USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 748 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 46 MET CE :methyl -142:sc= -2.27 (180deg=-1.11) USER MOD Set 1.2: A 50 HIS : no HD1:sc= -2.79 K(o=-11,f=-11) USER MOD Set 1.3: A 74 MET CE :methyl 150:sc= -5.69! (180deg=-4.8!) USER MOD Set 2.1: A 18 CYS SG : rot 52:sc= 3 USER MOD Set 2.2: A 21 CYS SG : rot -50:sc= -3.27 USER MOD Set 2.3: A 34 HIS : no HD1:sc= -3.16 K(o=-3.6,f=-9.3!) USER MOD Set 2.4: A 35 CYS SG : rot -70:sc= 1.9 USER MOD Set 2.5: A 39 HIS : no HD1:sc= -2.06! C(o=-3.6!,f=-4.9!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-1) USER MOD Single : A 16 THR OG1 : rot 130:sc= -0.142 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0884 USER MOD Single : A 31 THR OG1 : rot -72:sc= 0.939 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 147:sc= 0.231 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.33) USER MOD Single : A 42 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.5) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -140:sc= 0.00588 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -143:sc= 1.11 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -4.23! C(o=-4.2!,f=-4!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 76 SER OG : rot 56:sc= 0.274 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.365 F(o=-1.3,f=-0.36) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -119:sc= 0.264 USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= -0.0441 (180deg=-0.356) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 153 N GLN A 14 2.366 10.357 16.558 1.00 0.00 N ATOM 154 CA GLN A 14 2.175 10.418 15.114 1.00 0.00 C ATOM 155 C GLN A 14 1.575 9.118 14.589 1.00 0.00 C ATOM 156 O GLN A 14 2.284 8.131 14.391 1.00 0.00 O ATOM 157 CB GLN A 14 3.505 10.700 14.413 1.00 0.00 C ATOM 158 CG GLN A 14 4.653 9.841 14.919 1.00 0.00 C ATOM 159 CD GLN A 14 5.928 10.044 14.125 1.00 0.00 C ATOM 160 OE1 GLN A 14 6.516 11.126 14.138 1.00 0.00 O ATOM 161 NE2 GLN A 14 6.364 9.002 13.427 1.00 0.00 N ATOM 0 HA GLN A 14 1.481 11.230 14.899 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.384 10.536 13.342 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.762 11.751 14.548 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.841 10.074 15.967 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.364 8.791 14.873 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.846 8.124 13.444 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.217 9.080 12.873 1.00 0.00 H new ATOM 170 N HIS A 15 0.265 9.124 14.366 1.00 0.00 N ATOM 171 CA HIS A 15 -0.431 7.944 13.864 1.00 0.00 C ATOM 172 C HIS A 15 -0.930 8.173 12.440 1.00 0.00 C ATOM 173 O HIS A 15 -1.320 9.284 12.078 1.00 0.00 O ATOM 174 CB HIS A 15 -1.604 7.590 14.777 1.00 0.00 C ATOM 175 CG HIS A 15 -1.209 6.781 15.974 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.053 7.011 16.689 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.824 5.739 16.580 1.00 0.00 C ATOM 178 CE1 HIS A 15 0.027 6.144 17.683 1.00 0.00 C ATOM 179 NE2 HIS A 15 -1.036 5.361 17.640 1.00 0.00 N ATOM 0 H HIS A 15 -0.336 9.932 14.525 1.00 0.00 H new ATOM 0 HA HIS A 15 0.275 7.113 13.854 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.083 8.510 15.113 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.346 7.035 14.203 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.760 5.288 16.285 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.826 6.086 18.407 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.239 4.600 18.288 1.00 0.00 H new ATOM 187 N THR A 16 -0.915 7.115 11.635 1.00 0.00 N ATOM 188 CA THR A 16 -1.364 7.201 10.252 1.00 0.00 C ATOM 189 C THR A 16 -2.625 6.373 10.031 1.00 0.00 C ATOM 190 O THR A 16 -2.649 5.163 10.254 1.00 0.00 O ATOM 191 CB THR A 16 -0.272 6.722 9.276 1.00 0.00 C ATOM 192 OG1 THR A 16 -0.719 6.882 7.925 1.00 0.00 O ATOM 193 CG2 THR A 16 0.080 5.265 9.531 1.00 0.00 C ATOM 0 H THR A 16 -0.596 6.188 11.918 1.00 0.00 H new ATOM 0 HA THR A 16 -1.582 8.251 10.055 1.00 0.00 H new ATOM 0 HB THR A 16 0.620 7.327 9.437 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.033 7.352 7.407 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.853 4.949 8.830 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.447 5.153 10.551 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.808 4.647 9.395 1.00 0.00 H new ATOM 201 N PRO A 17 -3.699 7.038 9.580 1.00 0.00 N ATOM 202 CA PRO A 17 -4.984 6.383 9.318 1.00 0.00 C ATOM 203 C PRO A 17 -4.926 5.459 8.106 1.00 0.00 C ATOM 204 O PRO A 17 -3.972 5.496 7.329 1.00 0.00 O ATOM 205 CB PRO A 17 -5.932 7.555 9.053 1.00 0.00 C ATOM 206 CG PRO A 17 -5.050 8.655 8.571 1.00 0.00 C ATOM 207 CD PRO A 17 -3.742 8.482 9.292 1.00 0.00 C ATOM 0 HA PRO A 17 -5.294 5.746 10.146 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.684 7.295 8.308 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.467 7.844 9.958 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.911 8.599 7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.488 9.630 8.786 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.899 8.794 8.675 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.705 9.075 10.206 1.00 0.00 H new ATOM 215 N CYS A 18 -5.954 4.631 7.950 1.00 0.00 N ATOM 216 CA CYS A 18 -6.021 3.697 6.832 1.00 0.00 C ATOM 217 C CYS A 18 -6.474 4.405 5.558 1.00 0.00 C ATOM 218 O CYS A 18 -6.985 5.525 5.605 1.00 0.00 O ATOM 219 CB CYS A 18 -6.977 2.548 7.158 1.00 0.00 C ATOM 220 SG CYS A 18 -6.930 1.179 5.957 1.00 0.00 S ATOM 0 H CYS A 18 -6.752 4.588 8.584 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.022 3.294 6.667 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.736 2.158 8.147 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.993 2.938 7.208 1.00 0.00 H new ATOM 0 HG CYS A 18 -5.701 0.787 5.793 1.00 0.00 H new ATOM 225 N LEU A 19 -6.282 3.744 4.422 1.00 0.00 N ATOM 226 CA LEU A 19 -6.671 4.309 3.134 1.00 0.00 C ATOM 227 C LEU A 19 -8.129 3.990 2.817 1.00 0.00 C ATOM 228 O LEU A 19 -8.832 4.793 2.203 1.00 0.00 O ATOM 229 CB LEU A 19 -5.766 3.770 2.025 1.00 0.00 C ATOM 230 CG LEU A 19 -4.262 3.889 2.268 1.00 0.00 C ATOM 231 CD1 LEU A 19 -3.942 5.178 3.010 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.750 2.684 3.044 1.00 0.00 C ATOM 0 H LEU A 19 -5.860 2.817 4.366 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.560 5.392 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.006 2.719 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.007 4.294 1.100 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.758 3.915 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.867 5.246 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.273 6.031 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.457 5.182 3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.677 2.786 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.260 2.627 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.945 1.775 2.475 1.00 0.00 H new ATOM 244 N PHE A 20 -8.577 2.813 3.242 1.00 0.00 N ATOM 245 CA PHE A 20 -9.952 2.388 3.005 1.00 0.00 C ATOM 246 C PHE A 20 -10.850 2.774 4.176 1.00 0.00 C ATOM 247 O PHE A 20 -11.966 3.259 3.985 1.00 0.00 O ATOM 248 CB PHE A 20 -10.009 0.876 2.780 1.00 0.00 C ATOM 249 CG PHE A 20 -9.121 0.402 1.664 1.00 0.00 C ATOM 250 CD1 PHE A 20 -7.792 0.094 1.903 1.00 0.00 C ATOM 251 CD2 PHE A 20 -9.617 0.264 0.378 1.00 0.00 C ATOM 252 CE1 PHE A 20 -6.972 -0.343 0.879 1.00 0.00 C ATOM 253 CE2 PHE A 20 -8.802 -0.172 -0.650 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.478 -0.475 -0.399 1.00 0.00 C ATOM 0 H PHE A 20 -8.008 2.137 3.752 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.314 2.895 2.111 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.723 0.369 3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -11.037 0.587 2.563 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.391 0.196 2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.652 0.500 0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.938 -0.581 1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.200 -0.276 -1.649 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.839 -0.815 -1.201 1.00 0.00 H new ATOM 264 N CYS A 21 -10.356 2.554 5.390 1.00 0.00 N ATOM 265 CA CYS A 21 -11.113 2.876 6.594 1.00 0.00 C ATOM 266 C CYS A 21 -10.490 4.062 7.326 1.00 0.00 C ATOM 267 O CYS A 21 -9.550 4.685 6.833 1.00 0.00 O ATOM 268 CB CYS A 21 -11.173 1.663 7.524 1.00 0.00 C ATOM 269 SG CYS A 21 -9.544 1.082 8.095 1.00 0.00 S ATOM 0 H CYS A 21 -9.434 2.154 5.566 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.126 3.146 6.295 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.782 1.914 8.392 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.677 0.847 7.007 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.752 0.938 7.074 1.00 0.00 H new ATOM 274 N ASP A 22 -11.021 4.366 8.505 1.00 0.00 N ATOM 275 CA ASP A 22 -10.518 5.476 9.307 1.00 0.00 C ATOM 276 C ASP A 22 -9.583 4.974 10.402 1.00 0.00 C ATOM 277 O ASP A 22 -8.917 5.763 11.073 1.00 0.00 O ATOM 278 CB ASP A 22 -11.680 6.253 9.927 1.00 0.00 C ATOM 279 CG ASP A 22 -12.322 7.214 8.946 1.00 0.00 C ATOM 280 OD1 ASP A 22 -12.375 6.886 7.742 1.00 0.00 O ATOM 281 OD2 ASP A 22 -12.774 8.293 9.383 1.00 0.00 O ATOM 0 H ASP A 22 -11.800 3.860 8.927 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.956 6.141 8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.431 5.551 10.288 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.321 6.809 10.793 1.00 0.00 H new ATOM 286 N ARG A 23 -9.539 3.657 10.579 1.00 0.00 N ATOM 287 CA ARG A 23 -8.687 3.051 11.595 1.00 0.00 C ATOM 288 C ARG A 23 -7.326 3.738 11.645 1.00 0.00 C ATOM 289 O ARG A 23 -6.689 3.955 10.613 1.00 0.00 O ATOM 290 CB ARG A 23 -8.506 1.558 11.314 1.00 0.00 C ATOM 291 CG ARG A 23 -9.760 0.735 11.562 1.00 0.00 C ATOM 292 CD ARG A 23 -9.596 -0.694 11.067 1.00 0.00 C ATOM 293 NE ARG A 23 -10.835 -1.458 11.180 1.00 0.00 N ATOM 294 CZ ARG A 23 -11.204 -2.100 12.283 1.00 0.00 C ATOM 295 NH1 ARG A 23 -10.433 -2.070 13.361 1.00 0.00 N ATOM 296 NH2 ARG A 23 -12.347 -2.774 12.308 1.00 0.00 N ATOM 0 H ARG A 23 -10.083 2.990 10.032 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.173 3.176 12.562 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.195 1.427 10.278 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.700 1.174 11.940 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.987 0.728 12.628 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.607 1.201 11.059 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.271 -0.682 10.027 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.812 -1.188 11.640 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.451 -1.501 10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.554 -1.553 13.345 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.719 -2.564 14.206 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.942 -2.799 11.480 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.630 -3.267 13.155 1.00 0.00 H new ATOM 310 N LEU A 24 -6.886 4.080 12.851 1.00 0.00 N ATOM 311 CA LEU A 24 -5.600 4.744 13.036 1.00 0.00 C ATOM 312 C LEU A 24 -4.538 3.753 13.500 1.00 0.00 C ATOM 313 O LEU A 24 -4.817 2.852 14.291 1.00 0.00 O ATOM 314 CB LEU A 24 -5.732 5.880 14.052 1.00 0.00 C ATOM 315 CG LEU A 24 -6.413 7.154 13.549 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.923 7.983 14.718 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.455 7.969 12.693 1.00 0.00 C ATOM 0 H LEU A 24 -7.400 3.909 13.715 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.291 5.157 12.076 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.290 5.509 14.912 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.735 6.141 14.407 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.265 6.868 12.933 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.404 8.885 14.341 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.644 7.399 15.291 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.087 