USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 914 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: B 131 CYS SG : rot -150:sc= -0.235 USER MOD Set 1.2: B 135 MET CE :methyl 176:sc= -2.96! (180deg=-3.18!) USER MOD Set 2.1: B 127 ASN : amide:sc= 0.409 K(o=-3,f=-3.8) USER MOD Set 2.2: B 129 LYS NZ :NH3+ 173:sc= 0.717 (180deg=0) USER MOD Set 2.3: B 130 ASN : amide:sc= -2.93! C(o=-3!,f=-7!) USER MOD Set 2.4: B 161 ASN : amide:sc= -1.18 K(o=-3,f=-4.2) USER MOD Set 3.1: A 27 ASN :FLIP amide:sc= 0.555 F(o=-6.1,f=-2.8) USER MOD Set 3.2: A 30 ASN :FLIP amide:sc= -2.92! C(o=-6.1!,f=-2.8!) USER MOD Set 3.3: A 61 ASN : amide:sc= -0.402 K(o=-2.8,f=-7.8!) USER MOD Set 4.1: A 31 CYS SG : rot -160:sc= -0.208 USER MOD Set 4.2: A 35 MET CE :methyl 174:sc= -3.67! (180deg=-3.76!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= -1! (180deg=-1.48!) USER MOD Single : A 23 MET CE :methyl 157:sc= -0.325 (180deg=-1.45) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 88:sc= 0.537 USER MOD Single : A 36 HIS : no HD1:sc= -0.0956 X(o=-0.096,f=0) USER MOD Single : A 37 HIS :FLIP no HE2:sc= 0.063 F(o=-0.66,f=0.063) USER MOD Single : A 39 LYS NZ :NH3+ -107:sc= 0.654 (180deg=-0.0183) USER MOD Single : A 40 ASN : amide:sc= -1.25! C(o=-1.3!,f=-5.7!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.31) USER MOD Single : A 53 THR OG1 : rot 71:sc= 1.18 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.964 K(o=0.96,f=-3.7!) USER MOD Single : A 71 THR OG1 : rot 68:sc= 1.28 USER MOD Single : A 72 SER OG : rot 180:sc= -2! USER MOD Single : B 117 GLN : amide:sc= -0.032 K(o=-0.032,f=-0.95) USER MOD Single : B 122 LYS NZ :NH3+ -126:sc= 0.0101 (180deg=-1.78!) USER MOD Single : B 123 MET CE :methyl 153:sc= -0.406 (180deg=-2.29!) USER MOD Single : B 133 SER OG : rot 84:sc= 0.389 USER MOD Single : B 136 HIS : no HD1:sc= -0.0265 X(o=-0.026,f=0.0005) USER MOD Single : B 137 HIS :FLIP no HE2:sc= 0.254 F(o=-1.3,f=0.25) USER MOD Single : B 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 140 ASN : amide:sc= -3.66! C(o=-3.7!,f=-8.1!) USER MOD Single : B 148 SER OG : rot 180:sc= -1.46 USER MOD Single : B 149 GLN : amide:sc=-0.00074 X(o=-0.00074,f=-0.036) USER MOD Single : B 153 THR OG1 : rot 79:sc= 1.24 USER MOD Single : B 154 SER OG : rot 83:sc= 1.19 USER MOD Single : B 158 ASN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : B 163 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0373) USER MOD Single : B 164 GLN : amide:sc=-0.00485 X(o=-0.0049,f=0) USER MOD Single : B 166 TYR OH : rot 180:sc= 0 USER MOD Single : B 170 HIS : no HE2:sc= 0.645 K(o=0.65,f=-2.1!) USER MOD Single : B 171 THR OG1 : rot 147:sc= 0.453 USER MOD Single : B 172 SER OG : rot 180:sc= -0.101 USER MOD ----------------------------------------------------------------- ATOM 217 N GLY A 15 9.052 2.616 8.762 1.00 0.00 N ATOM 218 CA GLY A 15 7.897 3.153 8.032 1.00 0.00 C ATOM 219 C GLY A 15 7.403 2.236 6.911 1.00 0.00 C ATOM 220 O GLY A 15 6.329 1.637 7.034 1.00 0.00 O ATOM 0 HA2 GLY A 15 7.082 3.326 8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.163 4.121 7.608 1.00 0.00 H new ATOM 224 N PRO A 16 8.163 2.097 5.821 1.00 0.00 N ATOM 225 CA PRO A 16 7.794 1.217 4.704 1.00 0.00 C ATOM 226 C PRO A 16 7.979 -0.318 5.040 1.00 0.00 C ATOM 227 O PRO A 16 7.154 -1.166 4.648 1.00 0.00 O ATOM 228 CB PRO A 16 8.752 1.701 3.585 1.00 0.00 C ATOM 229 CG PRO A 16 9.957 2.149 4.324 1.00 0.00 C ATOM 230 CD PRO A 16 9.433 2.820 5.557 1.00 0.00 C ATOM 0 HA PRO A 16 6.739 1.280 4.436 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.987 0.900 2.884 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.313 2.513 3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.600 1.306 4.577 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.554 2.836 3.725 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.129 2.730 6.391 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.265 3.885 5.396 1.00 0.00 H new ATOM 238 N GLN A 17 9.021 -0.654 5.813 1.00 0.00 N ATOM 239 CA GLN A 17 9.341 -2.065 6.129 1.00 0.00 C ATOM 240 C GLN A 17 8.242 -2.722 6.977 1.00 0.00 C ATOM 241 O GLN A 17 7.707 -3.789 6.638 1.00 0.00 O ATOM 242 CB GLN A 17 10.676 -2.154 6.865 1.00 0.00 C ATOM 243 CG GLN A 17 11.091 -3.575 7.192 1.00 0.00 C ATOM 244 CD GLN A 17 12.380 -3.663 7.970 1.00 0.00 C ATOM 245 OE1 GLN A 17 12.712 -2.778 8.767 1.00 0.00 O ATOM 246 NE2 GLN A 17 13.133 -4.699 7.733 1.00 0.00 N ATOM 0 H GLN A 17 9.658 0.024 6.232 1.00 0.00 H new ATOM 0 HA GLN A 17 9.407 -2.603 5.183 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.450 -1.689 6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.611 -1.581 7.790 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.297 -4.054 7.765 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.197 -4.136 6.264 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.827 -5.410 7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.028 -4.799 8.212 1.00 0.00 H new ATOM 255 N ASP A 18 7.896 -2.060 8.053 1.00 0.00 N ATOM 256 CA ASP A 18 6.870 -2.519 8.977 1.00 0.00 C ATOM 257 C ASP A 18 5.525 -2.491 8.292 1.00 0.00 C ATOM 258 O ASP A 18 4.611 -3.253 8.639 1.00 0.00 O ATOM 259 CB ASP A 18 6.880 -1.696 10.274 1.00 0.00 C ATOM 260 CG ASP A 18 5.818 -2.087 11.263 1.00 0.00 C ATOM 261 OD1 ASP A 18 5.851 -3.224 11.781 1.00 0.00 O ATOM 262 OD2 ASP A 18 4.928 -1.249 11.560 1.00 0.00 O ATOM 0 H ASP A 18 8.321 -1.173 8.322 1.00 0.00 H new ATOM 0 HA ASP A 18 7.082 -3.548 9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.856 -1.798 10.748 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.756 -0.643 10.023 1.00 0.00 H new ATOM 267 N PHE A 19 5.406 -1.596 7.301 1.00 0.00 N ATOM 268 CA PHE A 19 4.184 -1.445 6.542 1.00 0.00 C ATOM 269 C PHE A 19 3.880 -2.746 5.809 1.00 0.00 C ATOM 270 O PHE A 19 2.730 -3.132 5.675 1.00 0.00 O ATOM 271 CB PHE A 19 4.323 -0.300 5.552 1.00 0.00 C ATOM 272 CG PHE A 19 3.029 0.211 5.045 1.00 0.00 C ATOM 273 CD1 PHE A 19 2.135 0.785 5.931 1.00 0.00 C ATOM 274 CD2 PHE A 19 2.696 0.137 3.700 1.00 0.00 C ATOM 275 CE1 PHE A 19 0.936 1.279 5.502 1.00 0.00 C ATOM 276 CE2 PHE A 19 1.487 0.637 3.265 1.00 0.00 C ATOM 277 CZ PHE A 19 0.611 1.210 4.175 1.00 0.00 C ATOM 0 H PHE A 19 6.156 -0.967 7.014 1.00 0.00 H new ATOM 0 HA PHE A 19 3.362 -1.216 7.220 