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 62:sc= 0 USER MOD Set 1.2: B 13 ASN : amide:sc= -1.26 K(o=-1.3,f=-3.8!) USER MOD Set 2.1: A 76 SER OG : rot 111:sc=0.000327 USER MOD Set 2.2: A 80 CYS SG : rot -72:sc= -0.891 USER MOD Set 2.3: A 82 THR OG1 : rot 170:sc= -0.338 USER MOD Set 3.1: A 70 ASN : amide:sc= -0.315 K(o=-0.32,f=-3.2!) USER MOD Set 3.2: A 90 LYS NZ :NH3+ -137:sc=-0.00989 (180deg=-0.133) USER MOD Set 4.1: A 17 HIS : no HD1:sc= -6.6! C(o=-6.9!,f=-12!) USER MOD Set 4.2: A 19 THR OG1 : rot 16:sc= -0.266 USER MOD Single : A 16 ASN : amide:sc= -0.0733 K(o=-0.073,f=-1.7!) USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= -0.65 (180deg=-1.02) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.836 K(o=-0.84,f=-2.4) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -155:sc= -2.82 (180deg=-4.8!) USER MOD Single : A 41 THR OG1 : rot 9:sc= 0.518 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= -0.0116 X(o=-0.012,f=-0.36) USER MOD Single : A 59 TYR OH : rot 168:sc= 0.401 USER MOD Single : A 61 CYS SG : rot -53:sc= -0.578 USER MOD Single : A 67 TYR OH : rot -128:sc= 0.00973 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 51:sc= 0.0264 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 84 GLN : amide:sc= -0.0384 K(o=-0.038,f=-1.5!) USER MOD Single : A 91 CYS SG : rot 60:sc= -0.0849 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN :FLIP amide:sc= -4.62! C(o=-7.6!,f=-4.6!) USER MOD Single : A 102 GLN : amide:sc= 0.00336 X(o=0.0034,f=0) USER MOD Single : A 105 MET CE :methyl 147:sc= -2.57 (180deg=-6.67!) USER MOD Single : B 6 HIS : no HD1:sc=-0.00162 X(o=-0.0016,f=-0.29) USER MOD Single : B 9 CYS SG : rot -80:sc= 0.136 USER MOD Single : B 11 ASN : amide:sc= -0.0811 X(o=-0.081,f=0) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 16.932 12.287 -6.747 1.00 0.00 N ATOM 163 CA PRO A 14 15.985 12.316 -7.866 1.00 0.00 C ATOM 164 C PRO A 14 14.606 11.797 -7.473 1.00 0.00 C ATOM 165 O PRO A 14 14.451 11.137 -6.445 1.00 0.00 O ATOM 166 CB PRO A 14 16.631 11.390 -8.900 1.00 0.00 C ATOM 167 CG PRO A 14 17.483 10.466 -8.101 1.00 0.00 C ATOM 168 CD PRO A 14 17.979 11.268 -6.930 1.00 0.00 C ATOM 0 HA PRO A 14 15.813 13.329 -8.229 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.878 10.843 -9.467 1.00 0.00 H new ATOM 0 HB3 PRO A 14 17.225 11.953 -9.620 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.912 9.600 -7.767 1.00 0.00 H new ATOM 0 HG3 PRO A 14 18.315 10.089 -8.696 1.00 0.00 H new ATOM 0 HD2 PRO A 14 18.098 10.649 -6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 14 18.949 11.721 -7.135 1.00 0.00 H new ATOM 176 N ASP A 15 13.609 12.099 -8.297 1.00 0.00 N ATOM 177 CA ASP A 15 12.243 11.661 -8.036 1.00 0.00 C ATOM 178 C ASP A 15 12.072 10.183 -8.373 1.00 0.00 C ATOM 179 O ASP A 15 10.998 9.614 -8.184 1.00 0.00 O ATOM 180 CB ASP A 15 11.252 12.499 -8.845 1.00 0.00 C ATOM 181 CG ASP A 15 11.601 13.975 -8.838 1.00 0.00 C ATOM 182 OD1 ASP A 15 11.531 14.595 -7.757 1.00 0.00 O ATOM 183 OD2 ASP A 15 11.943 14.509 -9.914 1.00 0.00 O ATOM 0 H ASP A 15 13.721 12.645 -9.151 1.00 0.00 H new ATOM 0 HA ASP A 15 12.041 11.799 -6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.231 12.139 -9.873 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.250 12.364 -8.439 1.00 0.00 H new ATOM 188 N ASN A 16 13.138 9.568 -8.874 1.00 0.00 N ATOM 189 CA ASN A 16 13.106 8.157 -9.239 1.00 0.00 C ATOM 190 C ASN A 16 14.300 7.414 -8.646 1.00 0.00 C ATOM 191 O ASN A 16 14.840 6.494 -9.262 1.00 0.00 O ATOM 192 CB ASN A 16 13.099 8.002 -10.761 1.00 0.00 C ATOM 193 CG ASN A 16 14.117 8.900 -11.438 1.00 0.00 C ATOM 194 OD1 ASN A 16 15.291 8.916 -11.066 1.00 0.00 O ATOM 195 ND2 ASN A 16 13.671 9.652 -12.437 1.00 0.00 N ATOM 0 H ASN A 16 14.035 10.025 -9.037 1.00 0.00 H new ATOM 0 HA ASN A 16 12.192 7.723 -8.832 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.306 6.963 -11.019 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.104 8.233 -11.142 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.310 10.276 -12.930 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.690 9.606 -12.711 1.00 0.00 H new ATOM 202 N HIS A 17 14.706 7.819 -7.447 1.00 0.00 N ATOM 203 CA HIS A 17 15.836 7.191 -6.771 1.00 0.00 C ATOM 204 C HIS A 17 15.515 5.744 -6.408 1.00 0.00 C ATOM 205 O HIS A 17 14.407 5.416 -5.983 1.00 0.00 O ATOM 206 CB HIS A 17 16.203 7.976 -5.511 1.00 0.00 C ATOM 207 CG HIS A 17 17.657 7.897 -5.159 1.00 0.00 C ATOM 208 ND1 HIS A 17 18.114 7.410 -3.953 1.00 0.00 N ATOM 209 CD2 HIS A 17 18.758 8.246 -5.864 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.433 7.464 -3.930 1.00 0.00 C ATOM 211 NE2 HIS A 17 19.849 7.967 -5.078 1.00 0.00 N ATOM 0 H HIS A 17 14.270 8.578 -6.924 1.00 0.00 H new ATOM 0 HA HIS A 17 16.686 7.196 -7.454 1.00 0.00 H new ATOM 0 HB2 HIS A 17 15.928 9.021 -5.651 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.614 7.600 -4.674 1.00 0.00 H new ATOM 0 HD2 HIS A 17 18.775 8.666 -6.859 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.064 7.150 -3.112 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.823 8.123 -5.339 1.00 0.00 H new ATOM 220 N PRO A 18 16.507 4.857 -6.578 1.00 0.00 N ATOM 221 CA PRO A 18 16.354 3.431 -6.274 1.00 0.00 C ATOM 222 C PRO A 18 16.242 3.166 -4.777 1.00 0.00 C ATOM 223 O PRO A 18 15.584 2.216 -4.351 1.00 0.00 O ATOM 224 CB PRO A 18 17.637 2.811 -6.833 1.00 0.00 C ATOM 225 CG PRO A 18 18.632 3.919 -6.817 1.00 0.00 C ATOM 226 CD PRO A 18 17.854 5.178 -7.079 1.00 0.00 C ATOM 0 HA PRO A 18 15.442 3.018 -6.704 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.970 1.972 -6.222 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.485 2.430 -7.843 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.144 3.970 -5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.397 3.767 -7.578 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.284 6.032 -6.556 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.839 5.428 -8.140 1.00 0.00 H new ATOM 234 N THR A 19 16.889 4.012 -3.981 1.00 0.00 N ATOM 235 CA THR A 19 16.862 3.869 -2.531 1.00 0.00 C ATOM 236 C THR A 19 15.878 4.846 -1.899 1.00 0.00 C ATOM 237 O THR A 19 15.362 4.607 -0.807 1.00 0.00 O ATOM 238 CB THR A 19 18.257 4.096 -1.918 1.00 0.00 C ATOM 239 OG1 THR A 19 18.811 5.325 -2.402 1.00 0.00 O ATOM 240 CG2 THR A 19 19.192 2.944 -2.258 1.00 0.00 C ATOM 0 H THR A 19 17.438 4.803 -4.317 1.00 0.00 H new ATOM 0 HA THR A 19 16.542 2.849 -2.321 1.00 0.00 H new ATOM 0 HB THR A 19 18.149 4.148 -0.835 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.101 5.868 -2.804 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.171 3.127 -1.814 1.00 0.00 H new ATOM 0 HG22 THR A 19 18.782 2.014 -1.863 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.293 2.865 -3.340 1.00 0.00 H new ATOM 248 N LYS A 20 15.619 5.950 -2.593 1.00 0.00 N ATOM 249 CA LYS A 20 14.694 6.964 -2.102 1.00 0.00 C ATOM 250 C LYS A 20 13.451 7.039 -2.984 1.00 0.00 C ATOM 251 O LYS A 20 13.497 6.706 -4.168 1.00 0.00 O ATOM 252 CB LYS A 20 15.382 8.330 -2.054 1.00 0.00 C ATOM 253 CG LYS A 20 16.068 8.619 -0.730 1.00 0.00 C ATOM 254 CD LYS A 20 17.506 8.128 -0.728 1.00 0.00 C ATOM 255 CE LYS A 20 18.339 8.847 0.321 1.00 0.00 C ATOM 256 NZ LYS A 20 17.918 8.490 1.704 1.00 0.00 N ATOM 0 H LYS A 20 16.038 6.165 -3.498 1.00 0.00 H new ATOM 0 HA LYS A 20 14.387 6.683 -1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.119 8.385 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.643 9.107 -2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.049 9.691 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.517 8.138 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.525 7.055 -0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.946 8.284 -1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.391 8.595 0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.249 9.924 0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.220 9.236 2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.883 8.396 1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.356 7.588 1.978 1.00 0.00 H new ATOM 270 N PHE A 21 12.342 7.480 -2.399 1.00 0.00 N ATOM 271 CA PHE A 21 11.087 7.600 -3.132 1.00 0.00 C ATOM 272 C PHE A 21 10.234 8.732 -2.567 1.00 0.00 C ATOM 273 O PHE A 21 9.668 8.616 -1.480 1.00 0.00 O ATOM 274 CB PHE A 21 10.311 6.283 -3.073 1.00 0.00 C ATOM 275 CG PHE A 21 11.073 5.113 -3.626 1.00 0.00 C ATOM 276 CD1 PHE A 21 12.090 4.522 -2.893 1.00 0.00 C ATOM 277 CD2 PHE A 21 10.773 4.603 -4.879 1.00 0.00 C ATOM 278 CE1 PHE A 21 12.793 3.445 -3.398 1.00 0.00 C ATOM 279 CE2 PHE A 21 11.473 3.526 -5.389 1.00 0.00 C ATOM 280 CZ PHE A 21 12.485 2.947 -4.649 1.00 0.00 C ATOM 0 H PHE A 21 12.287 7.760 -1.420 1.00 0.00 H new ATOM 0 HA PHE A 21 11.322 7.830 -4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.043 6.075 -2.037 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.379 6.394 -3.628 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.336 4.908 -1.915 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.984 5.052 -5.463 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.582 2.993 -2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.229 3.137 -6.366 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.034 2.107 -5.047 1.00 0.00 H new ATOM 290 N LYS A 22 10.146 9.827 -3.314 1.00 0.00 N ATOM 291 CA LYS A 22 9.362 10.982 -2.891 1.00 0.00 C ATOM 292 C LYS A 22 7.869 10.671 -2.936 1.00 0.00 C ATOM 293 O LYS A 22 7.313 10.401 -4.000 1.00 0.00 O ATOM 294 CB LYS A 22 9.670 12.187 -3.781 1.00 0.00 C ATOM 295 CG LYS A 22 10.891 12.975 -3.338 1.00 0.00 C ATOM 296 CD LYS A 22 11.587 13.635 -4.516 1.00 0.00 C ATOM 297 CE LYS A 22 13.011 14.038 -4.168 1.00 0.00 C ATOM 298 NZ LYS A 22 13.052 15.300 -3.377 1.00 0.00 N ATOM 0 H LYS A 22 10.608 9.939 -4.216 1.00 0.00 H new ATOM 0 HA LYS A 22 9.635 11.219 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.822 11.843 -4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.805 12.850 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.592 13.737 -2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.588 12.311 -2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.599 12.950 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.024 14.515 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.487 13.238 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.587 14.165 -5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.040 15.541 -3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.621 16.069 -3.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.524 15.171 -2.490 1.00 0.00 H new ATOM 312 N VAL A 23 7.226 10.713 -1.773 1.00 0.00 N ATOM 313 CA VAL A 23 5.797 10.438 -1.680 1.00 0.00 C ATOM 314 C VAL A 23 5.028 11.675 -1.227 1.00 0.00 C ATOM 315 O VAL A 23 5.621 12.700 -0.891 1.00 0.00 O ATOM 316 CB VAL A 23 5.509 9.282 -0.705 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.126 7.988 -1.213 1.00 0.00 C ATOM 318 CG2 VAL A 23 6.026 9.618 0.686 1.00 0.00 C ATOM 0 H VAL A 23 7.672 10.935 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 23 5.465 10.152 -2.678 1.00 0.00 H new ATOM 0 HB VAL A 23 4.430 9.142 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.912 7.182 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.704 7.742 -2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.205 8.111 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.814 8.790 1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.102 9.786 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.533 10.519 1.050 1.00 0.00 H new ATOM 328 N THR A 24 3.703 11.571 -1.218 1.00 0.00 N ATOM 329 CA THR A 24 2.852 12.680 -0.806 1.00 0.00 C ATOM 330 C THR A 24 1.660 12.186 0.006 1.00 0.00 C ATOM 331 O THR A 24 0.716 11.620 -0.542 1.00 0.00 O ATOM 332 CB THR A 24 2.337 13.474 -2.021 1.00 0.00 C ATOM 333 OG1 THR A 24 3.439 14.040 -2.739 1.00 0.00 O ATOM 334 CG2 THR A 24 1.389 14.580 -1.582 1.00 0.00 C ATOM 0 H THR A 24 3.196 10.729 -1.492 1.00 0.00 H new ATOM 0 HA THR A 24 3.464 13.335 -0.186 1.00 0.00 H new ATOM 0 HB THR A 24 1.794 12.789 -2.672 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.103 14.542 -3.511 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.038 15.127 -2.457 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.537 14.143 -1.061 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.912 15.263 -0.913 1.00 0.00 H new ATOM 342 N ASN A 25 1.711 12.406 1.316 1.00 0.00 N ATOM 