USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 798 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 65 TYR OH : rot 30:sc= -0.432 USER MOD Set 1.2: B 13 ASN : amide:sc= -2.38! C(o=-2.8!,f=-3!) USER MOD Set 2.1: A 76 SER OG : rot 114:sc= 0.0234 USER MOD Set 2.2: A 80 CYS SG : rot -91:sc= 0.5 USER MOD Set 2.3: A 82 THR OG1 : rot 142:sc= 0.941 USER MOD Set 3.1: A 69 SER OG : rot -81:sc= 1.27 USER MOD Set 3.2: A 70 ASN : amide:sc= 0.259 K(o=1.5,f=-3.2) USER MOD Set 4.1: A 17 HIS : no HD1:sc= -4.58! C(o=-5.1!,f=-11!) USER MOD Set 4.2: A 19 THR OG1 : rot 15:sc= -0.539! USER MOD Single : A 16 ASN : amide:sc= -0.475 K(o=-0.47,f=-1.8!) USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= -0.0669 (180deg=-0.478) USER MOD Single : A 22 LYS NZ :NH3+ -120:sc= 0.822 (180deg=-0.898) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.39 K(o=-2.4,f=-0.9!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -173:sc= -1.61 (180deg=-1.71) USER MOD Single : A 41 THR OG1 : rot -41:sc= 0.836 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.315 K(o=0.32,f=-1.1) USER MOD Single : A 59 TYR OH : rot 155:sc= 1.08 USER MOD Single : A 61 CYS SG : rot 180:sc= -2.09 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -112:sc= 0.0209 USER MOD Single : A 81 GLN : amide:sc= -0.015 K(o=-0.015,f=-0.54) USER MOD Single : A 84 GLN : amide:sc= -1.05! K(o=-1.1!,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 0.792 (180deg=0.738) USER MOD Single : A 91 CYS SG : rot 91:sc= 0.142 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.82) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -120:sc= 0 (180deg=-0.491) USER MOD Single : B 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 9 CYS SG : rot 123:sc= 0.69 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 16.830 12.467 -7.922 1.00 0.00 N ATOM 163 CA PRO A 14 15.794 12.226 -8.931 1.00 0.00 C ATOM 164 C PRO A 14 14.471 11.790 -8.310 1.00 0.00 C ATOM 165 O PRO A 14 14.448 11.149 -7.259 1.00 0.00 O ATOM 166 CB PRO A 14 16.382 11.097 -9.781 1.00 0.00 C ATOM 167 CG PRO A 14 17.329 10.392 -8.873 1.00 0.00 C ATOM 168 CD PRO A 14 17.892 11.448 -7.962 1.00 0.00 C ATOM 0 HA PRO A 14 15.560 13.127 -9.498 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.603 10.424 -10.139 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.894 11.489 -10.660 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.818 9.616 -8.303 1.00 0.00 H new ATOM 0 HG3 PRO A 14 18.121 9.902 -9.439 1.00 0.00 H new ATOM 0 HD2 PRO A 14 18.105 11.050 -6.970 1.00 0.00 H new ATOM 0 HD3 PRO A 14 18.826 11.856 -8.349 1.00 0.00 H new ATOM 176 N ASP A 15 13.370 12.142 -8.965 1.00 0.00 N ATOM 177 CA ASP A 15 12.043 11.786 -8.478 1.00 0.00 C ATOM 178 C ASP A 15 11.742 10.315 -8.746 1.00 0.00 C ATOM 179 O ASP A 15 10.632 9.844 -8.502 1.00 0.00 O ATOM 180 CB ASP A 15 10.980 12.665 -9.140 1.00 0.00 C ATOM 181 CG ASP A 15 11.474 14.075 -9.398 1.00 0.00 C ATOM 182 OD1 ASP A 15 12.433 14.501 -8.721 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.902 14.753 -10.277 1.00 0.00 O ATOM 0 H ASP A 15 13.371 12.674 -9.835 1.00 0.00 H new ATOM 0 HA ASP A 15 12.022 11.953 -7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.674 12.212 -10.083 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.096 12.703 -8.503 1.00 0.00 H new ATOM 188 N ASN A 16 12.739 9.595 -9.250 1.00 0.00 N ATOM 189 CA ASN A 16 12.581 8.177 -9.553 1.00 0.00 C ATOM 190 C ASN A 16 13.760 7.371 -9.016 1.00 0.00 C ATOM 191 O ASN A 16 14.088 6.306 -9.539 1.00 0.00 O ATOM 192 CB ASN A 16 12.452 7.968 -11.063 1.00 0.00 C ATOM 193 CG ASN A 16 13.415 8.834 -11.851 1.00 0.00 C ATOM 194 OD1 ASN A 16 13.334 10.062 -11.815 1.00 0.00 O ATOM 195 ND2 ASN A 16 14.333 8.197 -12.568 1.00 0.00 N ATOM 0 H ASN A 16 13.665 9.970 -9.457 1.00 0.00 H new ATOM 0 HA ASN A 16 11.672 7.826 -9.065 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.634 6.920 -11.299 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.431 8.191 -11.372 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.008 8.727 -13.119 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.363 7.177 -12.568 1.00 0.00 H new ATOM 202 N HIS A 17 14.393 7.886 -7.966 1.00 0.00 N ATOM 203 CA HIS A 17 15.535 7.214 -7.357 1.00 0.00 C ATOM 204 C HIS A 17 15.147 5.823 -6.865 1.00 0.00 C ATOM 205 O HIS A 17 14.059 5.607 -6.331 1.00 0.00 O ATOM 206 CB HIS A 17 16.081 8.045 -6.195 1.00 0.00 C ATOM 207 CG HIS A 17 17.554 7.877 -5.980 1.00 0.00 C ATOM 208 ND1 HIS A 17 18.089 7.321 -4.838 1.00 0.00 N ATOM 209 CD2 HIS A 17 18.606 8.196 -6.770 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.407 7.306 -4.934 1.00 0.00 C ATOM 211 NE2 HIS A 17 19.746 7.831 -6.097 1.00 0.00 N ATOM 0 H HIS A 17 14.134 8.766 -7.520 1.00 0.00 H new ATOM 0 HA HIS A 17 16.311 7.109 -8.115 1.00 0.00 H new ATOM 0 HB2 HIS A 17 15.867 9.098 -6.379 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.555 7.768 -5.282 1.00 0.00 H new ATOM 0 HD2 HIS A 17 18.558 8.653 -7.748 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.091 6.928 -4.188 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.700 7.947 -6.440 1.00 0.00 H new ATOM 220 N PRO A 18 16.057 4.855 -7.050 1.00 0.00 N ATOM 221 CA PRO A 18 15.833 3.468 -6.632 1.00 0.00 C ATOM 222 C PRO A 18 15.831 3.312 -5.116 1.00 0.00 C ATOM 223 O PRO A 18 15.204 2.400 -4.575 1.00 0.00 O ATOM 224 CB PRO A 18 17.018 2.717 -7.246 1.00 0.00 C ATOM 225 CG PRO A 18 18.085 3.746 -7.390 1.00 0.00 C ATOM 226 CD PRO A 18 17.375 5.040 -7.680 1.00 0.00 C ATOM 0 HA PRO A 18 14.861 3.097 -6.956 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.342 1.897 -6.605 1.00 0.00 H new ATOM 0 HB3 PRO A 18 16.755 2.282 -8.210 1.00 0.00 H new ATOM 0 HG2 PRO A 18 18.679 3.822 -6.479 1.00 0.00 H new ATOM 0 HG3 PRO A 18 18.770 3.487 -8.197 1.00 0.00 H new ATOM 0 HD2 PRO A 18 17.906 5.893 -7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.287 5.218 -8.752 1.00 0.00 H new ATOM 234 N THR A 19 16.537 4.207 -4.432 1.00 0.00 N ATOM 235 CA THR A 19 16.617 4.169 -2.978 1.00 0.00 C ATOM 236 C THR A 19 15.760 5.262 -2.350 1.00 0.00 C ATOM 237 O THR A 19 15.326 5.145 -1.204 1.00 0.00 O ATOM 238 CB THR A 19 18.070 4.329 -2.491 1.00 0.00 C ATOM 239 OG1 THR A 19 18.670 5.473 -3.107 1.00 0.00 O ATOM 240 CG2 THR A 19 18.888 3.086 -2.810 1.00 0.00 C ATOM 0 H THR A 19 17.062 4.968 -4.863 1.00 0.00 H new ATOM 0 HA THR A 19 16.242 3.194 -2.667 1.00 0.00 H new ATOM 0 HB THR A 19 18.054 4.466 -1.410 1.00 0.00 H new ATOM 0 HG1 THR A 19 17.973 6.030 -3.511 1.00 0.00 H new ATOM 0 HG21 THR A 19 19.910 3.223 -2.457 1.00 0.00 H new ATOM 0 HG22 THR A 19 18.445 2.222 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 19 18.895 2.922 -3.888 1.00 0.00 H new ATOM 248 N LYS A 20 15.518 6.326 -3.109 1.00 0.00 N ATOM 249 CA LYS A 20 14.710 7.441 -2.629 1.00 0.00 C ATOM 250 C LYS A 20 13.428 7.574 -3.444 1.00 0.00 C ATOM 251 O LYS A 20 13.470 7.768 -4.659 1.00 0.00 O ATOM 252 CB LYS A 20 15.510 8.744 -2.699 1.00 0.00 C ATOM 253 CG LYS A 20 16.307 9.037 -1.440 1.00 0.00 C ATOM 254 CD LYS A 20 17.624 8.279 -1.425 1.00 0.00 C ATOM 255 CE LYS A 20 18.732 9.073 -2.101 1.00 0.00 C ATOM 256 NZ LYS A 20 19.067 10.311 -1.345 1.00 0.00 N ATOM 0 H LYS A 20 15.870 6.439 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 20 14.441 7.243 -1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.192 8.696 -3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.825 9.571 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.501 10.107 -1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.719 8.764 -0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.908 8.061 -0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.500 7.322 -1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.622 8.450 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.424 9.337 -3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.040 10.603 -1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.407 11.070 -1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.988 10.127 -0.325 1.00 0.00 H new ATOM 270 N PHE A 21 12.289 7.470 -2.767 1.00 0.00 N ATOM 271 CA PHE A 21 10.994 7.580 -3.429 1.00 0.00 C ATOM 272 C PHE A 21 10.156 8.690 -2.803 1.00 0.00 C ATOM 273 O PHE A 21 9.624 8.538 -1.703 1.00 0.00 O ATOM 274 CB PHE A 21 10.242 6.250 -3.348 1.00 0.00 C ATOM 275 CG PHE A 21 10.980 5.104 -3.979 1.00 0.00 C ATOM 276 CD1 PHE A 21 10.873 4.858 -5.338 1.00 0.00 C ATOM 277 CD2 PHE A 21 11.781 4.272 -3.213 1.00 0.00 C ATOM 278 CE1 PHE A 21 11.551 3.804 -5.921 1.00 0.00 C ATOM 279 CE2 PHE A 21 12.461 3.217 -3.790 1.00 0.00 C ATOM 280 CZ PHE A 21 12.347 2.983 -5.146 1.00 0.00 C ATOM 0 H PHE A 21 12.236 7.310 -1.761 1.00 0.00 H new ATOM 0 HA PHE A 21 11.169 7.828 -4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.048 6.015 -2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.273 6.360 -3.835 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.253 5.497 -5.949 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.875 4.451 -2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.459 3.622 -6.982 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.081 2.576 -3.181 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.879 2.160 -5.600 1.00 0.00 H new ATOM 290 N LYS A 22 10.042 9.809 -3.511 1.00 0.00 N ATOM 291 CA LYS A 22 9.269 10.946 -3.028 1.00 0.00 C ATOM 292 C LYS A 22 7.775 10.637 -3.049 1.00 0.00 C ATOM 293 O LYS A 22 7.174 10.499 -4.114 1.00 0.00 O ATOM 294 CB LYS A 22 9.556 12.184 -3.881 1.00 0.00 C ATOM 295 CG LYS A 22 10.893 12.837 -3.575 1.00 0.00 C ATOM 296 CD LYS A 22 11.470 13.526 -4.800 1.00 0.00 C ATOM 297 CE LYS A 22 12.991 13.513 -4.782 1.00 0.00 C ATOM 298 NZ LYS A 22 13.537 12.159 -5.076 1.00 0.00 N ATOM 0 H LYS A 22 10.476 9.952 -4.423 1.00 0.00 H new ATOM 0 HA LYS A 22 9.567 11.144 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.531 11.903 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.761 12.914 -3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.769 13.564 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.594 12.083 -3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.111 13.029 -5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.114 14.556 -4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.369 14.224 -5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.346 13.844 -3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.109 11.833 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.752 11.495 -5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.132 12.202 -5.928 1.00 0.00 H new ATOM 312 N VAL A 23 7.181 10.530 -1.864 1.00 0.00 N ATOM 313 CA VAL A 23 5.757 10.240 -1.747 1.00 0.00 C ATOM 314 C VAL A 23 4.981 11.472 -1.297 1.00 0.00 C ATOM 315 O VAL A 23 5.567 12.504 -0.966 1.00 0.00 O ATOM 316 CB VAL A 23 5.499 9.093 -0.752 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.164 7.811 -1.231 1.00 0.00 C ATOM 318 CG2 VAL A 23 5.990 9.471 0.637 1.00 0.00 C ATOM 0 H VAL A 23 7.664 10.640 -0.972 1.00 0.00 H new ATOM 0 HA VAL A 23 5.412 9.938 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 23 4.424 8.918 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.971 7.012 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.759 7.533 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.239 7.969 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.799 8.649 1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.060 9.674 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.463 10.361 0.980 1.00 0.00 H new ATOM 328 N THR A 24 3.656 11.359 -1.286 1.00 0.00 N ATOM 329 CA THR A 24 2.798 12.464 -0.878 1.00 0.00 C ATOM 330 C THR A 24 1.588 11.961 -0.098 1.00 0.00 C ATOM 331 O THR A 24 0.652 11.408 -0.674 1.00 0.00 O ATOM 332 CB THR A 24 2.309 13.275 -2.093 1.00 0.00 C ATOM 333 OG1 THR A 24 3.399 14.011 -2.661 1.00 0.00 O ATOM 334 CG2 THR A 24 1.197 14.233 -1.693 1.00 0.00 C ATOM 0 H THR A 24 3.154 10.513 -1.555 1.00 0.00 H new ATOM 0 HA THR A 24 3.398 13.110 -0.237 1.00 0.00 H new ATOM 0 HB THR A 24 1.917 12.578 -2.833 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.081 14.523 -3.434 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.868 14.794 -2.568 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.358 13.668 -1.288 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.567 14.924 -0.936 1.00 0.00 H new ATOM 342 N ASN A 25 1.615 12.157 1.217 1.00 0.00 N ATOM 343 CA ASN A 25 0.519 11.724 2.076 1.00 0.00 C ATOM 344 C ASN