USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 863 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 92 THR OG1 : rot 130:sc= 1.16 USER MOD Set 1.2: A 94 GLN : amide:sc= -2.47! C(o=-1.3!,f=-9.3!) USER MOD Set 2.1: A 84 THR OG1 : rot -98:sc= -4.18! USER MOD Set 2.2: A 99 SER OG : rot 68:sc= -2.67! USER MOD Set 3.1: A 76 GLN : amide:sc= -2.48 K(o=-7.7,f=-12!) USER MOD Set 3.2: A 77 GLN : amide:sc= -5.21! C(o=-7.7!,f=-9.5!) USER MOD Set 4.1: A 26 TYR OH : rot 180:sc= -2.44! USER MOD Set 4.2: A 41 ASN : amide:sc= -5.81! K(o=-8.3!,f=-2.1) USER MOD Set 5.1: A 20 CYS SG : rot 128:sc= -17.7! USER MOD Set 5.2: A 46 SER OG : rot 160:sc= -2.36! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 160:sc= -2.36! USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0263) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -120:sc= 0.743 USER MOD Single : A 82 ASN : amide:sc= -2.39! C(o=-2.4!,f=-9!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 172:sc= -9.68! (180deg=-10.1!) USER MOD Single : A 89 SER OG : rot -52:sc= 0.644 USER MOD Single : A 91 LYS NZ :NH3+ -160:sc= -0.0278 (180deg=-0.552) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.865 K(o=-0.87,f=-5.1!) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.0171 USER MOD Single : A 98 SER OG : rot -55:sc= 0.379 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 34:sc= -0.396! USER MOD Single : A 109 SER OG : rot 41:sc= 1.08 USER MOD Single : A 112 TYR OH : rot 180:sc= -1.18! USER MOD Single : A 116 LYS NZ :NH3+ -148:sc= -0.0692 (180deg=-0.625) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -7.935 -7.196 -0.202 1.00 0.00 N ATOM 160 CA PRO A 12 -6.521 -7.512 -0.301 1.00 0.00 C ATOM 161 C PRO A 12 -5.729 -6.700 0.732 1.00 0.00 C ATOM 162 O PRO A 12 -5.571 -7.107 1.865 1.00 0.00 O ATOM 163 CB PRO A 12 -6.142 -7.100 -1.719 1.00 0.00 C ATOM 164 CG PRO A 12 -7.174 -5.979 -2.070 1.00 0.00 C ATOM 165 CD PRO A 12 -8.451 -6.279 -1.229 1.00 0.00 C ATOM 0 HA PRO A 12 -6.305 -8.563 -0.106 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.118 -6.730 -1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.212 -7.939 -2.411 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.774 -4.994 -1.831 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.402 -5.980 -3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.873 -5.374 -0.792 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.236 -6.739 -1.829 1.00 0.00 H new ATOM 173 N VAL A 13 -5.242 -5.551 0.349 1.00 0.00 N ATOM 174 CA VAL A 13 -4.473 -4.707 1.303 1.00 0.00 C ATOM 175 C VAL A 13 -4.801 -3.237 1.032 1.00 0.00 C ATOM 176 O VAL A 13 -3.950 -2.479 0.610 1.00 0.00 O ATOM 177 CB VAL A 13 -2.974 -4.945 1.112 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.186 -3.869 1.862 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.604 -6.323 1.666 1.00 0.00 C ATOM 0 H VAL A 13 -5.345 -5.160 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.743 -4.965 2.327 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.731 -4.900 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.118 -4.039 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.450 -2.886 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.428 -3.914 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.536 -6.495 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.847 -6.365 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.165 -7.092 1.134 1.00 0.00 H new ATOM 189 N PRO A 14 -6.038 -2.880 1.279 1.00 0.00 N ATOM 190 CA PRO A 14 -6.506 -1.521 1.064 1.00 0.00 C ATOM 191 C PRO A 14 -5.523 -0.519 1.674 1.00 0.00 C ATOM 192 O PRO A 14 -5.077 -0.679 2.792 1.00 0.00 O ATOM 193 CB PRO A 14 -7.852 -1.467 1.778 1.00 0.00 C ATOM 194 CG PRO A 14 -8.337 -2.950 1.750 1.00 0.00 C ATOM 195 CD PRO A 14 -7.047 -3.819 1.795 1.00 0.00 C ATOM 0 HA PRO A 14 -6.591 -1.266 0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.751 -1.097 2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.552 -0.806 1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.984 -3.166 2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.916 -3.155 0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.815 -4.155 2.806 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.132 -4.711 1.174 1.00 0.00 H new ATOM 203 N LEU A 15 -5.185 0.519 0.954 1.00 0.00 N ATOM 204 CA LEU A 15 -4.236 1.520 1.515 1.00 0.00 C ATOM 205 C LEU A 15 -4.886 2.910 1.565 1.00 0.00 C ATOM 206 O LEU A 15 -4.302 3.868 1.117 1.00 0.00 O ATOM 207 CB LEU A 15 -2.975 1.584 0.652 1.00 0.00 C ATOM 208 CG LEU A 15 -2.446 0.170 0.409 1.00 0.00 C ATOM 209 CD1 LEU A 15 -2.412 -0.114 -1.094 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.031 0.055 0.976 1.00 0.00 C ATOM 0 H LEU A 15 -5.522 0.714 0.011 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.973 1.214 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.197 2.068 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.214 2.188 1.147 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.100 -0.551 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.035 -1.122 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.419 -0.029 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.758 0.606 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.651 -0.952 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.381 0.777 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.051 0.258 2.047 1.00 0.00 H new ATOM 222 N PRO A 16 -6.064 2.982 2.130 1.00 0.00 N ATOM 223 CA PRO A 16 -6.772 4.240 2.279 1.00 0.00 C ATOM 224 C PRO A 16 -5.809 5.379 2.654 1.00 0.00 C ATOM 225 O PRO A 16 -5.954 6.494 2.196 1.00 0.00 O ATOM 226 CB PRO A 16 -7.764 3.980 3.404 1.00 0.00 C ATOM 227 CG PRO A 16 -8.008 2.435 3.351 1.00 0.00 C ATOM 228 CD PRO A 16 -6.773 1.804 2.636 1.00 0.00 C ATOM 0 HA PRO A 16 -7.258 4.552 1.354 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.361 4.287 4.369 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.690 4.535 3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.122 2.028 4.356 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.926 2.208 2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.158 1.225 3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.070 1.132 1.831 1.00 0.00 H new ATOM 236 N GLU A 17 -4.832 5.111 3.483 1.00 0.00 N ATOM 237 CA GLU A 17 -3.872 6.188 3.878 1.00 0.00 C ATOM 238 C GLU A 17 -3.478 6.996 2.639 1.00 0.00 C ATOM 239 O GLU A 17 -3.498 8.212 2.641 1.00 0.00 O ATOM 240 CB GLU A 17 -2.622 5.555 4.495 1.00 0.00 C ATOM 241 CG GLU A 17 -2.334 6.211 5.847 1.00 0.00 C ATOM 242 CD GLU A 17 -1.136 7.153 5.712 1.00 0.00 C ATOM 243 OE1 GLU A 17 -0.018 6.675 5.809 1.00 0.00 O ATOM 244 OE2 GLU A 17 -1.356 8.337 5.515 1.00 0.00 O ATOM 0 H GLU A 17 -4.657 4.198 3.902 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.342 6.847 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.769 4.483 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.770 5.682 3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.209 6.765 6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.127 5.448 6.597 1.00 0.00 H new ATOM 251 N LEU A 18 -3.127 6.323 1.581 1.00 0.00 N ATOM 252 CA LEU A 18 -2.736 7.025 0.328 1.00 0.00 C ATOM 253 C LEU A 18 -4.001 7.292 -0.503 1.00 0.00 C ATOM 254 O LEU A 18 -4.754 6.379 -0.779 1.00 0.00 O ATOM 255 CB LEU A 18 -1.798 6.115 -0.467 1.00 0.00 C ATOM 256 CG LEU A 18 -0.574 6.901 -0.926 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.640 6.488 -0.091 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.305 6.592 -2.398 1.00 0.00 C ATOM 0 H LEU A 18 -3.094 5.305 1.530 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.238 7.967 0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.488 5.271 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.322 5.704 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.754 7.969 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.515 7.049 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.447 6.699 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.824 5.421 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.569 7.151 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.121 5.524 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.171 6.880 -2.994 1.00 0.00 H new ATOM 270 N PRO A 19 -4.210 8.535 -0.864 1.00 0.00 N ATOM 271 CA PRO A 19 -5.383 8.925 -1.636 1.00 0.00 C ATOM 272 C PRO A 19 -5.276 8.449 -3.088 1.00 0.00 C ATOM 273 O PRO A 19 -4.231 8.027 -3.543 1.00 0.00 O ATOM 274 CB PRO A 19 -5.390 10.448 -1.573 1.00 0.00 C ATOM 275 CG PRO A 19 -3.890 10.810 -1.346 1.00 0.00 C ATOM 276 CD PRO A 19 -3.292 9.633 -0.523 1.00 0.00 C ATOM 0 HA PRO A 19 -6.297 8.483 -1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.774 10.886 -2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.018 10.813 -0.761 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.368 10.929 -2.295 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.792 11.753 -0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.264 9.412 -0.812 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.285 9.843 0.546 1.00 0.00 H new ATOM 284 N CYS A 20 -6.360 8.516 -3.814 1.00 0.00 N ATOM 285 CA CYS A 20 -6.347 8.073 -5.237 1.00 0.00 C ATOM 286 C CYS A 20 -6.277 9.294 -6.159 1.00 0.00 C ATOM 287 O CYS A 20 -5.214 9.710 -6.575 1.00 0.00 O ATOM 288 CB CYS A 20 -7.630 7.296 -5.536 1.00 0.00 C ATOM 289 SG CYS A 20 -7.235 5.551 -5.792 1.00 0.00 S ATOM 0 H CYS A 20 -7.260 8.861 -3.479 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.478 7.438 -5.407 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.333 7.403 -4.710 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.116 7.703 -6.423 1.00 0.00 H new ATOM 0 HG CYS A 20 -7.993 4.818 -5.032 1.00 0.00 H new ATOM 295 N GLU A 21 -7.406 9.866 -6.486 1.00 0.00 N ATOM 296 CA GLU A 21 -7.409 11.055 -7.385 1.00 0.00 C ATOM 297 C GLU A 21 -7.749 12.306 -6.573 1.00 0.00 C ATOM 298 O GLU A 21 -6.878 13.042 -6.154 1.00 0.00 O ATOM 299 CB GLU A 21 -8.455 10.856 -8.487 1.00 0.00 C ATOM 300 CG GLU A 21 -7.760 10.827 -9.850 1.00 0.00 C ATOM 301 CD GLU A 21 -8.792 11.051 -10.956 1.00 0.00 C ATOM 302 OE1 GLU A 21 -9.695 10.238 -11.069 1.00 0.00 O ATOM 303 OE2 GLU A 21 -8.663 12.032 -11.670 1.00 0.00 O ATOM 0 H GLU A 21 -8.326 9.560 -6.169 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.425 11.175 -7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.998 9.925 -8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.188 11.662 -8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.991 11.598 -9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.259 9.870 -9.994 1.00 0.00 H new ATOM 310 N LYS A 22 -9.010 12.554 -6.346 1.00 0.00 N ATOM 311 CA LYS A 22 -9.406 13.756 -5.561 1.00 0.00 C ATOM 312 C LYS A 22 -10.790 13.531 -4.951 1.00 0.00 C ATOM 313 O LYS A 22 -11.486 14.464 -4.603 1.00 0.00 O ATOM 314 CB LYS A 22 -9.447 14.978 -6.482 1.00 0.00 C ATOM 315 CG LYS A 22 -8.893 16.195 -5.741 1.00 0.00 C ATOM 316 CD LYS A 22 -10.050 17.034 -5.197 1.00 0.00 C ATOM 317 CE LYS A 22 -9.595 18.485 -5.028 1.00 0.00 C ATOM 318 NZ LYS A 22 -9.634 18.853 -3.584 1.00 0.00 N ATOM 0 H LYS A 22 -9.784 11.975 -6.671 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.680 13.926 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.861 14.789 -7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.471 15.170 -6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.248 15.873 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.280 16.795 -6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.900 16.985 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.385 16.633 -4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.585 18.608 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.242 19.149 -5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.325 19.839 -3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.605 18.750 -3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.999 18.226 -3.049 1.00 0.00 H new ATOM 332 N SER A 23 -11.193 12.297 -4.818 1.00 0.00 N ATOM 333 CA SER A 23 -12.531 12.010 -4.230 1.00 0.00 C ATOM 334 C SER A 23 -12.363 11.156 -2.973 1.00 0.00 C ATOM 335 O SER A 23 -11.334 11.180 -2.327 1.00 0.00 O ATOM 336 CB SER A 23 -13.383 11.253 -5.250 1.00 0.00 C ATOM 337 OG SER A 23 -14.640 11.901 -5.386 1.00 0.00 O ATOM 0 H SER A 23 -10.653 11.476 -5.091 1.00 0.00 H new ATOM 0 HA SER A 23 -13.022 12.947 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.873 11.218 -6.213 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.526 10.222 -4.928 1.00 0.00 H new ATOM 0 HG SER A 23 -15.187 11.419 -6.040 1.00 0.00 H new ATOM 343 N ASP A 24 -13.365 10.399 -2.620 1.00 0.00 N ATOM 344 CA ASP A 24 -13.260 9.543 -1.406 1.00 0.00 C ATOM 345 C ASP A 24 -12.618 8.206 -1.779 1.00 0.00 C ATOM 346 O ASP A 24 -12.666 7.251 -1.029 1.00 0.00 O ATOM 347 CB ASP A 24 -14.659 9.295 -0.835 1.00 0.00 C ATOM 348 CG ASP A 24 -15.053 10.460 0.074 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.367 10.676 1.059 1.00 0.00 O ATOM 350 OD2 ASP A 24 -16.034 11.118 -0.231 1.00 0.00 O ATOM 0 H ASP A 24 -14.252 10.336 -3.120 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.646 10.045 -0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.381 9.192 -1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.674 8.361 -0.274 1.00 0.00 H new ATOM 355 N ALA A 25 -12.016 8.129 -2.934 1.00 0.00 N ATOM 356 CA ALA A 25 -11.371 6.854 -3.355 1.00 0.00 C ATOM 357 C ALA