343 CA ASN A 25 0.635 11.983 2.204 1.00 0.00 C ATOM 344 C ASN A 25 -0.706 12.544 1.740 1.00 0.00 C ATOM 345 O ASN A 25 -0.882 13.758 1.638 1.00 0.00 O ATOM 346 CB ASN A 25 0.920 12.436 3.638 1.00 0.00 C ATOM 347 CG ASN A 25 -0.346 12.603 4.454 1.00 0.00 C ATOM 348 OD1 ASN A 25 -0.600 13.669 5.016 1.00 0.00 O ATOM 349 ND2 ASN A 25 -1.149 11.548 4.524 1.00 0.00 N ATOM 0 H ASN A 25 2.486 12.875 1.786 1.00 0.00 H new ATOM 0 HA ASN A 25 0.583 10.895 2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.569 11.707 4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.462 13.381 3.616 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.016 11.601 5.059 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.899 10.684 4.042 1.00 0.00 H new ATOM 356 N VAL A 26 -1.649 11.650 1.459 1.00 0.00 N ATOM 357 CA VAL A 26 -2.975 12.055 1.006 1.00 0.00 C ATOM 358 C VAL A 26 -4.060 11.518 1.933 1.00 0.00 C ATOM 359 O VAL A 26 -3.770 10.820 2.906 1.00 0.00 O ATOM 360 CB VAL A 26 -3.252 11.566 -0.428 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.245 12.162 -1.399 1.00 0.00 C ATOM 362 CG2 VAL A 26 -3.227 10.046 -0.486 1.00 0.00 C ATOM 0 H VAL A 26 -1.520 10.641 1.537 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.995 13.145 1.020 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.246 11.902 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.456 11.805 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.317 13.249 -1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.238 11.859 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.425 9.718 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.247 9.686 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.991 9.644 0.179 1.00 0.00 H new ATOM 372 N ASP A 27 -5.309 11.846 1.625 1.00 0.00 N ATOM 373 CA ASP A 27 -6.439 11.395 2.429 1.00 0.00 C ATOM 374 C ASP A 27 -7.275 10.371 1.667 1.00 0.00 C ATOM 375 O ASP A 27 -6.936 9.989 0.547 1.00 0.00 O ATOM 376 CB ASP A 27 -7.312 12.585 2.834 1.00 0.00 C ATOM 377 CG ASP A 27 -8.394 12.882 1.815 1.00 0.00 C ATOM 378 OD1 ASP A 27 -8.052 13.112 0.636 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.584 12.884 2.195 1.00 0.00 O ATOM 0 H ASP A 27 -5.565 12.423 0.824 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.046 10.920 3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.773 12.381 3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.684 13.467 2.960 1.00 0.00 H new ATOM 384 N ASP A 28 -8.366 9.931 2.283 1.00 0.00 N ATOM 385 CA ASP A 28 -9.251 8.951 1.662 1.00 0.00 C ATOM 386 C ASP A 28 -9.678 9.408 0.271 1.00 0.00 C ATOM 387 O ASP A 28 -9.771 8.603 -0.655 1.00 0.00 O ATOM 388 CB ASP A 28 -10.484 8.719 2.537 1.00 0.00 C ATOM 389 CG ASP A 28 -11.266 7.489 2.121 1.00 0.00 C ATOM 390 OD1 ASP A 28 -11.759 7.459 0.974 1.00 0.00 O ATOM 391 OD2 ASP A 28 -11.383 6.555 2.942 1.00 0.00 O ATOM 0 H ASP A 28 -8.659 10.237 3.211 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.703 8.014 1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.174 8.614 3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.133 9.593 2.485 1.00 0.00 H new ATOM 396 N GLU A 29 -9.937 10.705 0.133 1.00 0.00 N ATOM 397 CA GLU A 29 -10.356 11.268 -1.145 1.00 0.00 C ATOM 398 C GLU A 29 -9.218 11.219 -2.160 1.00 0.00 C ATOM 399 O GLU A 29 -9.434 10.937 -3.338 1.00 0.00 O ATOM 400 CB GLU A 29 -10.829 12.711 -0.961 1.00 0.00 C ATOM 401 CG GLU A 29 -11.857 12.879 0.145 1.00 0.00 C ATOM 402 CD GLU A 29 -13.280 12.698 -0.349 1.00 0.00 C ATOM 403 OE1 GLU A 29 -13.699 13.462 -1.243 1.00 0.00 O ATOM 404 OE2 GLU A 29 -13.974 11.792 0.159 1.00 0.00 O ATOM 0 H GLU A 29 -9.864 11.385 0.890 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.183 10.668 -1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.967 13.342 -0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.256 13.067 -1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.656 12.156 0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.753 13.871 0.586 1.00 0.00 H new ATOM 411 N GLY A 30 -8.004 11.496 -1.694 1.00 0.00 N ATOM 412 CA GLY A 30 -6.850 11.480 -2.573 1.00 0.00 C ATOM 413 C GLY A 30 -6.158 12.826 -2.647 1.00 0.00 C ATOM 414 O GLY A 30 -5.219 13.008 -3.422 1.00 0.00 O ATOM 0 H GLY A 30 -7.799 11.731 -0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.141 10.729 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.163 11.181 -3.573 1.00 0.00 H new ATOM 418 N VAL A 31 -6.622 13.774 -1.838 1.00 0.00 N ATOM 419 CA VAL A 31 -6.042 15.111 -1.815 1.00 0.00 C ATOM 420 C VAL A 31 -4.620 15.084 -1.265 1.00 0.00 C ATOM 421 O VAL A 31 -4.194 14.095 -0.670 1.00 0.00 O ATOM 422 CB VAL A 31 -6.890 16.076 -0.966 1.00 0.00 C ATOM 423 CG1 VAL A 31 -8.336 16.074 -1.439 1.00 0.00 C ATOM 424 CG2 VAL A 31 -6.803 15.708 0.507 1.00 0.00 C ATOM 0 H VAL A 31 -7.398 13.640 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.023 15.466 -2.846 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.493 17.084 -1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.920 16.762 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.378 16.390 -2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.747 15.069 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.408 16.401 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.173 14.693 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.765 15.766 0.836 1.00 0.00 H new ATOM 434 N GLU A 32 -3.892 16.177 -1.469 1.00 0.00 N ATOM 435 CA GLU A 32 -2.517 16.277 -0.993 1.00 0.00 C ATOM 436 C GLU A 32 -2.443 17.104 0.287 1.00 0.00 C ATOM 437 O GLU A 32 -2.717 18.305 0.281 1.00 0.00 O ATOM 438 CB GLU A 32 -1.626 16.902 -2.069 1.00 0.00 C ATOM 439 CG GLU A 32 -1.621 16.131 -3.378 1.00 0.00 C ATOM 440 CD GLU A 32 -0.684 16.734 -4.407 1.00 0.00 C ATOM 441 OE1 GLU A 32 0.546 16.609 -4.233 1.00 0.00 O ATOM 442 OE2 GLU A 32 -1.181 17.331 -5.385 1.00 0.00 O ATOM 0 H GLU A 32 -4.230 17.005 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.161 15.270 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.961 17.922 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.606 16.967 -1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.328 15.099 -3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.632 16.105 -3.784 1.00 0.00 H new ATOM 449 N LEU A 33 -2.072 16.454 1.384 1.00 0.00 N ATOM 450 CA LEU A 33 -1.963 17.127 2.674 1.00 0.00 C ATOM 451 C LEU A 33 -0.536 17.610 2.917 1.00 0.00 C ATOM 452 O LEU A 33 -0.295 18.803 3.092 1.00 0.00 O ATOM 453 CB LEU A 33 -2.395 16.188 3.801 1.00 0.00 C ATOM 454 CG LEU A 33 -3.695 15.417 3.571 1.00 0.00 C ATOM 455 CD1 LEU A 33 -3.948 14.445 4.713 1.00 0.00 C ATOM 456 CD2 LEU A 33 -4.865 16.378 3.417 1.00 0.00 C ATOM 0 H LEU A 33 -1.841 15.461 1.406 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.623 17.994 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.595 15.468 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.500 16.773 4.714 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.597 14.844 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.877 13.905 4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.123 13.736 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.025 14.997 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.782 15.812 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.965 16.978 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.687 17.034 2.565 1.00 0.00 H new ATOM 468 N GLY A 34 0.407 16.672 2.923 1.00 0.00 N ATOM 469 CA GLY A 34 1.798 17.021 3.143 1.00 0.00 C ATOM 470 C GLY A 34 2.744 16.200 2.289 1.00 0.00 C ATOM 471 O GLY A 34 2.493 15.024 2.028 1.00 0.00 O ATOM 0 H GLY A 34 0.232 15.677 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.943 18.079 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.044 16.875 4.195 1.00 0.00 H new ATOM 475 N SER A 35 3.834 16.821 1.851 1.00 0.00 N ATOM 476 CA SER A 35 4.819 16.142 1.017 1.00 0.00 C ATOM 477 C SER A 35 5.899 15.489 1.874 1.00 0.00 C ATOM 478 O SER A 35 6.250 15.991 2.940 1.00 0.00 O ATOM 479 CB SER A 35 5.456 17.129 0.037 1.00 0.00 C ATOM 480 OG SER A 35 6.153 18.153 0.726 1.00 0.00 O ATOM 0 H SER A 35 4.058 17.794 2.060 1.00 0.00 H new ATOM 0 HA SER A 35 4.306 15.362 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.142 16.599 -0.624 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.684 17.571 -0.593 1.00 0.00 H new ATOM 0 HG SER A 35 6.553 18.770 0.078 1.00 0.00 H new ATOM 486 N GLY A 36 6.422 14.363 1.398 1.00 0.00 N ATOM 487 CA GLY A 36 7.457 13.658 2.132 1.00 0.00 C ATOM 488 C GLY A 36 8.205 12.662 1.267 1.00 0.00 C ATOM 489 O GLY A 36 7.778 12.350 0.156 1.00 0.00 O ATOM 0 H GLY A 36 6.148 13.927 0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.163 14.380 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.008 13.136 2.977 1.00 0.00 H new ATOM 493 N VAL A 37 9.327 12.164 1.777 1.00 0.00 N ATOM 494 CA VAL A 37 10.137 11.198 1.044 1.00 0.00 C ATOM 495 C VAL A 37 10.297 9.904 1.833 1.00 0.00 C ATOM 496 O VAL A 37 10.766 9.912 2.971 1.00 0.00 O ATOM 497 CB VAL A 37 11.532 11.766 0.722 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.303 10.811 -0.176 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.412 13.138 0.075 1.00 0.00 C ATOM 0 H VAL A 37 9.696 12.413 2.695 1.00 0.00 H new ATOM 0 HA VAL A 37 9.614 10.989 0.111 1.00 0.00 H new ATOM 0 HB VAL A 37 12.085 11.876 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.286 11.229 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.420 9.852 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.756 10.667 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.407 13.524 -0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.841 13.055 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.902 13.818 0.757 1.00 0.00 H new ATOM 509 N MET A 38 9.905 8.791 1.220 1.00 0.00 N ATOM 510 CA MET A 38 10.007 7.487 1.865 1.00 0.00 C ATOM 511 C MET A 38 11.318 6.800 1.496 1.00 0.00 C ATOM 512 O MET A 38 11.615 6.602 0.319 1.00 0.00 O ATOM 513 CB MET A 38 8.824 6.603 1.466 1.00 0.00 C ATOM 514 CG MET A 38 8.844 5.231 2.119 1.00 0.00 C ATOM 515 SD MET A 38 7.189 4.574 2.404 1.00 0.00 S ATOM 516 CE MET A 38 6.458 5.900 3.360 1.00 0.00 C ATOM 0 H MET A 38 9.514 8.766 0.278 1.00 0.00 H new ATOM 0 HA MET A 38 9.989 7.640 2.944 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.896 7.110 1.732 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.821 6.481 0.383 1.00 0.00 H new ATOM 0 HG2 MET A 38 9.401 4.540 1.487 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.375 5.293 3.069 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.650 5.503 3.975 1.00 0.00 H new ATOM 0 HE2 MET A 38 7.217 6.347 4.002 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.061 6.659 2.686 1.00 0.00 H new ATOM 526 N GLU A 39 12.098 6.439 2.511 1.00 0.00 N ATOM 527 CA GLU A 39 13.377 5.774 2.291 1.00 0.00 C ATOM 528 C GLU A 39 13.311 4.311 2.721 1.00 0.00 C ATOM 529 O GLU A 39 12.840 3.994 3.814 1.00 0.00 O ATOM 530 CB GLU A 39 14.489 6.493 3.059 1.00 0.00 C ATOM 531 CG GLU A 39 15.855 5.847 2.898 1.00 0.00 C ATOM 532 CD GLU A 39 16.925 6.535 3.723 1.00 0.00 C ATOM 533 OE1 GLU A 39 16.571 7.384 4.566 1.00 0.00 O ATOM 534 OE2 GLU A 39 18.118 6.223 3.524 1.00 0.00 O ATOM 0 H GLU A 39 11.867 6.596 3.492 1.00 0.00 H new ATOM 0 HA GLU A 39 13.598 5.811 1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.543 7.527 2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.231 6.518 4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.794 4.799 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.142 5.869 1.847 1.00 0.00 H new ATOM 541 N LEU A 40 13.785 3.424 1.853 1.00 0.00 N ATOM 542 CA LEU A 40 13.781 1.994 2.142 1.00 0.00 C ATOM 543 C LEU A 40 15.159 1.526 2.596 1.00 0.00 C ATOM 544 O LEU A 40 15.990 1.121 1.782 1.00 0.00 O ATOM 545 CB LEU A 40 13.344 1.206 0.905 1.00 0.00 C ATOM 546 CG LEU A 40 11.836 1.096 0.678 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.249 2.454 0.324 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.534 0.081 -0.415 1.00 0.00 C ATOM 0 H LEU A 40 14.177 3.670 0.944 1.00 0.00 H new ATOM 0 HA LEU A 40 13.072 1.813 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.791 1.671 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.755 0.199 0.976 1.00 0.00 H new ATOM 0 HG LEU A 40 11.373 0.753 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.175 2.356 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.434 3.154 