8.259 15.360 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.957 8.872 12.344 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.583 8.245 13.285 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.138 7.375 11.835 1.00 0.00 H new ATOM 329 N PHE A 25 -3.317 3.927 13.003 1.00 0.00 N ATOM 330 CA PHE A 25 -2.211 3.048 13.368 1.00 0.00 C ATOM 331 C PHE A 25 -0.969 3.858 13.726 1.00 0.00 C ATOM 332 O PHE A 25 -0.780 4.973 13.240 1.00 0.00 O ATOM 333 CB PHE A 25 -1.895 2.089 12.219 1.00 0.00 C ATOM 334 CG PHE A 25 -3.087 1.309 11.743 1.00 0.00 C ATOM 335 CD1 PHE A 25 -4.089 1.926 11.013 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.205 -0.042 12.026 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.187 1.211 10.575 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.301 -0.763 11.591 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.293 -0.136 10.863 1.00 0.00 C ATOM 0 H PHE A 25 -3.069 4.668 12.347 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.511 2.470 14.242 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.486 2.658 11.384 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.120 1.393 12.540 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.011 2.978 10.783 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.431 -0.538 12.593 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.962 1.705 10.008 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.382 -1.815 11.820 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.149 -0.697 10.520 1.00 0.00 H new ATOM 349 N ALA A 26 -0.125 3.289 14.580 1.00 0.00 N ATOM 350 CA ALA A 26 1.100 3.956 15.003 1.00 0.00 C ATOM 351 C ALA A 26 2.122 3.996 13.873 1.00 0.00 C ATOM 352 O ALA A 26 2.721 5.036 13.601 1.00 0.00 O ATOM 353 CB ALA A 26 1.686 3.261 16.223 1.00 0.00 C ATOM 0 H ALA A 26 -0.267 2.367 14.993 1.00 0.00 H new ATOM 0 HA ALA A 26 0.851 4.983 15.269 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.600 3.770 16.528 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.965 3.291 17.040 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.913 2.224 15.977 1.00 0.00 H new ATOM 359 N SER A 27 2.317 2.856 13.217 1.00 0.00 N ATOM 360 CA SER A 27 3.271 2.759 12.118 1.00 0.00 C ATOM 361 C SER A 27 2.556 2.467 10.802 1.00 0.00 C ATOM 362 O SER A 27 1.402 2.039 10.792 1.00 0.00 O ATOM 363 CB SER A 27 4.303 1.667 12.405 1.00 0.00 C ATOM 364 OG SER A 27 3.671 0.453 12.772 1.00 0.00 O ATOM 0 H SER A 27 1.827 1.987 13.428 1.00 0.00 H new ATOM 0 HA SER A 27 3.783 3.717 12.028 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.922 1.506 11.522 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.968 1.991 13.206 1.00 0.00 H new ATOM 0 HG SER A 27 4.352 -0.230 12.949 1.00 0.00 H new ATOM 370 N ALA A 28 3.251 2.702 9.694 1.00 0.00 N ATOM 371 CA ALA A 28 2.684 2.462 8.372 1.00 0.00 C ATOM 372 C ALA A 28 2.538 0.969 8.100 1.00 0.00 C ATOM 373 O ALA A 28 1.633 0.546 7.382 1.00 0.00 O ATOM 374 CB ALA A 28 3.547 3.114 7.302 1.00 0.00 C ATOM 0 H ALA A 28 4.207 3.058 9.685 1.00 0.00 H new ATOM 0 HA ALA A 28 1.690 2.908 8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.112 2.927 6.320 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.596 4.188 7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.552 2.694 7.340 1.00 0.00 H new ATOM 380 N GLU A 29 3.435 0.176 8.679 1.00 0.00 N ATOM 381 CA GLU A 29 3.405 -1.271 8.496 1.00 0.00 C ATOM 382 C GLU A 29 2.170 -1.877 9.156 1.00 0.00 C ATOM 383 O GLU A 29 1.516 -2.750 8.587 1.00 0.00 O ATOM 384 CB GLU A 29 4.671 -1.906 9.075 1.00 0.00 C ATOM 385 CG GLU A 29 5.897 -1.731 8.196 1.00 0.00 C ATOM 386 CD GLU A 29 7.170 -2.207 8.868 1.00 0.00 C ATOM 387 OE1 GLU A 29 7.221 -3.386 9.277 1.00 0.00 O ATOM 388 OE2 GLU A 29 8.117 -1.400 8.985 1.00 0.00 O ATOM 0 H GLU A 29 4.190 0.510 9.278 1.00 0.00 H new ATOM 0 HA GLU A 29 3.361 -1.476 7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.871 -1.470 10.054 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.495 -2.970 9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.754 -2.281 7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.002 -0.679 7.931 1.00 0.00 H new ATOM 395 N GLU A 30 1.860 -1.408 10.361 1.00 0.00 N ATOM 396 CA GLU A 30 0.705 -1.906 11.099 1.00 0.00 C ATOM 397 C GLU A 30 -0.566 -1.791 10.263 1.00 0.00 C ATOM 398 O GLU A 30 -1.428 -2.670 10.297 1.00 0.00 O ATOM 399 CB GLU A 30 0.538 -1.133 12.409 1.00 0.00 C ATOM 400 CG GLU A 30 1.287 -1.749 13.579 1.00 0.00 C ATOM 401 CD GLU A 30 1.131 -3.256 13.644 1.00 0.00 C ATOM 402 OE1 GLU A 30 0.046 -3.722 14.050 1.00 0.00 O ATOM 403 OE2 GLU A 30 2.093 -3.968 13.289 1.00 0.00 O ATOM 0 H GLU A 30 2.392 -0.685 10.846 1.00 0.00 H new ATOM 0 HA GLU A 30 0.876 -2.958 11.325 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.885 -0.110 12.264 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.522 -1.078 12.656 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.345 -1.500 13.499 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.925 -1.310 14.509 1.00 0.00 H new ATOM 410 N THR A 31 -0.676 -0.700 9.510 1.00 0.00 N ATOM 411 CA THR A 31 -1.841 -0.468 8.666 1.00 0.00 C ATOM 412 C THR A 31 -1.879 -1.449 7.500 1.00 0.00 C ATOM 413 O THR A 31 -2.790 -2.271 7.397 1.00 0.00 O ATOM 414 CB THR A 31 -1.857 0.970 8.114 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.539 1.899 9.156 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.218 1.308 7.524 1.00 0.00 C ATOM 0 H THR A 31 0.028 0.037 9.468 1.00 0.00 H new ATOM 0 HA THR A 31 -2.720 -0.618 9.292 1.00 0.00 H new ATOM 0 HB THR A 31 -1.109 1.041 7.325 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.293 1.963 9.779 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.205 2.328 7.141 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.444 0.618 6.711 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.982 1.221 8.297 1.00 0.00 H new ATOM 424 N PHE A 32 -0.884 -1.358 6.623 1.00 0.00 N ATOM 425 CA PHE A 32 -0.804 -2.238 5.463 1.00 0.00 C ATOM 426 C PHE A 32 -1.298 -3.639 5.809 1.00 0.00 C ATOM 427 O PHE A 32 -2.273 -4.125 5.236 1.00 0.00 O ATOM 428 CB PHE A 32 0.634 -2.305 4.946 1.00 0.00 C ATOM 429 CG PHE A 32 1.114 -1.016 4.342 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.313 -0.306 3.462 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.367 -0.514 4.654 1.00 0.00 C ATOM 432 CE1 PHE A 32 0.753 0.879 2.905 1.00 0.00 C ATOM 433 CE2 PHE A 32 2.813 0.672 4.100 1.00 0.00 C ATOM 434 CZ PHE A 32 2.004 1.370 3.225 1.00 0.00 C ATOM 0 H PHE A 32 -0.122 -0.684 6.694 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.445 -1.828 4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.295 -2.580 5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.707 -3.096 4.200 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.667 -0.683 3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.003 -1.056 5.338 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.119 1.422 2.219 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.792 1.052 4.351 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.349 2.297 2.792 1.00 0.00 H new ATOM 444 N SER A 33 -0.617 -4.285 6.750 1.00 0.00 N ATOM 445 CA SER A 33 -0.983 -5.633 7.170 1.00 0.00 C ATOM 446 C SER A 33 -2.484 -5.734 7.425 1.00 0.00 C ATOM 447 O SER A 33 -3.137 -6.683 6.990 1.00 0.00 O ATOM 448 CB SER A 33 -0.212 -6.023 8.433 1.00 0.00 C ATOM 449 OG SER A 33 -0.336 -7.410 8.697 1.00 0.00 O ATOM 0 H SER A 33 0.191 -3.897 7.236 1.00 0.00 H new ATOM 0 HA SER A 33 -0.722 -6.321 6.366 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.840 -5.764 8.315 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.587 -5.453 9.283 1.00 0.00 H new ATOM 0 HG SER A 33 0.166 -7.635 9.508 1.00 0.00 H new ATOM 455 N HIS A 34 -3.025 -4.748 8.134 1.00 0.00 N ATOM 456 CA HIS A 34 -4.449 -4.724 8.447 1.00 0.00 C ATOM 457 C HIS A 34 -5.286 -4.685 7.171 1.00 0.00 C ATOM 458 O HIS A 34 -6.335 -5.323 7.086 1.00 0.00 O ATOM 459 CB HIS A 34 -4.780 -3.517 9.325 1.00 0.00 C ATOM 460 CG HIS A 34 -6.142 -2.948 9.072 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.306 -3.585 9.447 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.522 -1.791 8.480 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.343 -2.847 9.094 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.894 -1.753 8.506 1.00 0.00 N ATOM 0 H HIS A 34 -2.499 -3.956 8.502 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.691 -5.637 8.991 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.706 -3.809 10.373 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.034 -2.740 9.157 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.868 -1.039 8.065 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.381 -3.096 9.258 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -8.473 -1.001 8.132 1.00 0.00 H new ATOM 472 N CYS A 35 -4.814 -3.932 6.184 1.00 0.00 N ATOM 473 CA CYS A 35 -5.520 -3.808 4.913 1.00 0.00 C ATOM 474 C CYS A 35 -5.417 -5.098 4.106 1.00 0.00 C ATOM 475 O CYS A 35 -6.198 -5.329 3.183 1.00 0.00 O ATOM 476 CB CYS A 35 -4.954 -2.639 4.104 1.00 0.00 C ATOM 477 SG CYS A 35 -4.873 -1.081 5.017 1.00 0.00 S ATOM 0 H CYS A 35 -3.946 -3.398 6.239 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.572 -3.618 5.126 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.953 -2.899 3.761 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.568 -2.495 3.215 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.076 -0.630 5.213 1.00 0.00 H new ATOM 483 N LYS A 36 -4.447 -5.935 4.460 1.00 0.00 N ATOM 484 CA LYS A 36 -4.241 -7.202 3.769 1.00 0.00 C ATOM 485 C LYS A 36 -5.005 -8.328 4.458 1.00 0.00 C ATOM 486 O LYS A 36 -5.208 -9.398 3.881 1.00 0.00 O ATOM 487 CB LYS A 36 -2.749 -7.541 3.717 1.00 0.00 C ATOM 488 CG LYS A 36 -1.924 -6.535 2.932 1.00 0.00 C ATOM 489 CD LYS A 36 -0.449 -6.630 3.283 1.00 0.00 C ATOM 490 CE LYS A 36 0.340 -5.471 2.692 1.00 0.00 C ATOM 491 NZ LYS A 36 1.761 -5.484 3.137 1.00 0.00 N ATOM 0 H LYS A 36 -3.792 -5.758 5.221 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.620 -7.099 2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.363 -7.600 4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.624 -8.528 3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.057 -6.708 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.284 -5.527 3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.331 -6.637 4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.046 -7.573 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.300 -5.521 1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.124 -4.529 2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.366 -5.112 2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.865 -4.890 3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.046 -6.459 3.360 1.00 0.00 H new ATOM 505 N LEU A 37 -5.427 -8.081 5.693 1.00 0.00 N ATOM 506 CA LEU A 37 -6.171 -9.074 6.460 1.00 0.00 C ATOM 507 C LEU A 37 -7.674 -8.874 6.297 1.00 0.00 C ATOM 508 O LEU A 37 -8.434 -9.839 6.233 1.00 0.00 O ATOM 509 CB LEU A 37 -5.791 -8.993 7.940 1.00 0.00 C ATOM 510 CG LEU A 37 -4.330 -9.295 8.275 1.00 0.00 C ATOM 511 CD1 LEU A 37 -3.940 -8.644 9.593 1.00 0.00 C ATOM 512 CD2 LEU A 37 -4.095 -10.797 8.330 1.00 0.00 C ATOM 0 H LEU A 37 -5.267 -7.202 6.185 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.912 -10.061 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.026 -7.992 8.301 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.421 -9.688 8.495 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.702 -8.878 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.897 -8.869 9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.070 -7.564 9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.573 -9.031 10.391 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.050 -10.993 8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.732 -11.237 9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.334 -11.238 7.363 1.00 0.00 H new ATOM 524 N GLU