A 25 -0.809 12.305 1.601 1.00 0.00 C ATOM 345 O ASN A 25 -0.975 13.523 1.530 1.00 0.00 O ATOM 346 CB ASN A 25 0.783 12.142 3.524 1.00 0.00 C ATOM 347 CG ASN A 25 -0.128 11.432 4.507 1.00 0.00 C ATOM 348 OD1 ASN A 25 0.311 10.566 5.263 1.00 0.00 O ATOM 349 ND2 ASN A 25 -1.405 11.796 4.498 1.00 0.00 N ATOM 0 H ASN A 25 2.383 12.612 1.710 1.00 0.00 H new ATOM 0 HA ASN A 25 0.458 10.637 2.024 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.822 11.929 3.777 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.646 13.219 3.619 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.066 11.353 5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.725 12.519 3.854 1.00 0.00 H new ATOM 356 N VAL A 26 -1.751 11.426 1.276 1.00 0.00 N ATOM 357 CA VAL A 26 -3.065 11.852 0.809 1.00 0.00 C ATOM 358 C VAL A 26 -4.165 11.370 1.749 1.00 0.00 C ATOM 359 O VAL A 26 -3.950 10.473 2.564 1.00 0.00 O ATOM 360 CB VAL A 26 -3.353 11.329 -0.610 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.286 11.810 -1.583 1.00 0.00 C ATOM 362 CG2 VAL A 26 -3.441 9.811 -0.611 1.00 0.00 C ATOM 0 H VAL A 26 -1.629 10.415 1.327 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.057 12.942 0.792 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.314 11.726 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.506 11.431 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.277 12.900 -1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.310 11.445 -1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.645 9.459 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.496 9.392 -0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.245 9.493 0.053 1.00 0.00 H new ATOM 372 N ASP A 27 -5.343 11.972 1.629 1.00 0.00 N ATOM 373 CA ASP A 27 -6.479 11.603 2.467 1.00 0.00 C ATOM 374 C ASP A 27 -7.379 10.601 1.751 1.00 0.00 C ATOM 375 O ASP A 27 -7.093 10.186 0.628 1.00 0.00 O ATOM 376 CB ASP A 27 -7.283 12.847 2.849 1.00 0.00 C ATOM 377 CG ASP A 27 -8.154 13.345 1.713 1.00 0.00 C ATOM 378 OD1 ASP A 27 -7.756 13.175 0.542 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.234 13.906 1.995 1.00 0.00 O ATOM 0 H ASP A 27 -5.537 12.717 0.960 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.094 11.136 3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.910 12.620 3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.599 13.639 3.152 1.00 0.00 H new ATOM 384 N ASP A 28 -8.466 10.214 2.410 1.00 0.00 N ATOM 385 CA ASP A 28 -9.408 9.260 1.838 1.00 0.00 C ATOM 386 C ASP A 28 -9.828 9.686 0.434 1.00 0.00 C ATOM 387 O ASP A 28 -9.941 8.858 -0.468 1.00 0.00 O ATOM 388 CB ASP A 28 -10.640 9.127 2.734 1.00 0.00 C ATOM 389 CG ASP A 28 -10.952 10.408 3.484 1.00 0.00 C ATOM 390 OD1 ASP A 28 -10.633 11.495 2.958 1.00 0.00 O ATOM 391 OD2 ASP A 28 -11.513 10.323 4.596 1.00 0.00 O ATOM 0 H ASP A 28 -8.716 10.547 3.341 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.911 8.292 1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.500 8.847 2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.480 8.320 3.449 1.00 0.00 H new ATOM 396 N GLU A 29 -10.058 10.984 0.260 1.00 0.00 N ATOM 397 CA GLU A 29 -10.468 11.519 -1.034 1.00 0.00 C ATOM 398 C GLU A 29 -9.373 11.318 -2.077 1.00 0.00 C ATOM 399 O GLU A 29 -9.654 11.065 -3.247 1.00 0.00 O ATOM 400 CB GLU A 29 -10.805 13.007 -0.912 1.00 0.00 C ATOM 401 CG GLU A 29 -11.783 13.319 0.208 1.00 0.00 C ATOM 402 CD GLU A 29 -13.228 13.263 -0.246 1.00 0.00 C ATOM 403 OE1 GLU A 29 -13.797 12.152 -0.278 1.00 0.00 O ATOM 404 OE2 GLU A 29 -13.790 14.330 -0.570 1.00 0.00 O ATOM 0 H GLU A 29 -9.968 11.683 0.997 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.357 10.978 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.885 13.567 -0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.224 13.355 -1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.634 12.610 1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.569 14.311 0.606 1.00 0.00 H new ATOM 411 N GLY A 30 -8.121 11.434 -1.643 1.00 0.00 N ATOM 412 CA GLY A 30 -7.002 11.263 -2.550 1.00 0.00 C ATOM 413 C GLY A 30 -6.233 12.550 -2.771 1.00 0.00 C ATOM 414 O GLY A 30 -5.290 12.591 -3.562 1.00 0.00 O ATOM 0 H GLY A 30 -7.863 11.643 -0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.328 10.505 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.368 10.893 -3.508 1.00 0.00 H new ATOM 418 N VAL A 31 -6.636 13.606 -2.072 1.00 0.00 N ATOM 419 CA VAL A 31 -5.979 14.902 -2.196 1.00 0.00 C ATOM 420 C VAL A 31 -4.576 14.865 -1.602 1.00 0.00 C ATOM 421 O VAL A 31 -4.227 13.943 -0.866 1.00 0.00 O ATOM 422 CB VAL A 31 -6.790 16.012 -1.501 1.00 0.00 C ATOM 423 CG1 VAL A 31 -8.225 16.021 -2.006 1.00 0.00 C ATOM 424 CG2 VAL A 31 -6.749 15.834 0.009 1.00 0.00 C ATOM 0 H VAL A 31 -7.415 13.590 -1.414 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.914 15.123 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.339 16.974 -1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.783 16.812 -1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.231 16.199 -3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.691 15.058 -1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.327 16.626 0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.175 14.866 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.716 15.882 0.353 1.00 0.00 H new ATOM 434 N GLU A 32 -3.774 15.874 -1.928 1.00 0.00 N ATOM 435 CA GLU A 32 -2.407 15.956 -1.426 1.00 0.00 C ATOM 436 C GLU A 32 -2.325 16.890 -0.222 1.00 0.00 C ATOM 437 O GLU A 32 -2.415 18.110 -0.360 1.00 0.00 O ATOM 438 CB GLU A 32 -1.464 16.444 -2.528 1.00 0.00 C ATOM 439 CG GLU A 32 -1.540 15.620 -3.803 1.00 0.00 C ATOM 440 CD GLU A 32 -0.718 16.213 -4.931 1.00 0.00 C ATOM 441 OE1 GLU A 32 0.488 16.459 -4.719 1.00 0.00 O ATOM 442 OE2 GLU A 32 -1.280 16.431 -6.024 1.00 0.00 O ATOM 0 H GLU A 32 -4.047 16.645 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.102 14.958 -1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.699 17.482 -2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.441 16.425 -2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.192 14.608 -3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.580 15.541 -4.119 1.00 0.00 H new ATOM 449 N LEU A 33 -2.154 16.307 0.960 1.00 0.00 N ATOM 450 CA LEU A 33 -2.060 17.085 2.190 1.00 0.00 C ATOM 451 C LEU A 33 -0.638 17.594 2.405 1.00 0.00 C ATOM 452 O LEU A 33 -0.401 18.800 2.459 1.00 0.00 O ATOM 453 CB LEU A 33 -2.498 16.239 3.387 1.00 0.00 C ATOM 454 CG LEU A 33 -3.768 15.410 3.194 1.00 0.00 C ATOM 455 CD1 LEU A 33 -4.060 14.584 4.437 1.00 0.00 C ATOM 456 CD2 LEU A 33 -4.948 16.311 2.861 1.00 0.00 C ATOM 0 H LEU A 33 -2.078 15.298 1.092 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.724 17.945 2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.683 15.563 3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.647 16.901 4.240 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.610 14.728 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.967 14.001 4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.225 13.911 4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.197 15.248 5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.843 15.704 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.107 17.018 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.740 16.858 1.942 1.00 0.00 H new ATOM 468 N GLY A 34 0.305 16.665 2.526 1.00 0.00 N ATOM 469 CA GLY A 34 1.692 17.039 2.732 1.00 0.00 C ATOM 470 C GLY A 34 2.649 16.187 1.922 1.00 0.00 C ATOM 471 O GLY A 34 2.394 15.005 1.690 1.00 0.00 O ATOM 0 H GLY A 34 0.133 15.660 2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.826 18.087 2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.936 16.948 3.790 1.00 0.00 H new ATOM 475 N SER A 35 3.753 16.787 1.489 1.00 0.00 N ATOM 476 CA SER A 35 4.749 16.077 0.695 1.00 0.00 C ATOM 477 C SER A 35 5.804 15.439 1.593 1.00 0.00 C ATOM 478 O SER A 35 6.129 15.962 2.658 1.00 0.00 O ATOM 479 CB SER A 35 5.416 17.030 -0.297 1.00 0.00 C ATOM 480 OG SER A 35 6.130 18.052 0.378 1.00 0.00 O ATOM 0 H SER A 35 3.981 17.764 1.675 1.00 0.00 H new ATOM 0 HA SER A 35 4.241 15.287 0.142 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.096 16.472 -0.941 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.659 17.476 -0.942 1.00 0.00 H new ATOM 0 HG SER A 35 6.549 18.647 -0.279 1.00 0.00 H new ATOM 486 N GLY A 36 6.337 14.302 1.154 1.00 0.00 N ATOM 487 CA GLY A 36 7.351 13.610 1.928 1.00 0.00 C ATOM 488 C GLY A 36 8.152 12.632 1.092 1.00 0.00 C ATOM 489 O GLY A 36 7.798 12.347 -0.052 1.00 0.00 O ATOM 0 H GLY A 36 6.084 13.848 0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.026 14.341 2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.874 13.075 2.750 1.00 0.00 H new ATOM 493 N VAL A 37 9.236 12.117 1.664 1.00 0.00 N ATOM 494 CA VAL A 37 10.090 11.165 0.964 1.00 0.00 C ATOM 495 C VAL A 37 10.304 9.904 1.794 1.00 0.00 C ATOM 496 O VAL A 37 10.802 9.966 2.918 1.00 0.00 O ATOM 497 CB VAL A 37 11.460 11.783 0.626 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.340 10.771 -0.091 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.285 13.040 -0.213 1.00 0.00 C ATOM 0 H VAL A 37 9.543 12.343 2.610 1.00 0.00 H new ATOM 0 HA VAL A 37 9.579 10.904 0.037 1.00 0.00 H new ATOM 0 HB VAL A 37 11.953 12.062 1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.303 11.226 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.493 9.903 0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.856 10.458 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.263 13.463 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.771 12.789 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.695 13.769 0.343 1.00 0.00 H new ATOM 509 N MET A 38 9.926 8.761 1.232 1.00 0.00 N ATOM 510 CA MET A 38 10.078 7.484 1.920 1.00 0.00 C ATOM 511 C MET A 38 11.397 6.818 1.543 1.00 0.00 C ATOM 512 O MET A 38 11.710 6.664 0.363 1.00 0.00 O ATOM 513 CB MET A 38 8.910 6.556 1.583 1.00 0.00 C ATOM 514 CG MET A 38 8.876 5.291 2.425 1.00 0.00 C ATOM 515 SD MET A 38 7.964 5.506 3.966 1.00 0.00 S ATOM 516 CE MET A 38 6.293 5.686 3.348 1.00 0.00 C ATOM 0 H MET A 38 9.512 8.693 0.302 1.00 0.00 H new ATOM 0 HA MET A 38 10.081 7.676 2.993 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.975 7.099 1.719 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.968 6.280 0.530 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.421 4.487 1.847 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.897 4.982 2.651 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.628 5.951 4.170 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.267 6.471 2.593 1.00 0.00 H new ATOM 0 HE3 MET A 38 5.966 4.746 2.905 1.00 0.00 H new ATOM 526 N GLU A 39 12.167 6.425 2.554 1.00 0.00 N ATOM 527 CA GLU A 39 13.452 5.776 2.327 1.00 0.00 C ATOM 528 C GLU A 39 13.396 4.303 2.721 1.00 0.00 C ATOM 529 O GLU A 39 12.898 3.954 3.793 1.00 0.00 O ATOM 530 CB GLU A 39 14.554 6.485 3.117 1.00 0.00 C ATOM 531 CG GLU A 39 15.953 6.205 2.597 1.00 0.00 C ATOM 532 CD GLU A 39 17.022 6.966 3.358 1.00 0.00 C ATOM 533 OE1 GLU A 39 16.786 8.147 3.689 1.00 0.00 O ATOM 534 OE2 GLU A 39 18.093 6.381 3.622 1.00 0.00 O ATOM 0 H GLU A 39 11.923 6.545 3.537 1.00 0.00 H new ATOM 0 HA GLU A 39 13.679 5.841 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.374 7.560 3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.496 6.178 4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.155 5.136 2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.004 6.472 1.541 1.00 0.00 H new ATOM 541 N LEU A 40 13.909 3.442 1.849 1.00 0.00 N ATOM 542 CA LEU A 40 13.917 2.006 2.105 1.00 0.00 C ATOM 543 C LEU A 40 15.302 1.539 2.542 1.00 0.00 C ATOM 544 O LEU A 40 16.188 1.328 1.714 1.00 0.00 O ATOM 545 CB LEU A 40 13.480 1.243 0.853 1.00 0.00 C ATOM 546 CG LEU A 40 11.978 0.998 0.707 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.271 2.267 0.257 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.715 -0.137 -0.273 1.00 0.00 C ATOM 0 H LEU A 40 14.325 3.713 0.958 1.00 0.00 H new ATOM 0 HA LEU A 40 13.213 1.801 2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.825 1.793 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.988 0.279 0.844 1.00 0.00 H new ATOM 0 HG LEU A 40 11.580 0.711 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.203 2.073 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.431 3.053 