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.717 2.826 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.456 0.016 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.010 0.395 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.920 -0.895 -0.122 1.00 0.00 H new ATOM 560 N THR A 41 15.396 1.580 3.903 1.00 0.00 N ATOM 561 CA THR A 41 16.673 1.161 4.467 1.00 0.00 C ATOM 562 C THR A 41 16.533 -0.153 5.228 1.00 0.00 C ATOM 563 O THR A 41 15.585 -0.341 5.989 1.00 0.00 O ATOM 564 CB THR A 41 17.247 2.231 5.415 1.00 0.00 C ATOM 565 OG1 THR A 41 16.245 2.648 6.348 1.00 0.00 O ATOM 566 CG2 THR A 41 17.749 3.434 4.631 1.00 0.00 C ATOM 0 H THR A 41 14.719 1.910 4.591 1.00 0.00 H new ATOM 0 HA THR A 41 17.358 1.023 3.630 1.00 0.00 H new ATOM 0 HB THR A 41 18.086 1.793 5.956 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.463 2.062 6.272 1.00 0.00 H new ATOM 0 HG21 THR A 41 18.150 4.177 5.321 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.533 3.118 3.942 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.925 3.870 4.067 1.00 0.00 H new ATOM 574 N GLN A 42 17.484 -1.057 5.017 1.00 0.00 N ATOM 575 CA GLN A 42 17.466 -2.354 5.684 1.00 0.00 C ATOM 576 C GLN A 42 16.985 -2.218 7.125 1.00 0.00 C ATOM 577 O GLN A 42 16.412 -3.150 7.689 1.00 0.00 O ATOM 578 CB GLN A 42 18.859 -2.985 5.656 1.00 0.00 C ATOM 579 CG GLN A 42 19.136 -3.791 4.397 1.00 0.00 C ATOM 580 CD GLN A 42 20.614 -3.863 4.064 1.00 0.00 C ATOM 581 OE1 GLN A 42 21.378 -4.561 4.731 1.00 0.00 O ATOM 582 NE2 GLN A 42 21.024 -3.140 3.029 1.00 0.00 N ATOM 0 H GLN A 42 18.276 -0.916 4.390 1.00 0.00 H new ATOM 0 HA GLN A 42 16.771 -3.001 5.148 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.607 -2.198 5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.973 -3.633 6.525 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.746 -4.801 4.524 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.600 -3.345 3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 42 20.356 -2.576 2.504 1.00 0.00 H new ATOM 0 HE22 GLN A 42 22.007 -3.149 2.758 1.00 0.00 H new ATOM 591 N SER A 43 17.221 -1.051 7.715 1.00 0.00 N ATOM 592 CA SER A 43 16.816 -0.794 9.092 1.00 0.00 C ATOM 593 C SER A 43 15.296 -0.727 9.207 1.00 0.00 C ATOM 594 O SER A 43 14.679 -1.541 9.893 1.00 0.00 O ATOM 595 CB SER A 43 17.435 0.511 9.594 1.00 0.00 C ATOM 596 OG SER A 43 18.850 0.438 9.592 1.00 0.00 O ATOM 0 H SER A 43 17.691 -0.268 7.261 1.00 0.00 H new ATOM 0 HA SER A 43 17.174 -1.618 9.710 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.110 1.338 8.963 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.080 0.721 10.603 1.00 0.00 H new ATOM 0 HG SER A 43 19.222 1.285 9.915 1.00 0.00 H new ATOM 602 N GLU A 44 14.700 0.251 8.531 1.00 0.00 N ATOM 603 CA GLU A 44 13.253 0.425 8.558 1.00 0.00 C ATOM 604 C GLU A 44 12.820 1.528 7.596 1.00 0.00 C ATOM 605 O GLU A 44 13.649 2.141 6.922 1.00 0.00 O ATOM 606 CB GLU A 44 12.784 0.758 9.976 1.00 0.00 C ATOM 607 CG GLU A 44 13.428 2.007 10.553 1.00 0.00 C ATOM 608 CD GLU A 44 13.360 2.052 12.067 1.00 0.00 C ATOM 609 OE1 GLU A 44 12.302 1.690 12.624 1.00 0.00 O ATOM 610 OE2 GLU A 44 14.364 2.449 12.695 1.00 0.00 O ATOM 0 H GLU A 44 15.197 0.934 7.959 1.00 0.00 H new ATOM 0 HA GLU A 44 12.794 -0.511 8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.702 0.887 9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.001 -0.087 10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.471 2.052 10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.933 2.888 10.144 1.00 0.00 H new ATOM 617 N LEU A 45 11.516 1.773 7.536 1.00 0.00 N ATOM 618 CA LEU A 45 10.971 2.801 6.655 1.00 0.00 C ATOM 619 C LEU A 45 10.921 4.152 7.362 1.00 0.00 C ATOM 620 O LEU A 45 10.192 4.328 8.338 1.00 0.00 O ATOM 621 CB LEU A 45 9.570 2.407 6.185 1.00 0.00 C ATOM 622 CG LEU A 45 9.500 1.596 4.891 1.00 0.00 C ATOM 623 CD1 LEU A 45 8.082 1.105 4.644 1.00 0.00 C ATOM 624 CD2 LEU A 45 9.990 2.426 3.714 1.00 0.00 C ATOM 0 H LEU A 45 10.816 1.275 8.086 1.00 0.00 H new ATOM 0 HA LEU A 45 11.627 2.888 5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.091 1.832 6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.984 3.316 6.053 1.00 0.00 H new ATOM 0 HG LEU A 45 10.151 0.728 4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.052 0.530 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.766 0.473 5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.410 1.959 4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.933 1.833 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.366 3.313 3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.023 2.728 3.887 1.00 0.00 H new ATOM 636 N VAL A 46 11.701 5.105 6.860 1.00 0.00 N ATOM 637 CA VAL A 46 11.743 6.442 7.441 1.00 0.00 C ATOM 638 C VAL A 46 11.222 7.485 6.458 1.00 0.00 C ATOM 639 O VAL A 46 11.469 7.398 5.255 1.00 0.00 O ATOM 640 CB VAL A 46 13.173 6.824 7.866 1.00 0.00 C ATOM 641 CG1 VAL A 46 13.200 8.229 8.448 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.719 5.814 8.865 1.00 0.00 C ATOM 0 H VAL A 46 12.312 4.976 6.053 1.00 0.00 H new ATOM 0 HA VAL A 46 11.102 6.424 8.322 1.00 0.00 H new ATOM 0 HB VAL A 46 13.812 6.810 6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.219 8.481 8.743 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.852 8.940 7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.548 8.274 9.321 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.730 6.099 9.155 1.00 0.00 H new ATOM 0 HG22 VAL A 46 13.080 5.794 9.748 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.738 4.824 8.409 1.00 0.00 H new ATOM 652 N LEU A 47 10.499 8.471 6.978 1.00 0.00 N ATOM 653 CA LEU A 47 9.943 9.532 6.147 1.00 0.00 C ATOM 654 C LEU A 47 10.730 10.827 6.318 1.00 0.00 C ATOM 655 O LEU A 47 11.378 11.042 7.343 1.00 0.00 O ATOM 656 CB LEU A 47 8.473 9.766 6.500 1.00 0.00 C ATOM 657 CG LEU A 47 7.463 8.846 5.813 1.00 0.00 C ATOM 658 CD1 LEU A 47 6.058 9.117 6.327 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.524 9.022 4.302 1.00 0.00 C ATOM 0 H LEU A 47 10.284 8.557 7.971 1.00 0.00 H new ATOM 0 HA LEU A 47 10.015 9.219 5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.357 9.658 7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.221 10.797 6.254 1.00 0.00 H new ATOM 0 HG LEU A 47 7.721 7.814 6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.353 8.453 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.023 8.940 7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.789 10.153 6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.799 8.360 3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.292 10.056 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.525 8.776 3.947 1.00 0.00 H new ATOM 671 N HIS A 48 10.669 11.689 5.307 1.00 0.00 N ATOM 672 CA HIS A 48 11.374 12.965 5.346 1.00 0.00 C ATOM 673 C HIS A 48 10.453 14.108 4.933 1.00 0.00 C ATOM 674 O HIS A 48 10.013 14.181 3.784 1.00 0.00 O ATOM 675 CB HIS A 48 12.598 12.924 4.430 1.00 0.00 C ATOM 676 CG HIS A 48 13.534 11.794 4.732 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.520 11.869 5.693 1.00 0.00 N ATOM 678 CD2 HIS A 48 13.629 10.556 4.193 1.00 0.00 C ATOM 679 CE1 HIS A 48 15.182 10.727 5.731 1.00 0.00 C ATOM 680 NE2 HIS A 48 14.661 9.912 4.831 1.00 0.00 N ATOM 0 H HIS A 48 10.139 11.526 4.451 1.00 0.00 H new ATOM 0 HA HIS A 48 11.702 13.139 6.371 1.00 0.00 H new ATOM 0 HB2 HIS A 48 12.265 12.842 3.395 1.00 0.00 H new ATOM 0 HB3 HIS A 48 13.139 13.866 4.517 1.00 0.00 H new ATOM 0 HD2 HIS A 48 13.009 10.150 3.407 1.00 0.00 H new ATOM 0 HE1 HIS A 48 16.009 10.498 6.387 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.974 8.960 4.641 1.00 0.00 H new ATOM 689 N LEU A 49 10.164 14.999 5.875 1.00 0.00 N ATOM 690 CA LEU A 49 9.293 16.139 5.609 1.00 0.00 C ATOM 691 C LEU A 49 10.083 17.443 5.629 1.00 0.00 C ATOM 692 O LEU A 49 11.306 17.439 5.779 1.00 0.00 O ATOM 693 CB LEU A 49 8.165 16.197 6.641 1.00 0.00 C ATOM 694 CG LEU A 49 7.128 15.076 6.564 1.00 0.00 C ATOM 695 CD1 LEU A 49 7.604 13.854 7.332 1.00 0.00 C ATOM 696 CD2 LEU A 49 5.786 15.555 7.098 1.00 0.00 C ATOM 0 H LEU A 49 10.520 14.954 6.830 1.00 0.00 H new ATOM 0 HA LEU A 49 8.862 16.011 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.609 16.186 7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.649 17.151 6.532 1.00 0.00 H new ATOM 0 HG LEU A 49 7.002 14.795 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.853 13.067 7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.541 13.498 6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.760 14.119 8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.060 14.745 7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.897 15.864 8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.439 16.400 6.504 1.00 0.00 H new ATOM 789 N ALA A 54 10.537 13.324 11.635 1.00 0.00 N ATOM 790 CA ALA A 54 10.690 12.110 10.842 1.00 0.00 C ATOM 791 C ALA A 54 9.965 10.936 11.489 1.00 0.00 C ATOM 792 O ALA A 54 10.062 10.723 12.698 1.00 0.00 O ATOM 793 CB ALA A 54 12.165 11.784 10.655 1.00 0.00 C ATOM 0 HA ALA A 54 10.241 12.286 9.864 1.00 0.00 H new ATOM 0 HB1 ALA A 54 12.264 10.875 10.061 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.658 12.609 10.141 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.631 11.634 11.629 1.00 0.00 H new ATOM 799 N VAL A 55 9.237 10.175 10.677 1.00 0.00 N ATOM 800 CA VAL A 55 8.495 9.022 11.171 1.00 0.00 C ATOM 801 C VAL A 55 9.144 7.717 10.722 1.00 0.00 C ATOM 802 O VAL A 55 9.626 7.608 9.594 1.00 0.00 O ATOM 803 CB VAL A 55 7.032 9.047 10.690 1.00 0.00 C ATOM 804 CG1 VAL A 55 6.248 7.898 11.305 1.00 0.00 C ATOM 805 CG2 VAL A 55 6.386 10.383 11.022 1.00 0.00 C ATOM 0 H VAL A 55 9.146 10.337 9.674 1.00 0.00 H new ATOM 0 HA VAL A 55 8.512 9.078 12.259 1.00 0.00 H new ATOM 0 HB VAL A 55 7.021 8.923 9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.217 7.932 10.954 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.700 6.951 11.012 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.264 7.987 12.391 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.353 10.384 10.675 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.407 10.539 12.101 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.935 11.185 10.529 1.00 0.00 H new ATOM 815 N ARG A 56 9.153 6.730 11.611 1.00 0.00 N ATOM 816 CA ARG A 56 9.744 5.432 11.306 1.00 0.00 C ATOM 817 C ARG A 56 8.712 4.318 11.453 1.00 0.00 C ATOM 818 O ARG A 56 7.681 4.494 12.101 1.00 0.00 O ATOM 819 CB ARG A 56 10.936 5.162 12.226 1.00 0.00 C ATOM 820 CG ARG A 56 11.998 6.249 12.182 1.00 0.00 C ATOM 821 CD ARG A 56 12.851 6.246 13.440 1.00 0.00 C ATOM 822 NE ARG A 56 13.971 5.314 13.340 1.00 0.00 N ATOM 823 CZ ARG A 56 15.059 5.549 12.614 1.00 0.00 C ATOM 824 NH1 ARG A 56 15.172 6.678 11.929 1.00 0.00 N ATOM 825 NH2 ARG A 56 16.036 4.652 12.572 1.00 0.00 N ATOM 0 H ARG A 56 8.758 6.804 12.548 1.00 0.00 H new ATOM 0 HA ARG A 56 10.089 5.451 10.272 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.577 5.057 13.250 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.390 4.211 11.949 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.634 6.102 11.309 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.520 7.222 12.068 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.231 7.251 13.623 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.232 5.979 14.297 1.00 0.00 H new ATOM 0 HE ARG A 56 13.915 4.435 13.855 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.423 7.369 11.958 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.008 6.855 11.373 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.952 3.782 13.097 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.871 4.833 12.015 1.00 0.00 H new ATOM 839 N TRP A 57 8.998 3.171 10.846 1.00 0.00 N ATOM 840 CA TRP A 57 8.094 2.028 10.908 1.00 0.00 C ATOM 841 C TRP A 57 8.862 0.719 10.759 1.00 0.00 C ATOM 842 O TRP A 57 9.428 0.420 9.707 1.00 0.00 O ATOM 843 CB TRP A 57 7.027 2.135 9.817 1.00 0.00 C ATOM 844 CG TRP A 57 5.957 3.136 10.130 1.00 0.00 C ATOM 845 CD1 TRP A 57 4.971 3.017 11.067 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.765 4.409 9.502 1.00 0.00 C ATOM 847 NE1 TRP A 57 4.177 4.138 11.059 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.644 5.008 10.109 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.432 5.102 8.488 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.176 6.264 9.734 1.00 0.00 C ATOM 851 CZ3 TRP A 57 5.966 6.349 8.116 1.00 0.00 C ATOM 852 CH2 TRP A 57 4.848 6.920 8.738 1.00 0.00 C ATOM 0 H TRP A 57 9.848 3.008 10.306 1.00 0.00 H new ATOM 0 HA TRP A 57 7.607 2.033 11.883 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.505 2.407 8.876 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.568 1.157 9.670 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.835 2.167 11.719 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.370 4.297 11.663 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.296 4.671 8.