A 38 -8.094 -7.615 6.229 1.00 0.00 N ATOM 525 CA GLU A 38 -9.507 -7.289 6.072 1.00 0.00 C ATOM 526 C GLU A 38 -9.826 -6.934 4.622 1.00 0.00 C ATOM 527 O GLU A 38 -10.570 -7.645 3.946 1.00 0.00 O ATOM 528 CB GLU A 38 -9.890 -6.126 6.989 1.00 0.00 C ATOM 529 CG GLU A 38 -9.724 -6.436 8.468 1.00 0.00 C ATOM 530 CD GLU A 38 -10.886 -7.231 9.031 1.00 0.00 C ATOM 531 OE1 GLU A 38 -12.019 -6.705 9.036 1.00 0.00 O ATOM 532 OE2 GLU A 38 -10.662 -8.380 9.467 1.00 0.00 O ATOM 0 H GLU A 38 -7.477 -6.804 6.280 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.089 -8.168 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.279 -5.259 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.927 -5.851 6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.800 -6.995 8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.625 -5.503 9.022 1.00 0.00 H new ATOM 539 N HIS A 39 -9.257 -5.829 4.151 1.00 0.00 N ATOM 540 CA HIS A 39 -9.480 -5.378 2.782 1.00 0.00 C ATOM 541 C HIS A 39 -8.799 -6.311 1.786 1.00 0.00 C ATOM 542 O HIS A 39 -9.224 -6.423 0.636 1.00 0.00 O ATOM 543 CB HIS A 39 -8.959 -3.952 2.601 1.00 0.00 C ATOM 544 CG HIS A 39 -9.504 -2.983 3.605 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.835 -2.940 3.964 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.889 -2.018 4.328 1.00 0.00 C ATOM 547 CE1 HIS A 39 -11.015 -1.990 4.863 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.850 -1.416 5.102 1.00 0.00 N ATOM 0 H HIS A 39 -8.638 -5.230 4.697 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.553 -5.391 2.591 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.871 -3.960 2.669 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.213 -3.606 1.599 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.839 -1.768 4.301 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.955 -1.727 5.325 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.690 -0.650 5.756 1.00 0.00 H new ATOM 556 N GLN A 40 -7.741 -6.979 2.235 1.00 0.00 N ATOM 557 CA GLN A 40 -7.001 -7.901 1.381 1.00 0.00 C ATOM 558 C GLN A 40 -6.282 -7.151 0.265 1.00 0.00 C ATOM 559 O GLN A 40 -6.049 -7.697 -0.814 1.00 0.00 O ATOM 560 CB GLN A 40 -7.946 -8.945 0.784 1.00 0.00 C ATOM 561 CG GLN A 40 -9.016 -9.423 1.752 1.00 0.00 C ATOM 562 CD GLN A 40 -9.445 -10.853 1.489 1.00 0.00 C ATOM 563 OE1 GLN A 40 -8.611 -11.746 1.341 1.00 0.00 O ATOM 564 NE2 GLN A 40 -10.752 -11.077 1.428 1.00 0.00 N ATOM 0 H GLN A 40 -7.377 -6.899 3.185 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.254 -8.405 1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.428 -8.524 -0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.362 -9.802 0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.640 -9.342 2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.884 -8.768 1.680 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.408 -10.307 1.557 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.100 -12.020 1.252 1.00 0.00 H new ATOM 573 N PHE A 41 -5.932 -5.897 0.531 1.00 0.00 N ATOM 574 CA PHE A 41 -5.240 -5.071 -0.452 1.00 0.00 C ATOM 575 C PHE A 41 -3.769 -4.904 -0.082 1.00 0.00 C ATOM 576 O PHE A 41 -3.436 -4.234 0.895 1.00 0.00 O ATOM 577 CB PHE A 41 -5.910 -3.700 -0.559 1.00 0.00 C ATOM 578 CG PHE A 41 -5.008 -2.634 -1.115 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.205 -1.880 -0.275 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.965 -2.387 -2.478 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.375 -0.899 -0.783 1.00 0.00 C ATOM 582 CE2 PHE A 41 -4.136 -1.407 -2.991 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.341 -0.662 -2.143 1.00 0.00 C ATOM 0 H PHE A 41 -6.116 -5.430 1.419 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.299 -5.572 -1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.793 -3.784 -1.192 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.254 -3.395 0.429 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.228 -2.061 0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.585 -2.966 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.754 -0.318 -0.117 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.110 -1.224 -4.055 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.694 0.105 -2.543 1.00 0.00 H new ATOM 593 N ASN A 42 -2.893 -5.518 -0.870 1.00 0.00 N ATOM 594 CA ASN A 42 -1.457 -5.438 -0.626 1.00 0.00 C ATOM 595 C ASN A 42 -0.867 -4.182 -1.260 1.00 0.00 C ATOM 596 O ASN A 42 -1.121 -3.886 -2.427 1.00 0.00 O ATOM 597 CB ASN A 42 -0.755 -6.680 -1.178 1.00 0.00 C ATOM 598 CG ASN A 42 -1.388 -7.968 -0.687 1.00 0.00 C ATOM 599 OD1 ASN A 42 -2.516 -8.298 -1.055 1.00 0.00 O ATOM 600 ND2 ASN A 42 -0.663 -8.703 0.148 1.00 0.00 N ATOM 0 H ASN A 42 -3.152 -6.077 -1.683 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.299 -5.388 0.451 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.784 -6.656 -2.267 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.295 -6.660 -0.886 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.036 -9.580 0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.267 -8.391 0.426 1.00 0.00 H new ATOM 607 N ILE A 43 -0.077 -3.449 -0.482 1.00 0.00 N ATOM 608 CA ILE A 43 0.552 -2.227 -0.968 1.00 0.00 C ATOM 609 C ILE A 43 1.753 -2.541 -1.854 1.00 0.00 C ATOM 610 O ILE A 43 1.912 -1.964 -2.929 1.00 0.00 O ATOM 611 CB ILE A 43 1.007 -1.327 0.196 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.630 -0.037 -0.342 1.00 0.00 C ATOM 613 CG2 ILE A 43 1.996 -2.069 1.083 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.640 0.863 -1.047 1.00 0.00 C ATOM 0 H ILE A 43 0.142 -3.680 0.487 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.199 -1.697 -1.554 1.00 0.00 H new ATOM 0 HB ILE A 43 0.136 -1.065 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.082 0.511 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.434 -0.292 -1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.309 -1.420 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.521 -2.962 1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.867 -2.357 0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.151 1.758 -1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.206 0.333 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.151 1.148 -0.353 1.00 0.00 H new ATOM 626 N ASP A 44 2.595 -3.461 -1.395 1.00 0.00 N ATOM 627 CA ASP A 44 3.781 -3.854 -2.147 1.00 0.00 C ATOM 628 C ASP A 44 3.407 -4.300 -3.557 1.00 0.00 C ATOM 629 O ASP A 44 4.020 -3.875 -4.536 1.00 0.00 O ATOM 630 CB ASP A 44 4.520 -4.980 -1.421 1.00 0.00 C ATOM 631 CG ASP A 44 4.692 -4.700 0.059 1.00 0.00 C ATOM 632 OD1 ASP A 44 3.668 -4.598 0.766 1.00 0.00 O ATOM 633 OD2 ASP A 44 5.851 -4.583 0.510 1.00 0.00 O ATOM 0 H ASP A 44 2.478 -3.948 -0.506 1.00 0.00 H new ATOM 0 HA ASP A 44 4.438 -2.988 -2.222 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.971 -5.913 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.500 -5.121 -1.877 1.00 0.00 H new ATOM 638 N SER A 45 2.398 -5.160 -3.652 1.00 0.00 N ATOM 639 CA SER A 45 1.946 -5.668 -4.942 1.00 0.00 C ATOM 640 C SER A 45 1.698 -4.523 -5.920 1.00 0.00 C ATOM 641 O SER A 45 2.066 -4.602 -7.092 1.00 0.00 O ATOM 642 CB SER A 45 0.669 -6.493 -4.771 1.00 0.00 C ATOM 643 OG SER A 45 0.190 -6.958 -6.021 1.00 0.00 O ATOM 0 H SER A 45 1.878 -5.519 -2.851 1.00 0.00 H new ATOM 0 HA SER A 45 2.731 -6.307 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.866 -7.341 -4.115 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.097 -5.887 -4.287 1.00 0.00 H new ATOM 0 HG SER A 45 -0.626 -7.484 -5.884 1.00 0.00 H new ATOM 649 N MET A 46 1.071 -3.459 -5.429 1.00 0.00 N ATOM 650 CA MET A 46 0.775 -2.297 -6.258 1.00 0.00 C ATOM 651 C MET A 46 2.055 -1.696 -6.830 1.00 0.00 C ATOM 652 O MET A 46 2.138 -1.410 -8.024 1.00 0.00 O ATOM 653 CB MET A 46 0.022 -1.242 -5.445 1.00 0.00 C ATOM 654 CG MET A 46 -1.274 -1.755 -4.837 1.00 0.00 C ATOM 655 SD MET A 46 -2.481 -2.243 -6.084 1.00 0.00 S ATOM 656 CE MET A 46 -2.768 -0.679 -6.909 1.00 0.00 C ATOM 0 H MET A 46 0.758 -3.378 -4.462 1.00 0.00 H new ATOM 0 HA MET A 46 0.147 -2.624 -7.086 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.670 -0.879 -4.647 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.200 -0.390 -6.087 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.056 -2.608 -4.194 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.705 -0.980 -4.203 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.823 -0.594 -7.170 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.492 0.139 -6.244 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.164 -0.630 -7.815 1.00 0.00 H new ATOM 666 N VAL A 47 3.051 -1.508 -5.970 1.00 0.00 N ATOM 667 CA VAL A 47 4.327 -0.942 -6.390 1.00 0.00 C ATOM 668 C VAL A 47 4.941 -1.754 -7.525 1.00 0.00 C ATOM 669 O VAL A 47 5.292 -1.210 -8.573 1.00 0.00 O ATOM 670 CB VAL A 47 5.326 -0.880 -5.220 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.655 -0.302 -5.682 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.751 -0.065 -4.072 1.00 0.00 C ATOM 0 H VAL A 47 2.999 -1.740 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 47 4.124 0.071 -6.739 1.00 0.00 H new ATOM 0 HB VAL A 47 5.503 -1.894 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.348 -0.266 -4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.071 -0.931 -6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.499 0.706 -6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.470 -0.032 -3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.543 0.949 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.827 -0.527 -3.724 1.00 0.00 H new ATOM 682 N HIS A 48 5.067 -3.060 -7.311 1.00 0.00 N ATOM 683 CA HIS A 48 5.638 -3.948 -8.317 1.00 0.00 C ATOM 684 C HIS A 48 4.776 -3.970 -9.575 1.00 0.00 C ATOM 685 O HIS A 48 5.289 -3.948 -10.694 1.00 0.00 O ATOM 686 CB HIS A 48 5.779 -5.364 -7.756 1.00 0.00 C ATOM 687 CG HIS A 48 6.903 -5.511 -6.777 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.187 -5.849 -7.149 1.00 0.00 N ATOM 689 CD2 HIS A 48 6.929 -5.363 -5.432 1.00 0.00 C ATOM 690 CE1 HIS A 48 8.954 -5.904 -6.075 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.215 -5.612 -5.020 1.00 0.00 N ATOM 0 H HIS A 48 4.781 -3.526 -6.450 1.00 0.00 H new ATOM 0 HA HIS A 48 6.625 -3.570 -8.582 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.845 -5.648 -7.270 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.933 -6.059 -8.581 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.094 -5.098 -4.800 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.006 -6.146 -6.062 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.546 -5.577 -4.056 1.00 0.00 H new ATOM 699 N LYS A 49 3.461 -4.014 -9.384 1.00 0.00 N ATOM 700 CA LYS A 49 2.526 -4.038 -10.503 1.00 0.00 C ATOM 701 C LYS A 49 2.712 -2.815 -11.394 1.00 0.00 C ATOM 702 O LYS A 49 3.181 -2.925 -12.527 1.00 0.00 O ATOM 703 CB LYS A 49 1.086 -4.094 -9.989 1.00 0.00 C ATOM 704 CG LYS A 49 0.125 -4.781 -10.944 1.00 0.00 C ATOM 705 CD LYS A 49 -1.244 -4.976 -10.313 1.00 0.00 C ATOM 706 CE LYS A 49 -2.019 -3.669 -10.248 1.00 0.00 C ATOM 707 NZ LYS A 49 -3.267 -3.804 -9.447 1.00 0.00 N ATOM 0 H LYS A 49 3.019 -4.034 -8.465 1.00 0.00 H new ATOM 0 HA LYS A 49 2.729 -4.930 -11.095 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.071 -4.617 -9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.736 -3.079 -9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.027 -4.187 -11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.532 -5.748 -11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.810 -5.708 -10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.128 -5.382 -9.308 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.389 -2.894 -9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.269 -3.344 -11.