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.672 2.585 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.641 -0.297 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.128 0.121 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.188 -1.049 0.091 1.00 0.00 H new ATOM 560 N THR A 41 15.480 1.376 3.849 1.00 0.00 N ATOM 561 CA THR A 41 16.756 0.932 4.397 1.00 0.00 C ATOM 562 C THR A 41 16.631 -0.446 5.035 1.00 0.00 C ATOM 563 O THR A 41 15.658 -0.730 5.734 1.00 0.00 O ATOM 564 CB THR A 41 17.293 1.924 5.445 1.00 0.00 C ATOM 565 OG1 THR A 41 16.404 1.980 6.567 1.00 0.00 O ATOM 566 CG2 THR A 41 17.448 3.314 4.846 1.00 0.00 C ATOM 0 H THR A 41 14.757 1.545 4.548 1.00 0.00 H new ATOM 0 HA THR A 41 17.457 0.881 3.564 1.00 0.00 H new ATOM 0 HB THR A 41 18.272 1.576 5.774 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.477 1.974 6.250 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.829 3.997 5.605 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.147 3.274 4.011 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.480 3.668 4.492 1.00 0.00 H new ATOM 574 N GLN A 42 17.621 -1.299 4.792 1.00 0.00 N ATOM 575 CA GLN A 42 17.620 -2.648 5.344 1.00 0.00 C ATOM 576 C GLN A 42 17.104 -2.648 6.779 1.00 0.00 C ATOM 577 O GLN A 42 16.591 -3.657 7.265 1.00 0.00 O ATOM 578 CB GLN A 42 19.029 -3.242 5.296 1.00 0.00 C ATOM 579 CG GLN A 42 19.430 -3.744 3.918 1.00 0.00 C ATOM 580 CD GLN A 42 20.530 -4.787 3.975 1.00 0.00 C ATOM 581 OE1 GLN A 42 21.598 -4.550 4.539 1.00 0.00 O ATOM 582 NE2 GLN A 42 20.273 -5.950 3.388 1.00 0.00 N ATOM 0 H GLN A 42 18.434 -1.079 4.216 1.00 0.00 H new ATOM 0 HA GLN A 42 16.954 -3.262 4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.744 -2.486 5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 42 19.091 -4.066 6.006 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.557 -4.168 3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.764 -2.902 3.311 1.00 0.00 H new ATOM 0 HE21 GLN A 42 19.374 -6.103 2.932 1.00 0.00 H new ATOM 0 HE22 GLN A 42 20.975 -6.690 3.393 1.00 0.00 H new ATOM 591 N SER A 43 17.244 -1.511 7.453 1.00 0.00 N ATOM 592 CA SER A 43 16.796 -1.382 8.835 1.00 0.00 C ATOM 593 C SER A 43 15.274 -1.302 8.907 1.00 0.00 C ATOM 594 O SER A 43 14.613 -2.246 9.340 1.00 0.00 O ATOM 595 CB SER A 43 17.414 -0.140 9.480 1.00 0.00 C ATOM 596 OG SER A 43 18.751 -0.384 9.878 1.00 0.00 O ATOM 0 H SER A 43 17.664 -0.666 7.065 1.00 0.00 H new ATOM 0 HA SER A 43 17.123 -2.267 9.381 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.387 0.691 8.775 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.822 0.157 10.346 1.00 0.00 H new ATOM 0 HG SER A 43 19.124 0.425 10.286 1.00 0.00 H new ATOM 602 N GLU A 44 14.726 -0.169 8.479 1.00 0.00 N ATOM 603 CA GLU A 44 13.282 0.034 8.496 1.00 0.00 C ATOM 604 C GLU A 44 12.882 1.172 7.562 1.00 0.00 C ATOM 605 O GLU A 44 13.722 1.741 6.863 1.00 0.00 O ATOM 606 CB GLU A 44 12.804 0.335 9.918 1.00 0.00 C ATOM 607 CG GLU A 44 13.188 1.721 10.409 1.00 0.00 C ATOM 608 CD GLU A 44 13.093 1.852 11.917 1.00 0.00 C ATOM 609 OE1 GLU A 44 13.117 0.810 12.606 1.00 0.00 O ATOM 610 OE2 GLU A 44 12.995 2.996 12.409 1.00 0.00 O ATOM 0 H GLU A 44 15.259 0.621 8.117 1.00 0.00 H new ATOM 0 HA GLU A 44 12.808 -0.883 8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.720 0.233 9.957 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.219 -0.410 10.597 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.206 1.946 10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.538 2.461 9.942 1.00 0.00 H new ATOM 617 N LEU A 45 11.594 1.499 7.555 1.00 0.00 N ATOM 618 CA LEU A 45 11.081 2.569 6.706 1.00 0.00 C ATOM 619 C LEU A 45 11.075 3.900 7.452 1.00 0.00 C ATOM 620 O LEU A 45 10.640 3.977 8.601 1.00 0.00 O ATOM 621 CB LEU A 45 9.668 2.233 6.227 1.00 0.00 C ATOM 622 CG LEU A 45 9.572 1.459 4.912 1.00 0.00 C ATOM 623 CD1 LEU A 45 8.172 0.893 4.727 1.00 0.00 C ATOM 624 CD2 LEU A 45 9.947 2.352 3.738 1.00 0.00 C ATOM 0 H LEU A 45 10.886 1.039 8.127 1.00 0.00 H new ATOM 0 HA LEU A 45 11.739 2.661 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.171 1.653 7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.111 3.164 6.119 1.00 0.00 H new ATOM 0 HG LEU A 45 10.276 0.628 4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.122 0.345 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.940 0.219 5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.449 1.709 4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.873 1.784 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.268 3.204 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.969 2.709 3.864 1.00 0.00 H new ATOM 636 N VAL A 46 11.557 4.946 6.789 1.00 0.00 N ATOM 637 CA VAL A 46 11.604 6.275 7.387 1.00 0.00 C ATOM 638 C VAL A 46 11.076 7.331 6.422 1.00 0.00 C ATOM 639 O VAL A 46 11.257 7.224 5.208 1.00 0.00 O ATOM 640 CB VAL A 46 13.037 6.651 7.809 1.00 0.00 C ATOM 641 CG1 VAL A 46 13.094 8.096 8.278 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.536 5.709 8.894 1.00 0.00 C ATOM 0 H VAL A 46 11.921 4.899 5.837 1.00 0.00 H new ATOM 0 HA VAL A 46 10.969 6.246 8.272 1.00 0.00 H new ATOM 0 HB VAL A 46 13.691 6.550 6.943 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.114 8.343 8.572 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.780 8.754 7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.429 8.228 9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.550 5.989 9.181 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.882 5.776 9.763 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.535 4.686 8.517 1.00 0.00 H new ATOM 652 N LEU A 47 10.424 8.351 6.969 1.00 0.00 N ATOM 653 CA LEU A 47 9.870 9.428 6.157 1.00 0.00 C ATOM 654 C LEU A 47 10.656 10.720 6.356 1.00 0.00 C ATOM 655 O LEU A 47 11.400 10.863 7.327 1.00 0.00 O ATOM 656 CB LEU A 47 8.398 9.654 6.509 1.00 0.00 C ATOM 657 CG LEU A 47 7.389 8.772 5.774 1.00 0.00 C ATOM 658 CD1 LEU A 47 6.018 8.872 6.425 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.312 9.161 4.304 1.00 0.00 C ATOM 0 H LEU A 47 10.266 8.455 7.971 1.00 0.00 H new ATOM 0 HA LEU A 47 9.946 9.136 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.273 9.498 7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.153 10.697 6.308 1.00 0.00 H new ATOM 0 HG LEU A 47 7.725 7.737 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.313 8.237 5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.083 8.545 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.674 9.906 6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.589 8.523 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.000 10.202 4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.292 9.037 3.843 1.00 0.00 H new ATOM 671 N HIS A 48 10.485 11.660 5.432 1.00 0.00 N ATOM 672 CA HIS A 48 11.176 12.942 5.507 1.00 0.00 C ATOM 673 C HIS A 48 10.211 14.096 5.255 1.00 0.00 C ATOM 674 O HIS A 48 9.754 14.302 4.130 1.00 0.00 O ATOM 675 CB HIS A 48 12.321 12.988 4.495 1.00 0.00 C ATOM 676 CG HIS A 48 13.387 11.966 4.748 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.171 11.962 5.882 1.00 0.00 N ATOM 678 CD2 HIS A 48 13.795 10.910 4.006 1.00 0.00 C ATOM 679 CE1 HIS A 48 15.017 10.949 5.826 1.00 0.00 C ATOM 680 NE2 HIS A 48 14.808 10.294 4.697 1.00 0.00 N ATOM 0 H HIS A 48 9.873 11.558 4.622 1.00 0.00 H new ATOM 0 HA HIS A 48 11.585 13.048 6.512 1.00 0.00 H new ATOM 0 HB2 HIS A 48 11.916 12.838 3.494 1.00 0.00 H new ATOM 0 HB3 HIS A 48 12.770 13.981 4.512 1.00 0.00 H new ATOM 0 HD2 HIS A 48 13.397 10.608 3.048 1.00 0.00 H new ATOM 0 HE1 HIS A 48 15.754 10.699 6.575 1.00 0.00 H new ATOM 0 HE2 HIS A 48 15.317 9.465 4.389 1.00 0.00 H new ATOM 689 N LEU A 49 9.904 14.844 6.308 1.00 0.00 N ATOM 690 CA LEU A 49 8.991 15.978 6.201 1.00 0.00 C ATOM 691 C LEU A 49 9.339 17.055 7.224 1.00 0.00 C ATOM 692 O LEU A 49 9.992 16.782 8.231 1.00 0.00 O ATOM 693 CB LEU A 49 7.547 15.516 6.401 1.00 0.00 C ATOM 694 CG LEU A 49 7.324 14.457 7.481 1.00 0.00 C ATOM 695 CD1 LEU A 49 5.915 14.558 8.044 1.00 0.00 C ATOM 696 CD2 LEU A 49 7.579 13.064 6.923 1.00 0.00 C ATOM 0 H LEU A 49 10.273 14.687 7.246 1.00 0.00 H new ATOM 0 HA LEU A 49 9.095 16.404 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.938 16.387 6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.178 15.123 5.454 1.00 0.00 H new ATOM 0 HG LEU A 49 8.031 14.637 8.291 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.774 13.797 8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.768 15.545 8.481 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.191 14.404 7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.416 12.323 7.706 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.897 12.873 6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.608 12.997 6.569 1.00 0.00 H new ATOM 789 N ALA A 54 10.501 13.391 12.079 1.00 0.00 N ATOM 790 CA ALA A 54 10.686 12.229 11.218 1.00 0.00 C ATOM 791 C ALA A 54 9.980 11.005 11.790 1.00 0.00 C ATOM 792 O ALA A 54 10.071 10.724 12.985 1.00 0.00 O ATOM 793 CB ALA A 54 12.168 11.944 11.027 1.00 0.00 C ATOM 0 HA ALA A 54 10.242 12.452 10.248 1.00 0.00 H new ATOM 0 HB1 ALA A 54 12.291 11.074 10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.648 12.808 10.567 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.628 11.746 11.995 1.00 0.00 H new ATOM 799 N VAL A 55 9.275 10.278 10.928 1.00 0.00 N ATOM 800 CA VAL A 55 8.552 9.083 11.348 1.00 0.00 C ATOM 801 C VAL A 55 9.125 7.834 10.687 1.00 0.00 C ATOM 802 O VAL A 55 9.585 7.879 9.545 1.00 0.00 O ATOM 803 CB VAL A 55 7.053 9.186 11.012 1.00 0.00 C ATOM 804 CG1 VAL A 55 6.265 8.116 11.752 1.00 0.00 C ATOM 805 CG2 VAL A 55 6.527 10.574 11.347 1.00 0.00 C ATOM 0 H VAL A 55 9.189 10.496 9.935 1.00 0.00 H new ATOM 0 HA VAL A 55 8.669 9.006 12.429 1.00 0.00 H new ATOM 0 HB VAL A 55 6.926 9.022 9.942 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.208 8.205 11.502 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.626 7.130 11.459 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.396 8.245 12.826 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.466 10.630 11.103 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.666 10.769 12.410 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.072 11.319 10.767 1.00 0.00 H new ATOM 815 N ARG A 56 9.094 6.720 11.411 1.00 0.00 N ATOM 816 CA ARG A 56 9.611 5.459 10.895 1.00 0.00 C ATOM 817 C ARG A 56 8.634 4.319 11.168 1.00 0.00 C ATOM 818 O ARG A 56 7.614 4.508 11.831 1.00 0.00 O ATOM 819 CB ARG A 56 10.969 5.143 11.525 1.00 0.00 C ATOM 820 CG ARG A 56 11.878 6.355 11.651 1.00 0.00 C ATOM 821 CD ARG A 56 11.625 7.108 12.947 1.00 0.00 C ATOM 822 NE ARG A 56 12.361 8.369 13.000 1.00 0.00 N ATOM 823 CZ ARG A 56 12.333 9.194 14.041 1.00 0.00 C ATOM 824 NH1 ARG A 56 11.610 8.891 15.111 1.00 0.00 N ATOM 825 NH2 ARG A 56 13.029 10.323 14.013 1.00 0.00 N ATOM 0 H ARG A 56 8.716 6.665 12.357 1.00 0.00 H new ATOM 0 HA ARG A 56 9.734 5.560 9.817 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.810 4.714 12.514 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.471 4.384 10.925 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.919 6.036 11.612 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.717 7.022 10.804 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.558 7.306 13.049 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.915 6.483 13.792 1.00 0.00 H new ATOM 0 HE ARG A 56 12.928 8.630 12.193 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.074 8.023 15.136 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.590 9.526 15.909 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.586 10.558 13.192 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.007 10.956 14.813 1.00 0.00 H new ATOM 839 N TRP A 57 8.953 3.137 10.652 1.00 0.00 N ATOM 840 CA TRP A 57 8.103 1.967 10.840 1.00 0.00 C ATOM 841 C TRP A 57 8.912 0.681 10.711 1.00 0.00 C ATOM 842 O TRP A 57 9.530 0.409 9.682 1.00 0.00 O ATOM 843 CB TRP A 57 6.962 1.971 9.821 1.00 0.00 C ATOM 844 CG TRP A 57 5.901 2.986 10.122 1.00 0.00 C ATOM 845 CD1 TRP A 57 4.829 2.829 10.954 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.809 4.312 9.591 1.00 0.00 C ATOM 847 NE1 TRP A 57 4.077 3.978 10.972 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.657 4.904 10.146 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.589 5.059 8.704 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.268 6.205 9.839 1.00 0.00 C ATOM 851 CZ3 TRP A 57 6.201 6.350 8.401 1.00 0.00 C ATOM 852 CH2 TRP A 57 5.050 6.913 8.967 1.00 0.00 C ATOM 0 H TRP A 57 9.793 2.964 10.101 1.00 0.00 H new ATOM 0 HA TRP A 57 7.683 2.011 11.845 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.371 2.166 8.829 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.509 0.980 9.790 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.606 1.933 11.515 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.224 4.119 11.513 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.479 4.635 8.