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.314 6.705 10.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.473 6.893 7.332 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.510 7.897 8.426 1.00 0.00 H new ATOM 863 N PRO A 58 8.884 -0.081 11.835 1.00 0.00 N ATOM 864 CA PRO A 58 9.578 -1.372 11.848 1.00 0.00 C ATOM 865 C PRO A 58 8.889 -2.410 10.968 1.00 0.00 C ATOM 866 O PRO A 58 7.719 -2.733 11.173 1.00 0.00 O ATOM 867 CB PRO A 58 9.518 -1.793 13.318 1.00 0.00 C ATOM 868 CG PRO A 58 8.321 -1.093 13.864 1.00 0.00 C ATOM 869 CD PRO A 58 8.231 0.212 13.122 1.00 0.00 C ATOM 0 HA PRO A 58 10.591 -1.293 11.454 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.423 -2.874 13.417 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.424 -1.502 13.850 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.420 -1.688 13.717 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.422 -0.926 14.936 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.196 0.526 12.985 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.739 1.014 13.657 1.00 0.00 H new ATOM 877 N TYR A 59 9.622 -2.929 9.989 1.00 0.00 N ATOM 878 CA TYR A 59 9.081 -3.929 9.077 1.00 0.00 C ATOM 879 C TYR A 59 8.359 -5.033 9.845 1.00 0.00 C ATOM 880 O TYR A 59 7.454 -5.682 9.319 1.00 0.00 O ATOM 881 CB TYR A 59 10.199 -4.532 8.225 1.00 0.00 C ATOM 882 CG TYR A 59 10.894 -3.524 7.338 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.183 -2.794 6.393 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.262 -3.302 7.444 1.00 0.00 C ATOM 885 CE1 TYR A 59 10.815 -1.873 5.580 1.00 0.00 C ATOM 886 CE2 TYR A 59 12.901 -2.382 6.635 1.00 0.00 C ATOM 887 CZ TYR A 59 12.173 -1.671 5.705 1.00 0.00 C ATOM 888 OH TYR A 59 12.805 -0.753 4.897 1.00 0.00 O ATOM 0 H TYR A 59 10.593 -2.673 9.807 1.00 0.00 H new ATOM 0 HA TYR A 59 8.362 -3.436 8.423 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.936 -4.995 8.882 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.783 -5.325 7.603 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.119 -2.949 6.293 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.835 -3.858 8.171 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.248 -1.314 4.850 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.965 -2.221 6.731 1.00 0.00 H new ATOM 0 HH TYR A 59 13.708 -0.585 5.237 1.00 0.00 H new ATOM 898 N LEU A 60 8.767 -5.240 11.092 1.00 0.00 N ATOM 899 CA LEU A 60 8.160 -6.265 11.935 1.00 0.00 C ATOM 900 C LEU A 60 6.688 -5.957 12.192 1.00 0.00 C ATOM 901 O LEU A 60 5.832 -6.836 12.085 1.00 0.00 O ATOM 902 CB LEU A 60 8.911 -6.370 13.263 1.00 0.00 C ATOM 903 CG LEU A 60 8.953 -7.759 13.902 1.00 0.00 C ATOM 904 CD1 LEU A 60 10.016 -7.815 14.987 1.00 0.00 C ATOM 905 CD2 LEU A 60 7.590 -8.128 14.468 1.00 0.00 C ATOM 0 H LEU A 60 9.515 -4.712 11.542 1.00 0.00 H new ATOM 0 HA LEU A 60 8.226 -7.219 11.411 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.936 -6.033 13.106 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.454 -5.680 13.972 1.00 0.00 H new ATOM 0 HG LEU A 60 9.212 -8.485 13.131 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.031 -8.811 15.430 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.991 -7.596 14.552 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.789 -7.078 15.757 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.639 -9.119 14.918 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.301 -7.399 15.225 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.852 -8.130 13.666 1.00 0.00 H new ATOM 917 N CYS A 61 6.402 -4.705 12.530 1.00 0.00 N ATOM 918 CA CYS A 61 5.033 -4.280 12.801 1.00 0.00 C ATOM 919 C CYS A 61 4.211 -4.241 11.517 1.00 0.00 C ATOM 920 O CYS A 61 3.025 -4.576 11.515 1.00 0.00 O ATOM 921 CB CYS A 61 5.026 -2.904 13.467 1.00 0.00 C ATOM 922 SG CYS A 61 5.187 -1.523 12.310 1.00 0.00 S ATOM 0 H CYS A 61 7.099 -3.966 12.623 1.00 0.00 H new ATOM 0 HA CYS A 61 4.582 -5.005 13.478 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.098 -2.788 14.027 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.842 -2.857 14.188 1.00 0.00 H new ATOM 0 HG CYS A 61 6.239 -1.700 11.567 1.00 0.00 H new ATOM 928 N LEU A 62 4.847 -3.829 10.426 1.00 0.00 N ATOM 929 CA LEU A 62 4.175 -3.745 9.134 1.00 0.00 C ATOM 930 C LEU A 62 3.343 -4.996 8.870 1.00 0.00 C ATOM 931 O LEU A 62 3.843 -5.983 8.330 1.00 0.00 O ATOM 932 CB LEU A 62 5.200 -3.554 8.015 1.00 0.00 C ATOM 933 CG LEU A 62 5.566 -2.108 7.679 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.597 -2.064 6.563 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.324 -1.319 7.292 1.00 0.00 C ATOM 0 H LEU A 62 5.827 -3.548 10.410 1.00 0.00 H new ATOM 0 HA LEU A 62 3.506 -2.885 9.156 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.112 -4.084 8.291 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.816 -4.029 7.113 1.00 0.00 H new ATOM 0 HG LEU A 62 6.002 -1.648 8.566 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.845 -1.027 6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.497 -2.592 6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.189 -2.541 5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.604 -0.292 7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.859 -1.778 6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.618 -1.321 8.123 1.00 0.00 H new ATOM 947 N ARG A 63 2.072 -4.947 9.253 1.00 0.00 N ATOM 948 CA ARG A 63 1.171 -6.076 9.057 1.00 0.00 C ATOM 949 C ARG A 63 1.167 -6.522 7.598 1.00 0.00 C ATOM 950 O ARG A 63 1.430 -7.685 7.293 1.00 0.00 O ATOM 951 CB ARG A 63 -0.249 -5.705 9.491 1.00 0.00 C ATOM 952 CG ARG A 63 -1.205 -6.886 9.521 1.00 0.00 C ATOM 953 CD ARG A 63 -2.539 -6.507 10.145 1.00 0.00 C ATOM 954 NE ARG A 63 -3.509 -7.595 10.066 1.00 0.00 N ATOM 955 CZ ARG A 63 -4.787 -7.467 10.407 1.00 0.00 C ATOM 956 NH1 ARG A 63 -5.245 -6.304 10.848 1.00 0.00 N ATOM 957 NH2 ARG A 63 -5.608 -8.504 10.306 1.00 0.00 N ATOM 0 H ARG A 63 1.643 -4.137 9.701 1.00 0.00 H new ATOM 0 HA ARG A 63 1.527 -6.903 9.671 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.211 -5.254 10.483 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.641 -4.948 8.812 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.367 -7.250 8.507 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.757 -7.704 10.086 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.386 -6.233 11.189 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.939 -5.628 9.640 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.188 -8.503 9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.616 -5.505 10.926 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.226 -6.208 11.109 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.258 -9.400 9.967 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.589 -8.405 10.568 1.00 0.00 H new ATOM 971 N ARG A 64 0.867 -5.589 6.700 1.00 0.00 N ATOM 972 CA ARG A 64 0.828 -5.886 5.273 1.00 0.00 C ATOM 973 C ARG A 64 1.204 -4.656 4.451 1.00 0.00 C ATOM 974 O ARG A 64 1.247 -3.540 4.970 1.00 0.00 O ATOM 975 CB ARG A 64 -0.564 -6.375 4.871 1.00 0.00 C ATOM 976 CG ARG A 64 -1.533 -5.252 4.541 1.00 0.00 C ATOM 977 CD ARG A 64 -2.815 -5.786 3.921 1.00 0.00 C ATOM 978 NE ARG A 64 -3.556 -6.639 4.847 1.00 0.00 N ATOM 979 CZ ARG A 64 -4.771 -7.114 4.596 1.00 0.00 C ATOM 980 NH1 ARG A 64 -5.378 -6.821 3.454 1.00 0.00 N ATOM 981 NH2 ARG A 64 -5.381 -7.884 5.488 1.00 0.00 N ATOM 0 H ARG A 64 0.647 -4.621 6.935 1.00 0.00 H new ATOM 0 HA ARG A 64 1.555 -6.673 5.071 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.473 -7.031 4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.978 -6.974 5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.770 -4.697 5.448 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.059 -4.552 3.853 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.445 -4.951 3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.574 -6.351 3.021 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.117 -6.883 5.735 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.912 -6.230 2.766 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.311 -7.187 3.264 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.917 -8.112 6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.314 -8.248 5.294 1.00 0.00 H new ATOM 995 N TYR A 65 1.475 -4.869 3.169 1.00 0.00 N ATOM 996 CA TYR A 65 1.850 -3.779 2.276 1.00 0.00 C ATOM 997 C TYR A 65 1.383 -4.057 0.850 1.00 0.00 C ATOM 998 O TYR A 65 1.565 -5.156 0.329 1.00 0.00 O ATOM 999 CB TYR A 65 3.366 -3.573 2.297 1.00 0.00 C ATOM 1000 CG TYR A 65 4.153 -4.857 2.173 1.00 0.00 C ATOM 1001 CD1 TYR A 65 4.140 -5.804 3.190 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.911 -5.124 1.039 1.00 0.00 C ATOM 1003 CE1 TYR A 65 4.859 -6.979 3.081 1.00 0.00 C ATOM 1004 CE2 TYR A 65 5.631 -6.297 0.921 1.00 0.00 C ATOM 1005 CZ TYR A 65 5.602 -7.221 1.945 1.00 0.00 C ATOM 1006 OH TYR A 65 6.319 -8.390 1.832 1.00 0.00 O ATOM 0 H TYR A 65 1.442 -5.786 2.724 1.00 0.00 H new ATOM 0 HA TYR A 65 1.361 -2.871 2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.645 -2.906 1.482 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.644 -3.075 3.226 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.558 -5.618 4.081 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.938 -4.402 0.236 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.839 -7.704 3.881 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.213 -6.490 0.032 1.00 0.00 H new ATOM 0 HH TYR A 65 5.705 -9.153 1.850 1.00 0.00 H new ATOM 1016 N GLY A 66 0.780 -3.050 0.225 1.00 0.00 N ATOM 1017 CA GLY A 66 0.296 -3.205 -1.134 1.00 0.00 C ATOM 1018 C GLY A 66 0.851 -2.150 -2.071 1.00 0.00 C ATOM 1019 O GLY A 66 1.774 -1.418 -1.714 1.00 0.00 O ATOM 0 H GLY A 66 0.618 -2.130 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.569 -4.194 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.793 -3.153 -1.137 1.00 0.00 H new ATOM 1023 N TYR A 67 0.290 -2.074 -3.272 1.00 0.00 N ATOM 1024 CA TYR A 67 0.738 -1.104 -4.265 1.00 0.00 C ATOM 1025 C TYR A 67 -0.327 -0.890 -5.336 1.00 0.00 C ATOM 1026 O TYR A 67 -1.124 -1.784 -5.622 1.00 0.00 O ATOM 1027 CB TYR A 67 2.043 -1.571 -4.912 1.00 0.00 C ATOM 1028 CG TYR A 67 1.838 -2.525 -6.066 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.570 -3.870 -5.843 1.00 0.00 C ATOM 1030 CD2 TYR A 67 1.912 -2.082 -7.381 1.00 0.00 C ATOM 1031 CE1 TYR A 67 1.384 -4.746 -6.894 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.725 -2.951 -8.439 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.462 -4.282 -8.191 1.00 0.00 C ATOM 1034 OH TYR A 67 1.275 -5.151 -9.241 1.00 0.00 O ATOM 0 H TYR A 67 -0.476 -2.672 -3.582 1.00 0.00 H new ATOM 0 HA TYR A 67 0.912 -0.155 -3.757 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.596 -0.700 -5.265 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.661 -2.056 -4.156 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.506 -4.237 -4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.119 -1.041 -7.580 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.179 -5.789 -6.702 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.784 -2.590 -9.455 1.00 0.00 H new ATOM 0 HH TYR A 67 2.024 -5.072 -9.868 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.332 0.300 -5.926 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.297 0.633 -6.968 1.00 0.00 C ATOM 1046 C ASP A 68 -0.678 1.565 -8.004 1.00 0.00 C ATOM 1047 O ASP A 68 0.411 2.102 -7.799 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.538 1.283 -6.355 1.00 0.00 C ATOM 1049 CG ASP A 68 -3.763 1.140 -7.237 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -4.077 -0.002 -7.636 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.407 2.169 -7.528 1.00 0.00 O ATOM 0 H ASP A 68 0.321 1.050 -5.701 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.590 -0.291 -7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.739 0.831 -5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.341 