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.034 -3.275 -9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.530 -4.808 -9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.109 -3.424 -8.492 1.00 0.00 H new ATOM 721 N HIS A 50 2.342 -1.648 -10.875 1.00 0.00 N ATOM 722 CA HIS A 50 2.471 -0.403 -11.624 1.00 0.00 C ATOM 723 C HIS A 50 3.853 0.210 -11.425 1.00 0.00 C ATOM 724 O HIS A 50 4.032 1.420 -11.560 1.00 0.00 O ATOM 725 CB HIS A 50 1.392 0.590 -11.191 1.00 0.00 C ATOM 726 CG HIS A 50 -0.003 0.079 -11.380 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.631 0.041 -12.607 1.00 0.00 N ATOM 728 CD2 HIS A 50 -0.892 -0.418 -10.488 1.00 0.00 C ATOM 729 CE1 HIS A 50 -1.846 -0.456 -12.462 1.00 0.00 C ATOM 730 NE2 HIS A 50 -2.029 -0.743 -11.186 1.00 0.00 N ATOM 0 H HIS A 50 1.951 -1.539 -9.939 1.00 0.00 H new ATOM 0 HA HIS A 50 2.343 -0.629 -12.683 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.540 0.839 -10.140 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.512 1.514 -11.757 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.736 -0.537 -9.426 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.567 -0.603 -13.252 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.878 -1.142 -10.784 1.00 0.00 H new ATOM 738 N GLY A 51 4.829 -0.633 -11.102 1.00 0.00 N ATOM 739 CA GLY A 51 6.183 -0.155 -10.888 1.00 0.00 C ATOM 740 C GLY A 51 6.218 1.236 -10.286 1.00 0.00 C ATOM 741 O GLY A 51 7.037 2.069 -10.677 1.00 0.00 O ATOM 0 H GLY A 51 4.706 -1.639 -10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.709 -0.846 -10.229 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.718 -0.150 -11.838 1.00 0.00 H new ATOM 745 N LEU A 52 5.328 1.489 -9.333 1.00 0.00 N ATOM 746 CA LEU A 52 5.259 2.789 -8.676 1.00 0.00 C ATOM 747 C LEU A 52 6.638 3.230 -8.196 1.00 0.00 C ATOM 748 O LEU A 52 7.130 2.755 -7.173 1.00 0.00 O ATOM 749 CB LEU A 52 4.288 2.736 -7.495 1.00 0.00 C ATOM 750 CG LEU A 52 2.892 2.190 -7.798 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.164 1.841 -6.510 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.091 3.196 -8.610 1.00 0.00 C ATOM 0 H LEU A 52 4.644 0.811 -8.998 1.00 0.00 H new ATOM 0 HA LEU A 52 4.897 3.517 -9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.734 2.123 -6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.183 3.743 -7.091 1.00 0.00 H new ATOM 0 HG LEU A 52 2.999 1.280 -8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.173 1.454 -6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.729 1.084 -5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.068 2.734 -5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.100 2.791 -8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.993 4.124 -8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.604 3.396 -9.551 1.00 0.00 H new ATOM 764 N GLU A 53 7.254 4.144 -8.940 1.00 0.00 N ATOM 765 CA GLU A 53 8.575 4.650 -8.588 1.00 0.00 C ATOM 766 C GLU A 53 8.506 5.540 -7.351 1.00 0.00 C ATOM 767 O GLU A 53 7.451 5.678 -6.730 1.00 0.00 O ATOM 768 CB GLU A 53 9.175 5.431 -9.759 1.00 0.00 C ATOM 769 CG GLU A 53 8.247 6.494 -10.321 1.00 0.00 C ATOM 770 CD GLU A 53 8.367 7.818 -9.591 1.00 0.00 C ATOM 771 OE1 GLU A 53 9.370 8.012 -8.873 1.00 0.00 O ATOM 772 OE2 GLU A 53 7.456 8.661 -9.738 1.00 0.00 O ATOM 0 H GLU A 53 6.859 4.548 -9.789 1.00 0.00 H new ATOM 0 HA GLU A 53 9.214 3.796 -8.364 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.101 5.905 -9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.437 4.733 -10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.470 6.644 -11.377 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.217 6.141 -10.260 1.00 0.00 H new ATOM 779 N PHE A 54 9.636 6.143 -6.999 1.00 0.00 N ATOM 780 CA PHE A 54 9.705 7.020 -5.835 1.00 0.00 C ATOM 781 C PHE A 54 8.387 7.764 -5.636 1.00 0.00 C ATOM 782 O PHE A 54 7.654 7.506 -4.681 1.00 0.00 O ATOM 783 CB PHE A 54 10.851 8.021 -5.991 1.00 0.00 C ATOM 784 CG PHE A 54 10.622 9.313 -5.260 1.00 0.00 C ATOM 785 CD1 PHE A 54 10.165 9.312 -3.952 1.00 0.00 C ATOM 786 CD2 PHE A 54 10.863 10.528 -5.880 1.00 0.00 C ATOM 787 CE1 PHE A 54 9.954 10.499 -3.275 1.00 0.00 C ATOM 788 CE2 PHE A 54 10.654 11.718 -5.209 1.00 0.00 C ATOM 789 CZ PHE A 54 10.198 11.704 -3.905 1.00 0.00 C ATOM 0 H PHE A 54 10.517 6.041 -7.503 1.00 0.00 H new ATOM 0 HA PHE A 54 9.889 6.402 -4.956 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.772 7.566 -5.628 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.996 8.233 -7.050 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.971 8.373 -3.455 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.218 10.546 -6.900 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.599 10.484 -2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.847 12.658 -5.704 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.033 12.633 -3.379 1.00 0.00 H new ATOM 799 N TYR A 55 8.094 8.688 -6.544 1.00 0.00 N ATOM 800 CA TYR A 55 6.867 9.472 -6.468 1.00 0.00 C ATOM 801 C TYR A 55 5.645 8.598 -6.727 1.00 0.00 C ATOM 802 O TYR A 55 4.633 8.704 -6.036 1.00 0.00 O ATOM 803 CB TYR A 55 6.909 10.622 -7.476 1.00 0.00 C ATOM 804 CG TYR A 55 7.569 11.873 -6.941 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.193 12.411 -5.717 1.00 0.00 C ATOM 806 CD2 TYR A 55 8.570 12.515 -7.660 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.794 13.554 -5.225 1.00 0.00 C ATOM 808 CE2 TYR A 55 9.177 13.657 -7.175 1.00 0.00 C ATOM 809 CZ TYR A 55 8.785 14.174 -5.958 1.00 0.00 C ATOM 810 OH TYR A 55 9.386 15.311 -5.471 1.00 0.00 O ATOM 0 H TYR A 55 8.689 8.913 -7.341 1.00 0.00 H new ATOM 0 HA TYR A 55 6.790 9.883 -5.461 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.442 10.293 -8.368 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.891 10.862 -7.784 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.418 11.928 -5.140 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.879 12.114 -8.614 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.490 13.960 -4.272 1.00 0.00 H new ATOM 0 HE2 TYR A 55 9.955 14.143 -7.746 1.00 0.00 H new ATOM 0 HH TYR A 55 10.063 15.621 -6.108 1.00 0.00 H new ATOM 820 N GLY A 56 5.747 7.731 -7.731 1.00 0.00 N ATOM 821 CA GLY A 56 4.644 6.849 -8.065 1.00 0.00 C ATOM 822 C GLY A 56 3.947 6.301 -6.835 1.00 0.00 C ATOM 823 O GLY A 56 2.722 6.365 -6.727 1.00 0.00 O ATOM 0 H GLY A 56 6.574 7.624 -8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.922 7.390 -8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.015 6.020 -8.668 1.00 0.00 H new ATOM 827 N TYR A 57 4.728 5.759 -5.907 1.00 0.00 N ATOM 828 CA TYR A 57 4.178 5.193 -4.681 1.00 0.00 C ATOM 829 C TYR A 57 3.366 6.235 -3.916 1.00 0.00 C ATOM 830 O TYR A 57 2.224 5.986 -3.530 1.00 0.00 O ATOM 831 CB TYR A 57 5.302 4.655 -3.794 1.00 0.00 C ATOM 832 CG TYR A 57 4.874 4.390 -2.368 1.00 0.00 C ATOM 833 CD1 TYR A 57 4.166 3.241 -2.038 1.00 0.00 C ATOM 834 CD2 TYR A 57 5.177 5.287 -1.352 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.772 2.994 -0.737 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.789 5.048 -0.048 1.00 0.00 C ATOM 837 CZ TYR A 57 4.086 3.900 0.254 1.00 0.00 C ATOM 838 OH TYR A 57 3.696 3.659 1.552 1.00 0.00 O ATOM 0 H TYR A 57 5.744 5.700 -5.980 1.00 0.00 H new ATOM 0 HA TYR A 57 3.516 4.372 -4.955 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.685 3.731 -4.227 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.125 5.370 -3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.919 2.529 -2.812 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.726 6.187 -1.586 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.221 2.096 -0.498 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.034 5.755 0.730 1.00 0.00 H new ATOM 0 HH TYR A 57 3.440 4.503 1.979 1.00 0.00 H new ATOM 848 N ILE A 58 3.965 7.401 -3.703 1.00 0.00 N ATOM 849 CA ILE A 58 3.298 8.482 -2.986 1.00 0.00 C ATOM 850 C ILE A 58 1.890 8.711 -3.525 1.00 0.00 C ATOM 851 O ILE A 58 0.921 8.744 -2.767 1.00 0.00 O ATOM 852 CB ILE A 58 4.094 9.797 -3.083 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.517 9.598 -2.558 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.388 10.901 -2.311 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.403 10.810 -2.740 1.00 0.00 C ATOM 0 H ILE A 58 4.910 7.622 -4.016 1.00 0.00 H new ATOM 0 HA ILE A 58 3.240 8.179 -1.940 1.00 0.00 H new ATOM 0 HB ILE A 58 4.152 10.093 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.473 9.346 -1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.969 8.748 -3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.962 11.824 -2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.393 11.057 -2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.302 10.614 -1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.396 10.597 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.478 11.050 -3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.974 11.658 -2.205 1.00 0.00 H new ATOM 867 N LYS A 59 1.784 8.869 -4.840 1.00 0.00 N ATOM 868 CA LYS A 59 0.495 9.092 -5.483 1.00 0.00 C ATOM 869 C LYS A 59 -0.482 7.969 -5.148 1.00 0.00 C ATOM 870 O LYS A 59 -1.675 8.207 -4.957 1.00 0.00 O ATOM 871 CB LYS A 59 0.669 9.195 -7.000 1.00 0.00 C ATOM 872 CG LYS A 59 1.612 10.306 -7.430 1.00 0.00 C ATOM 873 CD LYS A 59 1.571 10.521 -8.933 1.00 0.00 C ATOM 874 CE LYS A 59 2.875 11.112 -9.447 1.00 0.00 C ATOM 875 NZ LYS A 59 3.036 10.910 -10.914 1.00 0.00 N ATOM 0 H LYS A 59 2.577 8.847 -5.482 1.00 0.00 H new ATOM 0 HA LYS A 59 0.087 10.030 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.044 8.244 -7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.306 9.359 -7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.341 11.231 -6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.629 10.060 -7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.379 9.571 -9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.745 11.186 -9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.904 12.178 -9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.713 10.653 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.937 11.327 -11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.034 9.892 -11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.250 11.370 -11.416 1.00 0.00 H new ATOM 889 N LEU A 60 0.032 6.746 -5.077 1.00 0.00 N ATOM 890 CA LEU A 60 -0.795 5.586 -4.764 1.00 0.00 C ATOM 891 C LEU A 60 -1.488 5.760 -3.416 1.00 0.00 C ATOM 892 O LEU A 60 -2.696 5.550 -3.296 1.00 0.00 O ATOM 893 CB LEU A 60 0.057 4.316 -4.752 1.00 0.00 C ATOM 894 CG LEU A 60 -0.702 3.000 -4.573 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.074 2.793 -3.113 1.00 0.00 C ATOM 896 CD2 LEU A 60 -1.945 2.978 -5.450 1.00 0.00 C ATOM 0 H LEU A 60 1.017 6.532 -5.232 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.559 5.496 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.613 4.267 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.790 4.402 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.050 2.182 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.613 1.852 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.168 2.764 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.708 3.615 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.473 2.035 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.600 3.804 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.654 3.079 -6.496 1.00 0.00 H new ATOM 908 N ILE A 61 -0.717 6.145 -2.405 1.00 0.00 N ATOM 909 CA ILE A 61 -1.257 6.350 -1.067 1.00 0.00 C ATOM 910 C ILE A 61 -2.271 7.489 -1.052 1.00 0.00 C ATOM 911 O ILE A 61 -3.454 7.277 -0.790 1.00 0.00 O ATOM 912 CB ILE A 61 -0.142 6.658 -0.050 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.928 5.565 -0.088 1.00 0.00 C ATOM 914 CG2 ILE A 61 -0.723 6.789 1.350 1.00 0.00 C ATOM 915 CD1 ILE A 61 0.384 4.177 0.166 1.00 0.00 C ATOM 0 H ILE A 61 0.284 6.321 -2.487 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.752 5.422 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 61 0.323 7.606 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.418 5.582 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.691 5.789 0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.077 7.007 2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.452 