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.380 6.640 10.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.796 6.935 7.716 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.774 7.925 8.710 1.00 0.00 H new ATOM 863 N PRO A 58 8.909 -0.131 11.779 1.00 0.00 N ATOM 864 CA PRO A 58 9.637 -1.403 11.808 1.00 0.00 C ATOM 865 C PRO A 58 9.015 -2.449 10.889 1.00 0.00 C ATOM 866 O PRO A 58 7.844 -2.798 11.033 1.00 0.00 O ATOM 867 CB PRO A 58 9.525 -1.842 13.270 1.00 0.00 C ATOM 868 CG PRO A 58 8.287 -1.181 13.771 1.00 0.00 C ATOM 869 CD PRO A 58 8.193 0.130 13.039 1.00 0.00 C ATOM 0 HA PRO A 58 10.664 -1.293 11.459 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.456 -2.927 13.353 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.399 -1.533 13.844 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.410 -1.799 13.579 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.337 -1.024 14.848 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.157 0.417 12.860 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.655 0.940 13.604 1.00 0.00 H new ATOM 877 N TYR A 59 9.807 -2.945 9.945 1.00 0.00 N ATOM 878 CA TYR A 59 9.333 -3.950 9.000 1.00 0.00 C ATOM 879 C TYR A 59 8.480 -5.000 9.705 1.00 0.00 C ATOM 880 O TYR A 59 7.643 -5.656 9.083 1.00 0.00 O ATOM 881 CB TYR A 59 10.517 -4.622 8.303 1.00 0.00 C ATOM 882 CG TYR A 59 11.223 -3.727 7.310 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.503 -2.937 6.422 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.610 -3.671 7.260 1.00 0.00 C ATOM 885 CE1 TYR A 59 11.144 -2.118 5.513 1.00 0.00 C ATOM 886 CE2 TYR A 59 13.260 -2.854 6.355 1.00 0.00 C ATOM 887 CZ TYR A 59 12.523 -2.080 5.483 1.00 0.00 C ATOM 888 OH TYR A 59 13.165 -1.265 4.580 1.00 0.00 O ATOM 0 H TYR A 59 10.780 -2.668 9.814 1.00 0.00 H new ATOM 0 HA TYR A 59 8.717 -3.449 8.253 1.00 0.00 H new ATOM 0 HB2 TYR A 59 11.233 -4.950 9.057 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.165 -5.516 7.788 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.424 -2.964 6.443 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.190 -4.277 7.940 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.569 -1.511 4.830 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.339 -2.822 6.330 1.00 0.00 H new ATOM 0 HH TYR A 59 14.054 -1.034 4.922 1.00 0.00 H new ATOM 898 N LEU A 60 8.697 -5.153 11.006 1.00 0.00 N ATOM 899 CA LEU A 60 7.948 -6.123 11.798 1.00 0.00 C ATOM 900 C LEU A 60 6.486 -5.710 11.924 1.00 0.00 C ATOM 901 O LEU A 60 5.597 -6.356 11.368 1.00 0.00 O ATOM 902 CB LEU A 60 8.572 -6.267 13.187 1.00 0.00 C ATOM 903 CG LEU A 60 9.670 -7.321 13.325 1.00 0.00 C ATOM 904 CD1 LEU A 60 9.078 -8.720 13.267 1.00 0.00 C ATOM 905 CD2 LEU A 60 10.722 -7.140 12.240 1.00 0.00 C ATOM 0 H LEU A 60 9.385 -4.618 11.535 1.00 0.00 H new ATOM 0 HA LEU A 60 7.991 -7.084 11.286 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.985 -5.301 13.479 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.779 -6.503 13.897 1.00 0.00 H new ATOM 0 HG LEU A 60 10.150 -7.192 14.295 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.875 -9.457 13.367 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.363 -8.846 14.080 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.571 -8.861 12.313 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.496 -7.899 12.354 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.255 -7.241 11.260 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.169 -6.150 12.328 1.00 0.00 H new ATOM 917 N CYS A 61 6.243 -4.628 12.656 1.00 0.00 N ATOM 918 CA CYS A 61 4.888 -4.127 12.855 1.00 0.00 C ATOM 919 C CYS A 61 4.105 -4.145 11.546 1.00 0.00 C ATOM 920 O CYS A 61 2.897 -4.387 11.536 1.00 0.00 O ATOM 921 CB CYS A 61 4.925 -2.707 13.421 1.00 0.00 C ATOM 922 SG CYS A 61 5.523 -2.607 15.124 1.00 0.00 S ATOM 0 H CYS A 61 6.967 -4.081 13.122 1.00 0.00 H new ATOM 0 HA CYS A 61 4.386 -4.781 13.568 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.562 -2.091 12.787 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.922 -2.282 13.374 1.00 0.00 H new ATOM 0 HG CYS A 61 5.520 -1.367 15.513 1.00 0.00 H new ATOM 928 N LEU A 62 4.799 -3.887 10.443 1.00 0.00 N ATOM 929 CA LEU A 62 4.169 -3.872 9.128 1.00 0.00 C ATOM 930 C LEU A 62 3.387 -5.159 8.884 1.00 0.00 C ATOM 931 O LEU A 62 3.960 -6.185 8.517 1.00 0.00 O ATOM 932 CB LEU A 62 5.225 -3.689 8.037 1.00 0.00 C ATOM 933 CG LEU A 62 5.667 -2.250 7.765 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.732 -2.215 6.680 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.475 -1.390 7.373 1.00 0.00 C ATOM 0 H LEU A 62 5.799 -3.685 10.433 1.00 0.00 H new ATOM 0 HA LEU A 62 3.473 -3.034 9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.104 -4.273 8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.837 -4.110 7.110 1.00 0.00 H new ATOM 0 HG LEU A 62 6.097 -1.843 8.681 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.034 -1.183 6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.597 -2.796 7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.329 -2.641 5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.809 -0.370 7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.015 -1.795 6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.746 -1.388 8.183 1.00 0.00 H new ATOM 947 N ARG A 63 2.075 -5.096 9.088 1.00 0.00 N ATOM 948 CA ARG A 63 1.215 -6.256 8.889 1.00 0.00 C ATOM 949 C ARG A 63 1.049 -6.562 7.404 1.00 0.00 C ATOM 950 O ARG A 63 1.463 -7.619 6.927 1.00 0.00 O ATOM 951 CB ARG A 63 -0.155 -6.017 9.528 1.00 0.00 C ATOM 952 CG ARG A 63 -0.833 -7.289 10.008 1.00 0.00 C ATOM 953 CD ARG A 63 -1.328 -8.131 8.843 1.00 0.00 C ATOM 954 NE ARG A 63 -2.049 -9.319 9.293 1.00 0.00 N ATOM 955 CZ ARG A 63 -3.269 -9.283 9.819 1.00 0.00 C ATOM 956 NH1 ARG A 63 -3.899 -8.125 9.960 1.00 0.00 N ATOM 957 NH2 ARG A 63 -3.859 -10.406 10.206 1.00 0.00 N ATOM 0 H ARG A 63 1.585 -4.254 9.391 1.00 0.00 H new ATOM 0 HA ARG A 63 1.688 -7.114 9.368 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.039 -5.336 10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.802 -5.521 8.805 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.133 -7.871 10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.672 -7.033 10.656 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.981 -7.528 8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.480 -8.433 8.228 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.591 -10.226 9.198 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.447 -7.259 9.665 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.835 -8.100 10.364 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.376 -11.298 10.100 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.795 -10.377 10.610 1.00 0.00 H new ATOM 971 N ARG A 64 0.441 -5.630 6.677 1.00 0.00 N ATOM 972 CA ARG A 64 0.219 -5.800 5.246 1.00 0.00 C ATOM 973 C ARG A 64 0.789 -4.622 4.463 1.00 0.00 C ATOM 974 O ARG A 64 0.789 -3.487 4.942 1.00 0.00 O ATOM 975 CB ARG A 64 -1.276 -5.945 4.954 1.00 0.00 C ATOM 976 CG ARG A 64 -1.980 -4.620 4.710 1.00 0.00 C ATOM 977 CD ARG A 64 -3.464 -4.819 4.444 1.00 0.00 C ATOM 978 NE ARG A 64 -4.134 -5.493 5.553 1.00 0.00 N ATOM 979 CZ ARG A 64 -5.373 -5.966 5.484 1.00 0.00 C ATOM 980 NH1 ARG A 64 -6.074 -5.839 4.366 1.00 0.00 N ATOM 981 NH2 ARG A 64 -5.914 -6.567 6.536 1.00 0.00 N ATOM 0 H ARG A 64 0.093 -4.749 7.056 1.00 0.00 H new ATOM 0 HA ARG A 64 0.734 -6.707 4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.407 -6.583 4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.754 -6.452 5.792 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.848 -3.972 5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.521 -4.114 3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.934 -3.851 4.271 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.594 -5.404 3.533 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.622 -5.607 6.428 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.662 -5.377 3.555 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.025 -6.203 4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.378 -6.666 7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.866 -6.930 6.482 1.00 0.00 H new ATOM 995 N TYR A 65 1.274 -4.898 3.258 1.00 0.00 N ATOM 996 CA TYR A 65 1.850 -3.862 2.410 1.00 0.00 C ATOM 997 C TYR A 65 1.535 -4.123 0.940 1.00 0.00 C ATOM 998 O TYR A 65 2.042 -5.071 0.343 1.00 0.00 O ATOM 999 CB TYR A 65 3.365 -3.790 2.613 1.00 0.00 C ATOM 1000 CG TYR A 65 4.078 -5.089 2.311 1.00 0.00 C ATOM 1001 CD1 TYR A 65 4.170 -6.092 3.269 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.660 -5.313 1.070 1.00 0.00 C ATOM 1003 CE1 TYR A 65 4.821 -7.280 2.999 1.00 0.00 C ATOM 1004 CE2 TYR A 65 5.312 -6.499 0.790 1.00 0.00 C ATOM 1005 CZ TYR A 65 5.390 -7.479 1.758 1.00 0.00 C ATOM 1006 OH TYR A 65 6.040 -8.660 1.483 1.00 0.00 O ATOM 0 H TYR A 65 1.280 -5.831 2.846 1.00 0.00 H new ATOM 0 HA TYR A 65 1.406 -2.908 2.694 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.772 -3.005 1.975 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.572 -3.503 3.644 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.725 -5.940 4.241 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.602 -4.547 0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.884 -8.049 3.755 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.758 -6.658 -0.181 1.00 0.00 H new ATOM 0 HH TYR A 65 5.636 -9.385 2.004 1.00 0.00 H new ATOM 1016 N GLY A 66 0.692 -3.272 0.362 1.00 0.00 N ATOM 1017 CA GLY A 66 0.322 -3.426 -1.033 1.00 0.00 C ATOM 1018 C GLY A 66 0.806 -2.274 -1.891 1.00 0.00 C ATOM 1019 O GLY A 66 1.730 -1.554 -1.512 1.00 0.00 O ATOM 0 H GLY A 66 0.259 -2.479 0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.737 -4.359 -1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.762 -3.503 -1.112 1.00 0.00 H new ATOM 1023 N TYR A 67 0.183 -2.101 -3.051 1.00 0.00 N ATOM 1024 CA TYR A 67 0.558 -1.031 -3.968 1.00 0.00 C ATOM 1025 C TYR A 67 -0.528 -0.804 -5.015 1.00 0.00 C ATOM 1026 O TYR A 67 -1.426 -1.629 -5.182 1.00 0.00 O ATOM 1027 CB TYR A 67 1.884 -1.362 -4.656 1.00 0.00 C ATOM 1028 CG TYR A 67 1.720 -2.116 -5.956 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.417 -3.472 -5.963 1.00 0.00 C ATOM 1030 CD2 TYR A 67 1.867 -1.472 -7.178 1.00 0.00 C ATOM 1031 CE1 TYR A 67 1.267 -4.164 -7.148 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.718 -2.156 -8.369 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.418 -3.502 -8.349 1.00 0.00 C ATOM 1034 OH TYR A 67 1.268 -4.188 -9.532 1.00 0.00 O ATOM 0 H TYR A 67 -0.584 -2.688 -3.379 1.00 0.00 H new ATOM 0 HA TYR A 67 0.675 -0.115 -3.388 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.425 -0.435 -4.849 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.498 -1.954 -3.977 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.297 -3.994 -5.025 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.102 -0.418 -7.197 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.033 -5.218 -7.135 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.836 -1.640 -9.310 1.00 0.00 H new ATOM 0 HH TYR A 67 1.405 -3.576 -10.285 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.438 0.319 -5.718 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.411 0.655 -6.751 1.00 0.00 C ATOM 1046 C ASP A 68 -0.996 1.920 -7.497 1.00 0.00 C ATOM 1047 O ASP A 68 -0.179 2.700 -7.010 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.797 0.844 -6.133 1.00 0.00 C ATOM 1049 CG ASP A 68 -3.607 -0.438 -6.125 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -3.219 -1.389 -6.834 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.627 -0.489 -5.407 1.00 0.00 O ATOM 0 H ASP A 68 0.299 1.013 -5.592 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.448 -0.169 -7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.689 1.209 -5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.338 