A 25 -10.025 6.704 -2.646 1.00 0.00 C ATOM 358 O ALA A 25 -9.549 7.614 -1.996 1.00 0.00 O ATOM 359 CB ALA A 25 -11.151 6.869 -4.869 1.00 0.00 C ATOM 0 H ALA A 25 -11.943 8.894 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.016 6.016 -3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.679 5.936 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.111 6.975 -5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.506 7.707 -5.135 1.00 0.00 H new ATOM 365 N TYR A 26 -9.405 5.562 -2.767 1.00 0.00 N ATOM 366 CA TYR A 26 -8.089 5.355 -2.100 1.00 0.00 C ATOM 367 C TYR A 26 -7.245 4.389 -2.932 1.00 0.00 C ATOM 368 O TYR A 26 -7.635 3.974 -4.001 1.00 0.00 O ATOM 369 CB TYR A 26 -8.303 4.772 -0.704 1.00 0.00 C ATOM 370 CG TYR A 26 -9.549 3.919 -0.685 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.812 4.523 -0.709 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.442 2.525 -0.637 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.966 3.732 -0.686 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.596 1.733 -0.613 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.859 2.337 -0.638 1.00 0.00 C ATOM 376 OH TYR A 26 -12.998 1.557 -0.615 1.00 0.00 O ATOM 0 H TYR A 26 -9.753 4.764 -3.299 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.573 6.312 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.439 4.174 -0.414 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.393 5.577 0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.895 5.599 -0.745 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.468 2.059 -0.618 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.940 4.198 -0.705 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.512 0.657 -0.575 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.746 0.611 -0.583 1.00 0.00 H new ATOM 386 N PHE A 27 -6.084 4.033 -2.454 1.00 0.00 N ATOM 387 CA PHE A 27 -5.221 3.101 -3.235 1.00 0.00 C ATOM 388 C PHE A 27 -5.243 1.700 -2.619 1.00 0.00 C ATOM 389 O PHE A 27 -4.391 1.345 -1.832 1.00 0.00 O ATOM 390 CB PHE A 27 -3.785 3.626 -3.246 1.00 0.00 C ATOM 391 CG PHE A 27 -3.475 4.187 -4.610 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.837 3.472 -5.756 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.830 5.423 -4.728 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.554 3.992 -7.024 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.548 5.944 -5.996 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.909 5.227 -7.143 1.00 0.00 C ATOM 0 H PHE A 27 -5.697 4.344 -1.563 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.605 3.042 -4.254 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.661 4.397 -2.485 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.089 2.823 -3.003 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.335 2.518 -5.662 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.550 5.974 -3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.833 3.440 -7.909 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.052 6.899 -6.090 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.689 5.628 -8.121 1.00 0.00 H new ATOM 406 N VAL A 28 -6.200 0.895 -2.982 1.00 0.00 N ATOM 407 CA VAL A 28 -6.259 -0.485 -2.430 1.00 0.00 C ATOM 408 C VAL A 28 -5.301 -1.380 -3.223 1.00 0.00 C ATOM 409 O VAL A 28 -5.313 -1.396 -4.437 1.00 0.00 O ATOM 410 CB VAL A 28 -7.690 -1.022 -2.541 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.693 -2.542 -2.370 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.552 -0.390 -1.447 1.00 0.00 C ATOM 0 H VAL A 28 -6.944 1.133 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.965 -0.478 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.092 -0.771 -3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.714 -2.915 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.078 -2.997 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.289 -2.799 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.571 -0.769 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.142 -0.643 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.558 0.693 -1.569 1.00 0.00 H new ATOM 422 N LEU A 29 -4.464 -2.117 -2.544 1.00 0.00 N ATOM 423 CA LEU A 29 -3.498 -3.000 -3.258 1.00 0.00 C ATOM 424 C LEU A 29 -4.210 -4.256 -3.765 1.00 0.00 C ATOM 425 O LEU A 29 -5.059 -4.817 -3.100 1.00 0.00 O ATOM 426 CB LEU A 29 -2.372 -3.400 -2.300 1.00 0.00 C ATOM 427 CG LEU A 29 -1.566 -4.554 -2.902 1.00 0.00 C ATOM 428 CD1 LEU A 29 -0.087 -4.169 -2.964 1.00 0.00 C ATOM 429 CD2 LEU A 29 -1.731 -5.800 -2.030 1.00 0.00 C ATOM 0 H LEU A 29 -4.407 -2.146 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.082 -2.461 -4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.720 -2.547 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.789 -3.698 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.929 -4.762 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.485 -4.992 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.032 -3.281 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.277 -3.959 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.157 -6.622 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.369 -5.590 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.784 -6.077 -1.986 1.00 0.00 H new ATOM 441 N ARG A 30 -3.858 -4.704 -4.940 1.00 0.00 N ATOM 442 CA ARG A 30 -4.493 -5.927 -5.502 1.00 0.00 C ATOM 443 C ARG A 30 -3.426 -6.755 -6.220 1.00 0.00 C ATOM 444 O ARG A 30 -2.244 -6.496 -6.101 1.00 0.00 O ATOM 445 CB ARG A 30 -5.586 -5.527 -6.496 1.00 0.00 C ATOM 446 CG ARG A 30 -6.959 -5.745 -5.858 1.00 0.00 C ATOM 447 CD ARG A 30 -7.680 -4.402 -5.731 1.00 0.00 C ATOM 448 NE ARG A 30 -9.143 -4.602 -5.929 1.00 0.00 N ATOM 449 CZ ARG A 30 -9.611 -4.863 -7.119 1.00 0.00 C ATOM 450 NH1 ARG A 30 -9.533 -3.965 -8.062 1.00 0.00 N ATOM 451 NH2 ARG A 30 -10.156 -6.022 -7.366 1.00 0.00 N ATOM 0 H ARG A 30 -3.153 -4.271 -5.537 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.938 -6.514 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.468 -4.482 -6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.498 -6.119 -7.407 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.549 -6.431 -6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.847 -6.204 -4.876 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.491 -3.967 -4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.295 -3.699 -6.470 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.779 -4.535 -5.134 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.106 -3.059 -7.869 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.899 -4.169 -8.992 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.217 -6.725 -6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.522 -6.226 -8.296 1.00 0.00 H new ATOM 465 N ASP A 31 -3.828 -7.747 -6.965 1.00 0.00 N ATOM 466 CA ASP A 31 -2.829 -8.582 -7.688 1.00 0.00 C ATOM 467 C ASP A 31 -3.251 -8.734 -9.150 1.00 0.00 C ATOM 468 O ASP A 31 -4.110 -9.527 -9.481 1.00 0.00 O ATOM 469 CB ASP A 31 -2.747 -9.963 -7.031 1.00 0.00 C ATOM 470 CG ASP A 31 -4.087 -10.684 -7.187 1.00 0.00 C ATOM 471 OD1 ASP A 31 -5.068 -10.189 -6.657 1.00 0.00 O ATOM 472 OD2 ASP A 31 -4.109 -11.719 -7.832 1.00 0.00 O ATOM 0 H ASP A 31 -4.802 -8.015 -7.104 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.852 -8.100 -7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.951 -10.549 -7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.498 -9.861 -5.975 1.00 0.00 H new ATOM 477 N GLY A 32 -2.652 -7.978 -10.030 1.00 0.00 N ATOM 478 CA GLY A 32 -3.017 -8.078 -11.470 1.00 0.00 C ATOM 479 C GLY A 32 -1.864 -7.552 -12.327 1.00 0.00 C ATOM 480 O GLY A 32 -0.873 -7.066 -11.819 1.00 0.00 O ATOM 0 H GLY A 32 -1.926 -7.296 -9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.234 -9.114 -11.730 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.922 -7.504 -11.667 1.00 0.00 H new ATOM 484 N ALA A 33 -1.984 -7.644 -13.623 1.00 0.00 N ATOM 485 CA ALA A 33 -0.894 -7.147 -14.508 1.00 0.00 C ATOM 486 C ALA A 33 0.338 -8.041 -14.349 1.00 0.00 C ATOM 487 O ALA A 33 1.437 -7.670 -14.711 1.00 0.00 O ATOM 488 CB ALA A 33 -0.536 -5.711 -14.119 1.00 0.00 C ATOM 0 H ALA A 33 -2.789 -8.042 -14.107 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.228 -7.169 -15.545 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.262 -5.347 -14.766 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.414 -5.074 -14.231 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.201 -5.688 -13.082 1.00 0.00 H new ATOM 494 N ALA A 34 0.163 -9.216 -13.810 1.00 0.00 N ATOM 495 CA ALA A 34 1.324 -10.133 -13.628 1.00 0.00 C ATOM 496 C ALA A 34 2.163 -9.666 -12.437 1.00 0.00 C ATOM 497 O ALA A 34 3.275 -10.112 -12.235 1.00 0.00 O ATOM 498 CB ALA A 34 2.185 -10.124 -14.893 1.00 0.00 C ATOM 0 H ALA A 34 -0.733 -9.581 -13.488 1.00 0.00 H new ATOM 0 HA ALA A 34 0.961 -11.144 -13.442 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.034 -10.794 -14.760 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.588 -10.458 -15.742 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.547 -9.113 -15.080 1.00 0.00 H new ATOM 504 N GLY A 35 1.641 -8.768 -11.647 1.00 0.00 N ATOM 505 CA GLY A 35 2.410 -8.274 -10.470 1.00 0.00 C ATOM 506 C GLY A 35 1.484 -7.482 -9.547 1.00 0.00 C ATOM 507 O GLY A 35 0.562 -6.826 -9.990 1.00 0.00 O ATOM 0 H GLY A 35 0.716 -8.355 -11.766 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.847 -9.114 -9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.236 -7.644 -10.801 1.00 0.00 H new ATOM 511 N VAL A 36 1.720 -7.537 -8.263 1.00 0.00 N ATOM 512 CA VAL A 36 0.854 -6.787 -7.311 1.00 0.00 C ATOM 513 C VAL A 36 0.966 -5.288 -7.596 1.00 0.00 C ATOM 514 O VAL A 36 1.845 -4.843 -8.308 1.00 0.00 O ATOM 515 CB VAL A 36 1.308 -7.075 -5.877 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.830 -6.972 -5.794 1.00 0.00 C ATOM 517 CG2 VAL A 36 0.677 -6.056 -4.923 1.00 0.00 C ATOM 0 H VAL A 36 2.476 -8.070 -7.833 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.183 -7.101 -7.432 1.00 0.00 H new ATOM 0 HB VAL A 36 0.994 -8.080 -5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.153 -7.177 -4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.281 -7.698 -6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.143 -5.967 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.001 -6.263 -3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.989 -5.051 -5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.409 -6.128 -4.980 1.00 0.00 H new ATOM 527 N PHE A 37 0.080 -4.503 -7.044 1.00 0.00 N ATOM 528 CA PHE A 37 0.134 -3.033 -7.283 1.00 0.00 C ATOM 529 C PHE A 37 -0.925 -2.341 -6.424 1.00 0.00 C ATOM 530 O PHE A 37 -1.524 -2.943 -5.556 1.00 0.00 O ATOM 531 CB PHE A 37 -0.144 -2.748 -8.760 1.00 0.00 C ATOM 532 CG PHE A 37 -1.592 -3.048 -9.066 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.091 -4.342 -8.881 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.434 -2.032 -9.531 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.435 -4.621 -9.163 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.776 -2.310 -9.813 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.276 -3.604 -9.629 1.00 0.00 C ATOM 0 H PHE A 37 -0.678 -4.817 -6.438 1.00 0.00 H new ATOM 0 HA PHE A 37 1.122 -2.656 -7.019 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.079 -1.706 -8.989 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.506 -3.358 -9.388 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.441 -5.125 -8.521 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.048 -1.033 -9.672 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.821 -5.619 -9.021 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.426 -1.526 -10.173 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.312 -3.818 -9.847 1.00 0.00 H new ATOM 547 N LEU A 38 -1.160 -1.080 -6.659 1.00 0.00 N ATOM 548 CA LEU A 38 -2.184 -0.354 -5.854 1.00 0.00 C ATOM 549 C LEU A 38 -3.162 0.351 -6.795 1.00 0.00 C ATOM 550 O LEU A 38 -2.909 1.444 -7.259 1.00 0.00 O ATOM 551 CB LEU A 38 -1.507 0.691 -4.959 1.00 0.00 C ATOM 552 CG LEU A 38 -0.077 0.258 -4.627 1.00 0.00 C ATOM 553 CD1 LEU A 38 0.909 1.100 -5.439 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.183 0.471 -3.134 1.00 0.00 C ATOM 0 H LEU A 38 -0.689 -0.522 -7.371 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.718 -1.070 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.494 1.658 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.079 0.818 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 38 0.053 -0.796 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.928 0.794 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.722 0.954 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.780 2.153 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.201 0.163 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.055 1.525 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.522 -0.124 -2.553 1.00 0.00 H new ATOM 566 N ALA A 39 -4.281 -0.260 -7.078 1.00 0.00 N ATOM 567 CA ALA A 39 -5.265 0.392 -7.986 1.00 0.00 C ATOM 568 C ALA A 39 -6.226 1.244 -7.162 1.00 0.00 C ATOM 569 O ALA A 39 -6.398 1.046 -5.971 1.00 0.00 O ATOM 570 CB ALA A 39 -6.068 -0.663 -8.749 1.00 0.00 C ATOM 0 H ALA A 39 -4.554 -1.176 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.724 1.015 -8.698 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.783 -0.170 -9.408 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.391 -1.277 -9.343 