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.864 0.517 6.029 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.928 -0.633 4.708 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.389 0.843 6.979 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.382 -0.311 2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.248 1.722 6.207 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.223 0.583 2.219 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.335 1.605 3.833 1.00 0.00 H new ATOM 287 N LEU A 20 4.927 -3.413 5.359 1.00 0.00 N ATOM 288 CA LEU A 20 4.793 -4.717 4.732 1.00 0.00 C ATOM 289 C LEU A 20 4.396 -5.764 5.737 1.00 0.00 C ATOM 290 O LEU A 20 3.418 -6.458 5.552 1.00 0.00 O ATOM 291 CB LEU A 20 6.093 -5.161 4.088 1.00 0.00 C ATOM 292 CG LEU A 20 6.598 -4.333 2.942 1.00 0.00 C ATOM 293 CD1 LEU A 20 7.909 -4.900 2.445 1.00 0.00 C ATOM 294 CD2 LEU A 20 5.574 -4.297 1.826 1.00 0.00 C ATOM 0 H LEU A 20 5.886 -3.071 5.416 1.00 0.00 H new ATOM 0 HA LEU A 20 4.020 -4.614 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.864 -5.181 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.966 -6.185 3.737 1.00 0.00 H new ATOM 0 HG LEU A 20 6.763 -3.311 3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.274 -4.298 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.641 -4.885 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.758 -5.926 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.955 -3.693 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.383 -5.311 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.646 -3.861 2.197 1.00 0.00 H new ATOM 306 N LEU A 21 5.145 -5.846 6.828 1.00 0.00 N ATOM 307 CA LEU A 21 4.954 -6.896 7.849 1.00 0.00 C ATOM 308 C LEU A 21 3.545 -6.955 8.439 1.00 0.00 C ATOM 309 O LEU A 21 3.130 -7.993 8.970 1.00 0.00 O ATOM 310 CB LEU A 21 5.981 -6.766 8.962 1.00 0.00 C ATOM 311 CG LEU A 21 7.433 -6.960 8.545 1.00 0.00 C ATOM 312 CD1 LEU A 21 8.363 -6.691 9.709 1.00 0.00 C ATOM 313 CD2 LEU A 21 7.648 -8.369 8.038 1.00 0.00 C ATOM 0 H LEU A 21 5.901 -5.196 7.040 1.00 0.00 H new ATOM 0 HA LEU A 21 5.099 -7.837 7.319 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.880 -5.778 9.411 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.744 -7.495 9.737 1.00 0.00 H new ATOM 0 HG LEU A 21 7.655 -6.253 7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.395 -6.835 9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.229 -5.665 10.052 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.135 -7.379 10.523 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.690 -8.495 7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.406 -9.081 8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.003 -8.548 7.178 1.00 0.00 H new ATOM 325 N LYS A 22 2.808 -5.882 8.323 1.00 0.00 N ATOM 326 CA LYS A 22 1.468 -5.829 8.870 1.00 0.00 C ATOM 327 C LYS A 22 0.419 -6.180 7.837 1.00 0.00 C ATOM 328 O LYS A 22 -0.775 -6.193 8.134 1.00 0.00 O ATOM 329 CB LYS A 22 1.184 -4.474 9.428 1.00 0.00 C ATOM 330 CG LYS A 22 1.248 -3.385 8.406 1.00 0.00 C ATOM 331 CD LYS A 22 0.895 -2.055 8.989 1.00 0.00 C ATOM 332 CE LYS A 22 2.067 -1.396 9.765 1.00 0.00 C ATOM 333 NZ LYS A 22 2.481 -2.121 11.001 1.00 0.00 N ATOM 0 H LYS A 22 3.110 -5.028 7.854 1.00 0.00 H new ATOM 0 HA LYS A 22 1.419 -6.571 9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.194 -4.477 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.899 -4.259 10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.252 -3.342 7.983 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.567 -3.615 7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.577 -1.387 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.045 -2.174 9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.927 -1.319 9.100 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.780 -0.380 10.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.105 -1.512 11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.638 -2.367 11.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.989 -2.990 10.740 1.00 0.00 H new ATOM 347 N MET A 23 0.843 -6.454 6.640 1.00 0.00 N ATOM 348 CA MET A 23 -0.088 -6.782 5.601 1.00 0.00 C ATOM 349 C MET A 23 -0.435 -8.275 5.705 1.00 0.00 C ATOM 350 O MET A 23 0.427 -9.090 6.084 1.00 0.00 O ATOM 351 CB MET A 23 0.505 -6.502 4.217 1.00 0.00 C ATOM 352 CG MET A 23 0.971 -5.075 3.966 1.00 0.00 C ATOM 353 SD MET A 23 1.562 -4.875 2.269 1.00 0.00 S ATOM 354 CE MET A 23 2.000 -3.145 2.218 1.00 0.00 C ATOM 0 H MET A 23 1.823 -6.457 6.359 1.00 0.00 H new ATOM 0 HA MET A 23 -0.979 -6.166 5.723 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.351 -7.172 4.064 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.242 -6.756 3.465 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.150 -4.383 4.153 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.768 -4.821 4.665 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.727 -2.977 1.424 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.108 -2.549 2.025 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.433 -2.851 3.174 1.00 0.00 H new ATOM 364 N PRO A 24 -1.689 -8.664 5.439 1.00 0.00 N ATOM 365 CA PRO A 24 -2.073 -10.072 5.448 1.00 0.00 C ATOM 366 C PRO A 24 -1.402 -10.816 4.296 1.00 0.00 C ATOM 367 O PRO A 24 -1.521 -10.426 3.144 1.00 0.00 O ATOM 368 CB PRO A 24 -3.591 -10.054 5.264 1.00 0.00 C ATOM 369 CG PRO A 24 -3.889 -8.731 4.645 1.00 0.00 C ATOM 370 CD PRO A 24 -2.825 -7.781 5.127 1.00 0.00 C ATOM 0 HA PRO A 24 -1.772 -10.580 6.364 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.921 -10.872 4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.106 -10.168 6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.881 -8.802 3.557 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.880 -8.382 4.935 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.565 -7.048 4.363 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.153 -7.224 6.005 1.00 0.00 H new ATOM 378 N GLY A 25 -0.689 -11.856 4.620 1.00 0.00 N ATOM 379 CA GLY A 25 0.032 -12.608 3.628 1.00 0.00 C ATOM 380 C GLY A 25 1.517 -12.260 3.674 1.00 0.00 C ATOM 381 O GLY A 25 2.310 -12.684 2.830 1.00 0.00 O ATOM 0 H GLY A 25 -0.590 -12.207 5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.104 -13.675 3.802 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.368 -12.393 2.637 1.00 0.00 H new ATOM 385 N VAL A 26 1.898 -11.477 4.652 1.00 0.00 N ATOM 386 CA VAL A 26 3.270 -11.107 4.805 1.00 0.00 C ATOM 387 C VAL A 26 3.864 -11.699 6.077 1.00 0.00 C ATOM 388 O VAL A 26 3.231 -11.701 7.143 1.00 0.00 O ATOM 389 CB VAL A 26 3.490 -9.567 4.752 1.00 0.00 C ATOM 390 CG1 VAL A 26 4.958 -9.209 4.985 1.00 0.00 C ATOM 391 CG2 VAL A 26 3.037 -9.022 3.407 1.00 0.00 C ATOM 0 H VAL A 26 1.269 -11.086 5.353 1.00 0.00 H new ATOM 0 HA VAL A 26 3.798 -11.528 3.950 1.00 0.00 H new ATOM 0 HB VAL A 26 2.897 -9.115 5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.080 -8.127 4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.270 -9.571 5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.573 -9.674 4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.195 -7.944 3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.613 -9.494 2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.978 -9.237 3.265 1.00 0.00 H new ATOM 401 N ASN A 27 5.053 -12.235 5.929 1.00 0.00 N ATOM 402 CA ASN A 27 5.847 -12.772 7.007 1.00 0.00 C ATOM 403 C ASN A 27 7.200 -12.191 6.794 1.00 0.00 C ATOM 404 O ASN A 27 7.501 -11.791 5.664 1.00 0.00 O ATOM 405 CB ASN A 27 5.969 -14.304 6.944 1.00 0.00 C ATOM 406 CG ASN A 27 4.651 -15.037 6.908 1.00 0.00 C ATOM 407 OD1 ASN A 27 4.235 -15.379 5.734 1.00 0.00 O flip ATOM 408 ND2 ASN A 27 4.054 -15.347 7.934 1.00 0.00 N flip ATOM 0 H ASN A 27 5.510 -12.311 5.020 1.00 0.00 H new ATOM 0 HA ASN A 27 5.394 -12.531 7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.544 -14.574 6.058 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.537 -14.646 7.809 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.416 -15.057 8.842 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.195 -15.895 7.879 1.00 0.00 H new ATOM 415 N ALA A 28 8.023 -12.165 7.810 1.00 0.00 N ATOM 416 CA ALA A 28 9.346 -11.561 7.729 1.00 0.00 C ATOM 417 C ALA A 28 10.206 -12.196 6.645 1.00 0.00 C ATOM 418 O ALA A 28 10.952 -11.498 5.949 1.00 0.00 O ATOM 419 CB ALA A 28 10.042 -11.607 9.081 1.00 0.00 C ATOM 0 H ALA A 28 7.803 -12.561 8.724 1.00 0.00 H new ATOM 0 HA ALA A 28 9.208 -10.517 7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.028 -11.151 8.998 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.449 -11.060 9.814 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.147 -12.644 9.401 1.00 0.00 H new ATOM 425 N LYS A 29 10.028 -13.486 6.435 1.00 0.00 N ATOM 426 CA LYS A 29 10.838 -14.206 5.459 1.00 0.00 C ATOM 427 C LYS A 29 10.505 -13.743 4.038 1.00 0.00 C ATOM 428 O LYS A 29 11.381 -13.417 3.223 1.00 0.00 O ATOM 429 CB LYS A 29 10.657 -15.731 5.608 1.00 0.00 C ATOM 430 CG LYS A 29 9.228 -16.237 5.415 1.00 0.00 C ATOM 431 CD LYS A 29 9.162 -17.747 5.462 1.00 0.00 C ATOM 432 CE LYS A 29 7.735 -18.231 5.314 1.00 0.00 C ATOM 433 NZ LYS A 29 7.646 -19.702 5.268 1.00 0.00 N ATOM 0 H LYS A 29 9.337 -14.057 6.921 1.00 0.00 H new ATOM 0 HA LYS A 29 11.887 -13.979 5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.303 -16.230 4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.000 -16.027 6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.586 -15.820 6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.843 -15.885 4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.777 -18.167 4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.575 -18.104 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.139 -17.859 6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.305 -17.814 4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.651 -19.987 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.192 -20.058 4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.032 -20.101 6.148 1.00 0.00 H new ATOM 447 N ASN A 30 9.249 -13.606 3.776 1.00 0.00 N ATOM 448 CA ASN A 30 8.840 -13.247 2.464 1.00 0.00 C ATOM 449 C ASN A 30 8.791 -11.760 2.292 1.00 0.00 C ATOM 450 O ASN A 30 8.668 -11.280 1.202 1.00 0.00 O ATOM 451 CB ASN A 30 7.549 -13.937 2.030 1.00 0.00 C ATOM 452 CG ASN A 30 6.349 -13.733 2.943 1.00 0.00 C ATOM 453 OD1 ASN A 30 5.612 -12.678 2.749 1.00 0.00 O flip ATOM 454 ND2 ASN A 30 6.109 -14.521 3.838 1.00 0.00 N flip ATOM 0 H ASN A 30 8.494 -13.736 4.449 1.00 0.00 H new ATOM 0 HA ASN A 30 9.605 -13.621 1.784 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.287 -13.582 1.033 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.741 -15.007 1.948 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.702 -15.340 3.969 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.314 -14.362 4.458 1.00 0.00 H new ATOM 461 N CYS A 31 8.898 -11.041 3.385 1.00 0.00 N ATOM 462 CA CYS A 31 8.973 -9.593 3.365 1.00 0.00 C ATOM 463 C CYS A 31 10.323 -9.164 2.865 1.00 0.00 C ATOM 464 O CYS A 31 10.420 -8.263 2.063 1.00 0.00 O ATOM 465 CB CYS A 31 8.755 -9.015 4.751 1.00 0.00 C ATOM 466 SG CYS A 31 8.907 -7.226 4.863 1.00 0.00 S ATOM 0 H CYS A 31 8.936 -11.444 4.321 1.00 0.00 H new ATOM 0 HA CYS A 31 8.190 -9.223 2.703 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.762 -9.302 5.096 1.00 0.00 H new ATOM 0 HB3 CYS A 31 9.473 -9.469 5.434 1.00 0.00 H new ATOM 0 HG CYS A 31 9.123 -6.885 6.099 1.00 0.00 H new ATOM 472 N ARG A 32 11.365 -9.817 3.347 1.00 0.00 N ATOM 473 CA ARG A 32 12.717 -9.491 2.933 1.00 0.00 C ATOM 474 C ARG A 32 12.914 -9.860 1.480 1.00 0.00 C ATOM 475 O ARG A 32 13.505 -9.105 0.697 1.00 0.00 O ATOM 476 CB ARG A 32 13.741 -10.172 3.848 1.00 0.00 C ATOM 477 CG ARG A 32 13.674 -11.691 3.898 1.00 0.00 C ATOM 478 CD ARG A 32 14.659 -12.344 2.941 1.00 0.00 C ATOM 479 NE ARG A 32 16.034 -11.904 3.174 1.00 0.00 N ATOM 480 CZ ARG A 32 17.019 -12.007 2.272 1.00 0.00 C ATOM 481 NH1 ARG A 32 16.796 -12.598 1.101 1.00 0.00 N ATOM 482 NH2 ARG A 32 18.227 -11.538 2.543 1.00 0.00 N ATOM 0 H ARG A 32 11.301 -10.576 4.025 1.00 0.00 H new ATOM 0 HA ARG A 32 12.874 -8.416 3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 32 14.740 -9.881 3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.609 -9.787 4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.880 -12.028 4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.663 -12.016 3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.603 -13.427 3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.374 -12.111 1.915 1.00 0.00 H new ATOM 0 HE