1.609 -6.689 1.00 0.00 H new ATOM 1056 N SER A 69 -1.565 2.114 -8.682 1.00 0.00 N ATOM 1057 CA SER A 69 -1.251 3.281 -9.499 1.00 0.00 C ATOM 1058 C SER A 69 -1.145 4.535 -8.636 1.00 0.00 C ATOM 1059 O SER A 69 -2.044 4.841 -7.853 1.00 0.00 O ATOM 1060 CB SER A 69 -2.319 3.479 -10.576 1.00 0.00 C ATOM 1061 OG SER A 69 -2.038 4.618 -11.371 1.00 0.00 O ATOM 0 H SER A 69 -2.246 1.479 -9.098 1.00 0.00 H new ATOM 0 HA SER A 69 -0.288 3.108 -9.980 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.370 2.593 -11.209 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.296 3.592 -10.107 1.00 0.00 H new ATOM 0 HG SER A 69 -2.336 5.426 -10.902 1.00 0.00 H new ATOM 1067 N ASN A 70 -0.039 5.257 -8.786 1.00 0.00 N ATOM 1068 CA ASN A 70 0.186 6.477 -8.020 1.00 0.00 C ATOM 1069 C ASN A 70 -0.456 6.380 -6.640 1.00 0.00 C ATOM 1070 O ASN A 70 -0.981 7.364 -6.117 1.00 0.00 O ATOM 1071 CB ASN A 70 -0.374 7.686 -8.772 1.00 0.00 C ATOM 1072 CG ASN A 70 -1.830 7.504 -9.156 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -2.141 6.921 -10.195 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -2.730 8.003 -8.317 1.00 0.00 N ATOM 0 H ASN A 70 0.715 5.018 -9.431 1.00 0.00 H new ATOM 0 HA ASN A 70 1.261 6.603 -7.892 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.273 8.576 -8.150 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.218 7.857 -9.671 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.725 7.911 -8.522 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.427 8.479 -7.467 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.409 5.189 -6.054 1.00 0.00 N ATOM 1082 CA LEU A 71 -0.986 4.962 -4.733 1.00 0.00 C ATOM 1083 C LEU A 71 -0.173 3.934 -3.953 1.00 0.00 C ATOM 1084 O LEU A 71 0.090 2.835 -4.442 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.436 4.492 -4.862 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.320 4.700 -3.632 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -2.975 3.690 -2.549 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -3.176 6.120 -3.105 1.00 0.00 C ATOM 0 H LEU A 71 0.023 4.365 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.964 5.905 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.892 5.012 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.432 3.430 -5.107 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.358 4.546 -3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.614 3.854 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.131 2.681 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.931 3.810 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.812 6.250 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.137 6.302 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.475 6.827 -3.879 1.00 0.00 H new ATOM 1100 N PHE A 72 0.221 4.297 -2.737 1.00 0.00 N ATOM 1101 CA PHE A 72 1.003 3.406 -1.889 1.00 0.00 C ATOM 1102 C PHE A 72 0.647 3.604 -0.418 1.00 0.00 C ATOM 1103 O PHE A 72 0.859 4.680 0.143 1.00 0.00 O ATOM 1104 CB PHE A 72 2.499 3.648 -2.101 1.00 0.00 C ATOM 1105 CG PHE A 72 3.374 2.794 -1.228 1.00 0.00 C ATOM 1106 CD1 PHE A 72 3.227 1.416 -1.214 1.00 0.00 C ATOM 1107 CD2 PHE A 72 4.343 3.369 -0.422 1.00 0.00 C ATOM 1108 CE1 PHE A 72 4.030 0.628 -0.411 1.00 0.00 C ATOM 1109 CE2 PHE A 72 5.149 2.586 0.383 1.00 0.00 C ATOM 1110 CZ PHE A 72 4.993 1.213 0.387 1.00 0.00 C ATOM 0 H PHE A 72 0.011 5.202 -2.317 1.00 0.00 H new ATOM 0 HA PHE A 72 0.766 2.379 -2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.745 3.458 -3.146 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.720 4.698 -1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.477 0.953 -1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.470 4.441 -0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.904 -0.445 -0.408 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.900 3.047 1.008 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.623 0.599 1.013 1.00 0.00 H new ATOM 1120 N SER A 73 0.106 2.560 0.200 1.00 0.00 N ATOM 1121 CA SER A 73 -0.283 2.619 1.604 1.00 0.00 C ATOM 1122 C SER A 73 0.251 1.412 2.368 1.00 0.00 C ATOM 1123 O SER A 73 0.736 0.450 1.771 1.00 0.00 O ATOM 1124 CB SER A 73 -1.807 2.684 1.730 1.00 0.00 C ATOM 1125 OG SER A 73 -2.206 2.678 3.090 1.00 0.00 O ATOM 0 H SER A 73 -0.073 1.662 -0.250 1.00 0.00 H new ATOM 0 HA SER A 73 0.150 3.521 2.038 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.177 3.586 1.243 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.255 1.836 1.212 1.00 0.00 H new ATOM 0 HG SER A 73 -2.670 1.839 3.291 1.00 0.00 H new ATOM 1131 N PHE A 74 0.158 1.469 3.692 1.00 0.00 N ATOM 1132 CA PHE A 74 0.633 0.381 4.540 1.00 0.00 C ATOM 1133 C PHE A 74 -0.005 0.452 5.924 1.00 0.00 C ATOM 1134 O PHE A 74 -0.165 1.533 6.490 1.00 0.00 O ATOM 1135 CB PHE A 74 2.157 0.432 4.665 1.00 0.00 C ATOM 1136 CG PHE A 74 2.679 1.774 5.093 1.00 0.00 C ATOM 1137 CD1 PHE A 74 2.563 2.189 6.410 1.00 0.00 C ATOM 1138 CD2 PHE A 74 3.286 2.619 4.179 1.00 0.00 C ATOM 1139 CE1 PHE A 74 3.042 3.423 6.807 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.768 3.854 4.570 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.645 4.257 5.886 1.00 0.00 C ATOM 0 H PHE A 74 -0.242 2.257 4.202 1.00 0.00 H new ATOM 0 HA PHE A 74 0.345 -0.562 4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.480 -0.321 5.384 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.601 0.167 3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.093 1.541 7.135 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.384 2.309 3.149 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.945 3.735 7.836 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.240 4.503 3.848 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.020 5.222 6.194 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.368 -0.708 6.462 1.00 0.00 N ATOM 1152 CA GLU A 75 -0.990 -0.778 7.779 1.00 0.00 C ATOM 1153 C GLU A 75 0.043 -1.114 8.851 1.00 0.00 C ATOM 1154 O GLU A 75 1.129 -1.609 8.549 1.00 0.00 O ATOM 1155 CB GLU A 75 -2.106 -1.824 7.786 1.00 0.00 C ATOM 1156 CG GLU A 75 -2.998 -1.755 9.014 1.00 0.00 C ATOM 1157 CD GLU A 75 -2.483 -2.609 10.157 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -1.829 -3.637 9.882 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -2.735 -2.249 11.326 1.00 0.00 O ATOM 0 H GLU A 75 -0.242 -1.612 6.006 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.417 0.200 8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.719 -1.694 6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.662 -2.817 7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.075 -0.719 9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.004 -2.080 8.747 1.00 0.00 H new ATOM 1166 N SER A 76 -0.304 -0.840 10.105 1.00 0.00 N ATOM 1167 CA SER A 76 0.594 -1.109 11.222 1.00 0.00 C ATOM 1168 C SER A 76 -0.193 -1.315 12.513 1.00 0.00 C ATOM 1169 O SER A 76 -1.305 -0.810 12.663 1.00 0.00 O ATOM 1170 CB SER A 76 1.586 0.043 11.395 1.00 0.00 C ATOM 1171 OG SER A 76 0.912 1.280 11.539 1.00 0.00 O ATOM 0 H SER A 76 -1.200 -0.432 10.372 1.00 0.00 H new ATOM 0 HA SER A 76 1.145 -2.024 11.002 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.210 -0.139 12.270 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.251 0.086 10.533 1.00 0.00 H new ATOM 0 HG SER A 76 1.061 1.631 12.442 1.00 0.00 H new ATOM 1177 N GLY A 77 0.394 -2.061 13.444 1.00 0.00 N ATOM 1178 CA GLY A 77 -0.265 -2.322 14.710 1.00 0.00 C ATOM 1179 C GLY A 77 -0.549 -1.052 15.488 1.00 0.00 C ATOM 1180 O GLY A 77 -0.949 -0.040 14.913 1.00 0.00 O ATOM 0 H GLY A 77 1.314 -2.489 13.344 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.201 -2.849 14.527 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.360 -2.981 15.312 1.00 0.00 H new ATOM 1184 N ARG A 78 -0.343 -1.106 16.800 1.00 0.00 N ATOM 1185 CA ARG A 78 -0.582 0.048 17.658 1.00 0.00 C ATOM 1186 C ARG A 78 0.676 0.414 18.441 1.00 0.00 C ATOM 1187 O ARG A 78 0.832 1.550 18.890 1.00 0.00 O ATOM 1188 CB ARG A 78 -1.732 -0.239 18.626 1.00 0.00 C ATOM 1189 CG ARG A 78 -1.585 -1.553 19.374 1.00 0.00 C ATOM 1190 CD ARG A 78 -2.937 -2.194 19.646 1.00 0.00 C ATOM 1191 NE ARG A 78 -2.821 -3.375 20.498 1.00 0.00 N ATOM 1192 CZ ARG A 78 -3.823 -3.857 21.225 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -5.008 -3.263 21.204 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -3.640 -4.936 21.975 1.00 0.00 N ATOM 0 H ARG A 78 -0.011 -1.936 17.291 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.852 0.891 17.023 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.799 0.575 19.348 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.669 -0.250 18.070 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.967 -2.237 18.792 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.067 -1.380 20.317 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.594 -1.466 20.122 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.403 -2.473 18.701 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.922 -3.855 20.537 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.152 -2.433 20.628 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.775 -3.636 21.763 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.730 -5.396 21.994 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.410 -5.306 22.533 1.00 0.00 H new ATOM 1208 N ARG A 79 1.570 -0.556 18.601 1.00 0.00 N ATOM 1209 CA ARG A 79 2.813 -0.337 19.331 1.00 0.00 C ATOM 1210 C ARG A 79 3.717 0.640 18.584 1.00 0.00 C ATOM 1211 O ARG A 79 4.687 1.153 19.142 1.00 0.00 O ATOM 1212 CB ARG A 79 3.545 -1.664 19.544 1.00 0.00 C ATOM 1213 CG ARG A 79 4.006 -2.319 18.253 1.00 0.00 C ATOM 1214 CD ARG A 79 4.964 -3.469 18.524 1.00 0.00 C ATOM 1215 NE ARG A 79 4.262 -4.682 18.932 1.00 0.00 N ATOM 1216 CZ ARG A 79 3.530 -5.421 18.105 1.00 0.00 C ATOM 1217 NH1 ARG A 79 3.405 -5.071 16.832 1.00 0.00 N ATOM 1218 NH2 ARG A 79 2.921 -6.512 18.552 1.00 0.00 N ATOM 0 H ARG A 79 1.457 -1.501 18.235 1.00 0.00 H new ATOM 0 HA ARG A 79 2.564 0.093 20.301 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.411 -1.493 20.184 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.887 -2.351 20.075 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.141 -2.687 17.701 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.495 -1.577 17.622 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.548 -3.673 17.627 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.668 -3.178 19.304 1.00 0.00 H new ATOM 0 HE ARG A 79 4.337 -4.979 19.905 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.871 -4.233 16.485 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.843 -5.640 16.199 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.015 -6.784 19.531 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.359 -7.079 17.917 1.00 0.00 H new ATOM 1232 N CYS A 80 3.391 0.892 17.321 1.00 0.00 N ATOM 1233 CA CYS A 80 4.174 1.806 16.498 1.00 0.00 C ATOM 1234 C CYS A 80 4.198 3.203 17.109 1.00 0.00 C ATOM 1235 O CYS A 80 3.545 3.459 18.120 1.00 0.00 O ATOM 1236 CB CYS A 80 3.602 1.866 15.081 1.00 0.00 C ATOM 1237 SG CYS A 80 1.810 2.098 15.018 1.00 0.00 S ATOM 0 H CYS A 80 2.590 0.476 16.845 1.00 0.00 H new ATOM 0 HA CYS A 80 5.196 1.431 16.454 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.082 2.682 14.541 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.857 0.944 14.558 1.00 0.00 H new ATOM 0 HG CYS A 80 1.223 0.938 14.992 1.00 0.00 H new ATOM 1243 N GLN A 81 4.957 4.102 16.489 1.00 0.00 N ATOM 1244 CA GLN A 81 5.068 5.472 16.975 1.00 0.00 C ATOM 1245 C GLN A 81 3.843 6.291 16.578 1.00 0.00 C ATOM 1246 O GLN A 81 3.289 7.032 17.390 1.00 0.00 O ATOM 1247 CB GLN A 81 6.335 6.129 16.425 1.00 0.00 C ATOM 1248 CG GLN A 81 6.223 7.638 16.276 1.00 0.00 C ATOM 1249 CD GLN A 81 7.567 8.306 16.068 1.00 0.00 C ATOM 1250 OE1 GLN A 81 8.548 7.974 16.735 1.00 0.00 O ATOM 1251 NE2 GLN A 81 7.621 9.253 15.139 1.00 0.00 N ATOM 0 H GLN A 81 5.503 3.906 15.650 1.00 0.00 H new ATOM 0 HA GLN A 81 5.126 5.442 18.063 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.170 5.899 17.087 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.568 5.693 15.454 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.573 7.868 15.432 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.749 8.053 17.166 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.784 9.496 14.610 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.500 9.737 14.955 1.00 0.00 H new ATOM 1260 N THR A 