7.599 1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.211 5.855 1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.198 3.454 0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.081 4.143 1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.358 3.932 -0.594 1.00 0.00 H new ATOM 927 N ASN A 62 -1.799 8.698 -1.339 1.00 0.00 N ATOM 928 CA ASN A 62 -2.665 9.872 -1.360 1.00 0.00 C ATOM 929 C ASN A 62 -3.885 9.631 -2.243 1.00 0.00 C ATOM 930 O ASN A 62 -4.987 10.087 -1.936 1.00 0.00 O ATOM 931 CB ASN A 62 -1.891 11.093 -1.861 1.00 0.00 C ATOM 932 CG ASN A 62 -0.925 11.631 -0.823 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.167 11.527 0.380 1.00 0.00 O ATOM 934 ND2 ASN A 62 0.177 12.211 -1.285 1.00 0.00 N ATOM 0 H ASN A 62 -0.822 8.891 -1.560 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.007 10.060 -0.342 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.340 10.825 -2.762 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.595 11.877 -2.139 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.864 12.592 -0.634 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.336 12.275 -2.290 1.00 0.00 H new ATOM 941 N PHE A 63 -3.681 8.912 -3.341 1.00 0.00 N ATOM 942 CA PHE A 63 -4.765 8.610 -4.270 1.00 0.00 C ATOM 943 C PHE A 63 -5.958 8.006 -3.536 1.00 0.00 C ATOM 944 O PHE A 63 -7.078 8.508 -3.632 1.00 0.00 O ATOM 945 CB PHE A 63 -4.280 7.649 -5.357 1.00 0.00 C ATOM 946 CG PHE A 63 -5.397 6.985 -6.111 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.165 7.704 -7.013 1.00 0.00 C ATOM 948 CD2 PHE A 63 -5.678 5.642 -5.918 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.193 7.096 -7.709 1.00 0.00 C ATOM 950 CE2 PHE A 63 -6.705 5.029 -6.612 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.464 5.757 -7.507 1.00 0.00 C ATOM 0 H PHE A 63 -2.775 8.527 -3.610 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.082 9.543 -4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.652 8.196 -6.060 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.654 6.882 -4.900 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.958 8.752 -7.174 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.089 5.068 -5.218 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.783 7.667 -8.410 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.913 3.981 -6.454 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.268 5.280 -8.048 1.00 0.00 H new ATOM 961 N ILE A 64 -5.710 6.926 -2.804 1.00 0.00 N ATOM 962 CA ILE A 64 -6.763 6.253 -2.053 1.00 0.00 C ATOM 963 C ILE A 64 -7.322 7.157 -0.960 1.00 0.00 C ATOM 964 O ILE A 64 -8.409 6.915 -0.436 1.00 0.00 O ATOM 965 CB ILE A 64 -6.253 4.948 -1.413 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.512 4.102 -2.450 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.410 4.166 -0.811 1.00 0.00 C ATOM 968 CD1 ILE A 64 -4.866 2.864 -1.869 1.00 0.00 C ATOM 0 H ILE A 64 -4.789 6.498 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.554 6.014 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.557 5.200 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.211 3.804 -3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.745 4.714 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.034 3.247 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.898 4.770 -0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.129 3.921 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.359 2.313 -2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.142 3.155 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.631 2.231 -1.419 1.00 0.00 H new ATOM 980 N ARG A 65 -6.572 8.202 -0.623 1.00 0.00 N ATOM 981 CA ARG A 65 -6.994 9.144 0.407 1.00 0.00 C ATOM 982 C ARG A 65 -7.979 10.162 -0.157 1.00 0.00 C ATOM 983 O ARG A 65 -8.990 10.479 0.472 1.00 0.00 O ATOM 984 CB ARG A 65 -5.780 9.865 0.996 1.00 0.00 C ATOM 985 CG ARG A 65 -4.716 8.924 1.538 1.00 0.00 C ATOM 986 CD ARG A 65 -5.018 8.507 2.969 1.00 0.00 C ATOM 987 NE ARG A 65 -3.799 8.268 3.738 1.00 0.00 N ATOM 988 CZ ARG A 65 -3.790 7.731 4.953 1.00 0.00 C ATOM 989 NH1 ARG A 65 -4.929 7.381 5.535 1.00 0.00 N ATOM 990 NH2 ARG A 65 -2.641 7.545 5.589 1.00 0.00 N ATOM 0 H ARG A 65 -5.670 8.417 -1.048 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.493 8.581 1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.336 10.498 0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.113 10.524 1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.655 8.039 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.742 9.412 1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.608 9.284 3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.626 7.602 2.962 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.906 8.528 3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.815 7.524 5.050 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.919 6.969 6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.763 7.814 5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.635 7.133 6.522 1.00 0.00 H new ATOM 1004 N LEU A 66 -7.679 10.672 -1.347 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.538 11.656 -1.997 1.00 0.00 C ATOM 1006 C LEU A 66 -9.746 10.983 -2.640 1.00 0.00 C ATOM 1007 O LEU A 66 -10.869 11.479 -2.548 1.00 0.00 O ATOM 1008 CB LEU A 66 -7.750 12.432 -3.053 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.503 13.561 -3.757 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.555 14.699 -4.105 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.196 13.041 -5.008 1.00 0.00 C ATOM 0 H LEU A 66 -6.847 10.420 -1.881 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.894 12.350 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.864 12.854 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.403 11.728 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.264 13.944 -3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.109 15.494 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.105 15.090 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.771 14.330 -4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.727 13.858 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.453 12.631 -5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.905 12.260 -4.733 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.509 9.848 -3.290 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.577 9.104 -3.947 1.00 0.00 C ATOM 1025 C LYS A 67 -11.240 8.133 -2.975 1.00 0.00 C ATOM 1026 O LYS A 67 -12.440 8.219 -2.720 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.026 8.339 -5.152 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.265 9.214 -6.133 1.00 0.00 C ATOM 1029 CD LYS A 67 -10.181 10.218 -6.812 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.713 9.682 -8.132 1.00 0.00 C ATOM 1031 NZ LYS A 67 -11.798 10.542 -8.683 1.00 0.00 N ATOM 0 H LYS A 67 -8.586 9.423 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.327 9.817 -4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.367 7.547 -4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.852 7.857 -5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.469 9.743 -5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.788 8.587 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.015 10.456 -6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.638 11.147 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.898 9.619 -8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.090 8.670 -7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.134 10.143 -9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.587 10.582 -8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.432 11.502 -8.845 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.450 7.211 -2.435 1.00 0.00 N ATOM 1046 CA ASN A 68 -10.961 6.225 -1.490 1.00 0.00 C ATOM 1047 C ASN A 68 -11.840 5.199 -2.197 1.00 0.00 C ATOM 1048 O ASN A 68 -12.987 4.960 -1.818 1.00 0.00 O ATOM 1049 CB ASN A 68 -11.756 6.916 -0.380 1.00 0.00 C ATOM 1050 CG ASN A 68 -11.047 8.141 0.163 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -11.187 9.241 -0.373 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -10.280 7.956 1.231 1.00 0.00 N ATOM 0 H ASN A 68 -9.454 7.126 -2.636 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.110 5.706 -1.049 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.734 7.206 -0.764 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.929 6.210 0.432 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.777 8.743 1.640 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.194 7.026 1.642 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.292 4.575 -3.250 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.008 3.563 -4.033 1.00 0.00 C ATOM 1061 C PRO A 69 -12.219 2.270 -3.253 1.00 0.00 C ATOM 1062 O PRO A 69 -12.078 2.239 -2.030 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.085 3.321 -5.229 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.726 3.689 -4.741 1.00 0.00 C ATOM 1065 CD PRO A 69 -9.929 4.809 -3.758 1.00 0.00 C ATOM 0 HA PRO A 69 -13.009 3.895 -4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.121 2.281 -5.552 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.377 3.931 -6.084 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.238 2.838 -4.267 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.087 4.005 -5.566 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.191 4.779 -2.957 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -9.840 5.784 -4.236 1.00 0.00 H new ATOM 1073 N THR A 70 -12.559 1.202 -3.968 1.00 0.00 N ATOM 1074 CA THR A 70 -12.791 -0.094 -3.342 1.00 0.00 C ATOM 1075 C THR A 70 -11.696 -1.088 -3.715 1.00 0.00 C ATOM 1076 O THR A 70 -11.186 -1.074 -4.835 1.00 0.00 O ATOM 1077 CB THR A 70 -14.157 -0.678 -3.748 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.385 -1.914 -3.063 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.224 -0.905 -5.251 1.00 0.00 C ATOM 0 H THR A 70 -12.680 1.209 -4.981 1.00 0.00 H new ATOM 0 HA THR A 70 -12.780 0.069 -2.264 1.00 0.00 H new ATOM 0 HB THR A 70 -14.930 0.038 -3.470 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.256 -2.278 -3.326 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.198 -1.318 -5.514 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.080 0.043 -5.769 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.442 -1.603 -5.549 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.339 -1.950 -2.768 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.305 -2.953 -2.997 1.00 0.00 C ATOM 1089 C VAL A 71 -10.314 -3.429 -4.446 1.00 0.00 C ATOM 1090 O VAL A 71 -9.315 -3.306 -5.155 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.486 -4.168 -2.068 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.464 -5.246 -2.394 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.379 -3.744 -0.611 1.00 0.00 C ATOM 0 H VAL A 71 -11.750 -1.974 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.349 -2.478 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.481 -4.583 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.607 -6.097 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.593 -5.569 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.459 -4.846 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.509 -4.615 0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.398 -3.304 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.153 -3.009 -0.388 1.00 0.00 H new ATOM 1103 N GLU A 72 -11.447 -3.972 -4.878 1.00 0.00 N ATOM 1104 CA GLU A 72 -11.585 -4.467 -6.243 1.00 0.00 C ATOM 1105 C GLU A 72 -11.127 -3.417 -7.251 1.00 0.00 C ATOM 1106 O GLU A 72 -10.403 -3.724 -8.198 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.037 -4.860 -6.522 1.00 0.00 C ATOM 1108 CG GLU A 72 -13.563 -5.944 -5.597 1.00 0.00 C ATOM 1109 CD GLU A 72 -15.065 -6.124 -5.703 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -15.801 -5.368 -5.035 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -15.504 -7.020 -6.454 1.00 0.00 O ATOM 0 H GLU A 