ARG A 32 16.257 -11.493 4.080 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.872 -12.975 0.887 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.549 -12.674 0.417 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.412 -11.095 3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.973 -11.620 1.852 1.00 0.00 H new ATOM 496 N SER A 33 12.384 -11.000 1.111 1.00 0.00 N ATOM 497 CA SER A 33 12.422 -11.440 -0.250 1.00 0.00 C ATOM 498 C SER A 33 11.590 -10.482 -1.134 1.00 0.00 C ATOM 499 O SER A 33 11.991 -10.104 -2.255 1.00 0.00 O ATOM 500 CB SER A 33 11.887 -12.851 -0.282 1.00 0.00 C ATOM 501 OG SER A 33 12.670 -13.683 0.560 1.00 0.00 O ATOM 0 H SER A 33 11.916 -11.644 1.749 1.00 0.00 H new ATOM 0 HA SER A 33 13.438 -11.431 -0.646 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.847 -12.863 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.904 -13.233 -1.303 1.00 0.00 H new ATOM 0 HG SER A 33 12.313 -13.654 1.472 1.00 0.00 H new ATOM 507 N LEU A 34 10.481 -10.025 -0.578 1.00 0.00 N ATOM 508 CA LEU A 34 9.578 -9.109 -1.261 1.00 0.00 C ATOM 509 C LEU A 34 10.278 -7.805 -1.490 1.00 0.00 C ATOM 510 O LEU A 34 10.190 -7.236 -2.523 1.00 0.00 O ATOM 511 CB LEU A 34 8.369 -8.811 -0.407 1.00 0.00 C ATOM 512 CG LEU A 34 7.230 -8.102 -1.113 1.00 0.00 C ATOM 513 CD1 LEU A 34 6.418 -9.056 -1.965 1.00 0.00 C ATOM 514 CD2 LEU A 34 6.384 -7.348 -0.137 1.00 0.00 C ATOM 0 H LEU A 34 10.179 -10.278 0.363 1.00 0.00 H new ATOM 0 HA LEU A 34 9.273 -9.576 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.993 -9.750 -0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.685 -8.201 0.439 1.00 0.00 H new ATOM 0 HG LEU A 34 7.661 -7.372 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.611 -8.510 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.062 -9.507 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.996 -9.838 -1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.574 -6.848 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.966 -8.041 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.995 -6.605 0.376 1.00 0.00 H new ATOM 526 N MET A 35 11.008 -7.402 -0.503 1.00 0.00 N ATOM 527 CA MET A 35 11.715 -6.143 -0.453 1.00 0.00 C ATOM 528 C MET A 35 12.794 -6.107 -1.509 1.00 0.00 C ATOM 529 O MET A 35 13.186 -5.060 -1.986 1.00 0.00 O ATOM 530 CB MET A 35 12.293 -6.020 0.927 1.00 0.00 C ATOM 531 CG MET A 35 12.771 -4.661 1.322 1.00 0.00 C ATOM 532 SD MET A 35 13.221 -4.627 3.060 1.00 0.00 S ATOM 533 CE MET A 35 11.683 -5.184 3.831 1.00 0.00 C ATOM 0 H MET A 35 11.141 -7.963 0.338 1.00 0.00 H new ATOM 0 HA MET A 35 11.048 -5.305 -0.656 1.00 0.00 H new ATOM 0 HB2 MET A 35 11.538 -6.340 1.645 1.00 0.00 H new ATOM 0 HB3 MET A 35 13.128 -6.715 1.012 1.00 0.00 H new ATOM 0 HG2 MET A 35 13.631 -4.381 0.713 1.00 0.00 H new ATOM 0 HG3 MET A 35 11.990 -3.925 1.129 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.840 -5.316 4.902 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.904 -4.440 3.667 1.00 0.00 H new ATOM 0 HE3 MET A 35 11.377 -6.132 3.389 1.00 0.00 H new ATOM 543 N HIS A 36 13.300 -7.270 -1.831 1.00 0.00 N ATOM 544 CA HIS A 36 14.277 -7.389 -2.882 1.00 0.00 C ATOM 545 C HIS A 36 13.603 -7.458 -4.250 1.00 0.00 C ATOM 546 O HIS A 36 14.236 -7.203 -5.263 1.00 0.00 O ATOM 547 CB HIS A 36 15.197 -8.590 -2.667 1.00 0.00 C ATOM 548 CG HIS A 36 16.154 -8.438 -1.511 1.00 0.00 C ATOM 549 ND1 HIS A 36 17.355 -9.102 -1.434 1.00 0.00 N ATOM 550 CD2 HIS A 36 16.066 -7.707 -0.374 1.00 0.00 C ATOM 551 CE1 HIS A 36 17.964 -8.786 -0.311 1.00 0.00 C ATOM 552 NE2 HIS A 36 17.203 -7.941 0.349 1.00 0.00 N ATOM 0 H HIS A 36 13.051 -8.150 -1.379 1.00 0.00 H new ATOM 0 HA HIS A 36 14.897 -6.493 -2.851 1.00 0.00 H new ATOM 0 HB2 HIS A 36 14.585 -9.477 -2.503 1.00 0.00 H new ATOM 0 HB3 HIS A 36 15.770 -8.762 -3.578 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.249 -7.059 -0.091 1.00 0.00 H new ATOM 0 HE1 HIS A 36 18.925 -9.157 0.013 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.425 -7.527 1.254 1.00 0.00 H new ATOM 561 N HIS A 37 12.322 -7.808 -4.276 1.00 0.00 N ATOM 562 CA HIS A 37 11.566 -7.872 -5.540 1.00 0.00 C ATOM 563 C HIS A 37 10.771 -6.600 -5.809 1.00 0.00 C ATOM 564 O HIS A 37 10.429 -6.296 -6.955 1.00 0.00 O ATOM 565 CB HIS A 37 10.606 -9.059 -5.560 1.00 0.00 C ATOM 566 CG HIS A 37 11.223 -10.380 -5.900 1.00 0.00 C ATOM 567 ND1 HIS A 37 11.895 -11.270 -5.145 1.00 0.00 N flip ATOM 568 CD2 HIS A 37 11.117 -10.947 -7.148 1.00 0.00 C flip ATOM 569 CE1 HIS A 37 12.175 -12.348 -5.939 1.00 0.00 C flip ATOM 570 NE2 HIS A 37 11.696 -12.129 -7.144 1.00 0.00 N flip ATOM 0 H HIS A 37 11.780 -8.052 -3.447 1.00 0.00 H new ATOM 0 HA HIS A 37 12.314 -7.990 -6.324 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.134 -9.139 -4.581 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.814 -8.851 -6.279 1.00 0.00 H new ATOM 0 HD1 HIS A 37 12.148 -11.160 -4.163 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.633 -10.493 -8.000 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.704 -13.236 -5.627 1.00 0.00 H new ATOM 579 N VAL A 38 10.507 -5.865 -4.777 1.00 0.00 N ATOM 580 CA VAL A 38 9.637 -4.712 -4.836 1.00 0.00 C ATOM 581 C VAL A 38 10.396 -3.451 -4.425 1.00 0.00 C ATOM 582 O VAL A 38 11.216 -3.485 -3.529 1.00 0.00 O ATOM 583 CB VAL A 38 8.400 -4.908 -3.879 1.00 0.00 C ATOM 584 CG1 VAL A 38 7.461 -3.728 -3.910 1.00 0.00 C ATOM 585 CG2 VAL A 38 7.623 -6.161 -4.238 1.00 0.00 C ATOM 0 H VAL A 38 10.891 -6.044 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 38 9.286 -4.604 -5.862 1.00 0.00 H new ATOM 0 HB VAL A 38 8.807 -5.002 -2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.625 -3.910 -3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.993 -2.831 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.085 -3.589 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.776 -6.270 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.261 -6.083 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.274 -7.031 -4.148 1.00 0.00 H new ATOM 595 N LYS A 39 10.125 -2.366 -5.119 1.00 0.00 N ATOM 596 CA LYS A 39 10.672 -1.060 -4.789 1.00 0.00 C ATOM 597 C LYS A 39 10.016 -0.580 -3.509 1.00 0.00 C ATOM 598 O LYS A 39 10.671 -0.393 -2.485 1.00 0.00 O ATOM 599 CB LYS A 39 10.353 -0.117 -5.945 1.00 0.00 C ATOM 600 CG LYS A 39 10.736 1.345 -5.771 1.00 0.00 C ATOM 601 CD LYS A 39 10.361 2.145 -7.022 1.00 0.00 C ATOM 602 CE LYS A 39 8.852 2.199 -7.232 1.00 0.00 C ATOM 603 NZ LYS A 39 8.470 2.755 -8.543 1.00 0.00 N ATOM 0 H LYS A 39 9.514 -2.362 -5.936 1.00 0.00 H new ATOM 0 HA LYS A 39 11.751 -1.099 -4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.853 -0.494 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.281 -0.166 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.229 1.760 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.807 1.428 -5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.752 3.159 -6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.833 1.695 -7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.442 1.194 -7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.403 2.802 -6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.083 3.712 -8.