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.604 -1.295 -8.041 1.00 0.00 H new ATOM 576 N ALA A 40 -6.862 2.188 -7.792 1.00 0.00 N ATOM 577 CA ALA A 40 -7.822 3.049 -7.062 1.00 0.00 C ATOM 578 C ALA A 40 -9.080 2.232 -6.761 1.00 0.00 C ATOM 579 O ALA A 40 -9.578 1.514 -7.604 1.00 0.00 O ATOM 580 CB ALA A 40 -8.172 4.258 -7.930 1.00 0.00 C ATOM 0 H ALA A 40 -6.756 2.399 -8.784 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.385 3.400 -6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.878 4.896 -7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.266 4.823 -8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.621 3.918 -8.863 1.00 0.00 H new ATOM 586 N ASN A 41 -9.588 2.324 -5.564 1.00 0.00 N ATOM 587 CA ASN A 41 -10.806 1.540 -5.211 1.00 0.00 C ATOM 588 C ASN A 41 -12.013 2.094 -5.973 1.00 0.00 C ATOM 589 O ASN A 41 -13.066 1.490 -6.009 1.00 0.00 O ATOM 590 CB ASN A 41 -11.058 1.635 -3.704 1.00 0.00 C ATOM 591 CG ASN A 41 -12.466 1.130 -3.383 1.00 0.00 C ATOM 592 OD1 ASN A 41 -12.740 -0.049 -3.496 1.00 0.00 O ATOM 593 ND2 ASN A 41 -13.375 1.976 -2.984 1.00 0.00 N ATOM 0 H ASN A 41 -9.214 2.907 -4.815 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.657 0.496 -5.486 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.318 1.045 -3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.947 2.667 -3.371 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.316 1.648 -2.767 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.145 2.965 -2.889 1.00 0.00 H new ATOM 600 N THR A 42 -11.867 3.236 -6.585 1.00 0.00 N ATOM 601 CA THR A 42 -13.007 3.821 -7.345 1.00 0.00 C ATOM 602 C THR A 42 -12.880 3.443 -8.825 1.00 0.00 C ATOM 603 O THR A 42 -13.657 3.876 -9.652 1.00 0.00 O ATOM 604 CB THR A 42 -12.990 5.345 -7.199 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.650 5.811 -7.270 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.597 5.735 -5.851 1.00 0.00 C ATOM 0 H THR A 42 -11.010 3.789 -6.592 1.00 0.00 H new ATOM 0 HA THR A 42 -13.946 3.432 -6.951 1.00 0.00 H new ATOM 0 HB THR A 42 -13.574 5.795 -8.002 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.647 6.764 -7.498 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.585 6.820 -5.747 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.625 5.377 -5.798 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.014 5.287 -5.046 1.00 0.00 H new ATOM 614 N PHE A 43 -11.907 2.633 -9.159 1.00 0.00 N ATOM 615 CA PHE A 43 -11.716 2.213 -10.580 1.00 0.00 C ATOM 616 C PHE A 43 -13.084 1.995 -11.240 1.00 0.00 C ATOM 617 O PHE A 43 -14.000 1.511 -10.605 1.00 0.00 O ATOM 618 CB PHE A 43 -10.926 0.903 -10.612 1.00 0.00 C ATOM 619 CG PHE A 43 -10.963 0.322 -12.006 1.00 0.00 C ATOM 620 CD1 PHE A 43 -12.104 -0.356 -12.452 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.857 0.464 -12.853 1.00 0.00 C ATOM 622 CE1 PHE A 43 -12.139 -0.894 -13.744 1.00 0.00 C ATOM 623 CE2 PHE A 43 -9.892 -0.073 -14.145 1.00 0.00 C ATOM 624 CZ PHE A 43 -11.032 -0.752 -14.591 1.00 0.00 C ATOM 0 H PHE A 43 -11.232 2.242 -8.502 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.172 2.988 -11.120 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.894 1.081 -10.309 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.349 0.194 -9.900 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.957 -0.464 -11.799 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.977 0.988 -12.509 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -13.019 -1.418 -14.088 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.039 0.037 -14.798 1.00 0.00 H new ATOM 0 HZ PHE A 43 -11.058 -1.166 -15.588 1.00 0.00 H new ATOM 634 N PRO A 44 -13.182 2.343 -12.501 1.00 0.00 N ATOM 635 CA PRO A 44 -12.079 2.921 -13.256 1.00 0.00 C ATOM 636 C PRO A 44 -11.961 4.427 -12.978 1.00 0.00 C ATOM 637 O PRO A 44 -11.121 5.100 -13.542 1.00 0.00 O ATOM 638 CB PRO A 44 -12.466 2.693 -14.709 1.00 0.00 C ATOM 639 CG PRO A 44 -14.029 2.670 -14.673 1.00 0.00 C ATOM 640 CD PRO A 44 -14.426 2.151 -13.260 1.00 0.00 C ATOM 0 HA PRO A 44 -11.119 2.476 -12.993 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.091 3.488 -15.353 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.060 1.756 -15.090 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.437 3.665 -14.850 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.426 2.019 -15.452 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.254 2.718 -12.835 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.733 1.105 -13.281 1.00 0.00 H new ATOM 648 N LYS A 45 -12.799 4.961 -12.125 1.00 0.00 N ATOM 649 CA LYS A 45 -12.736 6.422 -11.821 1.00 0.00 C ATOM 650 C LYS A 45 -11.273 6.858 -11.715 1.00 0.00 C ATOM 651 O LYS A 45 -10.922 7.975 -12.041 1.00 0.00 O ATOM 652 CB LYS A 45 -13.461 6.693 -10.498 1.00 0.00 C ATOM 653 CG LYS A 45 -12.989 8.021 -9.903 1.00 0.00 C ATOM 654 CD LYS A 45 -13.768 8.315 -8.619 1.00 0.00 C ATOM 655 CE LYS A 45 -14.657 9.542 -8.830 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.755 9.204 -9.779 1.00 0.00 N ATOM 0 H LYS A 45 -13.525 4.447 -11.626 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.218 6.987 -12.619 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.538 6.722 -10.664 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.268 5.882 -9.796 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.921 7.976 -9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.137 8.826 -10.622 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.378 7.454 -8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.077 8.491 -7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.073 9.870 -7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.066 10.370 -9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.416 10.004 -9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.354 9.009 -10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.262 8.363 -9.438 1.00 0.00 H new ATOM 670 N SER A 46 -10.420 5.986 -11.263 1.00 0.00 N ATOM 671 CA SER A 46 -8.985 6.350 -11.139 1.00 0.00 C ATOM 672 C SER A 46 -8.126 5.186 -11.633 1.00 0.00 C ATOM 673 O SER A 46 -7.932 4.207 -10.941 1.00 0.00 O ATOM 674 CB SER A 46 -8.660 6.648 -9.674 1.00 0.00 C ATOM 675 OG SER A 46 -7.277 6.416 -9.440 1.00 0.00 O ATOM 0 H SER A 46 -10.655 5.036 -10.974 1.00 0.00 H new ATOM 0 HA SER A 46 -8.776 7.235 -11.740 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.912 7.682 -9.437 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.262 6.016 -9.021 1.00 0.00 H new ATOM 0 HG SER A 46 -6.998 6.893 -8.631 1.00 0.00 H new ATOM 681 N ARG A 47 -7.607 5.286 -12.825 1.00 0.00 N ATOM 682 CA ARG A 47 -6.761 4.185 -13.358 1.00 0.00 C ATOM 683 C ARG A 47 -5.308 4.440 -12.961 1.00 0.00 C ATOM 684 O ARG A 47 -4.396 4.243 -13.739 1.00 0.00 O ATOM 685 CB ARG A 47 -6.874 4.145 -14.884 1.00 0.00 C ATOM 686 CG ARG A 47 -7.832 3.025 -15.296 1.00 0.00 C ATOM 687 CD ARG A 47 -8.383 3.313 -16.693 1.00 0.00 C ATOM 688 NE ARG A 47 -8.721 2.028 -17.368 1.00 0.00 N ATOM 689 CZ ARG A 47 -8.878 1.993 -18.663 1.00 0.00 C ATOM 690 NH1 ARG A 47 -9.839 2.675 -19.223 1.00 0.00 N ATOM 691 NH2 ARG A 47 -8.074 1.276 -19.398 1.00 0.00 N ATOM 0 H ARG A 47 -7.732 6.081 -13.451 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.095 3.232 -12.948 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.236 5.103 -15.258 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.892 3.980 -15.328 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.313 2.067 -15.289 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.650 2.950 -14.579 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.269 3.944 -16.623 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.647 3.862 -17.280 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.830 1.176 -16.818 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.468 3.236 -18.649 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.961 2.647 -20.235 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.323 0.743 -18.961 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.197 1.249 -20.410 1.00 0.00 H new ATOM 705 N GLU A 48 -5.089 4.880 -11.752 1.00 0.00 N ATOM 706 CA GLU A 48 -3.698 5.150 -11.299 1.00 0.00 C ATOM 707 C GLU A 48 -3.079 3.860 -10.759 1.00 0.00 C ATOM 708 O GLU A 48 -2.659 3.790 -9.620 1.00 0.00 O ATOM 709 CB GLU A 48 -3.718 6.213 -10.199 1.00 0.00 C ATOM 710 CG GLU A 48 -4.250 7.530 -10.769 1.00 0.00 C ATOM 711 CD GLU A 48 -3.877 8.679 -9.832 1.00 0.00 C ATOM 712 OE1 GLU A 48 -4.380 8.700 -8.721 1.00 0.00 O ATOM 713 OE2 GLU A 48 -3.095 9.522 -10.243 1.00 0.00 O ATOM 0 H GLU A 48 -5.815 5.064 -11.059 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.104 5.511 -12.138 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.346 5.883 -9.371 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.714 6.357 -9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.832 7.705 -11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.333 7.478 -10.884 1.00 0.00 H new ATOM 720 N THR A 49 -3.023 2.836 -11.567 1.00 0.00 N ATOM 721 CA THR A 49 -2.435 1.549 -11.103 1.00 0.00 C ATOM 722 C THR A 49 -0.950 1.504 -11.469 1.00 0.00 C ATOM 723 O THR A 49 -0.551 1.915 -12.541 1.00 0.00 O ATOM 724 CB THR A 49 -3.163 0.386 -11.782 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.575 0.137 -13.051 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.640 0.741 -11.961 1.00 0.00 C ATOM 0 H THR A 49 -3.360 2.836 -12.530 1.00 0.00 H new ATOM 0 HA THR A 49 -2.544 1.467 -10.022 1.00 0.00 H new ATOM 0 HB THR A 49 -3.080 -0.507 -11.162 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.039 -0.608 -13.486 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.157 -0.088 -12.445 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.089 0.930 -10.986 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.727 1.634 -12.580 1.00 0.00 H new ATOM 734 N ARG A 50 -0.128 1.004 -10.587 1.00 0.00 N ATOM 735 CA ARG A 50 1.331 0.929 -10.881 1.00 0.00 C ATOM 736 C ARG A 50 2.091 0.614 -9.592 1.00 0.00 C ATOM 737 O ARG A 50 1.660 0.957 -8.507 1.00 0.00 O ATOM 738 CB ARG A 50 1.811 2.270 -11.441 1.00 0.00 C ATOM 739 CG ARG A 50 1.202 3.412 -10.625 1.00 0.00 C ATOM 740 CD ARG A 50 2.252 4.505 -10.416 1.00 0.00 C ATOM 741 NE ARG A 50 1.813 5.413 -9.320 1.00 0.00 N ATOM 742 CZ ARG A 50 2.448 6.532 -9.106 1.00 0.00 C ATOM 743 NH1 ARG A 50 3.562 6.531 -8.427 1.00 0.00 N ATOM 744 NH2 ARG A 50 1.970 7.653 -9.573 1.00 0.00 N ATOM 0 H ARG A 50 -0.405 0.644 -9.674 1.00 0.00 H new ATOM 0 HA ARG A 50 1.514 0.144 -11.615 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.899 2.323 -11.404 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.522 2.363 -12.488 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.334 3.821 -11.143 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.853 3.039 -9.662 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.214 4.057 -10.168 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.392 5.071 -11.337 1.00 0.00 H new ATOM 0 HE ARG A 50 1.016 5.160 -8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.937 5.655 -8.063 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.058 7.406 -8.260 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.100 7.654 -10.105 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.467 8.528 -9.406 1.00 0.00 H new ATOM 758 N ALA A 51 3.216 -0.037 -9.696 1.00 0.00 N ATOM 759 CA ALA A 51 3.997 -0.371 -8.472 1.00 0.00 C ATOM 760 C ALA A 51 4.150 0.885 -7.608 1.00 0.00 C ATOM 761 O ALA A 51 4.245 1.981 -8.124 1.00 0.00 O ATOM 762 CB ALA A 51 5.378 -0.885 -8.870 1.00 0.00 C ATOM 0 H ALA A 51 3.628 -0.352 -10.574 1.00 0.00 H new ATOM 0 HA ALA A 51 3.473 -1.142 -7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.948 -1.129 -7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.270 -1.778 -9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.903 -0.116 -9.436 1.00 0.00 H new ATOM 768 N PRO A 52 4.155 0.689 -6.313 1.00 0.00 N ATOM 769 CA PRO A 52 4.277 1.786 -5.367 1.00 0.00 C ATOM 770 C PRO A 52 5.741 2.223 -5.203 1.00 0.00 C ATOM 771 O PRO A 52 6.648 1.412 -5.204 1.00 0.00 O ATOM 772 CB PRO A 52 3.763 1.206 -4.057 1.00 0.00 C ATOM 773 CG PRO A 52 4.064 -0.323 -4.187 1.00 0.00 C ATOM 774 CD PRO A 52 4.029 -0.647 -5.710 1.00 0.00 C ATOM 0 HA PRO A 52 3.727 2.668 -5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.272 1.643 -3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.698 1.395 -3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.037 -0.565 -3.760 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.323 -0.913 -3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.846 -1.306 -6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.101 -1.139 -6.001 1.00 0.00 H new ATOM 782 N LEU A 53 5.967 3.499 -5.036 1.00 0.00 N ATOM 783 CA LEU A 53 7.353 4.001 -4.835 1.00 0.00 C ATOM 784 C LEU A 53 7.958 3.296 -3.618 1.00 0.00 C ATOM 785 O LEU A 53 7.347 3.225 -2.572 1.00 0.00 O ATOM 786 CB LEU A 53 7.309 5.505 -4.575 1.00 0.00 C ATOM 787 CG LEU A 53 8.308 6.218 -5.489 1.00 0.00 C ATOM 788 CD1 LEU A 53 9.621 5.439 -5.545 1.00 0.00 C ATOM 789 CD2 LEU A 53 7.728 6.331 -6.899 1.00 0.00 C ATOM 0 H LEU A 53 5.244 4.218 -5.031 1.00 0.00 H new ATOM 0 HA LEU A 53 7.956 3.801 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.303 5.885 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.546 5.710 -3.531 1.00 0.00 H new ATOM 0 HG LEU A 53 8.499 7.214 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.323 5.956 -6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.044 5.366 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.434 4.438 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.442 6.839 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.528 5.334 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.799 6.901 -6.866 1.00 0.00 H new ATOM 801 N VAL A 54 9.145 2.768 -3.738 1.00 0.00 N ATOM 802 CA VAL A 54 9.770 2.067 -2.585 1.00 0.00 C ATOM 803 C VAL A 54 9.765 2.985 -1.360 1.00 0.00 C ATOM 804 O VAL A 54 9.587 2.542 -0.243 1.00 0.00 O ATOM 805 CB VAL A 54 11.209 1.692 -2.945 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.740 0.674 -1.938 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.240 1.077 -4.346 1.00 0.00 C ATOM 0 H VAL A 54 9.709 2.793 -4.588 1.00 0.00 H new ATOM 0 HA VAL A 54 9.205 1.164 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 54 11.831 2.587 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.765 0.408 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.718 1.106 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.116 -0.220 -1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.265 0.810 -4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.616 0.183 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.861 1.799 -5.069 1.00 0.00 H new ATOM 817 N GLU A 55 9.960 4.261 -1.558 1.00 0.00 N ATOM 818 CA GLU A 55 9.964 5.198 -0.398 1.00 0.00 C ATOM 819 C GLU A 55 8.573 5.228 0.240 1.00 0.00 C ATOM 820 O GLU A 55 8.436 5.207 1.447 1.00 0.00 O ATOM 821 CB GLU A 55 10.349 6.606 -0.863 1.00 0.00 C ATOM 822 CG GLU A 55 9.718 6.893 -2.228 1.00 0.00 C ATOM 823 CD GLU A 55 8.974 8.229 -2.175 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.500 9.154 -1.578 1.00 0.00 O ATOM 825 OE2 GLU A 55 7.892 8.305 -2.733 1.00 0.00 O ATOM 0 H GLU A 55 10.116 4.694 -2.468 1.00 0.00 H new ATOM 0 HA GLU A 55 10.693 4.855 0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.013 7.344 -0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.434 6.693 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.489 6.924 -2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.030 6.092 -2.498 1.00 0.00 H new ATOM 832 N GLU A 56 7.537 5.269 -0.555 1.00 0.00 N ATOM 833 CA GLU A 56 6.166 5.289 0.025 1.00 0.00 C ATOM 834 C GLU A 56 5.886 3.929 0.661 1.00 0.00 C ATOM 835 O GLU A 56 5.082 3.803 1.564 1.00 0.00 O ATOM 836 CB GLU A 56 5.138 5.570 -1.077 1.00 0.00 C ATOM 837 CG GLU A 56 5.121 4.413 -2.079 1.00 0.00 C ATOM 838 CD GLU A 56 3.708 4.246 -2.639 1.00 0.00 C ATOM 839 OE1 GLU A 56 2.771 4.609 -1.948 1.00 0.00 O ATOM 840 OE2 GLU A 56 3.586 3.756 -3.750 1.00 0.00 O ATOM 0 H GLU A 56 7.581 5.289 -1.574 1.00 0.00 H new ATOM 0 HA GLU A 56 6.093 6.073 0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.148 5.698 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.384 6.501 -1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.824 4.608 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.443 3.492 -1.593 1.00 0.00 H new ATOM 847 N LEU A 57 6.560 2.911 0.201 1.00 0.00 N ATOM 848 CA LEU A 57 6.355 1.554 0.775 1.00 0.00 C ATOM 849 C LEU A 57 7.009 1.497 2.155 1.00 0.00 C ATOM 850 O LEU A 57 6.504 0.875 3.068 1.00 0.00 O ATOM 851 CB LEU A 57 7.002 0.513 -0.143 1.00 0.00 C ATOM 852 CG LEU A 57 6.025 -0.640 -0.377 1.00 0.00 C ATOM 853 CD1 LEU A 57 6.416 -1.391 -1.651 1.00 0.00 C ATOM 854 CD2 LEU A 57 6.078 -1.599 0.813 1.00 0.00 C ATOM 0 H LEU A 57 7.247 2.963 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 57 5.289 1.344 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.275 0.971 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.922 0.139 0.306 1.00 0.00 H new ATOM 0 HG LEU A 57 5.015 -0.244 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.719 -2.213 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.382 -0.709 -2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.426 -1.787 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.382 -2.422 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.089 -1.994 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.801 -1.066 1.722 1.00 0.00 H new ATOM 866 N TYR A 58 8.128 2.151 2.317 1.00 0.00 N ATOM 867 CA TYR A 58 8.810 2.142 3.641 1.00 0.00 C ATOM 868 C TYR A 58 7.924 2.855 4.662 1.00 0.00 C ATOM 869 O TYR A 58 7.722 2.382 5.764 1.00 0.00 O ATOM 870 CB TYR A 58 10.152 2.870 3.531 1.00 0.00 C ATOM 871 CG TYR A 58 10.800 2.942 4.892 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.772 1.828 5.741 1.00 0.00 C ATOM 873 CD2 TYR A 58 11.430 4.121 5.307 1.00 0.00 C ATOM 874 CE1 TYR A 58 11.374 1.894 7.002 1.00 0.00 C ATOM 875 CE2 TYR A 58 12.031 4.188 6.569 1.00 0.00 C ATOM 876 CZ TYR A 58 12.004 3.074 7.418 1.00 0.00 C ATOM 877 OH TYR A 58 12.598 3.139 8.662 1.00 0.00 O ATOM 0 H TYR A 58 8.598 2.690 1.590 1.00 0.00 H new ATOM 0 HA TYR A 58 8.984 1.114 3.958 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.805 2.347 2.833 1.00 0.00 H new ATOM 0 HB3 TYR A 58 10.001 3.874 3.135 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.286 0.918 5.422 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.452 4.980 4.653 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.353 1.034 7.655 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.516 5.099 6.888 1.00 0.00 H new ATOM 0 HH TYR A 58 12.990 4.028 8.791 1.00 0.00 H new ATOM 887 N ARG A 59 7.385 3.989 4.303 1.00 0.00 N ATOM 888 CA ARG A 59 6.506 4.729 5.249 1.00 0.00 C ATOM 889 C ARG A 59 5.253 3.895 5.525 1.00 0.00 C ATOM 890 O ARG A 59 4.664 3.971 6.584 1.00 0.00 O ATOM 891 CB ARG A 59 6.101 6.068 4.629 1.00 0.00 C ATOM 892 CG ARG A 59 5.048 6.742 5.511 1.00 0.00 C ATOM 893 CD ARG A 59 3.852 7.153 4.652 1.00 0.00 C ATOM 894 NE ARG A 59 2.612 7.125 5.477 1.00 0.00 N ATOM 895 CZ ARG A 59 2.119 8.235 5.953 1.00 0.00 C ATOM 896 NH1 ARG A 59 1.570 9.102 5.147 1.00 0.00 N ATOM 897 NH2 ARG A 59 2.177 8.478 7.234 1.00 0.00 N ATOM 0 H ARG A 59 7.516 4.434 3.395 1.00 0.00 H new ATOM 0 HA ARG A 59 7.040 4.910 6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.974 6.713 4.529 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.704 5.911 3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.727 6.060 6.298 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.475 7.617 6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.009 8.153 4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.752 6.477 3.803 1.00 0.00 H new ATOM 0 HE ARG A 59 2.148 6.237 5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.527 8.911 4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.184 9.970 5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.608 7.800 7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.792 9.346 7.606 1.00 0.00 H new ATOM 911 N PHE A 60 4.845 3.097 4.575 1.00 0.00 N ATOM 912 CA PHE A 60 3.634 2.254 4.778 1.00 0.00 C ATOM 913 C PHE A 60 4.056 0.883 5.307 1.00 0.00 C ATOM 914 O PHE A 60 3.339 -0.090 5.183 1.00 0.00 O ATOM 915 CB PHE A 60 2.900 2.084 3.447 1.00 0.00 C ATOM 916 CG PHE A 60 1.990 3.267 3.219 1.00 0.00 C ATOM 917 CD1 PHE A 60 2.529 4.555 3.125 1.00 0.00 C ATOM 918 CD2 PHE A 60 0.608 3.075 3.103 1.00 0.00 C ATOM 919 CE1 PHE A 60 1.687 5.653 2.915 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.234 4.173 2.893 1.00 0.00 C ATOM 921 CZ PHE A 60 0.305 5.461 2.799 1.00 0.00 C ATOM 0 H PHE A 60 5.299 2.993 3.667 1.00 0.00 H new ATOM 0 HA PHE A 60 2.971 2.735 5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.618 2.002 2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.320 1.161 3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.595 4.702 3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.192 2.081 3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.103 6.647 2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.300 4.026 2.803 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.346 6.308 2.637 1.00 0.00 H new ATOM 931 N ARG A 61 5.218 0.798 5.895 1.00 0.00 N ATOM 932 CA ARG A 61 5.688 -0.509 6.432 1.00 0.00 C ATOM 933 C ARG A 61 4.773 -0.945 7.579 1.00 0.00 C ATOM 934 O ARG A 61 4.513 -2.116 7.767 1.00 0.00 O ATOM 935 CB ARG A 61 7.121 -0.362 6.950 1.00 0.00 C ATOM 936 CG ARG A 61 7.824 -1.719 6.897 1.00 0.00 C ATOM 937 CD ARG A 61 8.925 -1.684 5.835 1.00 0.00 C ATOM 938 NE ARG A 61 10.180 -2.255 6.400 1.00 0.00 N ATOM 939 CZ ARG A 61 11.331 -1.715 6.109 1.00 0.00 C ATOM 940 NH1 ARG A 61 11.854 -1.890 4.927 1.00 0.00 N ATOM 941 NH2 ARG A 61 11.961 -1.000 7.002 1.00 0.00 N ATOM 0 H ARG A 61 5.862 1.578 6.026 1.00 0.00 H new ATOM 0 HA ARG A 61 5.663 -1.258 5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.664 0.365 6.346 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.113 0.015 7.973 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.251 -1.957 7.871 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.105 -2.504 6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.617 -2.253 4.958 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.095 -0.659 5.506 1.00 0.00 H new ATOM 0 HE ARG A 61 10.139 -3.068 7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.363 -2.449 4.230 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.754 -1.467 4.700 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.553 -0.864 7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.861 -0.578 6.775 1.00 0.00 H new ATOM 955 N ASP A 62 4.281 -0.009 8.346 1.00 0.00 N ATOM 956 CA ASP A 62 3.382 -0.367 9.480 1.00 0.00 C ATOM 957 C ASP A 62 2.114 -1.034 8.941 1.00 0.00 C ATOM 958 O ASP A 62 1.335 -1.599 9.684 1.00 0.00 O ATOM 959 CB ASP A 62 3.003 0.901 10.249 1.00 0.00 C ATOM 960 CG ASP A 62 2.673 2.020 9.259 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.717 1.865 8.517 1.00 0.00 O ATOM 962 OD2 ASP A 62 3.383 3.012 9.260 1.00 0.00 O ATOM 0 H ASP A 62 4.463 0.988 8.236 1.00 0.00 H new ATOM 0 HA ASP A 62 3.898 -1.058 10.146 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.145 0.706 10.893 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.825 1.205 10.897 1.00 0.00 H new ATOM 967 N ARG A 63 1.901 -0.977 7.655 1.00 0.00 N ATOM 968 CA ARG A 63 0.686 -1.612 7.071 1.00 0.00 C ATOM 969 C ARG A 63 1.117 -2.726 6.119 1.00 0.00 C ATOM 970 O ARG A 63 0.336 -3.579 5.747 1.00 0.00 O ATOM 971 CB ARG A 63 -0.115 -0.563 6.296 1.00 0.00 C ATOM 972 CG ARG A 63 -1.596 -0.945 6.302 1.00 0.00 C ATOM 973 CD ARG A 63 -2.354 -0.064 5.308 1.00 0.00 C ATOM 974 NE ARG A 63 -3.743 -0.577 5.150 1.00 0.00 N ATOM 975 CZ ARG A 63 -4.697 -0.127 5.919 1.00 0.00 C ATOM 976 NH1 ARG A 63 -4.863 1.158 6.069 1.00 0.00 N ATOM 977 NH2 ARG A 63 -5.483 -0.964 6.539 1.00 0.00 N ATOM 0 H ARG A 63 2.516 -0.518 6.983 1.00 0.00 H new ATOM 0 HA ARG A 63 0.066 -2.024 7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.020 0.420 6.748 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.250 -0.495 5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.713 -1.996 6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.010 -0.822 7.303 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.374 0.967 5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.844 -0.062 4.345 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.949 -1.280 4.441 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.247 1.812 5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.609 1.509 6.670 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.352 -1.969 6.423 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.229 -0.613 7.140 1.00 0.00 H new ATOM 991 N LEU A 64 2.360 -2.722 5.728 1.00 0.00 N ATOM 992 CA LEU A 64 2.863 -3.771 4.801 1.00 0.00 C ATOM 993 C LEU A 64 2.597 -5.159 5.397 1.00 0.00 C ATOM 994 O LEU A 64 3.233 -5.542 6.359 1.00 0.00 O ATOM 995 CB LEU A 64 4.368 -3.585 4.622 1.00 0.00 C ATOM 996 CG LEU A 64 4.770 -3.980 3.204 1.00 0.00 C ATOM 997 CD1 LEU A 64 6.263 -3.717 3.018 1.00 0.00 C ATOM 998 CD2 LEU A 64 4.483 -5.467 2.988 1.00 0.00 C ATOM 0 H LEU A 64 3.054 -2.031 6.014 1.00 0.00 H new ATOM 0 HA LEU A 64 2.354 -3.687 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.641 -2.547 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.908 -4.194 5.347 1.00 0.00 H new ATOM 0 HG LEU A 64 4.200 -3.394 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.559 -3.997 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.468 -2.658 3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.829 -4.308 3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.770 -5.750 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.055 -6.056 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.419 -5.657 3.130 1.00 0.00 H new ATOM 1010 N PRO A 65 1.671 -5.877 4.810 1.00 0.00 N ATOM 1011 CA PRO A 65 1.334 -7.211 5.279 1.00 0.00 C ATOM 1012 C PRO A 65 2.608 -8.051 5.404 1.00 0.00 C ATOM 1013 O PRO A 65 3.075 -8.329 6.490 1.00 0.00 O ATOM 1014 CB PRO A 65 0.405 -7.775 4.206 1.00 0.00 C ATOM 1015 CG PRO A 65 -0.201 -6.498 3.543 1.00 0.00 C ATOM 1016 CD PRO A 65 0.903 -5.407 3.647 1.00 0.00 C ATOM 0 HA PRO A 65 0.860 -7.211 6.261 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.949 -8.383 3.483 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.369 -8.409 4.638 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.469 -6.686 2.503 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.111 -6.185 4.055 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.514 -5.355 2.746 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.484 -4.413 3.806 1.00 0.00 H new ATOM 1024 N GLU A 66 3.173 -8.450 4.298 1.00 0.00 N ATOM 