72 -12.283 -4.081 -4.303 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.952 -5.348 -6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.668 -3.976 -6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.120 -5.203 -7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.070 -6.887 -5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.302 -5.696 -4.568 1.00 0.00 H new ATOM 1118 N TYR A 73 -11.556 -2.177 -7.040 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.194 -1.082 -7.932 1.00 0.00 C ATOM 1120 C TYR A 73 -9.690 -0.827 -7.899 1.00 0.00 C ATOM 1121 O TYR A 73 -9.086 -0.477 -8.913 1.00 0.00 O ATOM 1122 CB TYR A 73 -11.946 0.191 -7.541 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.579 1.394 -8.381 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -10.347 2.019 -8.232 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -12.464 1.905 -9.323 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -10.007 3.119 -8.997 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -12.132 3.003 -10.093 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.903 3.606 -9.926 1.00 0.00 C ATOM 1129 OH TYR A 73 -10.569 4.701 -10.690 1.00 0.00 O ATOM 0 H TYR A 73 -12.154 -1.906 -6.260 1.00 0.00 H new ATOM 0 HA TYR A 73 -11.474 -1.366 -8.946 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.018 0.011 -7.628 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.744 0.415 -6.493 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.643 1.639 -7.506 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.428 1.436 -9.455 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.046 3.594 -8.868 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.831 3.387 -10.821 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.309 4.915 -11.296 1.00 0.00 H new ATOM 1139 N MET A 74 -9.091 -1.007 -6.726 1.00 0.00 N ATOM 1140 CA MET A 74 -7.657 -0.799 -6.560 1.00 0.00 C ATOM 1141 C MET A 74 -6.863 -1.827 -7.359 1.00 0.00 C ATOM 1142 O MET A 74 -5.638 -1.754 -7.437 1.00 0.00 O ATOM 1143 CB MET A 74 -7.276 -0.879 -5.081 1.00 0.00 C ATOM 1144 CG MET A 74 -7.473 0.428 -4.331 1.00 0.00 C ATOM 1145 SD MET A 74 -6.561 1.797 -5.070 1.00 0.00 S ATOM 1146 CE MET A 74 -4.921 1.086 -5.189 1.00 0.00 C ATOM 0 H MET A 74 -9.576 -1.296 -5.877 1.00 0.00 H new ATOM 0 HA MET A 74 -7.413 0.194 -6.936 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.872 -1.656 -4.602 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.232 -1.182 -4.999 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.535 0.674 -4.309 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.154 0.300 -3.297 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.398 1.519 -6.042 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.365 1.299 -4.276 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.001 0.007 -5.322 1.00 0.00 H new ATOM 1156 N ASN A 75 -7.570 -2.785 -7.950 1.00 0.00 N ATOM 1157 CA ASN A 75 -6.930 -3.830 -8.741 1.00 0.00 C ATOM 1158 C ASN A 75 -7.218 -3.640 -10.227 1.00 0.00 C ATOM 1159 O ASN A 75 -6.441 -4.068 -11.081 1.00 0.00 O ATOM 1160 CB ASN A 75 -7.412 -5.210 -8.289 1.00 0.00 C ATOM 1161 CG ASN A 75 -6.624 -5.738 -7.106 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -5.400 -5.851 -7.162 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -7.326 -6.065 -6.027 1.00 0.00 N ATOM 0 H ASN A 75 -8.586 -2.859 -7.896 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.853 -3.760 -8.585 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.468 -5.154 -8.023 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.329 -5.911 -9.120 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.851 -6.427 -5.200 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.340 -5.955 -6.025 1.00 0.00 H new ATOM 1170 N SER A 76 -8.340 -2.994 -10.529 1.00 0.00 N ATOM 1171 CA SER A 76 -8.733 -2.749 -11.912 1.00 0.00 C ATOM 1172 C SER A 76 -8.192 -1.410 -12.402 1.00 0.00 C ATOM 1173 O SER A 76 -8.930 -0.429 -12.504 1.00 0.00 O ATOM 1174 CB SER A 76 -10.257 -2.775 -12.043 1.00 0.00 C ATOM 1175 OG SER A 76 -10.857 -1.801 -11.207 1.00 0.00 O ATOM 0 H SER A 76 -8.993 -2.631 -9.835 1.00 0.00 H new ATOM 0 HA SER A 76 -8.308 -3.540 -12.530 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.539 -2.593 -13.080 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.631 -3.765 -11.780 1.00 0.00 H new ATOM 0 HG SER A 76 -10.488 -0.918 -11.417 1.00 0.00 H new ATOM 1181 N ILE A 77 -6.898 -1.376 -12.703 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.257 -0.158 -13.184 1.00 0.00 C ATOM 1183 C ILE A 77 -5.451 -0.424 -14.450 1.00 0.00 C ATOM 1184 O ILE A 77 -4.924 -1.520 -14.645 1.00 0.00 O ATOM 1185 CB ILE A 77 -5.329 0.448 -12.115 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -6.151 1.020 -10.958 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -4.448 1.526 -12.729 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -6.405 0.025 -9.848 1.00 0.00 C ATOM 0 H ILE A 77 -6.273 -2.178 -12.622 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.054 0.552 -13.407 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.687 -0.341 -11.724 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.632 1.886 -10.547 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.107 1.375 -11.343 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.798 1.945 -11.961 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.840 1.091 -13.522 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.075 2.315 -13.144 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.993 0.499 -9.062 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.952 -0.831 -10.244 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.454 -0.312 -9.436 1.00 0.00 H new ATOM 1200 N TYR A 78 -5.357 0.586 -15.308 1.00 0.00 N ATOM 1201 CA TYR A 78 -4.614 0.462 -16.556 1.00 0.00 C ATOM 1202 C TYR A 78 -4.169 1.830 -17.064 1.00 0.00 C ATOM 1203 O TYR A 78 -4.995 2.683 -17.387 1.00 0.00 O ATOM 1204 CB TYR A 78 -5.471 -0.234 -17.616 1.00 0.00 C ATOM 1205 CG TYR A 78 -6.916 0.209 -17.613 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -7.824 -0.322 -16.704 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -7.374 1.159 -18.517 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -9.146 0.080 -16.698 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -8.694 1.567 -18.518 1.00 0.00 C ATOM 1210 CZ TYR A 78 -9.576 1.024 -17.607 1.00 0.00 C ATOM 1211 OH TYR A 78 -10.892 1.428 -17.603 1.00 0.00 O ATOM 0 H TYR A 78 -5.786 1.500 -15.162 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.726 -0.140 -16.363 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.043 -0.043 -18.600 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.430 -1.311 -17.455 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.491 -1.061 -15.991 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.686 1.586 -19.232 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.839 -0.343 -15.985 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.033 2.307 -19.228 1.00 0.00 H new ATOM 0 HH TYR A 78 -11.031 2.098 -18.304 1.00 0.00 H new ATOM 1221 N ASN A 79 -2.857 2.030 -17.132 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.300 3.294 -17.601 1.00 0.00 C ATOM 1223 C ASN A 79 -3.146 3.877 -18.729 1.00 0.00 C ATOM 1224 O ASN A 79 -3.510 3.190 -19.683 1.00 0.00 O ATOM 1225 CB ASN A 79 -0.861 3.095 -18.078 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.112 2.072 -17.246 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.126 2.399 -15.981 1.00 0.00 O flip ATOM 1228 ND2 ASN A 79 0.249 1.002 -17.735 1.00 0.00 N flip ATOM 0 H ASN A 79 -2.160 1.334 -16.869 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.306 3.996 -16.767 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.867 2.777 -19.121 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.333 4.048 -18.039 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.044 0.793 -18.712 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.753 0.324 -17.163 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.467 5.174 -18.619 1.00 0.00 N ATOM 1236 CA PRO A 80 -3.040 6.002 -17.487 1.00 0.00 C ATOM 1237 C PRO A 80 -3.743 5.617 -16.190 1.00 0.00 C ATOM 1238 O PRO A 80 -4.945 5.348 -16.179 1.00 0.00 O ATOM 1239 CB PRO A 80 -3.439 7.417 -17.912 1.00 0.00 C ATOM 1240 CG PRO A 80 -4.561 7.222 -18.872 1.00 0.00 C ATOM 1241 CD PRO A 80 -4.272 5.933 -19.591 1.00 0.00 C ATOM 0 HA PRO A 80 -1.976 5.889 -17.278 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.750 8.015 -17.055 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.605 7.940 -18.379 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.517 7.172 -18.350 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.624 8.054 -19.573 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.189 5.405 -19.853 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.726 6.104 -20.519 1.00 0.00 H new ATOM 1249 N VAL A 81 -2.987 5.593 -15.096 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.539 5.243 -13.793 1.00 0.00 C ATOM 1251 C VAL A 81 -4.385 6.380 -13.230 1.00 0.00 C ATOM 1252 O VAL A 81 -4.174 7.554 -13.537 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.425 4.900 -12.786 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.615 3.707 -13.272 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.527 6.106 -12.554 1.00 0.00 C ATOM 0 H VAL A 81 -1.991 5.812 -15.087 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.168 4.365 -13.941 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.887 4.632 -11.836 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.833 3.479 -12.548 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.270 2.843 -13.382 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.161 3.943 -14.234 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.746 5.846 -11.840 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.071 6.407 -13.497 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.120 6.931 -12.158 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.365 6.026 -12.386 1.00 0.00 N ATOM 1266 CA PRO A 82 -6.262 7.003 -11.762 1.00 0.00 C ATOM 1267 C PRO A 82 -5.549 7.866 -10.727 1.00 0.00 C ATOM 1268 O PRO A 82 -6.167 8.710 -10.077 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.324 6.129 -11.089 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.643 4.827 -10.842 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.673 4.646 -11.976 1.00 0.00 C ATOM 0 HA PRO A 82 -6.667 7.707 -12.489 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.673 6.576 -10.158 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.197 6.004 -11.729 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.125 4.833 -9.883 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.363 4.010 -10.810 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.778 4.112 -11.657 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.112 4.073 -12.793 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.248 7.650 -10.579 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.451 8.410 -9.622 1.00 0.00 C ATOM 1281 C TRP A 83 -2.246 9.050 -10.304 1.00 0.00 C ATOM 1282 O TRP A 83 -1.298 9.470 -9.642 1.00 0.00 O ATOM 1283 CB TRP A 83 -2.984 7.503 -8.482 1.00 0.00 C ATOM 1284 CG TRP A 83 -2.072 6.403 -8.933 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.762 6.524 -9.299 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.402 5.016 -9.066 1.00 0.00 C ATOM 1287 NE1 TRP A 83 -0.257 5.295 -9.653 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -1.243 4.354 -9.517 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.562 4.269 -8.846 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -1.215 2.982 -9.753 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.532 2.908 -9.081 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.365 2.276 -9.530 1.00 0.00 C ATOM 0 H TRP A 83 -3.722 6.955 -11.109 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.078 9.203 -9.213 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.470 8.107 -7.734 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.856 7.066 -7.995 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.205 7.449 -9.309 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.697 5.114 -9.966 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.466 4.747 -8.