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.307 2.800 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.750 2.146 -8.982 1.00 0.00 H new ATOM 617 N ASN A 40 8.714 -0.407 -3.584 1.00 0.00 N ATOM 618 CA ASN A 40 7.900 -0.037 -2.480 1.00 0.00 C ATOM 619 C ASN A 40 6.463 -0.290 -2.908 1.00 0.00 C ATOM 620 O ASN A 40 6.261 -0.754 -4.045 1.00 0.00 O ATOM 621 CB ASN A 40 8.140 1.434 -2.105 1.00 0.00 C ATOM 622 CG ASN A 40 7.386 1.882 -0.881 1.00 0.00 C ATOM 623 OD1 ASN A 40 7.090 1.102 0.016 1.00 0.00 O ATOM 624 ND2 ASN A 40 7.068 3.109 -0.847 1.00 0.00 N ATOM 0 H ASN A 40 8.190 -0.528 -4.451 1.00 0.00 H new ATOM 0 HA ASN A 40 8.136 -0.618 -1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.206 1.587 -1.939 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.854 2.065 -2.947 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.547 3.479 -0.052 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.334 3.726 -1.614 1.00 0.00 H new ATOM 631 N ILE A 41 5.515 0.009 -2.018 1.00 0.00 N ATOM 632 CA ILE A 41 4.046 -0.109 -2.161 1.00 0.00 C ATOM 633 C ILE A 41 3.552 -0.193 -3.618 1.00 0.00 C ATOM 634 O ILE A 41 2.857 -1.141 -3.980 1.00 0.00 O ATOM 635 CB ILE A 41 3.396 1.128 -1.512 1.00 0.00 C ATOM 636 CG1 ILE A 41 3.730 1.191 -0.018 1.00 0.00 C ATOM 637 CG2 ILE A 41 1.871 1.153 -1.732 1.00 0.00 C ATOM 638 CD1 ILE A 41 3.178 2.409 0.678 1.00 0.00 C ATOM 0 H ILE A 41 5.767 0.371 -1.098 1.00 0.00 H new ATOM 0 HA ILE A 41 3.764 -1.044 -1.678 1.00 0.00 H new ATOM 0 HB ILE A 41 3.810 2.011 -1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.340 0.297 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.813 1.174 0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.450 2.040 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.658 1.175 -2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.425 0.261 -1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.456 2.383 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.587 3.308 0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.092 2.418 0.589 1.00 0.00 H new ATOM 650 N ALA A 42 3.930 0.798 -4.440 1.00 0.00 N ATOM 651 CA ALA A 42 3.499 0.861 -5.848 1.00 0.00 C ATOM 652 C ALA A 42 3.755 -0.431 -6.624 1.00 0.00 C ATOM 653 O ALA A 42 2.841 -0.970 -7.237 1.00 0.00 O ATOM 654 CB ALA A 42 4.137 2.036 -6.557 1.00 0.00 C ATOM 0 H ALA A 42 4.534 1.569 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 42 2.418 0.998 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.803 2.060 -7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.847 2.962 -6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.222 1.933 -6.528 1.00 0.00 H new ATOM 660 N GLU A 43 4.965 -0.950 -6.541 1.00 0.00 N ATOM 661 CA GLU A 43 5.334 -2.152 -7.283 1.00 0.00 C ATOM 662 C GLU A 43 4.671 -3.350 -6.668 1.00 0.00 C ATOM 663 O GLU A 43 4.317 -4.271 -7.359 1.00 0.00 O ATOM 664 CB GLU A 43 6.840 -2.349 -7.287 1.00 0.00 C ATOM 665 CG GLU A 43 7.648 -1.158 -7.732 1.00 0.00 C ATOM 666 CD GLU A 43 7.183 -0.538 -9.008 1.00 0.00 C ATOM 667 OE1 GLU A 43 7.413 -1.111 -10.081 1.00 0.00 O ATOM 668 OE2 GLU A 43 6.601 0.562 -8.945 1.00 0.00 O ATOM 0 H GLU A 43 5.714 -0.561 -5.968 1.00 0.00 H new ATOM 0 HA GLU A 43 4.999 -2.034 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.156 -2.625 -6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.077 -3.191 -7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.623 -0.404 -6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.688 -1.463 -7.849 1.00 0.00 H new ATOM 675 N LEU A 44 4.483 -3.311 -5.365 1.00 0.00 N ATOM 676 CA LEU A 44 3.813 -4.392 -4.660 1.00 0.00 C ATOM 677 C LEU A 44 2.381 -4.525 -5.138 1.00 0.00 C ATOM 678 O LEU A 44 1.919 -5.609 -5.452 1.00 0.00 O ATOM 679 CB LEU A 44 3.851 -4.160 -3.148 1.00 0.00 C ATOM 680 CG LEU A 44 3.073 -5.155 -2.300 1.00 0.00 C ATOM 681 CD1 LEU A 44 3.522 -6.575 -2.595 1.00 0.00 C ATOM 682 CD2 LEU A 44 3.269 -4.844 -0.844 1.00 0.00 C ATOM 0 H LEU A 44 4.785 -2.541 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 44 4.341 -5.321 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.892 -4.173 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.467 -3.161 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 44 2.014 -5.071 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.954 -7.272 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.351 -6.799 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.584 -6.675 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.710 -5.559 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.329 -4.911 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.911 -3.836 -0.636 1.00 0.00 H new ATOM 694 N ALA A 45 1.713 -3.405 -5.241 1.00 0.00 N ATOM 695 CA ALA A 45 0.356 -3.372 -5.686 1.00 0.00 C ATOM 696 C ALA A 45 0.267 -3.540 -7.195 1.00 0.00 C ATOM 697 O ALA A 45 -0.814 -3.740 -7.747 1.00 0.00 O ATOM 698 CB ALA A 45 -0.297 -2.095 -5.234 1.00 0.00 C ATOM 0 H ALA A 45 2.103 -2.490 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.180 -4.210 -5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.332 -2.075 -5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.273 -2.040 -4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.240 -1.244 -5.652 1.00 0.00 H new ATOM 704 N ALA A 46 1.401 -3.421 -7.856 1.00 0.00 N ATOM 705 CA ALA A 46 1.472 -3.607 -9.285 1.00 0.00 C ATOM 706 C ALA A 46 1.677 -5.069 -9.601 1.00 0.00 C ATOM 707 O ALA