1025 CA GLU A 66 4.414 -9.266 4.338 1.00 0.00 C ATOM 1026 C GLU A 66 4.793 -9.661 2.911 1.00 0.00 C ATOM 1027 O GLU A 66 5.951 -9.803 2.579 1.00 0.00 O ATOM 1028 CB GLU A 66 4.156 -10.528 5.156 1.00 0.00 C ATOM 1029 CG GLU A 66 5.480 -11.073 5.694 1.00 0.00 C ATOM 1030 CD GLU A 66 6.223 -11.805 4.575 1.00 0.00 C ATOM 1031 OE1 GLU A 66 5.693 -12.788 4.083 1.00 0.00 O ATOM 1032 OE2 GLU A 66 7.310 -11.372 4.229 1.00 0.00 O ATOM 0 H GLU A 66 2.824 -8.243 3.362 1.00 0.00 H new ATOM 0 HA GLU A 66 5.222 -8.693 4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.481 -10.306 5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.666 -11.280 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.092 -10.257 6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.295 -11.752 6.527 1.00 0.00 H new ATOM 1039 N LYS A 67 3.818 -9.835 2.063 1.00 0.00 N ATOM 1040 CA LYS A 67 4.110 -10.228 0.651 1.00 0.00 C ATOM 1041 C LYS A 67 4.797 -9.082 -0.105 1.00 0.00 C ATOM 1042 O LYS A 67 5.048 -9.183 -1.289 1.00 0.00 O ATOM 1043 CB LYS A 67 2.798 -10.583 -0.053 1.00 0.00 C ATOM 1044 CG LYS A 67 3.067 -11.621 -1.143 1.00 0.00 C ATOM 1045 CD LYS A 67 1.807 -11.813 -1.988 1.00 0.00 C ATOM 1046 CE LYS A 67 1.932 -11.007 -3.282 1.00 0.00 C ATOM 1047 NZ LYS A 67 0.984 -11.546 -4.298 1.00 0.00 N ATOM 0 H LYS A 67 2.829 -9.722 2.285 1.00 0.00 H new ATOM 0 HA LYS A 67 4.779 -11.088 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.081 -10.975 0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.354 -9.688 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.894 -11.295 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.363 -12.568 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.668 -12.869 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.929 -11.490 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.717 -9.956 -3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.954 -11.060 -3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.069 -10.998 -5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.209 -12.543 -4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.011 -11.474 -3.938 1.00 0.00 H new ATOM 1061 N LEU A 68 5.105 -7.997 0.554 1.00 0.00 N ATOM 1062 CA LEU A 68 5.774 -6.866 -0.155 1.00 0.00 C ATOM 1063 C LEU A 68 6.878 -6.287 0.732 1.00 0.00 C ATOM 1064 O LEU A 68 7.478 -5.281 0.412 1.00 0.00 O ATOM 1065 CB LEU A 68 4.755 -5.763 -0.473 1.00 0.00 C ATOM 1066 CG LEU A 68 3.338 -6.341 -0.485 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.745 -6.262 0.923 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.467 -5.532 -1.450 1.00 0.00 C ATOM 0 H LEU A 68 4.924 -7.845 1.546 1.00 0.00 H new ATOM 0 HA LEU A 68 6.203 -7.239 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.825 -4.968 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.982 -5.316 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 68 3.371 -7.381 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.736 -6.673 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.366 -6.835 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.711 -5.221 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.457 -5.942 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.433 -4.492 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.890 -5.585 -2.453 1.00 0.00 H new ATOM 1080 N ARG A 69 7.150 -6.909 1.847 1.00 0.00 N ATOM 1081 CA ARG A 69 8.211 -6.384 2.752 1.00 0.00 C ATOM 1082 C ARG A 69 9.534 -6.276 1.990 1.00 0.00 C ATOM 1083 O ARG A 69 10.146 -5.227 1.937 1.00 0.00 O ATOM 1084 CB ARG A 69 8.384 -7.334 3.939 1.00 0.00 C ATOM 1085 CG ARG A 69 9.594 -6.900 4.768 1.00 0.00 C ATOM 1086 CD ARG A 69 9.187 -6.770 6.238 1.00 0.00 C ATOM 1087 NE ARG A 69 9.988 -7.720 7.060 1.00 0.00 N ATOM 1088 CZ ARG A 69 9.897 -9.004 6.847 1.00 0.00 C ATOM 1089 NH1 ARG A 69 8.838 -9.657 7.241 1.00 0.00 N ATOM 1090 NH2 ARG A 69 10.865 -9.635 6.240 1.00 0.00 N ATOM 0 H ARG A 69 6.684 -7.757 2.170 1.00 0.00 H new ATOM 0 HA ARG A 69 7.921 -5.397 3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.486 -7.329 4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.521 -8.355 3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.398 -7.628 4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.977 -5.948 4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.349 -5.749 6.582 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.124 -6.980 6.352 1.00 0.00 H new ATOM 0 HE ARG A 69 10.607 -7.367 7.789 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.082 -9.164 7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.767 -10.661 7.075 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.693 -9.124 5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.794 -10.639 6.073 1.00 0.00 H new ATOM 1104 N TYR A 70 9.983 -7.351 1.405 1.00 0.00 N ATOM 1105 CA TYR A 70 11.270 -7.307 0.654 1.00 0.00 C ATOM 1106 C TYR A 70 11.230 -6.173 -0.374 1.00 0.00 C ATOM 1107 O TYR A 70 12.242 -5.587 -0.703 1.00 0.00 O ATOM 1108 CB TYR A 70 11.489 -8.637 -0.067 1.00 0.00 C ATOM 1109 CG TYR A 70 10.206 -9.074 -0.730 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.825 -8.513 -1.955 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.398 -10.041 -0.122 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.635 -8.920 -2.572 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.208 -10.449 -0.738 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.827 -9.887 -1.963 1.00 0.00 C ATOM 1115 OH TYR A 70 6.655 -10.289 -2.572 1.00 0.00 O ATOM 0 H TYR A 70 9.516 -8.258 1.414 1.00 0.00 H new ATOM 0 HA TYR A 70 12.087 -7.133 1.354 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.277 -8.532 -0.812 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.820 -9.396 0.642 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.449 -7.766 -2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.692 -10.473 0.823 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.341 -8.488 -3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.585 -11.196 -0.269 1.00 0.00 H new ATOM 0 HH TYR A 70 5.897 -10.101 -1.979 1.00 0.00 H new ATOM 1125 N LEU A 71 10.070 -5.857 -0.880 1.00 0.00 N ATOM 1126 CA LEU A 71 9.971 -4.759 -1.882 1.00 0.00 C ATOM 1127 C LEU A 71 10.236 -3.423 -1.189 1.00 0.00 C ATOM 1128 O LEU A 71 10.995 -2.603 -1.667 1.00 0.00 O ATOM 1129 CB LEU A 71 8.568 -4.756 -2.496 1.00 0.00 C ATOM 1130 CG LEU A 71 8.618 -5.376 -3.893 1.00 0.00 C ATOM 1131 CD1 LEU A 71 7.296 -6.089 -4.183 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.838 -4.273 -4.928 1.00 0.00 C ATOM 0 H LEU A 71 9.188 -6.311 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 71 10.707 -4.911 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.882 -5.318 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.187 -3.736 -2.553 1.00 0.00 H new ATOM 0 HG LEU A 71 9.436 -6.094 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.332 -6.531 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.136 -6.874 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.477 -5.371 -4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.874 -4.712 -5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.018 -3.557 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.779 -3.763 -4.722 1.00 0.00 H new ATOM 1144 N ALA A 72 9.624 -3.199 -0.058 1.00 0.00 N ATOM 1145 CA ALA A 72 9.849 -1.920 0.670 1.00 0.00 C ATOM 1146 C ALA A 72 11.276 -1.900 1.221 1.00 0.00 C ATOM 1147 O ALA A 72 11.755 -0.888 1.695 1.00 0.00 O ATOM 1148 CB ALA A 72 8.852 -1.809 1.825 1.00 0.00 C ATOM 0 H ALA A 72 8.978 -3.847 0.393 1.00 0.00 H new ATOM 0 HA ALA A 72 9.708 -1.080 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.016 -0.873 2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.836 -1.829 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.993 -2.646 2.509 1.00 0.00 H new ATOM 1154 N ASP A 73 11.960 -3.011 1.161 1.00 0.00 N ATOM 1155 CA ASP A 73 13.357 -3.057 1.678 1.00 0.00 C ATOM 1156 C ASP A 73 14.323 -2.629 0.574 1.00 0.00 C ATOM 1157 O ASP A 73 15.402 -2.136 0.835 1.00 0.00 O ATOM 1158 CB ASP A 73 13.691 -4.484 2.116 1.00 0.00 C ATOM 1159 CG ASP A 73 13.413 -4.640 3.613 1.00 0.00 C ATOM 1160 OD1 ASP A 73 13.936 -3.845 4.378 1.00 0.00 O ATOM 1161 OD2 ASP A 73 12.683 -5.549 3.969 1.00 0.00 O ATOM 0 H ASP A 73 11.611 -3.889 0.776 1.00 0.00 H new ATOM 0 HA ASP A 73 13.451 -2.382 2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.094 -5.198 1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.737 -4.704 1.905 1.00 0.00 H new ATOM 1166 N ALA A 74 13.944 -2.816 -0.660 1.00 0.00 N ATOM 1167 CA ALA A 74 14.841 -2.422 -1.783 1.00 0.00 C ATOM 1168 C ALA A 74 15.071 -0.909 -1.748 1.00 0.00 C ATOM 1169 O ALA A 74 14.337 -0.188 -1.101 1.00 0.00 O ATOM 1170 CB ALA A 74 14.187 -2.803 -3.111 1.00 0.00 C ATOM 0 H ALA A 74 13.052 -3.225 -0.939 1.00 0.00 H new ATOM 0 HA ALA A 74 15.796 -2.938 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.841 -2.516 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.020 -3.880 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.233 -2.285 -3.208 1.00 0.00 H new ATOM 1176 N PRO A 75 16.083 -0.471 -2.455 1.00 0.00 N ATOM 1177 CA PRO A 75 16.418 0.944 -2.524 1.00 0.00 C ATOM 1178 C PRO A 75 15.169 1.758 -2.873 1.00 0.00 C ATOM 1179 O PRO A 75 14.199 1.235 -3.384 1.00 0.00 O ATOM 1180 CB PRO A 75 17.455 1.036 -3.638 1.00 0.00 C ATOM 1181 CG PRO A 75 18.091 -0.390 -3.664 1.00 0.00 C ATOM 1182 CD PRO A 75 16.958 -1.364 -3.229 1.00 0.00 C ATOM 0 HA PRO A 75 16.797 1.337 -1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.996 1.288 -4.594 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.200 1.804 -3.430 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.459 -0.637 -4.660 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.942 -0.452 -2.986 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.443 -1.802 -4.084 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.336 -2.190 -2.627 1.00 0.00 H new ATOM 1190 N GLN A 76 15.180 3.034 -2.598 1.00 0.00 N ATOM 1191 CA GLN A 76 13.987 3.872 -2.915 1.00 0.00 C ATOM 1192 C GLN A 76 14.441 5.214 -3.491 1.00 0.00 C ATOM 1193 O GLN A 76 13.841 6.238 -3.241 1.00 0.00 O ATOM 1194 CB GLN A 76 13.178 4.120 -1.637 1.00 0.00 C ATOM 1195 CG GLN A 76 13.364 2.950 -0.669 1.00 0.00 C ATOM 1196 CD GLN A 76 14.575 3.217 0.229 1.00 0.00 C ATOM 1197 OE1 GLN A 76 15.061 4.328 0.298 1.00 0.00 O ATOM 1198 NE2 GLN A 76 15.084 2.239 0.925 1.00 0.00 N ATOM 0 H GLN A 76 15.960 3.532 -2.169 1.00 0.00 H new ATOM 0 HA GLN A 76 13.367 3.351 -3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.501 5.048 -1.166 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.122 4.237 -1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.468 2.821 -0.061 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.508 2.024 -1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 76 14.676 1.306 0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 76 15.890 2.407 1.527 1.00 0.00 H new ATOM 1207 N GLN A 77 15.489 5.212 -4.272 1.00 0.00 N ATOM 1208 CA GLN A 77 15.981 6.484 -4.875 1.00 0.00 C ATOM 1209 C GLN A 77 17.435 6.313 -5.320 1.00 0.00 C ATOM 1210 O GLN A 77 17.928 7.049 -6.152 1.00 0.00 O ATOM 1211 CB GLN A 77 15.909 7.614 -3.843 1.00 0.00 C ATOM 1212 CG GLN A 77 16.389 7.096 -2.486 1.00 0.00 C ATOM 1213 CD GLN A 77 15.306 7.339 -1.433 1.00 0.00 C ATOM 1214 OE1 GLN A 77 14.331 8.015 -1.693 1.00 0.00 O ATOM 1215 NE2 GLN A 77 15.436 6.812 -0.246 1.00 0.00 N ATOM 0 H GLN A 77 16.027 4.381 -4.519 1.00 0.00 H new ATOM 0 HA GLN A 77 15.356 6.732 -5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.526 8.453 -4.163 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.887 7.983 -3.763 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.615 6.032 -2.551 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.311 7.601 -2.198 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.255 6.244 -0.027 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.719 6.968 0.463 1.00 0.00 H new ATOM 1224 N ASP A 78 18.126 5.354 -4.767 1.00 0.00 N ATOM 1225 CA ASP A 78 19.550 5.138 -5.149 1.00 0.00 C ATOM 1226 C ASP A 78 20.432 6.179 -4.448 1.00 0.00 C ATOM 1227 O ASP A 78 19.935 7.155 -3.922 1.00 0.00 O ATOM 1228 CB ASP A 78 19.700 5.274 -6.666 1.00 0.00 C ATOM 1229 CG ASP A 78 20.402 4.035 -7.222 1.00 0.00 C ATOM 1230 OD1 ASP A 78 20.196 2.966 -6.671 1.00 0.00 O ATOM 1231 OD2 ASP A 78 21.136 4.177 -8.186 1.00 0.00 O ATOM 0 H ASP A 78 17.764 4.709 -4.065 1.00 0.00 H new ATOM 0 HA ASP A 78 19.860 4.138 -4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 78 18.720 5.389 -7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 78 20.274 6.169 -6.907 1.00 0.00 H new ATOM 1236 N PRO A 79 21.721 5.936 -4.460 1.00 0.00 N ATOM 1237 CA PRO A 79 22.692 6.828 -3.833 1.00 0.00 C ATOM 1238 C PRO A 79 22.546 8.263 -4.358 1.00 0.00 C ATOM 1239 O PRO A 79 23.092 9.192 -3.798 1.00 0.00 O ATOM 1240 CB PRO A 79 24.049 6.255 -4.229 1.00 0.00 C ATOM 1241 CG PRO A 79 23.738 4.755 -4.521 1.00 0.00 C ATOM 1242 CD PRO A 79 22.297 4.741 -5.098 1.00 0.00 C ATOM 0 HA PRO A 79 22.556 6.882 -2.753 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.457 6.758 -5.105 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.781 6.365 -3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.451 4.337 -5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.804 4.155 -3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 79 22.289 4.811 -6.186 