2.341 -6.180 1.00 0.00 H new ATOM 1056 N SER A 69 -1.378 1.752 -9.118 1.00 0.00 N ATOM 1057 CA SER A 69 -0.895 2.616 -10.189 1.00 0.00 C ATOM 1058 C SER A 69 -0.432 3.960 -9.636 1.00 0.00 C ATOM 1059 O SER A 69 0.701 4.381 -9.866 1.00 0.00 O ATOM 1060 CB SER A 69 -1.992 2.832 -11.233 1.00 0.00 C ATOM 1061 OG SER A 69 -1.486 3.507 -12.372 1.00 0.00 O ATOM 0 H SER A 69 -2.282 1.317 -9.303 1.00 0.00 H new ATOM 0 HA SER A 69 -0.045 2.125 -10.662 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.409 1.870 -11.532 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.806 3.410 -10.796 1.00 0.00 H new ATOM 0 HG SER A 69 -2.206 3.631 -13.025 1.00 0.00 H new ATOM 1067 N ASN A 70 -1.317 4.629 -8.904 1.00 0.00 N ATOM 1068 CA ASN A 70 -1.001 5.926 -8.318 1.00 0.00 C ATOM 1069 C ASN A 70 -1.421 5.977 -6.852 1.00 0.00 C ATOM 1070 O ASN A 70 -1.866 7.014 -6.358 1.00 0.00 O ATOM 1071 CB ASN A 70 -1.694 7.045 -9.098 1.00 0.00 C ATOM 1072 CG ASN A 70 -3.204 6.903 -9.094 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -3.738 5.830 -9.376 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -3.899 7.988 -8.774 1.00 0.00 N ATOM 0 H ASN A 70 -2.259 4.294 -8.703 1.00 0.00 H new ATOM 0 HA ASN A 70 0.078 6.069 -8.374 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -1.421 8.008 -8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.334 7.044 -10.127 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.918 7.954 -8.755 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.414 8.856 -8.547 1.00 0.00 H new ATOM 1081 N LEU A 71 -1.277 4.852 -6.161 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.642 4.767 -4.751 1.00 0.00 C ATOM 1083 C LEU A 71 -0.752 3.769 -4.018 1.00 0.00 C ATOM 1084 O LEU A 71 -0.561 2.641 -4.473 1.00 0.00 O ATOM 1085 CB LEU A 71 -3.110 4.362 -4.606 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.807 4.815 -3.323 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -3.279 4.040 -2.126 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -3.623 6.311 -3.116 1.00 0.00 C ATOM 0 H LEU A 71 -0.910 3.985 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.498 5.751 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.662 4.762 -5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.174 3.276 -4.667 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.873 4.610 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.787 4.376 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.464 2.976 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.207 4.212 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.126 6.616 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.560 6.540 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.051 6.851 -3.961 1.00 0.00 H new ATOM 1100 N PHE A 72 -0.212 4.190 -2.879 1.00 0.00 N ATOM 1101 CA PHE A 72 0.656 3.332 -2.081 1.00 0.00 C ATOM 1102 C PHE A 72 0.375 3.508 -0.592 1.00 0.00 C ATOM 1103 O PHE A 72 0.574 4.588 -0.035 1.00 0.00 O ATOM 1104 CB PHE A 72 2.125 3.644 -2.375 1.00 0.00 C ATOM 1105 CG PHE A 72 3.084 2.918 -1.474 1.00 0.00 C ATOM 1106 CD1 PHE A 72 2.925 1.566 -1.218 1.00 0.00 C ATOM 1107 CD2 PHE A 72 4.143 3.588 -0.884 1.00 0.00 C ATOM 1108 CE1 PHE A 72 3.805 0.896 -0.389 1.00 0.00 C ATOM 1109 CE2 PHE A 72 5.026 2.924 -0.054 1.00 0.00 C ATOM 1110 CZ PHE A 72 4.858 1.575 0.193 1.00 0.00 C ATOM 0 H PHE A 72 -0.360 5.120 -2.488 1.00 0.00 H new ATOM 0 HA PHE A 72 0.450 2.296 -2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.343 3.383 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.287 4.717 -2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.104 1.030 -1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.280 4.642 -1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.669 -0.158 -0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.846 3.459 0.401 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.548 1.053 0.839 1.00 0.00 H new ATOM 1120 N SER A 73 -0.089 2.439 0.047 1.00 0.00 N ATOM 1121 CA SER A 73 -0.402 2.475 1.471 1.00 0.00 C ATOM 1122 C SER A 73 0.162 1.250 2.183 1.00 0.00 C ATOM 1123 O SER A 73 0.607 0.296 1.543 1.00 0.00 O ATOM 1124 CB SER A 73 -1.916 2.548 1.680 1.00 0.00 C ATOM 1125 OG SER A 73 -2.240 2.563 3.059 1.00 0.00 O ATOM 0 H SER A 73 -0.257 1.537 -0.399 1.00 0.00 H new ATOM 0 HA SER A 73 0.060 3.366 1.897 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.310 3.444 1.201 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.394 1.694 1.200 1.00 0.00 H new ATOM 0 HG SER A 73 -1.711 3.253 3.512 1.00 0.00 H new ATOM 1131 N PHE A 74 0.141 1.283 3.511 1.00 0.00 N ATOM 1132 CA PHE A 74 0.651 0.176 4.311 1.00 0.00 C ATOM 1133 C PHE A 74 0.001 0.158 5.692 1.00 0.00 C ATOM 1134 O PHE A 74 -0.295 1.207 6.262 1.00 0.00 O ATOM 1135 CB PHE A 74 2.171 0.279 4.452 1.00 0.00 C ATOM 1136 CG PHE A 74 2.631 1.572 5.061 1.00 0.00 C ATOM 1137 CD1 PHE A 74 2.437 1.826 6.409 1.00 0.00 C ATOM 1138 CD2 PHE A 74 3.256 2.535 4.285 1.00 0.00 C ATOM 1139 CE1 PHE A 74 2.859 3.016 6.973 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.681 3.726 4.843 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.480 3.967 6.188 1.00 0.00 C ATOM 0 H PHE A 74 -0.224 2.064 4.056 1.00 0.00 H new ATOM 0 HA PHE A 74 0.402 -0.754 3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.528 -0.549 5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.627 0.167 3.468 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.950 1.086 7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.413 2.353 3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.703 3.201 8.026 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.170 4.467 4.228 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.808 4.898 6.625 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.217 -1.042 6.221 1.00 0.00 N ATOM 1152 CA GLU A 75 -0.833 -1.196 7.534 1.00 0.00 C ATOM 1153 C GLU A 75 0.227 -1.419 8.609 1.00 0.00 C ATOM 1154 O GLU A 75 1.318 -1.914 8.327 1.00 0.00 O ATOM 1155 CB GLU A 75 -1.820 -2.366 7.524 1.00 0.00 C ATOM 1156 CG GLU A 75 -2.780 -2.342 6.347 1.00 0.00 C ATOM 1157 CD GLU A 75 -3.679 -3.563 6.302 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -3.693 -4.326 7.291 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -4.367 -3.754 5.278 1.00 0.00 O ATOM 0 H GLU A 75 0.023 -1.920 5.761 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.372 -0.277 7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.261 -3.302 7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.394 -2.354 8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.396 -1.444 6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.210 -2.280 5.420 1.00 0.00 H new ATOM 1166 N SER A 76 -0.104 -1.050 9.843 1.00 0.00 N ATOM 1167 CA SER A 76 0.820 -1.205 10.960 1.00 0.00 C ATOM 1168 C SER A 76 0.062 -1.343 12.277 1.00 0.00 C ATOM 1169 O SER A 76 -1.054 -0.845 12.418 1.00 0.00 O ATOM 1170 CB SER A 76 1.774 -0.011 11.030 1.00 0.00 C ATOM 1171 OG SER A 76 1.063 1.199 11.221 1.00 0.00 O ATOM 0 H SER A 76 -1.005 -0.642 10.094 1.00 0.00 H new ATOM 0 HA SER A 76 1.399 -2.114 10.797 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.481 -0.154 11.847 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.357 0.047 10.111 1.00 0.00 H new ATOM 0 HG SER A 76 1.246 1.548 12.119 1.00 0.00 H new ATOM 1177 N GLY A 77 0.677 -2.024 13.239 1.00 0.00 N ATOM 1178 CA GLY A 77 0.047 -2.215 14.532 1.00 0.00 C ATOM 1179 C GLY A 77 0.026 -0.947 15.361 1.00 0.00 C ATOM 1180 O GLY A 77 0.011 0.158 14.817 1.00 0.00 O ATOM 0 H GLY A 77 1.601 -2.447 13.146 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.974 -2.567 14.386 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.577 -2.994 15.079 1.00 0.00 H new ATOM 1184 N ARG A 78 0.024 -1.104 16.681 1.00 0.00 N ATOM 1185 CA ARG A 78 0.002 0.039 17.586 1.00 0.00 C ATOM 1186 C ARG A 78 1.362 0.234 18.249 1.00 0.00 C ATOM 1187 O ARG A 78 1.706 1.338 18.669 1.00 0.00 O ATOM 1188 CB ARG A 78 -1.076 -0.152 18.655 1.00 0.00 C ATOM 1189 CG ARG A 78 -0.575 -0.856 19.906 1.00 0.00 C ATOM 1190 CD ARG A 78 -0.039 0.135 20.927 1.00 0.00 C ATOM 1191 NE ARG A 78 -1.079 0.589 21.846 1.00 0.00 N ATOM 1192 CZ ARG A 78 -0.951 1.650 22.636 1.00 0.00 C ATOM 1193 NH1 ARG A 78 0.167 2.362 22.617 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -1.942 2.000 23.445 1.00 0.00 N ATOM 0 H ARG A 78 0.037 -2.011 17.147 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.228 0.930 17.001 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.477 0.823 18.933 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.899 -0.726 18.230 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.386 -1.433 20.349 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.210 -1.563 19.637 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.768 -0.329 21.494 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.388 0.994 20.409 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.952 0.063 21.884 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.931 2.096 21.995 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.264 3.176 23.224 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.804 1.455 23.461 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.842 2.815 24.051 1.00 0.00 H new ATOM 1208 N ARG A 79 2.131 -0.846 18.338 1.00 0.00 N ATOM 1209 CA ARG A 79 3.453 -0.795 18.951 1.00 0.00 C ATOM 1210 C ARG A 79 4.319 0.272 18.287 1.00 0.00 C ATOM 1211 O ARG A 79 5.318 0.716 18.853 1.00 0.00 O ATOM 1212 CB ARG A 79 4.139 -2.158 18.850 1.00 0.00 C ATOM 1213 CG ARG A 79 4.328 -2.641 17.422 1.00 0.00 C ATOM 1214 CD ARG A 79 4.486 -4.153 17.361 1.00 0.00 C ATOM 1215 NE ARG A 79 5.779 -4.589 17.882 1.00 0.00 N ATOM 1216 CZ ARG A 79 6.276 -5.806 17.690 1.00 0.00 C ATOM 1217 NH1 ARG A 79 5.591 -6.703 16.994 1.00 0.00 N ATOM 1218 NH2 ARG A 79 7.459 -6.128 18.196 1.00 0.00 N ATOM 0 H ARG A 79 1.861 -1.767 17.993 1.00 0.00 H new ATOM 0 HA ARG A 79 3.328 -0.536 20.002 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.112 -2.102 19.337 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.550 -2.893 19.398 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.472 -2.339 16.818 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.208 -2.164 16.989 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.687 -4.624 17.933 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.379 -4.487 16.329 1.00 0.00 H new ATOM 0 HE ARG A 79 6.330 -3.923 18.423 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.680 -6.459 16.605 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.975 -7.637 16.848 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.988 -5.441 18.733 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.840 -7.063 18.048 1.00 0.00 H new ATOM 1232 N CYS A 80 3.928 0.679 17.084 1.00 0.00 N ATOM 1233 CA CYS A 80 4.669 1.693 16.342 1.00 0.00 C ATOM 1234 C CYS A 80 4.462 3.075 16.955 1.00 0.00 C ATOM 1235 O CYS A 80 3.413 3.356 17.534 1.00 0.00 O ATOM 1236 CB CYS A 80 4.234 1.702 14.876 1.00 0.00 C ATOM 1237 SG CYS A 80 2.443 1.628 14.637 1.00 0.00 S ATOM 0 H CYS A 80 3.103 0.323 16.602 1.00 0.00 H new ATOM 0 HA CYS A 80 5.729 1.446 16.397 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.616 2.605 14.400 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.693 0.855 14.367 1.00 0.00 H new ATOM 0 HG CYS A 80 2.013 0.439 14.940 1.00 0.00 H new ATOM 1243 N GLN A 81 5.469 3.932 16.823 1.00 0.00 N ATOM 1244 CA GLN A 81 5.398 5.283 17.366 1.00 0.00 C ATOM 1245 C GLN A 81 4.032 5.906 17.098 1.00 0.00 C ATOM 1246 O GLN A 81 3.261 6.161 18.024 1.00 0.00 O ATOM 1247 CB GLN A 81 6.498 6.157 16.761 1.00 0.00 C ATOM 1248 CG GLN A 81 6.142 7.634 16.712 1.00 0.00 C ATOM 1249 CD GLN A 81 7.298 8.497 16.245 1.00 0.00 C ATOM 1250 OE1 GLN A 81 8.412 8.394 16.760 1.00 0.00 O ATOM 1251 NE2 GLN A 81 7.039 9.355 15.266 1.00 0.00 N ATOM 0 H GLN A 81 6.343 3.715 16.345 1.00 0.00 H new ATOM 0 HA GLN A 81 5.544 5.222 18.444 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.412 6.031 17.342 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.712 5.809 15.750 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.293 7.777 16.043 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.826 7.961 17.703 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.101 9.407 14.868 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.778 9.962 14.911 1.00 0.00 H new ATOM 1260 N THR A 82 3.737 6.150 15.825 1.00 0.00 N ATOM 1261 CA THR A 82 