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.317 2.493 -10.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.423 2.321 -8.916 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.374 1.210 -9.703 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.291 9.121 -11.631 1.00 0.00 N ATOM 1304 CA GLU A 84 -1.202 9.710 -12.401 1.00 0.00 C ATOM 1305 C GLU A 84 -1.335 11.229 -12.457 1.00 0.00 C ATOM 1306 O GLU A 84 -1.093 11.848 -13.493 1.00 0.00 O ATOM 1307 CB GLU A 84 -1.182 9.136 -13.819 1.00 0.00 C ATOM 1308 CG GLU A 84 0.216 8.984 -14.395 1.00 0.00 C ATOM 1309 CD GLU A 84 0.777 10.293 -14.917 1.00 0.00 C ATOM 1310 OE1 GLU A 84 0.385 10.706 -16.028 1.00 0.00 O ATOM 1311 OE2 GLU A 84 1.609 10.904 -14.213 1.00 0.00 O ATOM 0 H GLU A 84 -3.069 8.778 -12.194 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.264 9.463 -11.904 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.672 8.162 -13.815 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.766 9.784 -14.472 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.881 8.589 -13.627 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.194 8.254 -15.204 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.722 11.825 -11.334 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.887 13.271 -11.252 1.00 0.00 C ATOM 1320 C LYS A 85 -1.082 13.846 -10.091 1.00 0.00 C ATOM 1321 O LYS A 85 -1.020 13.254 -9.013 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.366 13.628 -11.087 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.247 13.101 -12.207 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.163 13.981 -13.443 1.00 0.00 C ATOM 1325 CE LYS A 85 -4.672 13.256 -14.679 1.00 0.00 C ATOM 1326 NZ LYS A 85 -5.157 14.205 -15.719 1.00 0.00 N ATOM 0 H LYS A 85 -1.927 11.328 -10.467 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.516 13.707 -12.180 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.723 13.230 -10.137 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.466 14.712 -11.037 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.945 12.085 -12.461 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.281 13.050 -11.865 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.747 14.888 -13.286 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.130 14.290 -13.601 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.874 12.640 -15.093 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.481 12.582 -14.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.495 13.671 -16.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.936 14.775 -15.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.379 14.832 -16.007 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.469 15.002 -10.317 1.00 0.00 N ATOM 1341 CA ASP A 86 0.330 15.659 -9.289 1.00 0.00 C ATOM 1342 C ASP A 86 -0.502 15.916 -8.036 1.00 0.00 C ATOM 1343 O ASP A 86 -0.046 15.679 -6.918 1.00 0.00 O ATOM 1344 CB ASP A 86 0.899 16.976 -9.818 1.00 0.00 C ATOM 1345 CG ASP A 86 -0.059 18.137 -9.631 1.00 0.00 C ATOM 1346 OD1 ASP A 86 -0.935 18.328 -10.499 1.00 0.00 O ATOM 1347 OD2 ASP A 86 0.069 18.854 -8.616 1.00 0.00 O ATOM 0 H ASP A 86 -0.510 15.504 -11.204 1.00 0.00 H new ATOM 0 HA ASP A 86 1.155 14.996 -9.026 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.836 17.196 -9.306 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.132 16.868 -10.877 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.723 16.403 -8.233 1.00 0.00 N ATOM 1353 CA GLU A 87 -2.617 16.694 -7.118 1.00 0.00 C ATOM 1354 C GLU A 87 -2.518 15.613 -6.045 1.00 0.00 C ATOM 1355 O GLU A 87 -2.660 15.891 -4.854 1.00 0.00 O ATOM 1356 CB GLU A 87 -4.061 16.808 -7.610 1.00 0.00 C ATOM 1357 CG GLU A 87 -4.252 17.847 -8.703 1.00 0.00 C ATOM 1358 CD GLU A 87 -5.701 18.260 -8.869 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -6.437 17.563 -9.599 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -6.099 19.280 -8.269 1.00 0.00 O ATOM 0 H GLU A 87 -2.115 16.604 -9.153 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.313 17.645 -6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.387 15.837 -7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.705 17.058 -6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.652 18.727 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.882 17.448 -9.647 1.00 0.00 H new ATOM 1367 N TYR A 88 -2.274 14.381 -6.476 1.00 0.00 N ATOM 1368 CA TYR A 88 -2.159 13.258 -5.553 1.00 0.00 C ATOM 1369 C TYR A 88 -0.837 13.310 -4.793 1.00 0.00 C ATOM 1370 O TYR A 88 -0.783 13.019 -3.597 1.00 0.00 O ATOM 1371 CB TYR A 88 -2.271 11.934 -6.312 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.618 11.724 -6.967 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.763 11.540 -6.201 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.745 11.709 -8.350 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.996 11.347 -6.795 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -4.973 11.518 -8.952 1.00 0.00 C ATOM 1377 CZ TYR A 88 -6.096 11.337 -8.171 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.321 11.146 -8.767 1.00 0.00 O ATOM 0 H TYR A 88 -2.152 14.134 -7.458 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.974 13.328 -4.833 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.495 11.896 -7.076 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.080 11.112 -5.622 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.688 11.548 -5.124 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.868 11.849 -8.965 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.876 11.205 -6.185 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.054 11.510 -10.029 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.294 10.335 -9.317 1.00 0.00 H new ATOM 1388 N LEU A 89 0.227 13.684 -5.495 1.00 0.00 N ATOM 1389 CA LEU A 89 1.550 13.776 -4.888 1.00 0.00 C ATOM 1390 C LEU A 89 1.480 14.471 -3.532 1.00 0.00 C ATOM 1391 O LEU A 89 2.124 14.049 -2.571 1.00 0.00 O ATOM 1392 CB LEU A 89 2.505 14.533 -5.812 1.00 0.00 C ATOM 1393 CG LEU A 89 3.000 13.766 -7.040 1.00 0.00 C ATOM 1394 CD1 LEU A 89 3.676 14.710 -8.022 1.00 0.00 C ATOM 1395 CD2 LEU A 89 3.951 12.653 -6.625 1.00 0.00 C ATOM 0 H LEU A 89 0.199 13.928 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 89 1.925 12.763 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.006 15.441 -6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.372 14.845 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 89 2.140 13.316 -7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.022 14.147 -8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.965 15.471 -8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.527 15.190 -7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.293 12.118 -7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.808 13.082 -6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.433 11.961 -5.960 1.00 0.00 H new ATOM 1407 N LYS A 90 0.692 15.539 -3.460 1.00 0.00 N ATOM 1408 CA LYS A 90 0.533 16.291 -2.221 1.00 0.00 C ATOM 1409 C LYS A 90 -0.035 15.407 -1.116 1.00 0.00 C ATOM 1410 O LYS A 90 -0.867 14.532 -1.355 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.383 17.496 -2.446 1.00 0.00 C ATOM 1412 CG LYS A 90 0.352 18.739 -2.918 1.00 0.00 C ATOM 1413 CD LYS A 90 -0.576 19.688 -3.659 1.00 0.00 C ATOM 1414 CE LYS A 90 -1.423 20.505 -2.696 1.00 0.00 C ATOM 1415 NZ LYS A 90 -0.600 21.473 -1.918 1.00 0.00 N ATOM 0 H LYS A 90 0.153 15.903 -4.246 1.00 0.00 H new ATOM 0 HA LYS A 90 1.517 16.643 -1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.143 17.232 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.905 17.724 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.789 19.251 -2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.175 18.450 -3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.012 20.358 -4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.226 19.118 -4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.188 21.045 -3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.941 19.835 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.215 22.214 -1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.119 20.975 -1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.109 21.907 -2.543 1.00 0.00 H new ATOM 1429 N PRO A 91 0.422 15.639 0.123 1.00 0.00 N ATOM 1430 CA PRO A 91 -0.029 14.875 1.290 1.00 0.00 C ATOM 1431 C PRO A 91 -1.476 15.183 1.661 1.00 0.00 C ATOM 1432 O PRO A 91 -1.748 16.116 2.417 1.00 0.00 O ATOM 1433 CB PRO A 91 0.917 15.334 2.402 1.00 0.00 C ATOM 1434 CG PRO A 91 1.363 16.692 1.983 1.00 0.00 C ATOM 1435 CD PRO A 91 1.415 16.667 0.481 1.00 0.00 C ATOM 0 HA PRO A 91 -0.005 13.801 1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.410 15.364 3.366 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.763 14.655 2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.671 17.456 2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.341 16.928 2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.161 17.637 0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.410 16.409 0.117 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.400 14.393 1.124 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.819 14.580 1.400 1.00 0.00 C ATOM 1445 C VAL A 92 -4.059 14.861 2.879 1.00 0.00 C ATOM 1446 O VAL A 92 -4.967 15.612 3.240 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.640 13.345 0.983 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.124 13.587 1.215 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.370 12.992 -0.472 1.00 0.00 C ATOM 0 H VAL A 92 -2.191 13.617 0.495 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.145 15.438 0.813 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.333 12.501 1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.688 12.704 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.299 13.787 2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.450 14.444 0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.958 12.117 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.648 13.833 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.310 12.773 -0.603 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.241 14.255 3.731 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.363 14.439 5.173 1.00 0.00 C ATOM 1461 C LEU A 93 -2.113 15.102 5.745 1.00 0.00 C ATOM 1462 O LEU A 93 -1.210 15.487 5.004 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.601 13.094 5.861 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.454 12.087 5.089 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.579 11.212 4.206 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.270 11.233 6.049 1.00 0.00 C ATOM 0 H LEU A 93 -2.485 13.631 3.448 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.216 15.091 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.633 12.637 6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.077 13.280 6.824 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.143 12.638 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.204 10.502 3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.040 11.837 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.865 10.669 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.871 10.522 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.598 10.691 6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.926 11.874 6.638 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.070 15.230 7.067 1.00 0.00 N ATOM 1479 CA GLU A 94 -0.931 15.845 7.737 1.00 0.00 C ATOM 1480 C GLU A 94 -0.068 14.789 8.423 1.00 0.00 C ATOM 1481 O GLU A 94 -0.581 13.809 8.964 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.409 16.874 8.764 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.435 