309 0.552 0.034 1.00 0.00 C ATOM 0 H ILE A 103 4.987 1.161 1.880 1.00 0.00 H new ATOM 0 HA ILE A 103 3.133 -1.071 1.245 1.00 0.00 H new ATOM 0 HB ILE A 103 4.693 0.792 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.849 1.873 0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.641 1.917 -0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.347 -0.189 -2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.389 -1.396 -1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.648 -1.349 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.523 1.299 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.114 -0.049 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.325 -0.093 0.913 1.00 0.00 H new ATOM 1484 N GLU A 104 4.932 -2.592 0.203 1.00 0.00 N ATOM 1485 CA GLU A 104 5.922 -3.642 0.032 1.00 0.00 C ATOM 1486 C GLU A 104 6.027 -4.038 -1.442 1.00 0.00 C ATOM 1487 O GLU A 104 5.012 -4.199 -2.119 1.00 0.00 O ATOM 1488 CB GLU A 104 5.591 -4.855 0.904 1.00 0.00 C ATOM 1489 CG GLU A 104 6.278 -6.115 0.374 1.00 0.00 C ATOM 1490 CD GLU A 104 6.442 -7.157 1.482 1.00 0.00 C ATOM 1491 OE1 GLU A 104 6.965 -6.772 2.550 1.00 0.00 O ATOM 1492 OE2 GLU A 104 6.042 -8.315 1.236 1.00 0.00 O ATOM 0 H GLU A 104 4.057 -2.746 -0.297 1.00 0.00 H new ATOM 0 HA GLU A 104 6.890 -3.258 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.909 -4.667 1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.512 -5.007 0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.692 -6.537 -0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.255 -5.856 -0.035 1.00 0.00 H new ATOM 1499 N PHE A 105 7.263 -4.184 -1.896 1.00 0.00 N ATOM 1500 CA PHE A 105 7.513 -4.558 -3.278 1.00 0.00 C ATOM 1501 C PHE A 105 8.577 -5.654 -3.364 1.00 0.00 C ATOM 1502 O PHE A 105 9.116 -6.083 -2.345 1.00 0.00 O ATOM 1503 CB PHE A 105 8.027 -3.307 -3.994 1.00 0.00 C ATOM 1504 CG PHE A 105 9.047 -2.502 -3.186 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.650 -1.816 -2.081 1.00 0.00 C ATOM 1506 CD2 PHE A 105 10.350 -2.473 -3.573 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.596 -1.069 -1.332 1.00 0.00 C ATOM 1508 CE2 PHE A 105 11.297 -1.726 -2.823 1.00 0.00 C ATOM 1509 CZ PHE A 105 10.900 -1.040 -1.718 1.00 0.00 C ATOM 0 H PHE A 105 8.102 -4.050 -1.332 1.00 0.00 H new ATOM 0 HA PHE A 105 6.599 -4.939 -3.732 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.480 -3.603 -4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 105 7.180 -2.664 -4.234 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.615 -1.840 -1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.665 -3.018 -4.451 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.280 -0.523 -0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.332 -1.703 -3.130 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.620 -0.472 -1.147 1.00 0.00 H new ATOM 1519 N ASP A 106 8.848 -6.076 -4.591 1.00 0.00 N ATOM 1520 CA ASP A 106 9.838 -7.113 -4.824 1.00 0.00 C ATOM 1521 C ASP A 106 11.133 -6.473 -5.328 1.00 0.00 C ATOM 1522 O ASP A 106 11.101 -5.441 -5.996 1.00 0.00 O ATOM 1523 CB ASP A 106 9.357 -8.105 -5.886 1.00 0.00 C ATOM 1524 CG ASP A 106 8.659 -7.473 -7.091 1.00 0.00 C ATOM 1525 OD1 ASP A 106 8.816 -6.244 -7.259 1.00 0.00 O ATOM 1526 OD2 ASP A 106 7.983 -8.233 -7.818 1.00 0.00 O ATOM 0 H ASP A 106 8.399 -5.718 -5.434 1.00 0.00 H new ATOM 0 HA ASP A 106 10.001 -7.640 -3.884 1.00 0.00 H new ATOM 0 HB2 ASP A 106 10.214 -8.678 -6.241 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.672 -8.812 -5.418 1.00 0.00 H new