2.465 6.744 15.435 1.00 0.00 C ATOM 1262 C THR A 82 1.298 6.047 16.125 1.00 0.00 C ATOM 1263 O THR A 82 0.508 6.682 16.822 1.00 0.00 O ATOM 1264 CB THR A 82 2.259 6.679 13.910 1.00 0.00 C ATOM 1265 OG1 THR A 82 2.142 5.315 13.489 1.00 0.00 O ATOM 1266 CG2 THR A 82 3.415 7.343 13.178 1.00 0.00 C ATOM 0 H THR A 82 4.363 5.945 15.046 1.00 0.00 H new ATOM 0 HA THR A 82 2.495 7.788 15.746 1.00 0.00 H new ATOM 0 HB THR A 82 1.341 7.214 13.667 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.853 5.285 12.553 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.247 7.284 12.103 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.483 8.389 13.478 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.345 6.833 13.428 1.00 0.00 H new ATOM 1274 N GLY A 83 1.197 4.736 15.926 1.00 0.00 N ATOM 1275 CA GLY A 83 0.123 3.974 16.537 1.00 0.00 C ATOM 1276 C GLY A 83 -0.777 3.315 15.510 1.00 0.00 C ATOM 1277 O GLY A 83 -0.649 3.566 14.312 1.00 0.00 O ATOM 0 H GLY A 83 1.839 4.188 15.353 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.548 3.209 17.187 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.473 4.633 17.168 1.00 0.00 H new ATOM 1281 N GLN A 84 -1.688 2.470 15.981 1.00 0.00 N ATOM 1282 CA GLN A 84 -2.611 1.771 15.094 1.00 0.00 C ATOM 1283 C GLN A 84 -3.251 2.738 14.103 1.00 0.00 C ATOM 1284 O GLN A 84 -3.697 3.822 14.477 1.00 0.00 O ATOM 1285 CB GLN A 84 -3.696 1.064 15.907 1.00 0.00 C ATOM 1286 CG GLN A 84 -4.485 1.997 16.811 1.00 0.00 C ATOM 1287 CD GLN A 84 -5.741 1.352 17.363 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -6.237 0.366 16.817 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -6.263 1.907 18.451 1.00 0.00 N ATOM 0 H GLN A 84 -1.807 2.253 16.970 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.044 1.027 14.534 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.384 0.566 15.224 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.234 0.287 16.516 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.852 2.316 17.639 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.757 2.893 16.253 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.818 2.724 18.870 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.108 1.517 18.867 1.00 0.00 H new ATOM 1298 N GLY A 85 -3.291 2.338 12.835 1.00 0.00 N ATOM 1299 CA GLY A 85 -3.878 3.181 11.810 1.00 0.00 C ATOM 1300 C GLY A 85 -3.171 3.048 10.475 1.00 0.00 C ATOM 1301 O GLY A 85 -1.955 2.864 10.425 1.00 0.00 O ATOM 0 H GLY A 85 -2.928 1.446 12.500 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.930 2.921 11.688 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.842 4.221 12.135 1.00 0.00 H new ATOM 1305 N ILE A 86 -3.935 3.138 9.392 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.375 3.025 8.051 1.00 0.00 C ATOM 1307 C ILE A 86 -3.074 4.399 7.463 1.00 0.00 C ATOM 1308 O ILE A 86 -3.734 5.385 7.794 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.327 2.271 7.104 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -4.529 0.833 7.587 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -3.783 2.287 5.683 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -5.666 0.117 6.894 1.00 0.00 C ATOM 0 H ILE A 86 -4.943 3.289 9.417 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.447 2.461 8.144 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.294 2.775 7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.608 0.273 7.429 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.717 0.842 8.661 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.467 1.750 5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.686 3.318 5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.806 1.805 5.662 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.751 -0.896 7.286 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.597 0.654 7.073 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.471 0.076 5.822 1.00 0.00 H new ATOM 1324 N PHE A 87 -2.076 4.458 6.588 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.689 5.711 5.952 1.00 0.00 C ATOM 1326 C PHE A 87 -1.345 5.492 4.482 1.00 0.00 C ATOM 1327 O PHE A 87 -0.494 4.667 4.149 1.00 0.00 O ATOM 1328 CB PHE A 87 -0.493 6.329 6.681 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.527 6.124 8.168 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -1.240 6.987 8.984 1.00 0.00 C ATOM 1331 CD2 PHE A 87 0.156 5.069 8.751 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -1.274 6.802 10.353 1.00 0.00 C ATOM 1333 CE2 PHE A 87 0.126 4.878 10.120 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.589 5.746 10.922 1.00 0.00 C ATOM 0 H PHE A 87 -1.520 3.652 6.303 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.535 6.396 6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.426 5.899 6.284 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.462 7.398 6.470 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.776 7.815 8.545 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.718 4.388 8.129 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.835 7.482 10.977 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.661 4.051 10.562 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.612 5.599 11.992 1.00 0.00 H new ATOM 1344 N ALA A 88 -2.013 6.237 3.607 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.777 6.126 2.173 1.00 0.00 C ATOM 1346 C ALA A 88 -0.867 7.244 1.677 1.00 0.00 C ATOM 1347 O ALA A 88 -0.768 8.300 2.302 1.00 0.00 O ATOM 1348 CB ALA A 88 -3.099 6.145 1.418 1.00 0.00 C ATOM 0 H ALA A 88 -2.721 6.923 3.866 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.276 5.176 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.908 6.061 0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.716 5.307 1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.621 7.080 1.622 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.202 7.004 0.552 1.00 0.00 N ATOM 1355 CA PHE A 89 0.703 7.991 -0.026 1.00 0.00 C ATOM 1356 C PHE A 89 0.727 7.881 -1.548 1.00 0.00 C ATOM 1357 O PHE A 89 0.881 6.792 -2.101 1.00 0.00 O ATOM 1358 CB PHE A 89 2.116 7.808 0.532 1.00 0.00 C ATOM 1359 CG PHE A 89 2.158 7.683 2.028 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.916 6.464 2.642 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.439 8.783 2.822 1.00 0.00 C ATOM 1362 CE1 PHE A 89 1.953 6.346 4.018 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.478 8.671 4.199 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.235 7.451 4.798 1.00 0.00 C ATOM 0 H PHE A 89 -0.273 6.135 0.022 1.00 0.00 H new ATOM 0 HA PHE A 89 0.339 8.982 0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.561 6.917 0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.730 8.656 0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.696 5.596 2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.630 9.740 2.359 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.762 5.391 4.484 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.698 9.537 4.806 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.265 7.361 5.874 1.00 0.00 H new ATOM 1374 N LYS A 90 0.573 9.017 -2.220 1.00 0.00 N ATOM 1375 CA LYS A 90 0.578 9.051 -3.677 1.00 0.00 C ATOM 1376 C LYS A 90 2.004 9.075 -4.217 1.00 0.00 C ATOM 1377 O LYS A 90 2.770 9.998 -3.934 1.00 0.00 O ATOM 1378 CB LYS A 90 -0.190 10.275 -4.182 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.674 10.023 -4.380 1.00 0.00 C ATOM 1380 CD LYS A 90 -2.335 11.157 -5.146 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.828 10.921 -5.313 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.110 9.703 -6.122 1.00 0.00 N ATOM 0 H LYS A 90 0.443 9.927 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 90 0.087 8.147 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.060 11.093 -3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.244 10.601 -5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.816 9.087 -4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.157 9.908 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.171 12.097 -4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.869 11.255 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.292 10.821 -4.332 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.281 11.789 -5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.876 9.904 -6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.253 9.426 -6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.398 8.927 -5.492 1.00 0.00 H new ATOM 1396 N CYS A 91 2.355 8.056 -4.994 1.00 0.00 N ATOM 1397 CA CYS A 91 3.690 7.961 -5.574 1.00 0.00 C ATOM 1398 C CYS A 91 3.616 7.600 -7.054 1.00 0.00 C ATOM 1399 O CYS A 91 2.629 7.026 -7.514 1.00 0.00 O ATOM 1400 CB CYS A 91 4.521 6.919 -4.823 1.00 0.00 C ATOM 1401 SG CYS A 91 6.300 7.036 -5.127 1.00 0.00 S ATOM 0 H CYS A 91 1.734 7.284 -5.237 1.00 0.00 H new ATOM 0 HA CYS A 91 4.170 8.935 -5.481 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.338 7.026 -3.754 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.179 5.924 -5.107 1.00 0.00 H new ATOM 0 HG CYS A 91 6.728 8.205 -4.753 1.00 0.00 H new ATOM 1407 N SER A 92 4.665 7.941 -7.794 1.00 0.00 N ATOM 1408 CA SER A 92 4.717 7.658 -9.224 1.00 0.00 C ATOM 1409 C SER A 92 5.266 6.258 -9.480 1.00 0.00 C ATOM 1410 O SER A 92 4.894 5.602 -10.454 1.00 0.00 O ATOM 1411 CB SER A 92 5.582 8.696 -9.940 1.00 0.00 C ATOM 1412 OG SER A 92 5.623 8.451 -11.335 1.00 0.00 O ATOM 0 H SER A 92 5.491 8.414 -7.428 1.00 0.00 H new ATOM 0 HA SER A 92 3.702 7.709 -9.617 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.186 9.694 -9.754 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.593 8.674 -9.534 1.00 0.00 H new ATOM 0 HG SER A 92 6.181 9.129 -11.770 1.00 0.00 H new ATOM 1418 N ARG A 93 6.153 5.806 -8.600 1.00 0.00 N ATOM 1419 CA ARG A 93 6.756 4.485 -8.731 1.00 0.00 C ATOM 1420 C ARG A 93 6.402 3.606 -7.535 1.00 0.00 C ATOM 1421 O ARG A 93 7.282 3.034 -6.891 1.00 0.00 O ATOM 1422 CB ARG A 93 8.276 4.604 -8.859 1.00 0.00 C ATOM 1423 CG ARG A 93 8.962 5.044 -7.575 1.00 0.00 C ATOM 1424 CD ARG A 93 10.229 5.834 -7.864 1.00 0.00 C ATOM 1425 NE ARG A 93 9.972 6.984 -8.727 1.00 0.00 N ATOM 1426 CZ ARG A 93 10.119 6.960 -10.046 1.00 0.00 C ATOM 1427 NH1 ARG A 93 10.518 5.850 -10.652 1.00 0.00 N ATOM 1428 NH2 ARG A 93 9.866 8.047 -10.763 1.00 0.00 N ATOM 0 H ARG A 93 6.470 6.335 -7.788 1.00 0.00 H new ATOM 0 HA ARG A 93 6.359 4.019 -9.633 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.683 3.641 -9.167 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.511 5.317 -9.649 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.277 5.654 -6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.207 4.169 -6.973 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.665 6.176 -6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.963 5.182 -8.338 1.00 0.00 H new ATOM 0 HE ARG A 93 9.663 7.853 -8.292 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.713 5.012 -10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.630 5.834 -11.666 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.558 8.903 -10.301 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.979 8.027 -11.776 1.00 0.00 H new ATOM 1442 N ALA A 94 5.110 3.502 -7.245 1.00 0.00 N ATOM 1443 CA ALA A 94 4.640 2.692 -6.128 1.00 0.00 C ATOM 1444 C ALA A 94 5.162 1.263 -6.229 1.00 0.00 C ATOM 1445 O ALA A 94 5.828 0.770 -5.320 1.00 0.00 O ATOM 1446 CB ALA A 94 3.120 2.698 -6.074 1.00 0.00 C ATOM 0 H ALA A 94 4.369 3.969 -7.768 1.00 0.00 H new ATOM 0 HA ALA A 94 5.027 3.128 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.783 2.089 -5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.765 3.720 -5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.721 2.289 -7.002 1.00 0.00 H new ATOM 1452 N GLU A 95 4.854 0.602 -7.341 1.00 0.00 N ATOM 1453 CA GLU A 95 5.291 -0.771 -7.559 1.00 0.00 C ATOM 1454 C GLU A 95 6.742 -0.956 -7.124 1.00 0.00 C ATOM 1455 O GLU A 95 7.052 -1.839 -6.324 1.00 0.00 O ATOM 1456 CB GLU A 95 5.137 -1.151 -9.034 1.00 0.00 C ATOM 1457 CG GLU A 95 5.159 -2.650 -9.282 1.00 0.00 C ATOM 1458 CD GLU A 95 4.496 -3.034 -10.590 1.00 0.00 C ATOM 1459 OE1 GLU A 95 4.440 -2.181 -11.500 1.00 0.00 O ATOM 1460 OE2 GLU A 95 4.035 -4.189 -10.704 1.00 0.00 O ATOM 0 H GLU A 95 4.304 0.996 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 95 4.662 -1.425 -6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.199 -0.743 -9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.939 -0.685 -9.606 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.192 -2.999 -9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.654 -3.158 -8.460 1.00 0.00 H new ATOM 1467 N GLU A 96 7.625 -0.117 -7.656 1.00 0.00 N ATOM 1468 CA GLU A 96 9.043 -0.189 -7.323 1.00 0.00 C ATOM 1469 C GLU A 96 9.239 -0.443 -5.831 1.00 0.00 C ATOM 1470 O GLU A 96 9.926 -1.386 -5.437 1.00 0.00 O ATOM 1471 CB GLU A 96 9.751 1.105 -7.728 1.00 0.00 C ATOM 1472 CG GLU A 96 10.199 1.124 -9.180 1.00 0.00 C ATOM 1473 CD GLU A 96 11.477 0.340 -9.406 1.00 0.00 C ATOM 1474 OE1 GLU A 96 11.446 -0.900 -9.263 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.509 0.967 -9.727 1.00 0.00 O ATOM 0 H GLU A 96 7.384 0.620 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 96 9.478 -1.021 -7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.081 1.946 -7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.620 1.250 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.408 0.711 -9.806 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.349 2.156 -9.497 1.00 0.00 H new ATOM 1482 N ILE A 97 8.631 0.404 -5.008 1.00 0.00 N ATOM 1483 CA ILE A 97 8.739 0.271 -3.560 1.00 0.00 C ATOM 1484 C ILE A 97 8.185 -1.069 -3.088 1.00 0.00 C ATOM 1485 O ILE A 97 8.683 -1.655 -2.127 1.00 0.00 O ATOM 1486 CB ILE A 97 7.993 1.406 -2.834 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.429 2.766 -3.384 1.00 0.00 C ATOM 1488 CG2 ILE A 97 8.243 1.330 -1.335 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.349 3.822 -3.311 1.00 0.00 C ATOM 0 H ILE A 97 8.059 1.189 -5.318 1.00 0.00 H new ATOM 0 HA ILE A 97 9.800 0.329 -3.316 1.00 0.00 H new ATOM 0 HB ILE A 97 6.924 1.290 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.301 3.111 -2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.739 2.646 -4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.709 2.139 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.888 0.372 -0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.311 1.425 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.729 4.759 -3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.484 3.499 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.055 3.970 -2.272 1.00 0.00 H new ATOM 1501 N PHE A 98 7.151 -1.549 -3.772 1.00 0.00 N ATOM 1502 CA PHE A 98 6.529 -2.822 -3.424 1.00 0.00 C ATOM 1503 C PHE A 98 7.408 -3.992 -3.855 1.00 0.00 C ATOM 1504 O PHE A 98 7.264 -5.107 -3.355 1.00 0.00 O ATOM 1505 CB PHE A 98 5.151 -2.936 -4.078 1.00 0.00 C ATOM 1506 CG PHE A 98 4.818 -4.327 -4.535 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.640 -5.348 -3.616 1.00 0.00 C ATOM 1508 CD2 PHE A 98 4.681 -4.614 -5.884 1.00 0.00 C ATOM 1509 CE1 PHE A 98 4.334 -6.630 -4.034 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.375 -5.893 -6.308 1.00 0.00 C ATOM 1511 CZ PHE A 98 4.200 -6.902 -5.381 1.00 0.00 C ATOM 0 H PHE A 98 6.726 -1.076 -4.570 1.00 0.00 H new ATOM 0 HA PHE A 98 6.413 -2.857 -2.341 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.393 -2.604 -3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.106 -2.261 -4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.741 -5.140 -2.561 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.815 -3.828 -6.613 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.200 -7.418 -3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.273 -6.103 -7.362 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.959 -7.902 -5.709 1.00 0.00 H new ATOM 1521 N ASN A 99 8.318 -3.730 -4.787 1.00 0.00 N ATOM 1522 CA ASN A 99 9.220 -4.761 -5.287 1.00 0.00 C ATOM 1523 C ASN A 99 10.452 -4.885 -4.396 1.00 0.00 C ATOM 1524 O ASN A 99 11.032 -5.964 -4.267 1.00 0.00 O ATOM 1525 CB ASN A 99 9.644 -4.445 -6.723 1.00 0.00 C ATOM 1526 CG ASN A 99 8.497 -3.915 -7.561 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.272 -4.203 -7.138 1.00 0.00 O flip ATOM 1528 ND2 ASN A 99 8.711 -3.253 -8.577 1.00 0.00 N flip ATOM 0 H ASN A 99 8.450 -2.812 -5.212 1.00 0.00 H new ATOM 0 HA ASN A 99 8.687 -5.712 -5.274 1.00 0.00 H new ATOM 0 HB2 ASN A 99 10.449 -3.710 -6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.044 -5.346 -7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.670 -3.056 -8.865 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.930 -2.902 -9.131 1.00 0.00 H new ATOM 1535 N LEU A 100 10.846 -3.774 -3.783 1.00 0.00 N ATOM 1536 CA LEU A 100 12.009 -3.758 -2.903 1.00 0.00 C ATOM 1537 C LEU A 100 11.605 -4.048 -1.461 1.00 0.00 C ATOM 1538 O LEU A 100 12.350 -4.680 -0.712 1.00 0.00 O ATOM 1539 CB LEU A 100 12.716 -2.403 -2.984 1.00 0.00 C ATOM 1540 CG LEU A 100 14.200 -2.397 -2.619 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.781 -1.000 -2.769 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.402 -2.911 -1.201 1.00 0.00 C ATOM 0 H LEU A 100 10.377 -2.873 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 100 12.694 -4.539 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.611 -2.021 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 100 12.198 -1.706 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 100 14.726 -3.062 -3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.838 -1.015 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.670 -0.669 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.252 -0.313 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.464 -2.900 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 100 13.863 -2.271 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.023 -3.930 -1.126 1.00 0.00 H new ATOM 1554 N LEU A 101 10.421 -3.583 -1.080 1.00 0.00 N ATOM 1555 CA LEU A 101 9.916 -3.795 0.273 1.00 0.00 C ATOM 1556 C LEU A 101 9.936 -5.276 0.636 1.00 0.00 C ATOM 1557 O LEU A 101 10.549 -5.672 1.627 1.00 0.00 O ATOM 1558 CB LEU A 101 8.493 -3.247 0.398 1.00 0.00 C ATOM 1559 CG LEU A 101 8.372 -1.785 0.830 1.00 0.00 C ATOM 1560 CD1 LEU A 101 6.939 -1.300 0.676 1.00 0.00 C ATOM 1561 CD2 LEU A 101 8.844 -1.613 2.266 1.00 0.00 C ATOM 0 H LEU A 101 9.793 -3.057 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 101 10.567 -3.262 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.995 -3.363 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.950 -3.863 1.115 1.00 0.00 H new ATOM 0 HG LEU A 101 9.009 -1.181 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.872 -0.258 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.636 -1.387 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.281 -1.908 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.751 -0.567 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.233 -2.229 2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.887 -1.920 2.346 1.00 0.00 H new ATOM 1573 N GLN A 102 9.265 -6.088 -0.173 1.00 0.00 N ATOM 1574 CA GLN A 102 9.208 -7.526 0.063 1.00 0.00 C ATOM 1575 C GLN A 102 10.609 -8.109 0.212 1.00 0.00 C ATOM 1576 O GLN A 102 10.819 -9.062 0.963 1.00 0.00 O ATOM 1577 CB GLN A 102 8.471 -8.224 -1.081 1.00 0.00 C ATOM 1578 CG GLN A 102 9.195 -8.133 -2.415 1.00 0.00 C ATOM 1579 CD GLN A 102 8.530 -8.961 -3.497 1.00 0.00 C ATOM 1580 OE1 GLN A 102 8.857 -10.133 -3.687 1.00 0.00 O ATOM 1581 NE2 GLN A 102 7.591 -8.354 -4.214 1.00 0.00 N ATOM 0 H GLN A 102 8.753 -5.775 -0.998 1.00 0.00 H new ATOM 0 HA GLN A 102 8.663 -7.695 0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.330 -9.274 -0.824 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.479 -7.785 -1.185 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.234 -7.091 -2.733 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.225 -8.467 -2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.352 -7.381 -4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.109 -8.861 -4.957 1.00 0.00 H new ATOM 1590 N ASP A 103 11.564 -7.531 -0.507 1.00 0.00 N ATOM 1591 CA ASP A 103 12.947 -7.993 -0.455 1.00 0.00 C ATOM 1592 C ASP A 103 13.592 -7.627 0.878 1.00 0.00 C ATOM 1593 O ASP A 103 14.531 -8.285 1.327 1.00 0.00 O ATOM 1594 CB ASP A 103 13.752 -7.391 -1.607 1.00 0.00 C ATOM 1595 CG ASP A 103 13.722 -8.259 -2.850 1.00 0.00 C ATOM 1596 OD1 ASP A 103 14.526 -9.212 -2.928 1.00 0.00 O ATOM 1597 OD2 ASP A 103 12.895 -7.986 -3.744 1.00 0.00 O ATOM 0 H ASP A 103 11.407 -6.741 -1.133 1.00 0.00 H new ATOM 0 HA ASP A 103 12.945 -9.079 -0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.356 -6.404 -1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.785 -7.251 -1.290 1.00 0.00 H new ATOM 1602 N LEU A 104 13.083 -6.573 1.506 1.00 0.00 N ATOM 1603 CA LEU A 104 13.609 -6.118 2.788 1.00 0.00 C ATOM 1604 C LEU A 104 12.924 -6.838 3.945 1.00 0.00 C ATOM 1605 O LEU A 104 13.578 -7.277 4.891 1.00 0.00 O ATOM 1606 CB LEU A 104 13.423 -4.606 2.931 1.00 0.00 C ATOM 1607 CG LEU A 104 14.129 -3.741 1.886 1.00 0.00 C ATOM 1608 CD1 LEU A 104 13.717 -2.285 2.033 1.00 0.00 C ATOM 1609 CD2 LEU A 104 15.639 -3.885 2.007 1.00 0.00 C ATOM 0 H LEU A 104 12.306 -6.017 1.148 1.00 0.00 H new ATOM 0 HA LEU A 104 14.673 -6.351 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 104 12.356 -4.386 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.776 -4.308 3.918 1.00 0.00 H new ATOM 0 HG LEU A 104 13.830 -4.084 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.229 -1.684 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.639 -2.196 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.987 -1.929 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.125 -3.263 1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 104 15.956 -3.569 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.919 -4.927 1.851 1.00 0.00 H new ATOM 1621 N MET A 105 11.603 -6.957 3.861 1.00 0.00 N ATOM 1622 CA MET A 105 10.829 -7.627 4.900 1.00 0.00 C ATOM 1623 C MET A 105 11.358 -9.036 5.148 1.00 0.00 C ATOM 1624 O MET A 105 11.468 -9.474 6.293 1.00 0.00 O ATOM 1625 CB MET A 105 9.352 -7.687 4.507 1.00 0.00 C ATOM 1626 CG MET A 105 8.765 -6.333 4.140 1.00 0.00 C ATOM 1627 SD MET A 105 8.139 -5.436 5.574 1.00 0.00 S ATOM 1628 CE MET A 105 6.459 -6.051 5.650 1.00 0.00 C ATOM 0 H MET A 105 11.046 -6.599 3.085 1.00 0.00 H new ATOM 0 HA MET A 105 10.930 -7.052 5.821 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.237 -8.365 3.661 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.781 -8.109 5.334 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.528 -5.732 3.645 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.956 -6.474 3.423 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.136 -6.099 6.690 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.801 -5.381 5.096 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.416 -7.047 5.210 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.809 11.185 8.322 1.00 0.00 N ATOM 2276 CA PHE B 2 -4.218 10.913 8.066 1.00 0.00 C ATOM 2277 C PHE B 2 -4.543 9.444 8.318 1.00 0.00 C ATOM 2278 O PHE B 2 -3.784 8.554 7.935 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.578 11.287 6.627 1.00 0.00 C ATOM 2280 CG PHE B 2 -6.047 11.184 6.330 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.621 9.961 6.021 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.855 12.310 6.362 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -7.972 9.864 5.747 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -8.206 12.218 6.089 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.766 10.993 5.782 1.00 0.00 C ATOM 0 HA PHE B 2 -4.810 11.520 8.751 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -4.247 12.307 6.431 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -4.031 10.638 5.944 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -6.006 9.074 5.994 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -6.423 13.270 6.603 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -8.407 8.905 5.506 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -8.824 13.103 6.116 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.822 10.919 5.570 1.00 0.00 H new ATOM 2295 N ARG B 3 -5.677 9.198 8.966 1.00 0.00 N ATOM 2296 CA ARG B 3 -6.103 7.837 9.272 1.00 0.00 C ATOM 2297 C ARG B 3 -7.107 7.336 8.238 1.00 0.00 C ATOM 2298 O ARG B 3 -8.043 8.048 7.871 1.00 0.00 O ATOM 2299 CB ARG B 3 -6.720 7.775 10.670 1.00 0.00 C ATOM 2300 CG ARG B 3 -7.857 8.762 10.878 1.00 0.00 C ATOM 2301 CD ARG B 3 -7.381 10.020 11.587 1.00 0.00 C ATOM 2302 NE ARG B 3 -6.935 9.744 12.951 1.00 0.00 N ATOM 2303 CZ ARG B 3 -6.847 10.672 13.897 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -7.172 11.929 13.629 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -6.433 