18.021 8.975 1.00 0.00 C ATOM 1484 CD GLU A 94 0.607 17.715 10.033 1.00 0.00 C ATOM 1485 OE1 GLU A 94 0.321 16.887 10.923 1.00 0.00 O ATOM 1486 OE2 GLU A 94 1.706 18.303 9.972 1.00 0.00 O ATOM 0 H GLU A 94 -2.810 14.916 7.695 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.327 16.349 6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.369 17.278 8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.578 16.372 9.717 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.065 18.246 8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.989 18.914 9.264 1.00 0.00 H new ATOM 1493 N ASP A 95 1.244 14.996 8.396 1.00 0.00 N ATOM 1494 CA ASP A 95 2.178 14.064 9.015 1.00 0.00 C ATOM 1495 C ASP A 95 1.891 12.632 8.572 1.00 0.00 C ATOM 1496 O ASP A 95 1.718 11.738 9.400 1.00 0.00 O ATOM 1497 CB ASP A 95 2.098 14.164 10.539 1.00 0.00 C ATOM 1498 CG ASP A 95 3.417 13.837 11.211 1.00 0.00 C ATOM 1499 OD1 ASP A 95 4.037 12.820 10.837 1.00 0.00 O ATOM 1500 OD2 ASP A 95 3.830 14.598 12.112 1.00 0.00 O ATOM 0 H ASP A 95 1.685 15.802 7.952 1.00 0.00 H new ATOM 0 HA ASP A 95 3.185 14.331 8.693 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.791 15.172 10.818 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.329 13.484 10.905 1.00 0.00 H new ATOM 1505 N ASP A 96 1.842 12.423 7.261 1.00 0.00 N ATOM 1506 CA ASP A 96 1.576 11.101 6.707 1.00 0.00 C ATOM 1507 C ASP A 96 2.770 10.174 6.915 1.00 0.00 C ATOM 1508 O ASP A 96 3.907 10.530 6.604 1.00 0.00 O ATOM 1509 CB ASP A 96 1.249 11.205 5.217 1.00 0.00 C ATOM 1510 CG ASP A 96 0.196 12.256 4.927 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.144 13.262 5.664 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.577 12.071 3.963 1.00 0.00 O ATOM 0 H ASP A 96 1.983 13.152 6.562 1.00 0.00 H new ATOM 0 HA ASP A 96 0.717 10.681 7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.158 11.443 4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.901 10.237 4.856 1.00 0.00 H new ATOM 1517 N LEU A 97 2.504 8.985 7.444 1.00 0.00 N ATOM 1518 CA LEU A 97 3.557 8.007 7.696 1.00 0.00 C ATOM 1519 C LEU A 97 3.732 7.076 6.500 1.00 0.00 C ATOM 1520 O LEU A 97 4.839 6.619 6.212 1.00 0.00 O ATOM 1521 CB LEU A 97 3.233 7.191 8.948 1.00 0.00 C ATOM 1522 CG LEU A 97 2.942 7.994 10.216 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.472 7.076 11.334 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.175 8.775 10.648 1.00 0.00 C ATOM 0 H LEU A 97 1.569 8.675 7.707 1.00 0.00 H new ATOM 0 HA LEU A 97 4.491 8.547 7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.369 6.562 8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.071 6.523 9.149 1.00 0.00 H new ATOM 0 HG LEU A 97 2.144 8.704 9.997 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.270 7.666 12.228 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.562 6.562 11.025 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.247 6.341 11.552 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.949 9.341 11.552 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.993 8.083 10.848 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.467 9.462 9.854 1.00 0.00 H new ATOM 1536 N LEU A 98 2.634 6.801 5.805 1.00 0.00 N ATOM 1537 CA LEU A 98 2.666 5.926 4.638 1.00 0.00 C ATOM 1538 C LEU A 98 3.498 6.543 3.518 1.00 0.00 C ATOM 1539 O LEU A 98 4.118 5.831 2.727 1.00 0.00 O ATOM 1540 CB LEU A 98 1.245 5.653 4.142 1.00 0.00 C ATOM 1541 CG LEU A 98 0.277 5.065 5.169 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -1.150 5.113 4.646 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.671 3.637 5.518 1.00 0.00 C ATOM 0 H LEU A 98 1.710 7.171 6.029 1.00 0.00 H new ATOM 0 HA LEU A 98 3.129 4.984 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.825 6.588 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.302 4.970 3.294 1.00 0.00 H new ATOM 0 HG LEU A 98 0.331 5.667 6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.825 4.690 5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.430 6.148 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.219 4.536 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.029 3.235 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.647 3.023 4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.678 3.629 5.936 1.00 0.00 H new ATOM 1555 N LEU A 99 3.509 7.870 3.459 1.00 0.00 N ATOM 1556 CA LEU A 99 4.268 8.584 2.437 1.00 0.00 C ATOM 1557 C LEU A 99 5.763 8.531 2.733 1.00 0.00 C ATOM 1558 O LEU A 99 6.568 8.222 1.855 1.00 0.00 O ATOM 1559 CB LEU A 99 3.803 10.039 2.353 1.00 0.00 C ATOM 1560 CG LEU A 99 2.631 10.316 1.411 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.408 9.516 1.831 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.313 11.804 1.378 1.00 0.00 C ATOM 0 H LEU A 99 3.002 8.473 4.106 1.00 0.00 H new ATOM 0 HA LEU A 99 4.089 8.096 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.524 10.369 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.648 10.652 2.039 1.00 0.00 H new ATOM 0 HG LEU A 99 2.916 10.004 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.584 9.726 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.642 8.452 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.121 9.796 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.476 11.982 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.049 12.142 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.186 12.355 1.028 1.00 0.00 H new ATOM 1574 N GLN A 100 6.126 8.834 3.975 1.00 0.00 N ATOM 1575 CA GLN A 100 7.525 8.820 4.387 1.00 0.00 C ATOM 1576 C GLN A 100 8.076 7.398 4.393 1.00 0.00 C ATOM 1577 O GLN A 100 9.289 7.191 4.346 1.00 0.00 O ATOM 1578 CB GLN A 100 7.676 9.444 5.775 1.00 0.00 C ATOM 1579 CG GLN A 100 7.403 8.473 6.912 1.00 0.00 C ATOM 1580 CD GLN A 100 7.840 9.014 8.259 1.00 0.00 C ATOM 1581 OE1 GLN A 100 8.827 8.555 8.834 1.00 0.00 O ATOM 1582 NE2 GLN A 100 7.105 9.994 8.771 1.00 0.00 N ATOM 0 H GLN A 100 5.471 9.092 4.713 1.00 0.00 H new ATOM 0 HA GLN A 100 8.095 9.408 3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.687 9.837 5.879 1.00 0.00 H new ATOM 0 HB3 GLN A 100 6.994 10.290 5.860 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.337 8.247 6.944 1.00 0.00 H new ATOM 0 HG3 GLN A 100 7.922 7.535 6.716 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.295 10.344 8.260 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.351 10.397 9.675 1.00 0.00 H new ATOM 1591 N PHE A 101 7.178 6.420 4.452 1.00 0.00 N ATOM 1592 CA PHE A 101 7.574 5.017 4.465 1.00 0.00 C ATOM 1593 C PHE A 101 8.602 4.732 3.374 1.00 0.00 C ATOM 1594 O PHE A 101 8.442 5.155 2.229 1.00 0.00 O ATOM 1595 CB PHE A 101 6.351 4.118 4.277 1.00 0.00 C ATOM 1596 CG PHE A 101 6.698 2.698 3.932 1.00 0.00 C ATOM 1597 CD1 PHE A 101 6.873 2.315 2.611 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.850 1.746 4.927 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.192 1.009 2.290 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.169 0.438 4.612 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.341 0.070 3.292 1.00 0.00 C ATOM 0 H PHE A 101 6.170 6.574 4.492 1.00 0.00 H new ATOM 0 HA PHE A 101 8.028 4.802 5.432 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.759 4.127 5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.723 4.532 3.488 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.759 3.046 1.824 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.718 2.029 5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.325 0.723 1.257 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.283 -0.295 5.397 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.592 -0.951 3.044 1.00 0.00 H new ATOM 1611 N ASP A 102 9.657 4.011 3.738 1.00 0.00 N ATOM 1612 CA ASP A 102 10.711 3.668 2.791 1.00 0.00 C ATOM 1613 C ASP A 102 10.213 2.652 1.767 1.00 0.00 C ATOM 1614 O ASP A 102 10.177 1.451 2.036 1.00 0.00 O ATOM 1615 CB ASP A 102 11.929 3.110 3.530 1.00 0.00 C ATOM 1616 CG ASP A 102 13.228 3.397 2.804 1.00 0.00 C ATOM 1617 OD1 ASP A 102 13.519 2.701 1.809 1.00 0.00 O ATOM 1618 OD2 ASP A 102 13.955 4.319 3.231 1.00 0.00 O ATOM 0 H ASP A 102 9.805 3.653 4.682 1.00 0.00 H new ATOM 0 HA ASP A 102 11.000 4.577 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.972 3.541 4.530 1.00 0.00 H new ATOM 0 HB3 ASP A 102 11.814 2.033 3.652 1.00 0.00 H new ATOM 1623 N VAL A 103 9.829 3.143 0.593 1.00 0.00 N ATOM 1624 CA VAL A 103 9.333 2.278 -0.471 1.00 0.00 C ATOM 1625 C VAL A 103 10.483 1.645 -1.246 1.00 0.00 C ATOM 1626 O VAL A 103 10.310 0.620 -1.904 1.00 0.00 O ATOM 1627 CB VAL A 103 8.434 3.054 -1.451 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.247 4.084 -2.221 1.00 0.00 C ATOM 1629 CG2 VAL A 103 7.732 2.097 -2.403 1.00 0.00 C ATOM 0 H VAL A 103 9.852 4.135 0.355 1.00 0.00 H new ATOM 0 HA VAL A 103 8.746 1.494 0.007 1.00 0.00 H new ATOM 0 HB VAL A 103 7.673 3.582 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.595 4.622 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.698 4.788 -1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.032 3.580 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.101 2.663 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.476 1.539 -2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.116 1.403 -1.832 1.00 0.00 H new ATOM 1639 N GLU A 104 11.657 2.262 -1.161 1.00 0.00 N ATOM 1640 CA GLU A 104 12.836 1.758 -1.855 1.00 0.00 C ATOM 1641 C GLU A 104 13.088 0.294 -1.506 1.00 0.00 C ATOM 1642 O GLU A 104 13.471 -0.503 -2.363 1.00 0.00 O ATOM 1643 CB GLU A 104 14.064 2.598 -1.498 1.00 0.00 C ATOM 1644 CG GLU A 104 14.000 4.023 -2.021 1.00 0.00 C ATOM 1645 CD GLU A 104 14.526 4.149 -3.437 1.00 0.00 C ATOM 1646 OE1 GLU A 104 15.626 3.622 -3.710 1.00 0.00 O ATOM 1647 OE2 GLU A 104 13.840 4.773 -4.273 1.00 0.00 O ATOM 0 H GLU A 104 11.817 3.111 -0.619 1.00 0.00 H new ATOM 0 HA GLU A 104 12.654 1.832 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.174 2.623 -0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.954 2.113 -1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.968 4.372 -1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.577 4.673 -1.364 1.00 0.00 H new ATOM 1654 N ASP A 105 12.871 -0.052 -0.242 1.00 0.00 N ATOM 1655 CA ASP A 105 13.074 -1.420 0.221 1.00 0.00 C ATOM 1656 C ASP A 105 12.369 -2.415 -0.695 1.00 0.00 C ATOM 1657 O ASP A 105 12.848 -3.530 -0.905 1.00 0.00 O ATOM 1658 CB ASP A 105 12.563 -1.576 1.655 1.00 0.00 C ATOM 1659 CG ASP A 105 11.094 -1.948 1.708 1.00 0.00 C ATOM 1660 OD1 ASP A 105 10.248 -1.034 1.619 1.00 0.00 O ATOM 1661 OD2 ASP A 105 10.791 -3.152 1.840 1.00 0.00 O ATOM 0 H ASP A 105 12.555 0.595 0.480 1.00 0.00 H new ATOM 0 HA ASP A 105 14.143 -1.630 0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.148 -2.342 2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.719 -0.643 2.197 1.00 0.00 H new ATOM 1666 N LEU A 106 11.227 -2.005 -1.237 1.00 0.00 N ATOM 1667 CA LEU A 106 10.454 -2.861 -2.131 1.00 0.00 C ATOM 1668 C LEU A 106 11.220 -3.133 -3.422 1.00 0.00 C ATOM 1669 O LEU A 106 11.123 -4.218 -3.996 1.00 0.00 O ATOM 1670 CB LEU A 106 9.106 -2.211 -2.451 1.00 0.00 C ATOM 1671 CG LEU A 106 8.281 -1.751 -1.249 1.00 0.00 C ATOM 1672 CD1 LEU A 106 6.974 -1.123 -1.708 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.013 -2.916 -0.308 1.00 0.00 C ATOM 0 H LEU A 106 10.816 -1.086 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 106 10.282 -3.811 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.284 -1.350 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.510 -2.921 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 106 8.853 -0.997 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.400 -0.802 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.187 -0.262 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.397 -1.855 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.425 -2.570 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.462 -3.693 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.960 -3.322 0.048 1.00 0.00 H new