A 46 1.284 -5.547 -10.671 1.00 0.00 O ATOM 708 CB ALA A 46 2.594 -2.772 -9.890 1.00 0.00 C ATOM 0 H ALA A 46 2.293 -3.194 -7.417 1.00 0.00 H new ATOM 0 HA ALA A 46 0.532 -3.274 -9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.625 -2.931 -10.968 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.414 -1.717 -9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.546 -3.070 -9.452 1.00 0.00 H new ATOM 714 N LEU A 47 2.295 -5.779 -8.673 1.00 0.00 N ATOM 715 CA LEU A 47 2.565 -7.172 -8.853 1.00 0.00 C ATOM 716 C LEU A 47 1.304 -8.017 -8.861 1.00 0.00 C ATOM 717 O LEU A 47 0.312 -7.714 -8.196 1.00 0.00 O ATOM 718 CB LEU A 47 3.533 -7.703 -7.807 1.00 0.00 C ATOM 719 CG LEU A 47 4.958 -7.195 -7.900 1.00 0.00 C ATOM 720 CD1 LEU A 47 5.775 -7.740 -6.756 1.00 0.00 C ATOM 721 CD2 LEU A 47 5.585 -7.595 -9.224 1.00 0.00 C ATOM 0 H LEU A 47 2.617 -5.398 -7.783 1.00 0.00 H new ATOM 0 HA LEU A 47 3.030 -7.255 -9.835 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.143 -7.453 -6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.551 -8.791 -7.877 1.00 0.00 H new ATOM 0 HG LEU A 47 4.941 -6.107 -7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.798 -7.370 -6.831 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.340 -7.415 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.779 -8.829 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.608 -7.220 -9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.592 -8.682 -9.310 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.006 -7.170 -10.044 1.00 0.00 H new ATOM 733 N SER A 48 1.353 -9.065 -9.619 1.00 0.00 N ATOM 734 CA SER A 48 0.276 -9.989 -9.705 1.00 0.00 C ATOM 735 C SER A 48 0.412 -11.046 -8.589 1.00 0.00 C ATOM 736 O SER A 48 1.503 -11.232 -8.031 1.00 0.00 O ATOM 737 CB SER A 48 0.315 -10.621 -11.083 1.00 0.00 C ATOM 738 OG SER A 48 0.353 -9.604 -12.086 1.00 0.00 O ATOM 0 H SER A 48 2.155 -9.304 -10.203 1.00 0.00 H new ATOM 0 HA SER A 48 -0.684 -9.491 -9.567 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.190 -11.264 -11.172 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.561 -11.253 -11.227 1.00 0.00 H new ATOM 0 HG SER A 48 0.380 -10.020 -12.973 1.00 0.00 H new ATOM 744 N GLN A 49 -0.674 -11.751 -8.296 1.00 0.00 N ATOM 745 CA GLN A 49 -0.713 -12.756 -7.232 1.00 0.00 C ATOM 746 C GLN A 49 0.250 -13.892 -7.558 1.00 0.00 C ATOM 747 O GLN A 49 0.875 -14.473 -6.672 1.00 0.00 O ATOM 748 CB GLN A 49 -2.139 -13.296 -7.076 1.00 0.00 C ATOM 749 CG GLN A 49 -2.321 -14.296 -5.949 1.00 0.00 C ATOM 750 CD GLN A 49 -3.728 -14.864 -5.896 1.00 0.00 C ATOM 751 OE1 GLN A 49 -4.703 -14.184 -6.233 1.00 0.00 O ATOM 752 NE2 GLN A 49 -3.846 -16.115 -5.521 1.00 0.00 N ATOM 0 H GLN A 49 -1.559 -11.643 -8.791 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.408 -12.295 -6.292 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.814 -12.457 -6.911 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.439 -13.767 -8.012 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.608 -15.111 -6.073 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.092 -13.813 -4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.019 -16.646 -5.249 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.765 -16.557 -5.501 1.00 0.00 H new ATOM 761 N ASP A 50 0.401 -14.162 -8.836 1.00 0.00 N ATOM 762 CA ASP A 50 1.312 -15.202 -9.311 1.00 0.00 C ATOM 763 C ASP A 50 2.747 -14.820 -8.987 1.00 0.00 C ATOM 764 O ASP A 50 3.571 -15.669 -8.631 1.00 0.00 O ATOM 765 CB ASP A 50 1.160 -15.440 -10.822 1.00 0.00 C ATOM 766 CG ASP A 50 -0.227 -15.902 -11.216 1.00 0.00 C ATOM 767 OD1 ASP A 50 -0.579 -17.072 -10.963 1.00 0.00 O ATOM 768 OD2 ASP A 50 -0.993 -15.092 -11.787 1.00 0.00 O ATOM 0 H ASP A 50 -0.098 -13.674 -9.579 1.00 0.00 H new ATOM 0 HA ASP A 50 1.057 -16.130 -8.800 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.394 -14.518 -11.354 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.889 -16.185 -11.141 1.00 0.00 H new ATOM 773 N GLU A 51 3.029 -13.529 -9.050 1.00 0.00 N ATOM 774 CA GLU A 51 4.343 -13.015 -8.748 1.00 0.00 C ATOM 775 C GLU A 51 4.568 -13.094 -7.262 1.00 0.00 C ATOM 776 O GLU A 51 5.639 -13.463 -6.805 1.00 0.00 O ATOM 777 CB GLU A 51 4.491 -11.582 -9.248 1.00 0.00 C ATOM 778 CG GLU A 51 4.213 -11.433 -10.734 1.00 0.00 C ATOM 779 CD GLU A 51 5.066 -12.345 -11.573 1.00 0.00 C ATOM 780 OE1 GLU A 51 6.182 -11.954 -11.944 1.00 0.00 O ATOM 781 OE2 GLU A 51 4.640 -13.482 -11.863 1.00 0.00 O ATOM 0 H GLU A 51 2.351 -12.814 -9.312 1.00 0.00 H new ATOM 0 HA GLU A 51 5.095 -13.617 -9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.810 -10.938 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.502 -11.234 -9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.161 -11.645 -10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.390 -10.399 -11.032 1.00 0.00 H new ATOM 788 N LEU A 52 3.525 -12.796 -6.506 1.00 0.00 N ATOM 789 CA LEU A 52 3.578 -12.904 -5.061 1.00 0.00 C ATOM 790 C LEU A 52 3.793 -14.354 -4.655 1.00 0.00 C ATOM 791 O LEU A 52 4.471 -14.628 -3.705 1.00 0.00 O ATOM 792 CB LEU A 52 2.303 -12.355 -4.412 1.00 0.00 C ATOM 793 CG LEU A 52 1.972 -10.892 -4.694 1.00 0.00 C ATOM 794 CD1 LEU A 52 0.704 -10.482 -3.970 1.00 0.00 C ATOM 795 CD2 LEU A 52 3.132 -9.986 -4.311 1.00 0.00 C ATOM 0 H LEU A 52 2.628 -12.476 -6.872 1.00 0.00 H new ATOM 0 HA LEU A 52 4.417 -12.304 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.462 -12.965 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.386 -12.484 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 52 1.804 -10.784 -5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.485 -9.436 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.125 -11.103 -4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.840 -10.612 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.869 -8.949 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.345 -10.097 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.015 -10.261 -4.888 1.00 0.00 H new ATOM 807 N THR A 53 3.248 -15.282 -5.415 1.00 0.00 N ATOM 808 CA THR A 53 3.437 -16.693 -5.125 1.00 0.00 C ATOM 809 C THR A 53 4.910 -17.072 -5.359 1.00 0.00 C ATOM 810 O THR A 53 5.461 -17.915 -4.675 1.00 0.00 O ATOM 811 CB THR A 53 2.522 -17.582 -5.988 1.00 0.00 C ATOM 812 OG1 THR A 53 1.187 -17.054 -5.969 1.00 0.00 O ATOM 813 CG2 THR A 53 2.478 -18.993 -5.420 1.00 0.00 C ATOM 0 H THR A 53 2.673 -15.088 -6.235 1.00 0.00 H new ATOM 0 HA THR A 53 3.170 -16.862 -4.082 1.00 0.00 H new ATOM 0 HB THR A 53 2.914 -17.601 -7.005 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.157 -16.222 -6.486 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.828 -19.614 -6.037 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.483 -19.414 -5.414 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.091 -18.963 -4.402 1.00 0.00 H new ATOM 821 N SER A 54 5.530 -16.411 -6.303 1.00 0.00 N ATOM 822 CA SER A 54 6.934 -16.633 -6.623 1.00 0.00 C ATOM 823 C SER A 54 7.830 -16.080 -5.500 1.00 0.00 C ATOM 824 O SER A 54 8.845 -16.679 -5.130 1.00 0.00 O ATOM 825 CB SER A 54 7.261 -15.949 -7.961 1.00 0.00 C ATOM 826 OG SER A 54 8.596 -16.172 -8.371 1.00 0.00 O ATOM 0 H SER A 54 5.081 -15.699 -6.879 1.00 0.00 H new ATOM 0 HA SER A 54 7.123 -17.703 -6.711 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.582 -16.318 -8.730 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.087 -14.877 -7.870 1.00 0.00 H new ATOM 0 HG SER A 54 8.756 -15.720 -9.226 1.00 0.00 H new ATOM 832 N ILE A 55 7.439 -14.955 -4.960 1.00 0.00 N ATOM 833 CA ILE A 55 8.196 -14.298 -3.922 1.00 0.00 C ATOM 834 C ILE A 55 7.969 -14.958 -2.562 1.00 0.00 C ATOM 835 O ILE A 55 8.912 -15.340 -1.885 1.00 0.00 O ATOM 836 CB ILE A 55 7.795 -12.810 -3.828 1.00 0.00 C ATOM 837 CG1 ILE A 55 8.019 -12.119 -5.182 1.00 0.00 C ATOM 838 CG2 ILE A 55 8.596 -12.119 -2.730 1.00 0.00 C ATOM 839 CD1 ILE A 55 7.460 -10.713 -5.274 1.00 0.00 C ATOM 0 H ILE A 55 6.585 -14.466 -5.227 1.00 0.00 H new ATOM 0 HA ILE A 55 9.251 -14.385 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 55 6.737 -12.741 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.089 -12.084 -5.384 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.566 -12.728 -5.965 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.305 -11.070 -2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.397 -12.604 -1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.660 -12.189 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.664 -10.304 -6.264 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.383 -10.738 -5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.930 -10.084 -4.518 1.00 0.00 H new ATOM 851 N LEU A 56 6.720 -15.097 -2.192 1.00 0.00 N ATOM 852 CA LEU A 56 6.362 -15.579 -0.874 1.00 0.00 C ATOM 853 C LEU A 56 6.462 -17.097 -0.816 1.00 0.00 C ATOM 854 O LEU A 56 6.723 -17.674 0.234 1.00 0.00 O ATOM 855 CB LEU A 56 4.931 -15.137 -0.508 1.00 0.00 C ATOM 856 CG LEU A 56 4.503 -13.703 -0.918 1.00 0.00 C ATOM 857 CD1 LEU A 56 3.154 -13.377 -0.360 1.00 0.00 C ATOM 858 CD2 LEU A 56 5.508 -12.644 -0.521 1.00 0.00 C ATOM 0 H LEU A 56 5.923 -14.881 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 56 7.060 -15.151 -0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.234 -15.840 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.816 -15.228 0.572 1.00 0.00 H new ATOM 0 HG LEU A 56 4.457 -13.695 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.871 -12.367 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.421 -14.087 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.186 -13.438 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.148 -11.665 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.636 -12.652 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.464 -12.852 -1.001 1.00 0.00 H new ATOM 870 N GLY A 57 6.223 -17.730 -1.942 1.00 0.00 N ATOM 871 CA GLY A 57 6.311 -19.171 -2.039 1.00 0.00 C ATOM 872 C GLY A 57 5.055 -19.877 -1.582 1.00 0.00 C ATOM 873 O GLY A 57 5.023 -21.092 -1.498 1.00 0.00 O ATOM 0 H GLY A 57 5.964 -17.265 -2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.519 -19.447 -3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.153 -19.518 -1.440 1.00 0.00 H new ATOM 877 N ASN A 58 4.011 -19.122 -1.284 1.00 0.00 N ATOM 878 CA ASN A 58 2.754 -19.722 -0.852 1.00 0.00 C ATOM 879 C ASN A 58 1.659 -18.994 -1.535 1.00 0.00 C ATOM 880 O ASN A 58 1.641 -17.748 -1.507 1.00 0.00 O ATOM 881 CB ASN A 58 2.484 -19.561 0.661 1.00 0.00 C ATOM 882 CG ASN A 58 3.705 -19.458 1.524 1.00 0.00 C ATOM 883 OD1 ASN A 58 4.278 -20.451 1.965 1.00 0.00 O ATOM 884 ND2 ASN A 58 4.078 -18.242 1.814 1.00 0.00 N ATOM 0 H ASN A 58 4.005 -18.103 -1.331 1.00 0.00 H new ATOM 0 HA ASN A 58 2.809 -20.785 -1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.877 -18.668 0.812 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.891 -20.411 1.000 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.876 -18.087 2.430 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.572 -17.447 1.424 1.00 0.00 H new ATOM 891 N ALA A 59 0.733 -19.723 -2.104 1.00 0.00 N ATOM 892 CA ALA A 59 -0.420 -19.129 -2.750 1.00 0.00 C ATOM 893 C ALA A 59 -1.307 -18.490 -1.714 1.00 0.00 C ATOM 894 O ALA A 59 -2.018 -17.563 -2.004 1.00 0.00 O ATOM 895 CB ALA A 59 -1.212 -20.166 -3.503 1.00 0.00 C ATOM 0 H ALA A 59 0.752 -20.742 -2.135 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.065 -18.378 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.072 -19.693 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.581 -20.622 -4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.557 -20.934 -2.811 1.00 0.00 H new ATOM 901 N ALA A 60 -1.210 -18.982 -0.484 1.00 0.00 N ATOM 902 CA ALA A 60 -2.003 -18.483 0.619 1.00 0.00 C ATOM 903 C ALA A 60 -1.682 -17.044 0.858 1.00 0.00 C ATOM 904 O ALA A 60 -2.523 -16.188 0.747 1.00 0.00 O ATOM 905 CB ALA A 60 -1.703 -19.267 1.873 1.00 0.00 C ATOM 0 H ALA A 60 -0.576 -19.740 -0.229 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.058 -18.592 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.306 -18.882 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.940 -20.318 1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.646 -19.168 2.120 1.00 0.00 H new ATOM 911 N ASN A 61 -0.422 -16.789 1.115 1.00 0.00 N ATOM 912 CA ASN A 61 0.059 -15.460 1.422 1.00 0.00 C ATOM 913 C ASN A 61 -0.055 -14.555 0.221 1.00 0.00 C ATOM 914 O ASN A 61 -0.377 -13.388 0.356 1.00 0.00 O ATOM 915 CB ASN A 61 1.492 -15.515 1.955 1.00 0.00 C ATOM 916 CG ASN A 61 1.579 -15.998 3.397 1.00 0.00 C ATOM 917 OD1 ASN A 61 1.618 -15.223 