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.757 3.832 -4.833 1.00 0.00 H new ATOM 1250 N GLU A 80 21.823 8.459 -5.430 1.00 0.00 N ATOM 1251 CA GLU A 80 21.664 9.836 -5.974 1.00 0.00 C ATOM 1252 C GLU A 80 20.462 10.514 -5.313 1.00 0.00 C ATOM 1253 O GLU A 80 20.589 11.552 -4.694 1.00 0.00 O ATOM 1254 CB GLU A 80 21.441 9.762 -7.486 1.00 0.00 C ATOM 1255 CG GLU A 80 21.365 11.178 -8.062 1.00 0.00 C ATOM 1256 CD GLU A 80 22.779 11.725 -8.265 1.00 0.00 C ATOM 1257 OE1 GLU A 80 23.332 11.504 -9.330 1.00 0.00 O ATOM 1258 OE2 GLU A 80 23.286 12.355 -7.351 1.00 0.00 O ATOM 0 H GLU A 80 21.338 7.727 -5.949 1.00 0.00 H new ATOM 0 HA GLU A 80 22.564 10.415 -5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.254 9.210 -7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.520 9.220 -7.702 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.828 11.167 -9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.806 11.827 -7.387 1.00 0.00 H new ATOM 1265 N GLY A 81 19.297 9.939 -5.433 1.00 0.00 N ATOM 1266 CA GLY A 81 18.097 10.560 -4.803 1.00 0.00 C ATOM 1267 C GLY A 81 17.028 10.819 -5.866 1.00 0.00 C ATOM 1268 O GLY A 81 16.198 11.695 -5.723 1.00 0.00 O ATOM 0 H GLY A 81 19.124 9.070 -5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.701 9.903 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.373 11.496 -4.317 1.00 0.00 H new ATOM 1272 N ASN A 82 17.036 10.064 -6.930 1.00 0.00 N ATOM 1273 CA ASN A 82 16.012 10.271 -7.996 1.00 0.00 C ATOM 1274 C ASN A 82 14.771 9.441 -7.664 1.00 0.00 C ATOM 1275 O ASN A 82 13.920 9.218 -8.502 1.00 0.00 O ATOM 1276 CB ASN A 82 16.567 9.828 -9.358 1.00 0.00 C ATOM 1277 CG ASN A 82 18.095 9.737 -9.306 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.766 10.720 -9.061 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.675 8.589 -9.529 1.00 0.00 N ATOM 0 H ASN A 82 17.705 9.315 -7.108 1.00 0.00 H new ATOM 0 HA ASN A 82 15.755 11.329 -8.045 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.147 8.860 -9.632 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.264 10.536 -10.129 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.692 8.517 -9.498 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.111 7.764 -9.735 1.00 0.00 H new ATOM 1286 N LYS A 83 14.664 8.980 -6.447 1.00 0.00 N ATOM 1287 CA LYS A 83 13.489 8.161 -6.056 1.00 0.00 C ATOM 1288 C LYS A 83 13.419 6.915 -6.919 1.00 0.00 C ATOM 1289 O LYS A 83 13.646 6.946 -8.112 1.00 0.00 O ATOM 1290 CB LYS A 83 12.219 8.965 -6.228 1.00 0.00 C ATOM 1291 CG LYS A 83 12.127 9.969 -5.087 1.00 0.00 C ATOM 1292 CD LYS A 83 10.668 10.138 -4.675 1.00 0.00 C ATOM 1293 CE LYS A 83 10.225 11.580 -4.934 1.00 0.00 C ATOM 1294 NZ LYS A 83 8.958 11.850 -4.197 1.00 0.00 N ATOM 0 H LYS A 83 15.346 9.138 -5.705 1.00 0.00 H new ATOM 0 HA LYS A 83 13.593 7.871 -5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.224 9.481 -7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.350 8.307 -6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.718 9.626 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.542 10.928 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.039 9.447 -5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.547 9.894 -3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.001 12.274 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.078 11.741 -6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.656 12.830 -4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.219 11.196 -4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.113 11.713 -3.178 1.00 0.00 H new ATOM 1308 N THR A 84 13.112 5.816 -6.315 1.00 0.00 N ATOM 1309 CA THR A 84 13.027 4.546 -7.078 1.00 0.00 C ATOM 1310 C THR A 84 11.725 3.840 -6.718 1.00 0.00 C ATOM 1311 O THR A 84 11.432 3.611 -5.562 1.00 0.00 O ATOM 1312 CB THR A 84 14.223 3.665 -6.720 1.00 0.00 C ATOM 1313 OG1 THR A 84 15.369 4.483 -6.539 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.488 2.680 -7.847 1.00 0.00 C ATOM 0 H THR A 84 12.914 5.737 -5.318 1.00 0.00 H new ATOM 0 HA THR A 84 13.042 4.746 -8.149 1.00 0.00 H new ATOM 0 HB THR A 84 14.008 3.119 -5.802 1.00 0.00 H new ATOM 0 HG1 THR A 84 15.907 4.479 -7.358 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.341 2.053 -7.589 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.609 2.053 -7.996 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.704 3.227 -8.765 1.00 0.00 H new ATOM 1322 N MET A 85 10.933 3.503 -7.697 1.00 0.00 N ATOM 1323 CA MET A 85 9.644 2.824 -7.394 1.00 0.00 C ATOM 1324 C MET A 85 9.743 1.342 -7.754 1.00 0.00 C ATOM 1325 O MET A 85 10.763 0.871 -8.214 1.00 0.00 O ATOM 1326 CB MET A 85 8.499 3.506 -8.168 1.00 0.00 C ATOM 1327 CG MET A 85 8.302 2.850 -9.536 1.00 0.00 C ATOM 1328 SD MET A 85 6.785 3.472 -10.296 1.00 0.00 S ATOM 1329 CE MET A 85 6.058 1.854 -10.653 1.00 0.00 C ATOM 0 H MET A 85 11.121 3.667 -8.686 1.00 0.00 H new ATOM 0 HA MET A 85 9.431 2.904 -6.328 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.576 3.441 -7.592 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.721 4.565 -8.296 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.156 3.063 -10.179 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.248 1.767 -9.426 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.035 1.985 -11.005 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.645 1.353 -11.423 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.056 1.248 -9.747 1.00 0.00 H new ATOM 1339 N VAL A 86 8.692 0.604 -7.542 1.00 0.00 N ATOM 1340 CA VAL A 86 8.732 -0.845 -7.866 1.00 0.00 C ATOM 1341 C VAL A 86 8.316 -1.068 -9.323 1.00 0.00 C ATOM 1342 O VAL A 86 7.625 -0.267 -9.917 1.00 0.00 O ATOM 1343 CB VAL A 86 7.772 -1.596 -6.941 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.724 -3.070 -7.345 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.265 -1.475 -5.498 1.00 0.00 C ATOM 0 H VAL A 86 7.809 0.941 -7.159 1.00 0.00 H new ATOM 0 HA VAL A 86 9.747 -1.217 -7.725 1.00 0.00 H new ATOM 0 HB VAL A 86 6.773 -1.167 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.040 -3.606 -6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.376 -3.154 -8.375 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.721 -3.503 -7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.584 -2.009 -4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.263 -1.906 -5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.300 -0.424 -5.212 1.00 0.00 H new ATOM 1355 N ARG A 87 8.735 -2.161 -9.892 1.00 0.00 N ATOM 1356 CA ARG A 87 8.373 -2.473 -11.303 1.00 0.00 C ATOM 1357 C ARG A 87 8.156 -3.983 -11.410 1.00 0.00 C ATOM 1358 O ARG A 87 8.205 -4.690 -10.424 1.00 0.00 O ATOM 1359 CB ARG A 87 9.507 -2.059 -12.245 1.00 0.00 C ATOM 1360 CG ARG A 87 10.009 -0.667 -11.865 1.00 0.00 C ATOM 1361 CD ARG A 87 9.039 0.380 -12.410 1.00 0.00 C ATOM 1362 NE ARG A 87 9.800 1.584 -12.849 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.738 1.977 -14.091 1.00 0.00 C ATOM 1364 NH1 ARG A 87 8.599 2.365 -14.598 1.00 0.00 N ATOM 1365 NH2 ARG A 87 10.815 1.981 -14.829 1.00 0.00 N ATOM 0 H ARG A 87 9.320 -2.861 -9.435 1.00 0.00 H new ATOM 0 HA ARG A 87 7.471 -1.929 -11.584 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.323 -2.779 -12.186 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.155 -2.060 -13.277 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.088 -0.579 -10.781 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.007 -0.503 -12.272 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.476 -0.032 -13.247 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.315 0.654 -11.643 1.00 0.00 H new ATOM 0 HE ARG A 87 10.369 2.100 -12.178 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.757 2.361 -14.023 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.551 2.672 -15.569 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.705 1.677 -14.434 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.766 2.288 -15.800 1.00 0.00 H new ATOM 1379 N PHE A 88 7.928 -4.493 -12.586 1.00 0.00 N ATOM 1380 CA PHE A 88 7.725 -5.963 -12.711 1.00 0.00 C ATOM 1381 C PHE A 88 8.202 -6.450 -14.077 1.00 0.00 C ATOM 1382 O PHE A 88 7.853 -5.903 -15.104 1.00 0.00 O ATOM 1383 CB PHE A 88 6.245 -6.305 -12.552 1.00 0.00 C ATOM 1384 CG PHE A 88 6.063 -7.793 -12.738 1.00 0.00 C ATOM 1385 CD1 PHE A 88 5.989 -8.335 -14.026 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.973 -8.630 -11.620 1.00 0.00 C ATOM 1387 CE1 PHE A 88 5.823 -9.714 -14.196 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.809 -10.010 -11.789 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.733 -10.551 -13.077 1.00 0.00 C ATOM 0 H PHE A 88 7.874 -3.964 -13.457 1.00 0.00 H new ATOM 0 HA PHE A 88 8.302 -6.455 -11.928 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.892 -6.003 -11.566 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.651 -5.758 -13.284 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.060 -7.689 -14.889 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.030 -8.211 -10.626 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.764 -10.133 -15.190 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.741 -10.656 -10.926 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.605 -11.615 -13.208 1.00 0.00 H new ATOM 1399 N SER A 89 8.981 -7.493 -14.091 1.00 0.00 N ATOM 1400 CA SER A 89 9.470 -8.044 -15.382 1.00 0.00 C ATOM 1401 C SER A 89 8.855 -9.429 -15.577 1.00 0.00 C ATOM 1402 O SER A 89 8.727 -10.195 -14.643 1.00 0.00 O ATOM 1403 CB SER A 89 10.994 -8.158 -15.350 1.00 0.00 C ATOM 1404 OG SER A 89 11.502 -7.362 -14.287 1.00 0.00 O ATOM 0 H SER A 89 9.301 -7.990 -13.260 1.00 0.00 H new ATOM 0 HA SER A 89 9.184 -7.386 -16.203 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.290 -9.198 -15.214 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.415 -7.828 -16.300 1.00 0.00 H new ATOM 0 HG SER A 89 11.144 -6.453 -14.359 1.00 0.00 H new ATOM 1410 N ARG A 90 8.466 -9.759 -16.776 1.00 0.00 N ATOM 1411 CA ARG A 90 7.856 -11.096 -17.008 1.00 0.00 C ATOM 1412 C ARG A 90 8.958 -12.100 -17.331 1.00 0.00 C ATOM 1413 O ARG A 90 8.878 -13.261 -16.979 1.00 0.00 O ATOM 1414 CB ARG A 90 6.872 -11.017 -18.178 1.00 0.00 C ATOM 1415 CG ARG A 90 6.367 -12.421 -18.523 1.00 0.00 C ATOM 1416 CD ARG A 90 6.023 -13.176 -17.238 1.00 0.00 C ATOM 1417 NE ARG A 90 4.812 -14.015 -17.462 1.00 0.00 N ATOM 1418 CZ ARG A 90 4.906 -15.133 -18.126 1.00 0.00 C ATOM 1419 NH1 ARG A 90 5.820 -16.008 -17.804 1.00 0.00 N ATOM 1420 NH2 ARG A 90 4.088 -15.377 -19.113 1.00 0.00 N ATOM 0 H ARG A 90 8.543 -9.164 -17.601 1.00 0.00 H new ATOM 0 HA ARG A 90 7.322 -11.415 -16.113 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.033 -10.372 -17.917 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.359 -10.572 -19.046 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.488 -12.354 -19.163 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.128 -12.964 -19.083 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.862 -13.803 -16.937 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.845 -12.471 -16.426 1.00 0.00 H new ATOM 0 HE ARG A 90 3.909 -13.714 -17.096 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.460 -15.817 -17.033 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.894 -16.883 -18.323 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.375 -14.693 -19.365 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.162 -16.252 -19.632 1.00 0.00 H new ATOM 1434 N LYS A 91 9.991 -11.660 -17.991 1.00 0.00 N ATOM 1435 CA LYS A 91 11.108 -12.585 -18.330 1.00 0.00 C ATOM 1436 C LYS A 91 11.429 -13.449 -17.109 1.00 0.00 C ATOM 1437 O LYS A 91 11.912 -14.558 -17.231 1.00 0.00 O ATOM 1438 CB LYS A 91 12.354 -11.780 -18.717 1.00 0.00 C ATOM 1439 CG LYS A 91 11.946 -10.545 -19.522 1.00 0.00 C ATOM 1440 CD LYS A 91 11.884 -9.330 -18.593 1.00 0.00 C ATOM 1441 CE LYS A 91 11.154 -8.184 -19.297 1.00 0.00 C ATOM 1442 NZ LYS A 91 11.742 -7.978 -20.650 1.00 0.00 N ATOM 0 H LYS A 91 10.111 -10.699 -18.311 1.00 0.00 H new ATOM 0 HA LYS A 91 10.812 -13.215 -19.169 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.896 -11.478 -17.821 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.031 -12.401 -19.304 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.662 -10.367 -20.324 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.976 -10.708 -19.991 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.367 -9.591 -17.670 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.891 -9.018 -18.317 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.092 -8.413 -19.381 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.238 -7.270 -18.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.504 -7.025 -20.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.776 -8.079 -20.