82 3.426 6.153 15.324 1.00 0.00 N ATOM 1261 CA THR A 82 2.269 6.880 14.818 1.00 0.00 C ATOM 1262 C THR A 82 0.985 6.403 15.487 1.00 0.00 C ATOM 1263 O THR A 82 0.054 7.182 15.693 1.00 0.00 O ATOM 1264 CB THR A 82 2.128 6.723 13.293 1.00 0.00 C ATOM 1265 OG1 THR A 82 2.134 5.335 12.941 1.00 0.00 O ATOM 1266 CG2 THR A 82 3.258 7.439 12.568 1.00 0.00 C ATOM 0 H THR A 82 3.873 5.543 14.639 1.00 0.00 H new ATOM 0 HA THR A 82 2.430 7.932 15.053 1.00 0.00 H new ATOM 0 HB THR A 82 1.182 7.171 12.990 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.497 5.179 12.213 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.137 7.314 11.492 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.234 8.500 12.815 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.214 7.016 12.877 1.00 0.00 H new ATOM 1274 N GLY A 83 0.941 5.118 15.826 1.00 0.00 N ATOM 1275 CA GLY A 83 -0.234 4.560 16.469 1.00 0.00 C ATOM 1276 C GLY A 83 -1.202 3.946 15.476 1.00 0.00 C ATOM 1277 O GLY A 83 -1.231 4.334 14.309 1.00 0.00 O ATOM 0 H GLY A 83 1.698 4.454 15.667 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.075 3.801 17.188 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.743 5.343 17.031 1.00 0.00 H new ATOM 1281 N GLN A 84 -1.993 2.985 15.941 1.00 0.00 N ATOM 1282 CA GLN A 84 -2.965 2.315 15.084 1.00 0.00 C ATOM 1283 C GLN A 84 -3.553 3.286 14.066 1.00 0.00 C ATOM 1284 O GLN A 84 -3.963 4.392 14.413 1.00 0.00 O ATOM 1285 CB GLN A 84 -4.084 1.703 15.928 1.00 0.00 C ATOM 1286 CG GLN A 84 -4.732 2.688 16.887 1.00 0.00 C ATOM 1287 CD GLN A 84 -5.989 2.137 17.529 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -6.773 2.878 18.124 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -6.190 0.829 17.413 1.00 0.00 N ATOM 0 H GLN A 84 -1.980 2.653 16.905 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.450 1.520 14.545 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.848 1.299 15.264 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.681 0.866 16.498 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.018 2.954 17.666 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.975 3.605 16.350 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.515 0.252 16.912 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.019 0.402 17.825 1.00 0.00 H new ATOM 1298 N GLY A 85 -3.591 2.862 12.806 1.00 0.00 N ATOM 1299 CA GLY A 85 -4.130 3.707 11.756 1.00 0.00 C ATOM 1300 C GLY A 85 -3.449 3.479 10.421 1.00 0.00 C ATOM 1301 O GLY A 85 -2.257 3.172 10.370 1.00 0.00 O ATOM 0 H GLY A 85 -3.259 1.950 12.494 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.198 3.516 11.653 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.019 4.753 12.043 1.00 0.00 H new ATOM 1305 N ILE A 86 -4.205 3.627 9.339 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.667 3.435 7.998 1.00 0.00 C ATOM 1307 C ILE A 86 -3.234 4.762 7.384 1.00 0.00 C ATOM 1308 O ILE A 86 -3.894 5.786 7.564 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.695 2.763 7.070 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -4.863 1.288 7.441 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -4.267 2.903 5.616 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -6.047 0.627 6.770 1.00 0.00 C ATOM 0 H ILE A 86 -5.193 3.880 9.365 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.799 2.783 8.097 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.656 3.262 7.196 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.955 0.748 7.172 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.975 1.204 8.522 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.004 2.423 4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.194 3.960 5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.297 2.427 5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.104 -0.417 7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.963 1.142 7.059 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.928 0.679 5.688 1.00 0.00 H new ATOM 1324 N PHE A 87 -2.123 4.736 6.656 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.602 5.937 6.013 1.00 0.00 C ATOM 1326 C PHE A 87 -1.286 5.674 4.544 1.00 0.00 C ATOM 1327 O PHE A 87 -0.415 4.866 4.220 1.00 0.00 O ATOM 1328 CB PHE A 87 -0.346 6.425 6.738 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.393 6.219 8.225 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -1.155 7.051 9.029 1.00 0.00 C ATOM 1331 CD2 PHE A 87 0.325 5.193 8.818 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -1.201 6.863 10.398 1.00 0.00 C ATOM 1333 CE2 PHE A 87 0.282 5.000 10.186 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.481 5.837 10.977 1.00 0.00 C ATOM 0 H PHE A 87 -1.566 3.897 6.496 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.368 6.710 6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.522 5.904 6.334 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.206 7.486 6.531 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.719 7.856 8.581 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.925 4.537 8.205 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.799 7.518 11.014 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.844 4.195 10.636 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.514 5.689 12.046 1.00 0.00 H new ATOM 1344 N ALA A 88 -2.000 6.362 3.658 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.795 6.204 2.224 1.00 0.00 C ATOM 1346 C ALA A 88 -1.039 7.395 1.643 1.00 0.00 C ATOM 1347 O ALA A 88 -1.147 8.515 2.143 1.00 0.00 O ATOM 1348 CB ALA A 88 -3.130 6.028 1.516 1.00 0.00 C ATOM 0 H ALA A 88 -2.725 7.034 3.909 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.191 5.311 2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.961 5.911 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.633 5.142 1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.753 6.905 1.692 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.273 7.145 0.586 1.00 0.00 N ATOM 1355 CA PHE A 89 0.502 8.197 -0.062 1.00 0.00 C ATOM 1356 C PHE A 89 0.521 8.004 -1.575 1.00 0.00 C ATOM 1357 O PHE A 89 0.566 6.877 -2.069 1.00 0.00 O ATOM 1358 CB PHE A 89 1.933 8.212 0.480 1.00 0.00 C ATOM 1359 CG PHE A 89 2.010 8.077 1.974 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.776 6.856 2.586 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.316 9.172 2.767 1.00 0.00 C ATOM 1362 CE1 PHE A 89 1.845 6.730 3.961 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.387 9.052 4.142 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.152 7.829 4.739 1.00 0.00 C ATOM 0 H PHE A 89 -0.172 6.224 0.160 1.00 0.00 H new ATOM 0 HA PHE A 89 0.027 9.153 0.159 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.496 7.399 0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.416 9.143 0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.537 5.993 1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.501 10.130 2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.659 5.773 4.426 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.626 9.913 4.749 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.208 7.732 5.813 1.00 0.00 H new ATOM 1374 N LYS A 90 0.487 9.113 -2.307 1.00 0.00 N ATOM 1375 CA LYS A 90 0.501 9.069 -3.764 1.00 0.00 C ATOM 1376 C LYS A 90 1.929 8.984 -4.292 1.00 0.00 C ATOM 1377 O LYS A 90 2.795 9.766 -3.896 1.00 0.00 O ATOM 1378 CB LYS A 90 -0.194 10.306 -4.339 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.689 10.126 -4.537 1.00 0.00 C ATOM 1380 CD LYS A 90 -2.301 11.309 -5.269 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.661 10.960 -5.852 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.532 10.274 -4.858 1.00 0.00 N ATOM 0 H LYS A 90 0.450 10.054 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.038 8.176 -4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.023 11.151 -3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.263 10.558 -5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.875 9.212 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.174 10.006 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.403 12.150 -4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.633 11.629 -6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.152 11.870 -6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.529 10.318 -6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.409 9.963 -5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.033 9.448 -4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.763 10.932 -4.086 1.00 0.00 H new ATOM 1396 N CYS A 91 2.168 8.034 -5.189 1.00 0.00 N ATOM 1397 CA CYS A 91 3.493 7.848 -5.771 1.00 0.00 C ATOM 1398 C CYS A 91 3.437 6.882 -6.950 1.00 0.00 C ATOM 1399 O CYS A 91 3.201 5.686 -6.775 1.00 0.00 O ATOM 1400 CB CYS A 91 4.469 7.328 -4.716 1.00 0.00 C ATOM 1401 SG CYS A 91 6.201 7.360 -5.233 1.00 0.00 S ATOM 0 H CYS A 91 1.462 7.381 -5.529 1.00 0.00 H new ATOM 0 HA CYS A 91 3.843 8.815 -6.132 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.360 7.925 -3.810 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.197 6.305 -4.458 1.00 0.00 H new ATOM 0 HG CYS A 91 6.736 8.493 -4.888 1.00 0.00 H new ATOM 1407 N SER A 92 3.654 7.408 -8.151 1.00 0.00 N ATOM 1408 CA SER A 92 3.624 6.594 -9.360 1.00 0.00 C ATOM 1409 C SER A 92 4.669 5.485 -9.295 1.00 0.00 C ATOM 1410 O SER A 92 4.562 4.473 -9.988 1.00 0.00 O ATOM 1411 CB SER A 92 3.865 7.465 -10.594 1.00 0.00 C ATOM 1412 OG SER A 92 3.983 6.672 -11.763 1.00 0.00 O ATOM 0 H SER A 92 3.853 8.395 -8.313 1.00 0.00 H new ATOM 0 HA SER A 92 2.638 6.136 -9.434 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.043 8.171 -10.711 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.772 8.053 -10.456 1.00 0.00 H new ATOM 0 HG SER A 92 4.135 7.252 -12.538 1.00 0.00 H new ATOM 1418 N ARG A 93 5.681 5.683 -8.456 1.00 0.00 N ATOM 1419 CA ARG A 93 6.748 4.701 -8.300 1.00 0.00 C ATOM 1420 C ARG A 93 6.488 3.803 -7.095 1.00 0.00 C ATOM 1421 O ARG A 93 7.415 3.414 -6.386 1.00 0.00 O ATOM 1422 CB ARG A 93 8.098 5.404 -8.144 1.00 0.00 C ATOM 1423 CG ARG A 93 9.265 4.616 -8.715 1.00 0.00 C ATOM 1424 CD ARG A 93 9.416 4.849 -10.210 1.00 0.00 C ATOM 1425 NE ARG A 93 8.623 3.906 -10.995 1.00 0.00 N ATOM 1426 CZ ARG A 93 8.582 3.906 -12.322 1.00 0.00 C ATOM 1427 NH1 ARG A 93 9.285 4.796 -13.010 1.00 0.00 N ATOM 1428 NH2 ARG A 93 7.837 3.016 -12.965 1.00 0.00 N ATOM 0 H ARG A 93 5.784 6.514 -7.874 1.00 0.00 H new ATOM 0 HA ARG A 93 6.771 4.080 -9.196 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.051 6.375 -8.636 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.280 5.591 -7.086 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.184 4.905 -8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.116 3.553 -8.525 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.111 5.867 -10.451 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.466 4.757 -10.487 1.00 0.00 H new ATOM 0 HE ARG A 93 8.070 3.209 -10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.859 5.482 -12.520 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.252 4.794 -14.029 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.295 2.330 -12.440 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.807 3.018 -13.985 1.00 0.00 H new ATOM 1442 N ALA A 94 5.219 3.477 -6.869 1.00 0.00 N ATOM 1443 CA ALA A 94 4.837 2.623 -5.751 1.00 0.00 C ATOM 1444 C ALA A 94 5.334 1.196 -5.955 1.00 0.00 C ATOM 1445 O ALA A 94 5.813 0.557 -5.019 1.00 0.00 O ATOM 1446 CB ALA A 94 3.326 2.637 -5.569 1.00 0.00 C ATOM 0 H ALA A 94 4.438 3.792 -7.445 1.00 0.00 H new ATOM 0 HA ALA A 94 5.305 3.017 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.055 1.995 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.993 3.655 -5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.847 2.270 -6.477 1.00 0.00 H new ATOM 1452 N GLU A 95 5.215 0.703 -7.184 1.00 0.00 N ATOM 1453 CA GLU A 95 5.652 -0.650 -7.508 1.00 0.00 C ATOM 1454 C GLU A 95 7.090 -0.881 -7.053 1.00 0.00 C ATOM 1455 O GLU A 95 7.363 -1.782 -6.260 1.00 0.00 O ATOM 1456 CB GLU A 95 5.536 -0.900 -9.013 1.00 0.00 C ATOM 1457 CG GLU A 95 5.387 -2.367 -9.377 1.00 0.00 C ATOM 1458 CD GLU A 95 4.564 -2.577 -10.633 1.00 0.00 C ATOM 1459 OE1 GLU A 95 3.891 -1.618 -11.067 1.00 0.00 O ATOM 1460 OE2 GLU A 95 4.591 -3.698 -11.181 1.00 0.00 O ATOM 0 H GLU A 95 4.820 1.219 -7.970 1.00 0.00 H new ATOM 0 HA GLU A 95 5.005 -1.350 -6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.678 -0.350 -9.399 