10.343 15.114 1.00 0.00 N ATOM 0 H ARG B 3 -6.317 9.923 9.289 1.00 0.00 H new ATOM 0 HA ARG B 3 -5.224 7.193 9.242 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -7.089 6.765 10.851 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -5.943 7.968 11.410 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -8.290 9.028 9.914 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -8.647 8.291 11.463 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -6.563 10.467 11.022 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -8.189 10.751 11.611 1.00 0.00 H new ATOM 0 HE ARG B 3 -6.677 8.786 13.190 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -7.491 12.185 12.695 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -7.104 12.640 14.357 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -6.182 9.377 15.323 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -6.366 11.056 15.840 1.00 0.00 H new ATOM 2319 N LEU B 4 -6.906 6.109 7.772 1.00 0.00 N ATOM 2320 CA LEU B 4 -7.794 5.513 6.779 1.00 0.00 C ATOM 2321 C LEU B 4 -8.731 4.499 7.427 1.00 0.00 C ATOM 2322 O LEU B 4 -8.490 4.040 8.543 1.00 0.00 O ATOM 2323 CB LEU B 4 -6.977 4.837 5.676 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.516 5.742 4.533 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.648 4.966 3.555 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.714 6.350 3.818 1.00 0.00 C ATOM 0 H LEU B 4 -6.137 5.507 8.065 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.396 6.309 6.341 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -6.097 4.382 6.130 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.573 4.027 5.254 1.00 0.00 H new ATOM 0 HG LEU B 4 -5.920 6.551 4.954 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.329 5.626 2.748 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.772 4.579 4.075 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.220 4.136 3.140 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.367 6.991 3.008 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.337 5.554 3.410 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.297 6.941 4.524 1.00 0.00 H new ATOM 2338 N ARG B 5 -9.800 4.151 6.717 1.00 0.00 N ATOM 2339 CA ARG B 5 -10.773 3.191 7.222 1.00 0.00 C ATOM 2340 C ARG B 5 -10.444 1.780 6.743 1.00 0.00 C ATOM 2341 O ARG B 5 -10.499 0.822 7.515 1.00 0.00 O ATOM 2342 CB ARG B 5 -12.184 3.577 6.773 1.00 0.00 C ATOM 2343 CG ARG B 5 -13.270 3.156 7.748 1.00 0.00 C ATOM 2344 CD ARG B 5 -14.512 4.023 7.607 1.00 0.00 C ATOM 2345 NE ARG B 5 -14.386 5.282 8.338 1.00 0.00 N ATOM 2346 CZ ARG B 5 -14.447 5.372 9.662 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -14.629 4.284 10.396 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -14.324 6.554 10.253 1.00 0.00 N ATOM 0 H ARG B 5 -10.013 4.520 5.790 1.00 0.00 H new ATOM 0 HA ARG B 5 -10.729 3.207 8.311 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -12.230 4.657 6.636 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -12.384 3.124 5.802 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -13.532 2.112 7.574 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -12.891 3.224 8.768 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -14.690 4.232 6.552 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -15.380 3.476 7.974 1.00 0.00 H new ATOM 0 HE ARG B 5 -14.243 6.138 7.803 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -14.723 3.374 9.945 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -14.675 4.356 11.412 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -14.183 7.393 9.691 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -14.371 6.623 11.270 1.00 0.00 H new ATOM 2362 N HIS B 6 -10.101 1.660 5.464 1.00 0.00 N ATOM 2363 CA HIS B 6 -9.762 0.366 4.882 1.00 0.00 C ATOM 2364 C HIS B 6 -8.494 0.465 4.039 1.00 0.00 C ATOM 2365 O HIS B 6 -7.945 1.550 3.850 1.00 0.00 O ATOM 2366 CB HIS B 6 -10.919 -0.150 4.026 1.00 0.00 C ATOM 2367 CG HIS B 6 -10.899 0.364 2.619 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -10.561 -0.420 1.537 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -11.180 1.590 2.121 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -10.632 0.302 0.433 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -11.006 1.526 0.760 1.00 0.00 N ATOM 0 H HIS B 6 -10.051 2.442 4.812 1.00 0.00 H new ATOM 0 HA HIS B 6 -9.581 -0.336 5.696 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -10.888 -1.239 4.007 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -11.861 0.134 4.494 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -11.484 2.457 2.688 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -10.420 -0.049 -0.566 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -11.143 2.298 0.108 1.00 0.00 H new ATOM 2380 N PHE B 7 -8.034 -0.676 3.535 1.00 0.00 N ATOM 2381 CA PHE B 7 -6.830 -0.718 2.714 1.00 0.00 C ATOM 2382 C PHE B 7 -7.172 -0.538 1.238 1.00 0.00 C ATOM 2383 O PHE B 7 -7.909 -1.327 0.645 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.092 -2.042 2.921 1.00 0.00 C ATOM 2385 CG PHE B 7 -4.624 -1.964 2.617 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -3.852 -0.931 3.124 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -4.015 -2.923 1.823 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -2.500 -0.856 2.846 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -2.663 -2.853 1.543 1.00 0.00 C ATOM 2390 CZ PHE B 7 -1.905 -1.818 2.054 1.00 0.00 C ATOM 0 H PHE B 7 -8.477 -1.583 3.681 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.182 0.103 3.021 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.224 -2.365 3.954 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -6.546 -2.805 2.288 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.312 -0.176 3.744 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -4.603 -3.734 1.419 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -1.910 -0.046 3.248 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.200 -3.608 0.925 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.849 -1.761 1.835 1.00 0.00 H new ATOM 2400 N PRO B 8 -6.625 0.524 0.629 1.00 0.00 N ATOM 2401 CA PRO B 8 -6.857 0.833 -0.785 1.00 0.00 C ATOM 2402 C PRO B 8 -6.184 -0.170 -1.716 1.00 0.00 C ATOM 2403 O PRO B 8 -6.818 -0.712 -2.623 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.233 2.220 -0.952 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.199 2.302 0.117 1.00 0.00 C ATOM 2406 CD PRO B 8 -5.737 1.505 1.274 1.00 0.00 C ATOM 0 HA PRO B 8 -7.915 0.793 -1.042 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -5.790 2.338 -1.941 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -6.980 3.006 -0.841 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.248 1.896 -0.228 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -5.018 3.337 0.407 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -4.938 1.017 1.832 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.279 2.135 1.979 1.00 0.00 H new ATOM 2414 N CYS B 9 -4.899 -0.413 -1.486 1.00 0.00 N ATOM 2415 CA CYS B 9 -4.140 -1.352 -2.304 1.00 0.00 C ATOM 2416 C CYS B 9 -4.804 -2.725 -2.314 1.00 0.00 C ATOM 2417 O CYS B 9 -5.321 -3.183 -1.296 1.00 0.00 O ATOM 2418 CB CYS B 9 -2.706 -1.469 -1.786 1.00 0.00 C ATOM 2419 SG CYS B 9 -1.769 0.076 -1.852 1.00 0.00 S ATOM 0 H CYS B 9 -4.361 0.027 -0.740 1.00 0.00 H new ATOM 0 HA CYS B 9 -4.119 -0.971 -3.325 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -2.731 -1.822 -0.755 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -2.181 -2.225 -2.370 1.00 0.00 H new ATOM 0 HG CYS B 9 -1.332 0.267 -3.061 1.00 0.00 H new ATOM 2425 N GLY B 10 -4.786 -3.377 -3.473 1.00 0.00 N ATOM 2426 CA GLY B 10 -5.391 -4.691 -3.594 1.00 0.00 C ATOM 2427 C GLY B 10 -4.367 -5.807 -3.547 1.00 0.00 C ATOM 2428 O GLY B 10 -4.390 -6.642 -2.643 1.00 0.00 O ATOM 0 H GLY B 10 -4.364 -3.019 -4.330 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -6.113 -4.831 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -5.944 -4.748 -4.532 1.00 0.00 H new ATOM 2432 N ASN B 11 -3.467 -5.824 -4.524 1.00 0.00 N ATOM 2433 CA ASN B 11 -2.431 -6.848 -4.591 1.00 0.00 C ATOM 2434 C ASN B 11 -1.370 -6.621 -3.518 1.00 0.00 C ATOM 2435 O ASN B 11 -0.325 -6.026 -3.780 1.00 0.00 O ATOM 2436 CB ASN B 11 -1.779 -6.853 -5.976 1.00 0.00 C ATOM 2437 CG ASN B 11 -1.285 -8.230 -6.377 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -0.091 -8.433 -6.601 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -2.204 -9.184 -6.470 1.00 0.00 N ATOM 0 H ASN B 11 -3.434 -5.140 -5.280 1.00 0.00 H new ATOM 0 HA ASN B 11 -2.900 -7.816 -4.413 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -2.498 -6.499 -6.714 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -0.943 -6.153 -5.984 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -1.932 -10.130 -6.736 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -3.182 -8.971 -6.275 1.00 0.00 H new ATOM 2446 N VAL B 12 -1.648 -7.099 -2.309 1.00 0.00 N ATOM 2447 CA VAL B 12 -0.718 -6.950 -1.196 1.00 0.00 C ATOM 2448 C VAL B 12 0.145 -8.196 -1.031 1.00 0.00 C ATOM 2449 O VAL B 12 -0.179 -9.261 -1.552 1.00 0.00 O ATOM 2450 CB VAL B 12 -1.462 -6.675 0.124 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -2.647 -5.751 -0.113 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -1.912 -7.979 0.763 1.00 0.00 C ATOM 0 H VAL B 12 -2.510 -7.593 -2.076 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.080 -6.098 -1.428 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.776 -6.178 0.810 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.160 -5.568 0.831 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.294 -4.805 -0.523 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.337 -6.217 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.436 -7.766 1.695 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.581 -8.506 0.083 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.042 -8.602 0.970 1.00 0.00 H new ATOM 2462 N ASN B 13 1.246 -8.053 -0.300 1.00 0.00 N ATOM 2463 CA ASN B 13 2.157 -9.168 -0.065 1.00 0.00 C ATOM 2464 C ASN B 13 2.327 -9.426 1.429 1.00 0.00 C ATOM 2465 O ASN B 13 3.206 -8.852 2.073 1.00 0.00 O ATOM 2466 CB ASN B 13 3.518 -8.884 -0.703 1.00 0.00 C ATOM 2467 CG ASN B 13 4.523 -9.989 -0.438 1.00 0.00 C ATOM 2468 OD1 ASN B 13 4.214 -10.977 0.229 1.00 0.00 O ATOM 2469 ND2 ASN B 13 5.733 -9.827 -0.960 1.00 0.00 N ATOM 0 H ASN B 13 1.529 -7.177 0.139 1.00 0.00 H new ATOM 0 HA ASN B 13 1.727 -10.059 -0.523 1.00 0.00 H new ATOM 0 HB2 ASN B 13 3.393 -8.760 -1.779 1.00 0.00 H new ATOM 0 HB3 ASN B 13 3.908 -7.942 -0.317 1.00 0.00 H new ATOM 0 HD21 ASN B 13 6.450 -10.537 -0.815 1.00 0.00 H new ATOM 0 HD22 ASN B 13 5.945 -8.992 -1.506 1.00 0.00 H new ATOM 2476 N TYR B 14 1.480 -10.292 1.974 1.00 0.00 N ATOM 2477 CA TYR B 14 1.535 -10.625 3.393 1.00 0.00 C ATOM 2478 C TYR B 14 2.948 -11.027 3.804 1.00 0.00 C ATOM 2479 O TYR B 14 3.483 -12.029 3.332 1.00 0.00 O ATOM 2480 CB TYR B 14 0.558 -11.758 3.710 1.00 0.00 C ATOM 2481 CG TYR B 14 -0.841 -11.515 3.189 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -1.524 -10.345 3.496 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -1.478 -12.456 2.390 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -2.802 -10.120 3.022 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -2.756 -12.239 1.911 1.00 0.00 C ATOM 2486 CZ TYR B 14 -3.414 -11.069 2.231 1.00 0.00 C ATOM 2487 OH TYR B 14 -4.686 -10.848 1.756 1.00 0.00 O ATOM 0 H TYR B 14 0.747 -10.776 1.455 1.00 0.00 H new ATOM 0 HA TYR B 14 1.250 -9.739 3.960 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.940 -12.686 3.283 1.00 0.00 H new ATOM 0 HB3 TYR B 14 0.515 -11.898 4.790 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.048 -9.599 4.115 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -0.966 -13.373 2.139 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.319 -9.205 3.270 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.237 -12.980 1.290 1.00 0.00 H new ATOM 0 HH TYR B 14 -4.970 -11.613 1.214 1.00 0.00 H new ATOM 2497 N GLY B 15 3.548 -10.236 4.689 1.00 0.00 N ATOM 2498 CA GLY B 15 4.893 -10.524 5.150 1.00 0.00 C ATOM 2499 C GLY B 15 4.908 -11.206 6.504 1.00 0.00 C ATOM 2500 O GLY B 15 4.895 -12.434 6.588 1.00 0.00 O ATOM 0 H GLY B 15 3.126 -9.401 5.095 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.395 -11.160 4.421 1.00 0.00 H new ATOM 0 HA3 GLY B 15 5.461 -9.595 5.208 1.00 0.00 H new