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.357 -8.686 -21.307 1.00 0.00 H new ATOM 1456 N THR A 92 11.165 -12.950 -15.932 1.00 0.00 N ATOM 1457 CA THR A 92 11.458 -13.746 -14.706 1.00 0.00 C ATOM 1458 C THR A 92 10.267 -13.683 -13.748 1.00 0.00 C ATOM 1459 O THR A 92 10.281 -14.279 -12.689 1.00 0.00 O ATOM 1460 CB THR A 92 12.696 -13.173 -14.010 1.00 0.00 C ATOM 1461 OG1 THR A 92 12.534 -11.771 -13.842 1.00 0.00 O ATOM 1462 CG2 THR A 92 13.935 -13.448 -14.860 1.00 0.00 C ATOM 0 H THR A 92 10.760 -12.028 -15.766 1.00 0.00 H new ATOM 0 HA THR A 92 11.640 -14.783 -14.988 1.00 0.00 H new ATOM 0 HB THR A 92 12.817 -13.645 -13.035 1.00 0.00 H new ATOM 0 HG1 THR A 92 12.727 -11.529 -12.912 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.815 -13.040 -14.363 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.057 -14.524 -14.988 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.818 -12.977 -15.836 1.00 0.00 H new ATOM 1470 N LYS A 93 9.236 -12.965 -14.104 1.00 0.00 N ATOM 1471 CA LYS A 93 8.055 -12.868 -13.204 1.00 0.00 C ATOM 1472 C LYS A 93 8.521 -12.471 -11.802 1.00 0.00 C ATOM 1473 O LYS A 93 8.344 -13.202 -10.848 1.00 0.00 O ATOM 1474 CB LYS A 93 7.348 -14.224 -13.142 1.00 0.00 C ATOM 1475 CG LYS A 93 6.021 -14.143 -13.900 1.00 0.00 C ATOM 1476 CD LYS A 93 4.861 -14.325 -12.918 1.00 0.00 C ATOM 1477 CE LYS A 93 4.675 -15.813 -12.617 1.00 0.00 C ATOM 1478 NZ LYS A 93 3.245 -16.079 -12.295 1.00 0.00 N ATOM 0 H LYS A 93 9.162 -12.443 -14.977 1.00 0.00 H new ATOM 0 HA LYS A 93 7.364 -12.117 -13.586 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.981 -14.997 -13.578 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.170 -14.506 -12.104 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.936 -13.181 -14.405 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.983 -14.912 -14.671 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.062 -13.779 -11.996 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.945 -13.911 -13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.983 -16.410 -13.475 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.308 -16.108 -11.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.118 -17.091 -12.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.967 -15.520 -11.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.651 -15.813 -13.106 1.00 0.00 H new ATOM 1492 N GLN A 94 9.121 -11.317 -11.669 1.00 0.00 N ATOM 1493 CA GLN A 94 9.601 -10.881 -10.327 1.00 0.00 C ATOM 1494 C GLN A 94 9.366 -9.378 -10.153 1.00 0.00 C ATOM 1495 O GLN A 94 8.724 -8.743 -10.965 1.00 0.00 O ATOM 1496 CB GLN A 94 11.096 -11.178 -10.202 1.00 0.00 C ATOM 1497 CG GLN A 94 11.322 -12.688 -10.278 1.00 0.00 C ATOM 1498 CD GLN A 94 12.751 -12.967 -10.750 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.305 -12.215 -11.526 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.374 -14.026 -10.310 1.00 0.00 N ATOM 0 H GLN A 94 9.298 -10.661 -12.429 1.00 0.00 H new ATOM 0 HA GLN A 94 9.052 -11.422 -9.556 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.645 -10.676 -10.999 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.478 -10.789 -9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.155 -13.141 -9.301 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.606 -13.140 -10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.908 -14.658 -9.658 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.326 -14.222 -10.618 1.00 0.00 H new ATOM 1509 N GLN A 95 9.885 -8.807 -9.099 1.00 0.00 N ATOM 1510 CA GLN A 95 9.695 -7.346 -8.872 1.00 0.00 C ATOM 1511 C GLN A 95 11.047 -6.631 -8.954 1.00 0.00 C ATOM 1512 O GLN A 95 11.973 -6.952 -8.236 1.00 0.00 O ATOM 1513 CB GLN A 95 9.085 -7.113 -7.486 1.00 0.00 C ATOM 1514 CG GLN A 95 8.018 -6.022 -7.576 1.00 0.00 C ATOM 1515 CD GLN A 95 6.756 -6.593 -8.224 1.00 0.00 C ATOM 1516 OE1 GLN A 95 6.761 -7.704 -8.717 1.00 0.00 O ATOM 1517 NE2 GLN A 95 5.667 -5.875 -8.244 1.00 0.00 N ATOM 0 H GLN A 95 10.432 -9.289 -8.386 1.00 0.00 H new ATOM 0 HA GLN A 95 9.026 -6.951 -9.636 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.645 -8.037 -7.111 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.862 -6.820 -6.780 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.788 -5.641 -6.581 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.391 -5.181 -8.161 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.663 -4.943 -7.830 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.819 -6.246 -8.673 1.00 0.00 H new ATOM 1526 N TYR A 96 11.161 -5.657 -9.814 1.00 0.00 N ATOM 1527 CA TYR A 96 12.447 -4.914 -9.932 1.00 0.00 C ATOM 1528 C TYR A 96 12.167 -3.416 -9.774 1.00 0.00 C ATOM 1529 O TYR A 96 11.223 -2.897 -10.325 1.00 0.00 O ATOM 1530 CB TYR A 96 13.084 -5.196 -11.301 1.00 0.00 C ATOM 1531 CG TYR A 96 12.392 -4.389 -12.376 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.853 -3.105 -12.692 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.296 -4.927 -13.061 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.218 -2.360 -13.692 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.660 -4.181 -14.060 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.122 -2.898 -14.376 1.00 0.00 C ATOM 1537 OH TYR A 96 10.497 -2.162 -15.363 1.00 0.00 O ATOM 0 H TYR A 96 10.419 -5.343 -10.440 1.00 0.00 H new ATOM 0 HA TYR A 96 13.139 -5.238 -9.155 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.145 -4.946 -11.275 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.012 -6.259 -11.531 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.699 -2.690 -12.164 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.941 -5.918 -12.819 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.574 -1.370 -13.936 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.813 -4.595 -14.587 1.00 0.00 H new ATOM 0 HH TYR A 96 9.756 -2.681 -15.738 1.00 0.00 H new ATOM 1547 N VAL A 97 12.968 -2.717 -9.020 1.00 0.00 N ATOM 1548 CA VAL A 97 12.715 -1.256 -8.831 1.00 0.00 C ATOM 1549 C VAL A 97 13.434 -0.459 -9.919 1.00 0.00 C ATOM 1550 O VAL A 97 14.297 -0.964 -10.610 1.00 0.00 O ATOM 1551 CB VAL A 97 13.230 -0.812 -7.459 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.196 -1.159 -6.389 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.546 -1.526 -7.145 1.00 0.00 C ATOM 0 H VAL A 97 13.781 -3.087 -8.529 1.00 0.00 H new ATOM 0 HA VAL A 97 11.642 -1.074 -8.894 1.00 0.00 H new ATOM 0 HB VAL A 97 13.397 0.265 -7.469 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.563 -0.843 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.259 -0.646 -6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.027 -2.236 -6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.909 -1.207 -6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.382 -2.604 -7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.286 -1.277 -7.906 1.00 0.00 H new ATOM 1563 N SER A 98 13.079 0.787 -10.076 1.00 0.00 N ATOM 1564 CA SER A 98 13.734 1.626 -11.116 1.00 0.00 C ATOM 1565 C SER A 98 13.741 3.089 -10.662 1.00 0.00 C ATOM 1566 O SER A 98 12.709 3.673 -10.390 1.00 0.00 O ATOM 1567 CB SER A 98 12.962 1.498 -12.429 1.00 0.00 C ATOM 1568 OG SER A 98 13.683 0.653 -13.317 1.00 0.00 O ATOM 0 H SER A 98 12.362 1.260 -9.527 1.00 0.00 H new ATOM 0 HA SER A 98 14.760 1.290 -11.265 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.970 1.087 -12.242 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.820 2.481 -12.878 1.00 0.00 H new ATOM 0 HG SER A 98 14.592 1.001 -13.434 1.00 0.00 H new ATOM 1574 N SER A 99 14.900 3.685 -10.577 1.00 0.00 N ATOM 1575 CA SER A 99 14.986 5.109 -10.143 1.00 0.00 C ATOM 1576 C SER A 99 14.451 6.011 -11.259 1.00 0.00 C ATOM 1577 O SER A 99 14.966 6.020 -12.359 1.00 0.00 O ATOM 1578 CB SER A 99 16.445 5.468 -9.859 1.00 0.00 C ATOM 1579 OG SER A 99 17.067 4.393 -9.167 1.00 0.00 O ATOM 0 H SER A 99 15.795 3.244 -10.791 1.00 0.00 H new ATOM 0 HA SER A 99 14.393 5.251 -9.239 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.971 5.667 -10.793 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.498 6.379 -9.263 1.00 0.00 H new ATOM 0 HG SER A 99 17.142 3.620 -9.764 1.00 0.00 H new ATOM 1585 N GLU A 100 13.423 6.766 -10.989 1.00 0.00 N ATOM 1586 CA GLU A 100 12.862 7.663 -12.039 1.00 0.00 C ATOM 1587 C GLU A 100 12.668 9.065 -11.460 1.00 0.00 C ATOM 1588 O GLU A 100 12.413 9.230 -10.284 1.00 0.00 O ATOM 1589 CB GLU A 100 11.512 7.115 -12.509 1.00 0.00 C ATOM 1590 CG GLU A 100 11.648 5.624 -12.826 1.00 0.00 C ATOM 1591 CD GLU A 100 10.405 4.881 -12.335 1.00 0.00 C ATOM 1592 OE1 GLU A 100 10.249 4.759 -11.130 1.00 0.00 O ATOM 1593 OE2 GLU A 100 9.629 4.447 -13.170 1.00 0.00 O ATOM 0 H GLU A 100 12.947 6.801 -10.088 1.00 0.00 H new ATOM 0 HA GLU A 100 13.550 7.710 -12.883 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.758 7.266 -11.737 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.176 7.656 -13.393 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.770 5.480 -13.899 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.539 5.219 -12.346 1.00 0.00 H new ATOM 1600 N LYS A 101 12.788 10.079 -12.274 1.00 0.00 N ATOM 1601 CA LYS A 101 12.610 11.466 -11.761 1.00 0.00 C ATOM 1602 C LYS A 101 11.210 11.976 -12.100 1.00 0.00 C ATOM 1603 O LYS A 101 10.987 12.582 -13.129 1.00 0.00 O ATOM 1604 CB LYS A 101 13.649 12.379 -12.380 1.00 0.00 C ATOM 1605 CG LYS A 101 14.472 12.974 -11.246 1.00 0.00 C ATOM 1606 CD LYS A 101 15.943 12.962 -11.631 1.00 0.00 C ATOM 1607 CE LYS A 101 16.441 14.398 -11.808 1.00 0.00 C ATOM 1608 NZ LYS A 101 17.487 14.435 -12.869 1.00 0.00 N ATOM 0 H LYS A 101 13.001 10.007 -13.269 1.00 0.00 H new ATOM 0 HA LYS A 101 12.733 11.460 -10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.288 11.823 -13.066 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.169 13.168 -12.960 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.146 13.994 -11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.319 12.401 -10.331 1.00 0.00 H new ATOM 0 HD2 LYS A 101 16.526 12.457 -10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.082 12.402 -12.556 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.611 15.051 -12.078 1.00 0.00 H new ATOM 0 HE3 LYS A 101 16.848 14.771 -10.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 17.825 15.411 -12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 18.282 13.824 -12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 17.084 14.095 -13.766 1.00 0.00 H new ATOM 1622 N ASP A 102 10.269 11.736 -11.233 1.00 0.00 N ATOM 1623 CA ASP A 102 8.874 12.205 -11.483 1.00 0.00 C ATOM 1624 C ASP A 102 8.433 11.809 -12.896 1.00 0.00 C ATOM 1625 O ASP A 102 7.519 12.384 -13.451 1.00 0.00 O ATOM 1626 CB ASP A 102 8.819 13.728 -11.343 1.00 0.00 C ATOM 1627 CG ASP A 102 7.846 14.101 -10.222 1.00 0.00 C ATOM 1628 OD1 ASP A 102 7.781 13.366 -9.250 1.00 0.00 O ATOM 1629 OD2 ASP A 102 7.183 15.118 -10.354 1.00 0.00 O ATOM 0 H ASP A 102 10.404 11.233 -10.356 1.00 0.00 H new ATOM 0 HA ASP A 102 8.205 11.742 -10.757 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.812 14.120 -11.123 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.499 14.179 -12.282 1.00 0.00 H new ATOM 1634 N GLY A 103 9.071 10.834 -13.484 1.00 0.00 N ATOM 1635 CA GLY A 103 8.680 10.413 -14.859 1.00 0.00 C ATOM 1636 C GLY A 103 9.863 10.629 -15.800 1.00 0.00 C ATOM 1637 O GLY A 103 9.709 11.076 -16.919 1.00 0.00 O ATOM 0 H GLY A 103 9.845 10.312 -13.073 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.383 9.364 -14.862 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.819 10.989 -15.198 1.00 0.00 H new ATOM 1641 N LYS A 104 11.046 10.323 -15.347 1.00 0.00 N ATOM 1642 CA LYS A 104 12.244 10.516 -16.205 1.00 0.00 C ATOM 1643 C LYS A 104 12.903 9.165 -16.484 1.00 0.00 C ATOM 1644 O LYS A 104 13.708 9.031 -17.383 1.00 0.00 O ATOM 1645 CB LYS A 104 13.239 11.424 -15.482 1.00 0.00 C ATOM 1646 CG LYS A 104 13.649 12.566 -16.408 1.00 0.00 C ATOM 1647 CD LYS A 104 13.373 13.906 -15.723 1.00 0.00 C ATOM 1648 CE LYS A 104 11.938 14.345 -16.022 1.00 0.00 C ATOM 1649 NZ LYS A 104 11.714 15.714 -15.479 1.00 0.00 N ATOM 0 H LYS A 104 11.234 9.947 -14.418 1.00 0.00 H new ATOM 0 HA LYS A 104 11.944 10.972 -17.148 1.00 0.00 H new ATOM 0 HB2 LYS A 104 12.790 11.822 -14.572 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.117 10.853 -15.180 1.00 0.00 H new ATOM 0 HG2 LYS A 104 14.707 12.484 -16.656 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.096 12.504 -17.345 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.520 13.814 -14.647 1.00 0.00 H new ATOM 0 HD3 LYS A 104 14.077 14.659 -16.077 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.760 14.335 -17.097 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.232 13.645 -15.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.739 16.013 -15.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.868 15.709 -14.