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.420 -0.500 -9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.375 -2.805 -9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.919 -2.897 -8.548 1.00 0.00 H new ATOM 1467 N GLU A 96 8.005 -0.062 -7.561 1.00 0.00 N ATOM 1468 CA GLU A 96 9.415 -0.178 -7.207 1.00 0.00 C ATOM 1469 C GLU A 96 9.581 -0.428 -5.711 1.00 0.00 C ATOM 1470 O GLU A 96 10.378 -1.271 -5.297 1.00 0.00 O ATOM 1471 CB GLU A 96 10.171 1.088 -7.612 1.00 0.00 C ATOM 1472 CG GLU A 96 10.626 1.089 -9.062 1.00 0.00 C ATOM 1473 CD GLU A 96 11.908 1.871 -9.271 1.00 0.00 C ATOM 1474 OE1 GLU A 96 12.640 2.087 -8.282 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.180 2.266 -10.424 1.00 0.00 O ATOM 0 H GLU A 96 7.796 0.689 -8.219 1.00 0.00 H new ATOM 0 HA GLU A 96 9.831 -1.028 -7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.531 1.953 -7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.042 1.203 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.774 0.061 -9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.840 1.515 -9.685 1.00 0.00 H new ATOM 1482 N ILE A 97 8.826 0.312 -4.906 1.00 0.00 N ATOM 1483 CA ILE A 97 8.889 0.171 -3.457 1.00 0.00 C ATOM 1484 C ILE A 97 8.230 -1.126 -3.001 1.00 0.00 C ATOM 1485 O ILE A 97 8.681 -1.764 -2.050 1.00 0.00 O ATOM 1486 CB ILE A 97 8.211 1.357 -2.746 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.714 2.681 -3.323 1.00 0.00 C ATOM 1488 CG2 ILE A 97 8.468 1.293 -1.248 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.713 3.810 -3.207 1.00 0.00 C ATOM 0 H ILE A 97 8.164 1.015 -5.233 1.00 0.00 H new ATOM 0 HA ILE A 97 9.945 0.152 -3.188 1.00 0.00 H new ATOM 0 HB ILE A 97 7.136 1.296 -2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.632 2.966 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.967 2.537 -4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.983 2.138 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.065 0.362 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.541 1.333 -1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.137 4.718 -3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.802 3.546 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.478 3.981 -2.157 1.00 0.00 H new ATOM 1501 N PHE A 98 7.159 -1.512 -3.688 1.00 0.00 N ATOM 1502 CA PHE A 98 6.437 -2.734 -3.354 1.00 0.00 C ATOM 1503 C PHE A 98 7.230 -3.967 -3.778 1.00 0.00 C ATOM 1504 O PHE A 98 7.042 -5.055 -3.235 1.00 0.00 O ATOM 1505 CB PHE A 98 5.064 -2.740 -4.029 1.00 0.00 C ATOM 1506 CG PHE A 98 4.659 -4.089 -4.552 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.538 -5.171 -3.694 1.00 0.00 C ATOM 1508 CD2 PHE A 98 4.398 -4.275 -5.900 1.00 0.00 C ATOM 1509 CE1 PHE A 98 4.166 -6.413 -4.173 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.025 -5.515 -6.384 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.908 -6.585 -5.519 1.00 0.00 C ATOM 0 H PHE A 98 6.773 -0.996 -4.479 1.00 0.00 H new ATOM 0 HA PHE A 98 6.303 -2.764 -2.273 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.316 -2.396 -3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.070 -2.026 -4.853 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.736 -5.042 -2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.487 -3.441 -6.581 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.077 -7.249 -3.495 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.825 -5.647 -7.437 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.615 -7.555 -5.894 1.00 0.00 H new ATOM 1521 N ASN A 99 8.116 -3.788 -4.752 1.00 0.00 N ATOM 1522 CA ASN A 99 8.937 -4.885 -5.250 1.00 0.00 C ATOM 1523 C ASN A 99 10.241 -4.989 -4.464 1.00 0.00 C ATOM 1524 O ASN A 99 10.851 -6.057 -4.391 1.00 0.00 O ATOM 1525 CB ASN A 99 9.239 -4.690 -6.737 1.00 0.00 C ATOM 1526 CG ASN A 99 8.157 -5.269 -7.628 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.783 -6.434 -7.492 1.00 0.00 O ATOM 1528 ND2 ASN A 99 7.648 -4.456 -8.546 1.00 0.00 N ATOM 0 H ASN A 99 8.284 -2.893 -5.212 1.00 0.00 H new ATOM 0 HA ASN A 99 8.379 -5.812 -5.118 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.347 -3.626 -6.946 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.193 -5.160 -6.976 1.00 0.00 H new ATOM 0 HD21 ASN A 99 6.917 -4.790 -9.174 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.988 -3.497 -8.623 1.00 0.00 H new ATOM 1535 N LEU A 100 10.662 -3.874 -3.878 1.00 0.00 N ATOM 1536 CA LEU A 100 11.893 -3.839 -3.096 1.00 0.00 C ATOM 1537 C LEU A 100 11.614 -4.139 -1.627 1.00 0.00 C ATOM 1538 O LEU A 100 12.486 -4.625 -0.905 1.00 0.00 O ATOM 1539 CB LEU A 100 12.567 -2.472 -3.231 1.00 0.00 C ATOM 1540 CG LEU A 100 14.083 -2.449 -3.030 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.606 -1.021 -3.081 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.456 -3.109 -1.711 1.00 0.00 C ATOM 0 H LEU A 100 10.169 -2.982 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 100 12.562 -4.607 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.346 -2.076 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 100 12.114 -1.793 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 100 14.547 -3.013 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.686 -1.024 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.371 -0.582 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.136 -0.433 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.538 -3.084 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 100 13.982 -2.573 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.115 -4.144 -1.713 1.00 0.00 H new ATOM 1554 N LEU A 101 10.394 -3.847 -1.190 1.00 0.00 N ATOM 1555 CA LEU A 101 9.998 -4.088 0.193 1.00 0.00 C ATOM 1556 C LEU A 101 10.068 -5.574 0.529 1.00 0.00 C ATOM 1557 O LEU A 101 10.749 -5.974 1.473 1.00 0.00 O ATOM 1558 CB LEU A 101 8.582 -3.564 0.437 1.00 0.00 C ATOM 1559 CG LEU A 101 8.474 -2.114 0.910 1.00 0.00 C ATOM 1560 CD1 LEU A 101 7.020 -1.669 0.942 1.00 0.00 C ATOM 1561 CD2 LEU A 101 9.114 -1.951 2.281 1.00 0.00 C ATOM 0 H LEU A 101 9.662 -3.443 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 101 10.693 -3.555 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.014 -3.667 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.102 -4.203 1.178 1.00 0.00 H new ATOM 0 HG LEU A 101 9.010 -1.481 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.963 -0.635 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.594 -1.747 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.459 -2.306 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.028 -0.913 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.606 -2.596 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.167 -2.228 2.226 1.00 0.00 H new ATOM 1573 N GLN A 102 9.362 -6.386 -0.251 1.00 0.00 N ATOM 1574 CA GLN A 102 9.347 -7.828 -0.036 1.00 0.00 C ATOM 1575 C GLN A 102 10.758 -8.402 -0.091 1.00 0.00 C ATOM 1576 O GLN A 102 11.005 -9.514 0.375 1.00 0.00 O ATOM 1577 CB GLN A 102 8.464 -8.511 -1.082 1.00 0.00 C ATOM 1578 CG GLN A 102 8.802 -8.120 -2.512 1.00 0.00 C ATOM 1579 CD GLN A 102 8.025 -8.924 -3.536 1.00 0.00 C ATOM 1580 OE1 GLN A 102 7.195 -8.383 -4.267 1.00 0.00 O ATOM 1581 NE2 GLN A 102 8.290 -10.224 -3.593 1.00 0.00 N ATOM 0 H GLN A 102 8.793 -6.070 -1.037 1.00 0.00 H new ATOM 0 HA GLN A 102 8.937 -8.018 0.956 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.560 -9.592 -0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.421 -8.263 -0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.593 -7.060 -2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.870 -8.260 -2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.986 -10.630 -2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.798 -10.816 -4.262 1.00 0.00 H new ATOM 1590 N ASP A 103 11.681 -7.637 -0.665 1.00 0.00 N ATOM 1591 CA ASP A 103 13.069 -8.070 -0.781 1.00 0.00 C ATOM 1592 C ASP A 103 13.819 -7.845 0.529 1.00 0.00 C ATOM 1593 O ASP A 103 14.696 -8.628 0.896 1.00 0.00 O ATOM 1594 CB ASP A 103 13.765 -7.320 -1.917 1.00 0.00 C ATOM 1595 CG ASP A 103 13.645 -8.040 -3.246 1.00 0.00 C ATOM 1596 OD1 ASP A 103 12.700 -8.841 -3.402 1.00 0.00 O ATOM 1597 OD2 ASP A 103 14.495 -7.803 -4.129 1.00 0.00 O ATOM 0 H ASP A 103 11.493 -6.714 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 103 13.075 -9.137 -1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.334 -6.323 -2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.819 -7.191 -1.671 1.00 0.00 H new ATOM 1602 N LEU A 104 13.469 -6.771 1.228 1.00 0.00 N ATOM 1603 CA LEU A 104 14.110 -6.443 2.497 1.00 0.00 C ATOM 1604 C LEU A 104 13.407 -7.137 3.658 1.00 0.00 C ATOM 1605 O LEU A 104 14.053 -7.659 4.566 1.00 0.00 O ATOM 1606 CB LEU A 104 14.107 -4.929 2.715 1.00 0.00 C ATOM 1607 CG LEU A 104 14.563 -4.078 1.529 1.00 0.00 C ATOM 1608 CD1 LEU A 104 14.233 -2.613 1.765 1.00 0.00 C ATOM 1609 CD2 LEU A 104 16.054 -4.259 1.286 1.00 0.00 C ATOM 0 H LEU A 104 12.746 -6.113 0.938 1.00 0.00 H new ATOM 0 HA LEU A 104 15.140 -6.797 2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.097 -4.624 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.749 -4.704 3.566 1.00 0.00 H new ATOM 0 HG LEU A 104 14.027 -4.410 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.565 -2.023 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.156 -2.498 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.741 -2.266 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.362 -3.646 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.607 -3.954 2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.263 -5.307 1.071 1.00 0.00 H new ATOM 1621 N MET A 105 12.078 -7.142 3.621 1.00 0.00 N ATOM 1622 CA MET A 105 11.287 -7.776 4.669 1.00 0.00 C ATOM 1623 C MET A 105 11.725 -9.221 4.883 1.00 0.00 C ATOM 1624 O MET A 105 11.772 -9.703 6.014 1.00 0.00 O ATOM 1625 CB MET A 105 9.799 -7.729 4.314 1.00 0.00 C ATOM 1626 CG MET A 105 9.264 -6.319 4.126 1.00 0.00 C ATOM 1627 SD MET A 105 8.633 -5.605 5.658 1.00 0.00 S ATOM 1628 CE MET A 105 7.077 -6.477 5.822 1.00 0.00 C ATOM 0 H MET A 105 11.527 -6.714 2.877 1.00 0.00 H new ATOM 0 HA MET A 105 11.450 -7.225 5.595 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.634 -8.297 3.398 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.230 -8.223 5.102 1.00 0.00 H new ATOM 0 HG2 MET A 105 10.057 -5.683 3.733 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.468 -6.333 3.381 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.256 -5.760 5.825 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.955 -7.165 4.985 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.071 -7.038 6.756 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.679 11.271 8.176 1.00 0.00 N ATOM 2276 CA PHE B 2 -4.114 11.103 7.978 1.00 0.00 C ATOM 2277 C PHE B 2 -4.535 9.660 8.243 1.00 0.00 C ATOM 2278 O PHE B 2 -3.935 8.722 7.719 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.505 11.507 6.554 1.00 0.00 C ATOM 2280 CG PHE B 2 -5.982 11.426 6.292 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.585 10.208 6.023 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.766 12.568 6.315 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -7.944 10.131 5.781 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -8.125 12.497 6.074 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.715 11.277 5.808 1.00 0.00 C ATOM 0 HA PHE B 2 -4.631 11.750 8.687 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -4.167 12.526 6.368 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -3.983 10.864 5.846 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -5.987 9.309 6.002 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -6.310 13.525 6.524 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -8.402 9.176 5.571 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -8.725 13.395 6.094 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.777 11.219 5.621 1.00 0.00 H new ATOM 2295 N ARG B 3 -5.569 9.492 9.060 1.00 0.00 N ATOM 2296 CA ARG B 3 -6.070 8.165 9.397 1.00 0.00 C ATOM 2297 C ARG B 3 -7.164 7.734 8.425 1.00 0.00 C ATOM 2298 O ARG B 3 -8.212 8.374 8.329 1.00 0.00 O ATOM 2299 CB ARG B 3 -6.608 8.148 10.828 1.00 0.00 C ATOM 2300 CG ARG B 3 -5.520 8.168 11.889 1.00 0.00 C ATOM 2301 CD ARG B 3 -6.082 8.516 13.258 1.00 0.00 C ATOM 2302 NE ARG B 3 -6.581 7.338 13.961 1.00 0.00 N ATOM 2303 CZ ARG B 3 -6.769 7.291 15.275 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -6.502 8.351 16.025 