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.379 16.377 -15.925 1.00 0.00 H new ATOM 1663 N ALA A 105 12.572 8.162 -15.716 1.00 0.00 N ATOM 1664 CA ALA A 105 13.188 6.826 -15.938 1.00 0.00 C ATOM 1665 C ALA A 105 14.690 7.001 -16.156 1.00 0.00 C ATOM 1666 O ALA A 105 15.235 6.592 -17.162 1.00 0.00 O ATOM 1667 CB ALA A 105 12.563 6.172 -17.172 1.00 0.00 C ATOM 0 H ALA A 105 11.904 8.211 -14.947 1.00 0.00 H new ATOM 0 HA ALA A 105 13.014 6.191 -15.070 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.015 5.193 -17.334 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.490 6.055 -17.018 1.00 0.00 H new ATOM 0 HB3 ALA A 105 12.738 6.801 -18.045 1.00 0.00 H new ATOM 1673 N THR A 106 15.360 7.619 -15.221 1.00 0.00 N ATOM 1674 CA THR A 106 16.828 7.837 -15.364 1.00 0.00 C ATOM 1675 C THR A 106 17.485 6.584 -15.947 1.00 0.00 C ATOM 1676 O THR A 106 18.502 6.656 -16.606 1.00 0.00 O ATOM 1677 CB THR A 106 17.429 8.139 -13.989 1.00 0.00 C ATOM 1678 OG1 THR A 106 16.677 7.470 -12.988 1.00 0.00 O ATOM 1679 CG2 THR A 106 17.396 9.647 -13.734 1.00 0.00 C ATOM 0 H THR A 106 14.952 7.984 -14.360 1.00 0.00 H new ATOM 0 HA THR A 106 17.006 8.677 -16.035 1.00 0.00 H new ATOM 0 HB THR A 106 18.462 7.792 -13.960 1.00 0.00 H new ATOM 0 HG1 THR A 106 16.351 6.615 -13.340 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.824 9.860 -12.755 1.00 0.00 H new ATOM 0 HG22 THR A 106 17.975 10.159 -14.502 1.00 0.00 H new ATOM 0 HG23 THR A 106 16.365 9.998 -13.763 1.00 0.00 H new ATOM 1687 N GLY A 107 16.912 5.435 -15.710 1.00 0.00 N ATOM 1688 CA GLY A 107 17.507 4.182 -16.255 1.00 0.00 C ATOM 1689 C GLY A 107 17.773 3.202 -15.112 1.00 0.00 C ATOM 1690 O GLY A 107 17.671 2.002 -15.274 1.00 0.00 O ATOM 0 H GLY A 107 16.060 5.310 -15.164 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.831 3.733 -16.983 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.436 4.406 -16.779 1.00 0.00 H new ATOM 1694 N TRP A 108 18.113 3.702 -13.956 1.00 0.00 N ATOM 1695 CA TRP A 108 18.385 2.796 -12.806 1.00 0.00 C ATOM 1696 C TRP A 108 17.273 1.752 -12.703 1.00 0.00 C ATOM 1697 O TRP A 108 16.102 2.069 -12.760 1.00 0.00 O ATOM 1698 CB TRP A 108 18.435 3.610 -11.512 1.00 0.00 C ATOM 1699 CG TRP A 108 19.160 2.833 -10.461 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.501 2.832 -10.284 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.612 1.946 -9.439 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.813 2.003 -9.221 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.683 1.435 -8.668 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.306 1.539 -9.108 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.467 0.552 -7.609 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.085 0.652 -8.044 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.164 0.159 -7.295 1.00 0.00 C ATOM 0 H TRP A 108 18.214 4.698 -13.759 1.00 0.00 H new ATOM 0 HA TRP A 108 19.342 2.297 -12.960 1.00 0.00 H new ATOM 0 HB2 TRP A 108 18.938 4.561 -11.688 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.424 3.841 -11.176 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.213 3.388 -10.876 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.762 1.833 -8.887 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.468 1.912 -9.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.302 0.175 -7.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.078 0.347 -7.800 1.00 0.00 H new ATOM 0 HH2 TRP A 108 17.987 -0.523 -6.477 1.00 0.00 H new ATOM 1718 N SER A 109 17.631 0.508 -12.550 1.00 0.00 N ATOM 1719 CA SER A 109 16.598 -0.559 -12.440 1.00 0.00 C ATOM 1720 C SER A 109 17.173 -1.732 -11.643 1.00 0.00 C ATOM 1721 O SER A 109 17.897 -2.554 -12.167 1.00 0.00 O ATOM 1722 CB SER A 109 16.206 -1.036 -13.839 1.00 0.00 C ATOM 1723 OG SER A 109 17.334 -1.638 -14.462 1.00 0.00 O ATOM 0 H SER A 109 18.597 0.183 -12.496 1.00 0.00 H new ATOM 0 HA SER A 109 15.717 -0.167 -11.933 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.386 -1.751 -13.776 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.851 -0.196 -14.436 1.00 0.00 H new ATOM 0 HG SER A 109 17.814 -2.188 -13.808 1.00 0.00 H new ATOM 1729 N ALA A 110 16.863 -1.813 -10.378 1.00 0.00 N ATOM 1730 CA ALA A 110 17.400 -2.930 -9.552 1.00 0.00 C ATOM 1731 C ALA A 110 16.440 -4.119 -9.612 1.00 0.00 C ATOM 1732 O ALA A 110 15.249 -3.959 -9.790 1.00 0.00 O ATOM 1733 CB ALA A 110 17.551 -2.469 -8.101 1.00 0.00 C ATOM 0 H ALA A 110 16.262 -1.155 -9.882 1.00 0.00 H new ATOM 0 HA ALA A 110 18.374 -3.230 -9.940 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.944 -3.288 -7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.238 -1.624 -8.057 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.579 -2.167 -7.712 1.00 0.00 H new ATOM 1739 N PHE A 111 16.950 -5.310 -9.467 1.00 0.00 N ATOM 1740 CA PHE A 111 16.069 -6.512 -9.521 1.00 0.00 C ATOM 1741 C PHE A 111 16.146 -7.280 -8.203 1.00 0.00 C ATOM 1742 O PHE A 111 17.204 -7.461 -7.640 1.00 0.00 O ATOM 1743 CB PHE A 111 16.521 -7.432 -10.659 1.00 0.00 C ATOM 1744 CG PHE A 111 16.624 -6.648 -11.942 1.00 0.00 C ATOM 1745 CD1 PHE A 111 17.755 -5.862 -12.189 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.592 -6.710 -12.885 1.00 0.00 C ATOM 1747 CE1 PHE A 111 17.856 -5.139 -13.381 1.00 0.00 C ATOM 1748 CE2 PHE A 111 15.693 -5.985 -14.077 1.00 0.00 C ATOM 1749 CZ PHE A 111 16.825 -5.200 -14.325 1.00 0.00 C ATOM 0 H PHE A 111 17.939 -5.504 -9.313 1.00 0.00 H new ATOM 0 HA PHE A 111 15.043 -6.186 -9.692 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.486 -7.878 -10.417 1.00 0.00 H new ATOM 0 HB3 PHE A 111 15.812 -8.251 -10.779 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.549 -5.814 -11.459 1.00 0.00 H new ATOM 0 HD2 PHE A 111 14.719 -7.316 -12.693 1.00 0.00 H new ATOM 0 HE1 PHE A 111 18.729 -4.534 -13.573 1.00 0.00 H new ATOM 0 HE2 PHE A 111 14.897 -6.031 -14.806 1.00 0.00 H new ATOM 0 HZ PHE A 111 16.903 -4.641 -15.246 1.00 0.00 H new ATOM 1759 N TYR A 112 15.031 -7.744 -7.713 1.00 0.00 N ATOM 1760 CA TYR A 112 15.043 -8.510 -6.437 1.00 0.00 C ATOM 1761 C TYR A 112 15.245 -9.994 -6.741 1.00 0.00 C ATOM 1762 O TYR A 112 14.335 -10.675 -7.171 1.00 0.00 O ATOM 1763 CB TYR A 112 13.708 -8.321 -5.715 1.00 0.00 C ATOM 1764 CG TYR A 112 13.828 -8.822 -4.297 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.960 -8.504 -3.536 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.808 -9.601 -3.741 1.00 0.00 C ATOM 1767 CE1 TYR A 112 15.070 -8.965 -2.219 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.918 -10.063 -2.425 1.00 0.00 C ATOM 1769 CZ TYR A 112 14.050 -9.745 -1.664 1.00 0.00 C ATOM 1770 OH TYR A 112 14.158 -10.199 -0.365 1.00 0.00 O ATOM 0 H TYR A 112 14.113 -7.626 -8.141 1.00 0.00 H new ATOM 0 HA TYR A 112 15.854 -8.150 -5.804 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.427 -7.268 -5.717 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.920 -8.862 -6.238 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.748 -7.903 -3.965 1.00 0.00 H new ATOM 0 HD2 TYR A 112 11.935 -9.846 -4.328 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.942 -8.719 -1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.130 -10.665 -1.996 1.00 0.00 H new ATOM 0 HH TYR A 112 13.364 -10.725 -0.135 1.00 0.00 H new ATOM 1780 N VAL A 113 16.424 -10.507 -6.516 1.00 0.00 N ATOM 1781 CA VAL A 113 16.661 -11.944 -6.787 1.00 0.00 C ATOM 1782 C VAL A 113 16.337 -12.731 -5.517 1.00 0.00 C ATOM 1783 O VAL A 113 15.444 -12.375 -4.782 1.00 0.00 O ATOM 1784 CB VAL A 113 18.121 -12.161 -7.200 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.231 -13.449 -8.017 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.596 -10.984 -8.061 1.00 0.00 C ATOM 0 H VAL A 113 17.228 -9.991 -6.157 1.00 0.00 H new ATOM 0 HA VAL A 113 16.025 -12.288 -7.603 1.00 0.00 H new ATOM 0 HB VAL A 113 18.739 -12.233 -6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.269 -13.605 -8.312 1.00 0.00 H new ATOM 0 HG12 VAL A 113 17.894 -14.292 -7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.609 -13.369 -8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.634 -11.142 -8.352 1.00 0.00 H new ATOM 0 HG22 VAL A 113 17.975 -10.913 -8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.516 -10.059 -7.489 1.00 0.00 H new ATOM 1796 N ASP A 114 17.066 -13.768 -5.228 1.00 0.00 N ATOM 1797 CA ASP A 114 16.786 -14.545 -3.986 1.00 0.00 C ATOM 1798 C ASP A 114 17.163 -13.658 -2.821 1.00 0.00 C ATOM 1799 O ASP A 114 18.287 -13.676 -2.360 1.00 0.00 O ATOM 1800 CB ASP A 114 17.633 -15.820 -3.965 1.00 0.00 C ATOM 1801 CG ASP A 114 16.846 -16.945 -3.290 1.00 0.00 C ATOM 1802 OD1 ASP A 114 15.915 -17.440 -3.902 1.00 0.00 O ATOM 1803 OD2 ASP A 114 17.190 -17.292 -2.171 1.00 0.00 O ATOM 0 H ASP A 114 17.842 -14.113 -5.793 1.00 0.00 H new ATOM 0 HA ASP A 114 15.737 -14.836 -3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.900 -16.108 -4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.565 -15.641 -3.429 1.00 0.00 H new ATOM 1808 N GLY A 115 16.261 -12.820 -2.380 1.00 0.00 N ATOM 1809 CA GLY A 115 16.632 -11.877 -1.300 1.00 0.00 C ATOM 1810 C GLY A 115 17.934 -11.231 -1.758 1.00 0.00 C ATOM 1811 O GLY A 115 18.772 -10.840 -0.971 1.00 0.00 O ATOM 0 H GLY A 115 15.301 -12.752 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.854 -11.129 -1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.764 -12.398 -0.352 1.00 0.00 H new ATOM 1815 N LYS A 116 18.119 -11.175 -3.061 1.00 0.00 N ATOM 1816 CA LYS A 116 19.382 -10.620 -3.610 1.00 0.00 C ATOM 1817 C LYS A 116 19.108 -9.454 -4.561 1.00 0.00 C ATOM 1818 O LYS A 116 19.332 -9.557 -5.749 1.00 0.00 O ATOM 1819 CB LYS A 116 20.114 -11.723 -4.378 1.00 0.00 C ATOM 1820 CG LYS A 116 21.264 -12.264 -3.527 1.00 0.00 C ATOM 1821 CD LYS A 116 20.930 -13.682 -3.060 1.00 0.00 C ATOM 1822 CE LYS A 116 20.749 -13.688 -1.541 1.00 0.00 C ATOM 1823 NZ LYS A 116 22.036 -13.319 -0.887 1.00 0.00 N ATOM 0 H LYS A 116 17.445 -11.492 -3.758 1.00 0.00 H new ATOM 0 HA LYS A 116 19.988 -10.255 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.422 -12.528 -4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.498 -11.331 -5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.188 -12.268 -4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 116 21.430 -11.616 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 116 20.020 -14.032 -3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 116 21.728 -14.368 -3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 116 19.968 -12.984 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 116 20.428 -14.674 -1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 22.115 -13.810 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 22.829 -13.598 -1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 22.064 -12.291 -0.731 1.00 0.00 H new ATOM 1837 N TRP A 117 18.650 -8.337 -4.064 1.00 0.00 N ATOM 1838 CA TRP A 117 18.404 -7.189 -4.978 1.00 0.00 C ATOM 1839 C TRP A 117 19.632 -7.008 -5.874 1.00 0.00 C ATOM 1840 O TRP A 117 20.697 -7.517 -5.587 1.00 0.00 O ATOM 1841 CB TRP A 117 18.173 -5.915 -4.166 1.00 0.00 C ATOM 1842 CG TRP A 117 16.721 -5.792 -3.831 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.202 -5.935 -2.590 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.597 -5.505 -4.716 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.834 -5.755 -2.654 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.411 -5.485 -3.941 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.485 -5.260 -6.100 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.165 -5.232 -4.516 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.233 -5.005 -6.677 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.075 -4.990 -5.887 1.00 0.00 C ATOM 0 H TRP A 117 18.439 -8.172 -3.080 1.00 0.00 H new ATOM 0 HA TRP A 117 17.520 -7.384 -5.585 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.767 -5.941 -3.252 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.501 -5.045 -4.734 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.765 -6.154 -1.695 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.211 -5.814 -1.848 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.369 -5.269 -6.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.276 -5.224 -3.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.160 -4.819 -7.738 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.115 -4.791 -6.339 1.00 0.00 H new ATOM 1861 N VAL A 118 19.499 -6.294 -6.956 1.00 0.00 N ATOM 1862 CA VAL A 118 20.668 -6.094 -7.861 1.00 0.00 C ATOM 1863 C VAL A 118 20.543 -4.741 -8.561 1.00 0.00 C ATOM 1864 O VAL A 118 19.551 -4.053 -8.428 1.00 0.00 O ATOM 1865 CB VAL A 118 20.717 -7.211 -8.914 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.724 -8.275 -8.491 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.340 -7.862 -9.053 1.00 0.00 C ATOM 0 H VAL A 118 18.635 -5.841 -7.254 1.00 0.00 H new ATOM 0 HA VAL A 118 21.584 -6.120 -7.271 1.00 0.00 H new ATOM 0 HB VAL A 118 21.015 -6.777 -9.869 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.755 -9.065 -9.241 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.712 -7.824 -8.398 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.426 -8.697 -7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.385 -8.653 -9.802 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.040 -8.286 -8.095 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.612 -7.111 -9.361 1.00 0.00 H new ATOM 1877 N GLU A 119 21.541 -4.353 -9.307 1.00 0.00 N ATOM 1878 CA GLU A 119 21.479 -3.044 -10.015 1.00 0.00 C ATOM 1879 C GLU A 119 21.645 -3.272 -11.519 1.00 0.00 C ATOM 1880 O GLU A 119 22.568 -3.930 -11.958 1.00 0.00 O ATOM 1881 CB GLU A 119 22.602 -2.136 -9.508 1.00 0.00 C ATOM 1882 CG GLU A 119 22.309 -1.718 -8.067 1.00 0.00 C ATOM 1883 CD GLU A 119 23.622 -1.392 -7.352 1.00 0.00 C ATOM 1884 OE1 GLU A 119 24.666 -1.614 -7.943 1.00 0.00 O ATOM 1885 OE2 GLU A 119 23.561 -0.926 -6.227 1.00 0.00 O ATOM 0 H GLU A 119 22.397 -4.887 -9.457 1.00 0.00 H new ATOM 0 HA GLU A 119 20.516 -2.571 -9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.557 -2.658 -9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.686 -1.254 -10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 119 21.651 -0.849 -8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.787 -2.519 -7.544 1.00 0.00 H new ATOM 1892 N GLY A 120 20.761 -2.733 -12.313 1.00 0.00 N ATOM 1893 CA GLY A 120 20.870 -2.921 -13.787 1.00 0.00 C ATOM 1894 C GLY A 120 21.321 -1.613 -14.439 1.00 0.00 C ATOM 1895 O GLY A 120 21.853 -1.605 -15.531 1.00 0.00 O ATOM 0 H GLY A 120 19.968 -2.171 -12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.582 -3.715 -14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 120 19.908 -3.231 -14.196 1.00 0.00 H new