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -7.226 6.181 15.842 1.00 0.00 N ATOM 0 H ARG B 3 -6.077 10.259 9.501 1.00 0.00 H new ATOM 0 HA ARG B 3 -5.242 7.461 9.320 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -7.260 9.010 10.972 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -7.221 7.258 10.966 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -5.034 7.193 11.931 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -4.755 8.894 11.613 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -5.307 8.994 13.857 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -6.889 9.240 13.145 1.00 0.00 H new ATOM 0 HE ARG B 3 -6.797 6.505 13.413 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -6.151 9.206 15.593 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -6.647 8.312 17.034 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -7.433 5.363 15.268 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -7.370 6.146 16.851 1.00 0.00 H new ATOM 2319 N LEU B 4 -6.914 6.646 7.705 1.00 0.00 N ATOM 2320 CA LEU B 4 -7.877 6.128 6.740 1.00 0.00 C ATOM 2321 C LEU B 4 -8.889 5.211 7.418 1.00 0.00 C ATOM 2322 O LEU B 4 -8.850 5.018 8.634 1.00 0.00 O ATOM 2323 CB LEU B 4 -7.155 5.372 5.624 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.692 6.213 4.433 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.774 5.403 3.532 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.889 6.733 3.650 1.00 0.00 C ATOM 0 H LEU B 4 -6.052 6.105 7.771 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.413 6.974 6.310 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -6.284 4.876 6.053 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.818 4.590 5.255 1.00 0.00 H new ATOM 0 HG LEU B 4 -6.132 7.068 4.812 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.455 6.018 2.690 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.900 5.081 4.098 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.308 4.528 3.160 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.541 7.329 2.806 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.476 5.892 3.282 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.508 7.351 4.300 1.00 0.00 H new ATOM 2338 N ARG B 5 -9.794 4.647 6.625 1.00 0.00 N ATOM 2339 CA ARG B 5 -10.816 3.749 7.149 1.00 0.00 C ATOM 2340 C ARG B 5 -10.526 2.304 6.752 1.00 0.00 C ATOM 2341 O ARG B 5 -10.910 1.368 7.453 1.00 0.00 O ATOM 2342 CB ARG B 5 -12.198 4.161 6.639 1.00 0.00 C ATOM 2343 CG ARG B 5 -12.716 5.449 7.259 1.00 0.00 C ATOM 2344 CD ARG B 5 -13.716 6.143 6.347 1.00 0.00 C ATOM 2345 NE ARG B 5 -14.340 7.294 6.994 1.00 0.00 N ATOM 2346 CZ ARG B 5 -15.360 7.198 7.839 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -15.869 6.011 8.137 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -15.874 8.292 8.387 1.00 0.00 N ATOM 0 H ARG B 5 -9.840 4.796 5.617 1.00 0.00 H new ATOM 0 HA ARG B 5 -10.802 3.819 8.237 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -12.156 4.280 5.556 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -12.906 3.358 6.844 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -13.187 5.229 8.217 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -11.880 6.119 7.461 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -13.212 6.468 5.437 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -14.487 5.433 6.048 1.00 0.00 H new ATOM 0 HE ARG B 5 -13.972 8.222 6.785 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -15.477 5.168 7.717 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -16.652 5.940 8.786 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -15.486 9.207 8.159 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -16.657 8.218 9.036 1.00 0.00 H new ATOM 2362 N HIS B 6 -9.846 2.132 5.623 1.00 0.00 N ATOM 2363 CA HIS B 6 -9.504 0.801 5.132 1.00 0.00 C ATOM 2364 C HIS B 6 -8.284 0.856 4.218 1.00 0.00 C ATOM 2365 O HIS B 6 -7.693 1.917 4.018 1.00 0.00 O ATOM 2366 CB HIS B 6 -10.690 0.190 4.385 1.00 0.00 C ATOM 2367 CG HIS B 6 -11.081 0.953 3.157 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -10.742 0.551 1.882 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -11.787 2.099 3.013 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -11.222 1.418 1.007 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -11.861 2.366 1.669 1.00 0.00 N ATOM 0 H HIS B 6 -9.521 2.897 5.031 1.00 0.00 H new ATOM 0 HA HIS B 6 -9.264 0.174 5.991 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -10.443 -0.834 4.104 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -11.545 0.138 5.058 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -12.213 2.693 3.808 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -11.111 1.361 -0.066 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -12.333 3.167 1.249 1.00 0.00 H new ATOM 2380 N PHE B 7 -7.912 -0.294 3.666 1.00 0.00 N ATOM 2381 CA PHE B 7 -6.762 -0.377 2.774 1.00 0.00 C ATOM 2382 C PHE B 7 -7.194 -0.254 1.316 1.00 0.00 C ATOM 2383 O PHE B 7 -7.981 -1.051 0.805 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.019 -1.698 2.987 1.00 0.00 C ATOM 2385 CG PHE B 7 -4.548 -1.612 2.695 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -3.772 -0.616 3.266 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -3.942 -2.526 1.849 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -2.418 -0.534 2.999 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -2.588 -2.450 1.579 1.00 0.00 C ATOM 2390 CZ PHE B 7 -1.826 -1.452 2.154 1.00 0.00 C ATOM 0 H PHE B 7 -8.390 -1.181 3.821 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.093 0.451 3.007 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.158 -2.022 4.018 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -6.464 -2.463 2.350 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.230 0.105 3.927 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -4.534 -3.307 1.395 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -1.824 0.247 3.451 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.127 -3.170 0.919 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.769 -1.390 1.943 1.00 0.00 H new ATOM 2400 N PRO B 8 -6.668 0.771 0.628 1.00 0.00 N ATOM 2401 CA PRO B 8 -6.984 1.024 -0.781 1.00 0.00 C ATOM 2402 C PRO B 8 -6.390 -0.032 -1.707 1.00 0.00 C ATOM 2403 O PRO B 8 -7.065 -0.532 -2.608 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.346 2.390 -1.048 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.245 2.495 -0.050 1.00 0.00 C ATOM 2406 CD PRO B 8 -5.722 1.760 1.172 1.00 0.00 C ATOM 0 HA PRO B 8 -8.057 0.996 -0.970 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -5.964 2.456 -2.067 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.070 3.196 -0.925 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.325 2.055 -0.436 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -5.027 3.537 0.182 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -4.898 1.280 1.699 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.206 2.431 1.881 1.00 0.00 H new ATOM 2414 N CYS B 9 -5.124 -0.366 -1.481 1.00 0.00 N ATOM 2415 CA CYS B 9 -4.439 -1.362 -2.296 1.00 0.00 C ATOM 2416 C CYS B 9 -5.268 -2.638 -2.407 1.00 0.00 C ATOM 2417 O CYS B 9 -5.893 -3.070 -1.439 1.00 0.00 O ATOM 2418 CB CYS B 9 -3.067 -1.682 -1.702 1.00 0.00 C ATOM 2419 SG CYS B 9 -2.134 -0.225 -1.173 1.00 0.00 S ATOM 0 H CYS B 9 -4.552 0.039 -0.740 1.00 0.00 H new ATOM 0 HA CYS B 9 -4.307 -0.948 -3.296 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.199 -2.346 -0.848 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -2.481 -2.227 -2.442 1.00 0.00 H new ATOM 0 HG CYS B 9 -1.832 -0.337 0.086 1.00 0.00 H new ATOM 2425 N GLY B 10 -5.270 -3.235 -3.595 1.00 0.00 N ATOM 2426 CA GLY B 10 -6.027 -4.454 -3.811 1.00 0.00 C ATOM 2427 C GLY B 10 -5.147 -5.688 -3.825 1.00 0.00 C ATOM 2428 O GLY B 10 -5.525 -6.734 -3.297 1.00 0.00 O ATOM 0 H GLY B 10 -4.761 -2.896 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -6.778 -4.556 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -6.562 -4.383 -4.758 1.00 0.00 H new ATOM 2432 N ASN B 11 -3.971 -5.568 -4.433 1.00 0.00 N ATOM 2433 CA ASN B 11 -3.036 -6.684 -4.516 1.00 0.00 C ATOM 2434 C ASN B 11 -1.890 -6.508 -3.525 1.00 0.00 C ATOM 2435 O ASN B 11 -0.808 -6.045 -3.886 1.00 0.00 O ATOM 2436 CB ASN B 11 -2.482 -6.807 -5.937 1.00 0.00 C ATOM 2437 CG ASN B 11 -3.526 -7.291 -6.924 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -4.154 -8.331 -6.722 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -3.717 -6.536 -8.000 1.00 0.00 N ATOM 0 H ASN B 11 -3.643 -4.709 -4.875 1.00 0.00 H new ATOM 0 HA ASN B 11 -3.575 -7.597 -4.263 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -2.101 -5.838 -6.261 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -1.638 -7.497 -5.937 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -4.407 -6.810 -8.700 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -3.174 -5.682 -8.127 1.00 0.00 H new ATOM 2446 N VAL B 12 -2.135 -6.881 -2.273 1.00 0.00 N ATOM 2447 CA VAL B 12 -1.123 -6.767 -1.229 1.00 0.00 C ATOM 2448 C VAL B 12 -0.381 -8.085 -1.036 1.00 0.00 C ATOM 2449 O VAL B 12 -0.856 -9.142 -1.447 1.00 0.00 O ATOM 2450 CB VAL B 12 -1.747 -6.340 0.113 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -2.879 -5.350 -0.115 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -2.239 -7.557 0.882 1.00 0.00 C ATOM 0 H VAL B 12 -3.026 -7.265 -1.957 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.418 -6.001 -1.553 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.980 -5.847 0.710 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.307 -5.060 0.844 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.493 -4.466 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.649 -5.814 -0.731 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.677 -7.237 1.828 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.992 -8.080 0.292 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.402 -8.227 1.078 1.00 0.00 H new ATOM 2462 N ASN B 13 0.788 -8.013 -0.407 1.00 0.00 N ATOM 2463 CA ASN B 13 1.597 -9.200 -0.159 1.00 0.00 C ATOM 2464 C ASN B 13 2.052 -9.254 1.296 1.00 0.00 C ATOM 2465 O ASN B 13 3.050 -8.636 1.668 1.00 0.00 O ATOM 2466 CB ASN B 13 2.813 -9.217 -1.087 1.00 0.00 C ATOM 2467 CG ASN B 13 3.980 -9.983 -0.496 1.00 0.00 C ATOM 2468 OD1 ASN B 13 3.798 -10.864 0.345 1.00 0.00 O ATOM 2469 ND2 ASN B 13 5.189 -9.650 -0.933 1.00 0.00 N ATOM 0 H ASN B 13 1.196 -7.145 -0.060 1.00 0.00 H new ATOM 0 HA ASN B 13 0.982 -10.077 -0.361 1.00 0.00 H new ATOM 0 HB2 ASN B 13 2.533 -9.665 -2.040 1.00 0.00 H new ATOM 0 HB3 ASN B 13 3.122 -8.193 -1.295 1.00 0.00 H new ATOM 0 HD21 ASN B 13 6.013 -10.131 -0.571 1.00 0.00 H new ATOM 0 HD22 ASN B 13 5.294 -8.914 -1.631 1.00 0.00 H new ATOM 2476 N TYR B 14 1.315 -9.997 2.114 1.00 0.00 N ATOM 2477 CA TYR B 14 1.642 -10.131 3.529 1.00 0.00 C ATOM 2478 C TYR B 14 3.004 -10.791 3.713 1.00 0.00 C ATOM 2479 O TYR B 14 3.380 -11.688 2.959 1.00 0.00 O ATOM 2480 CB TYR B 14 0.566 -10.946 4.248 1.00 0.00 C ATOM 2481 CG TYR B 14 -0.845 -10.561 3.862 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -1.431 -9.405 4.361 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -1.590 -11.352 2.997 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -2.720 -9.049 4.012 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -2.879 -11.004 2.641 1.00 0.00 C ATOM 2486 CZ TYR B 14 -3.439 -9.852 3.152 1.00 0.00 C ATOM 2487 OH TYR B 14 -4.723 -9.501 2.800 1.00 0.00 O ATOM 0 H TYR B 14 0.487 -10.516 1.822 1.00 0.00 H new ATOM 0 HA TYR B 14 1.681 -9.132 3.963 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.717 -12.003 4.031 1.00 0.00 H new ATOM 0 HB3 TYR B 14 0.686 -10.821 5.324 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -0.870 -8.773 5.033 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -1.154 -12.255 2.596 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.161 -8.147 4.410 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.444 -11.630 1.967 1.00 0.00 H new ATOM 0 HH TYR B 14 -5.089 -10.172 2.187 1.00 0.00 H new ATOM 2497 N GLY B 15 3.742 -10.341 4.724 1.00 0.00 N ATOM 2498 CA GLY B 15 5.054 -10.899 4.991 1.00 0.00 C ATOM 2499 C GLY B 15 5.156 -11.504 6.377 1.00 0.00 C ATOM 2500 O GLY B 15 4.690 -12.620 6.610 1.00 0.00 O ATOM 0 H GLY B 15 3.454 -9.600 5.363 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.279 -11.663 4.247 1.00 0.00 H new ATOM 0 HA3 GLY B 15 5.806 -10.118 4.883 1.00 0.00 H new