4.329 1.00 0.00 O ATOM 918 ND2 ASN A 61 1.543 -17.259 3.583 1.00 0.00 N ATOM 0 H ASN A 61 0.306 -17.503 1.117 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.569 -15.038 2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.083 -16.176 1.321 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.937 -14.523 1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.547 -17.635 4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.511 -17.892 2.784 1.00 0.00 H new ATOM 925 N ALA A 62 0.157 -15.126 -0.956 1.00 0.00 N ATOM 926 CA ALA A 62 0.041 -14.392 -2.204 1.00 0.00 C ATOM 927 C ALA A 62 -1.390 -13.935 -2.403 1.00 0.00 C ATOM 928 O ALA A 62 -1.637 -12.805 -2.813 1.00 0.00 O ATOM 929 CB ALA A 62 0.462 -15.276 -3.361 1.00 0.00 C ATOM 0 H ALA A 62 0.413 -16.107 -1.071 1.00 0.00 H new ATOM 0 HA ALA A 62 0.692 -13.519 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.373 -14.720 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.497 -15.589 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.181 -16.155 -3.400 1.00 0.00 H new ATOM 935 N LYS A 63 -2.328 -14.806 -2.069 1.00 0.00 N ATOM 936 CA LYS A 63 -3.716 -14.525 -2.234 1.00 0.00 C ATOM 937 C LYS A 63 -4.157 -13.538 -1.186 1.00 0.00 C ATOM 938 O LYS A 63 -4.803 -12.569 -1.511 1.00 0.00 O ATOM 939 CB LYS A 63 -4.552 -15.812 -2.164 1.00 0.00 C ATOM 940 CG LYS A 63 -6.040 -15.588 -2.345 1.00 0.00 C ATOM 941 CD LYS A 63 -6.838 -16.832 -2.031 1.00 0.00 C ATOM 942 CE LYS A 63 -8.309 -16.611 -2.323 1.00 0.00 C ATOM 943 NZ LYS A 63 -9.148 -17.712 -1.820 1.00 0.00 N ATOM 0 H LYS A 63 -2.132 -15.726 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.873 -14.089 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.203 -16.503 -2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.381 -16.293 -1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.366 -14.774 -1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.239 -15.278 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.466 -17.668 -2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.706 -17.100 -0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.631 -15.674 -1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.453 -16.509 -3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.145 -17.518 -2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.860 -18.603 -2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.032 -17.794 -0.790 1.00 0.00 H new ATOM 957 N GLN A 64 -3.748 -13.775 0.069 1.00 0.00 N ATOM 958 CA GLN A 64 -4.089 -12.894 1.187 1.00 0.00 C ATOM 959 C GLN A 64 -3.699 -11.460 0.898 1.00 0.00 C ATOM 960 O GLN A 64 -4.488 -10.525 1.124 1.00 0.00 O ATOM 961 CB GLN A 64 -3.434 -13.359 2.494 1.00 0.00 C ATOM 962 CG GLN A 64 -3.887 -14.725 2.962 1.00 0.00 C ATOM 963 CD GLN A 64 -3.321 -15.090 4.321 1.00 0.00 C ATOM 964 OE1 GLN A 64 -2.155 -15.679 4.320 1.00 0.00 O flip ATOM 965 NE2 GLN A 64 -3.926 -14.821 5.365 1.00 0.00 N flip ATOM 0 H GLN A 64 -3.176 -14.577 0.333 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.171 -12.944 1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.352 -13.373 2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.649 -12.630 3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.976 -14.747 3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.583 -15.475 2.232 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.835 -14.360 5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.516 -15.060 6.268 1.00 0.00 H new ATOM 974 N LEU A 65 -2.519 -11.295 0.355 1.00 0.00 N ATOM 975 CA LEU A 65 -2.001 -9.999 0.056 1.00 0.00 C ATOM 976 C LEU A 65 -2.687 -9.390 -1.171 1.00 0.00 C ATOM 977 O LEU A 65 -3.213 -8.279 -1.090 1.00 0.00 O ATOM 978 CB LEU A 65 -0.482 -10.070 -0.103 1.00 0.00 C ATOM 979 CG LEU A 65 0.254 -8.747 -0.290 1.00 0.00 C ATOM 980 CD1 LEU A 65 -0.106 -7.772 0.821 1.00 0.00 C ATOM 981 CD2 LEU A 65 1.750 -8.995 -0.297 1.00 0.00 C ATOM 0 H LEU A 65 -1.894 -12.063 0.110 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.220 -9.332 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.071 -10.565 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.260 -10.706 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.046 -8.309 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.429 -6.834 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.179 -7.584 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.174 -8.198 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.275 -8.049 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.049 -9.445 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.003 -9.669 -1.115 1.00 0.00 H new ATOM 993 N TYR A 66 -2.734 -10.138 -2.281 1.00 0.00 N ATOM 994 CA TYR A 66 -3.334 -9.649 -3.532 1.00 0.00 C ATOM 995 C TYR A 66 -4.800 -9.247 -3.314 1.00 0.00 C ATOM 996 O TYR A 66 -5.258 -8.185 -3.801 1.00 0.00 O ATOM 997 CB TYR A 66 -3.233 -10.740 -4.598 1.00 0.00 C ATOM 998 CG TYR A 66 -3.656 -10.338 -5.989 1.00 0.00 C ATOM 999 CD1 TYR A 66 -2.799 -9.617 -6.805 1.00 0.00 C ATOM 1000 CD2 TYR A 66 -4.895 -10.703 -6.498 1.00 0.00 C ATOM 1001 CE1 TYR A 66 -3.162 -9.266 -8.085 1.00 0.00 C ATOM 1002 CE2 TYR A 66 -5.265 -10.360 -7.781 1.00 0.00 C ATOM 1003 CZ TYR A 66 -4.394 -9.641 -8.570 1.00 0.00 C ATOM 1004 OH TYR A 66 -4.752 -9.292 -9.851 1.00 0.00 O ATOM 0 H TYR A 66 -2.363 -11.086 -2.339 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.792 -8.764 -3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.201 -11.088 -4.639 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.843 -11.587 -4.283 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.829 -9.325 -6.430 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.580 -11.264 -5.879 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.484 -8.699 -8.706 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -6.231 -10.653 -8.165 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.651 -9.632 -10.044 1.00 0.00 H new ATOM 1014 N ASP A 67 -5.502 -10.087 -2.569 1.00 0.00 N ATOM 1015 CA ASP A 67 -6.906 -9.890 -2.197 1.00 0.00 C ATOM 1016 C ASP A 67 -7.079 -8.610 -1.422 1.00 0.00 C ATOM 1017 O ASP A 67 -7.961 -7.817 -1.726 1.00 0.00 O ATOM 1018 CB ASP A 67 -7.393 -11.091 -1.365 1.00 0.00 C ATOM 1019 CG ASP A 67 -8.770 -10.933 -0.767 1.00 0.00 C ATOM 1020 OD1 ASP A 67 -9.768 -11.257 -1.437 1.00 0.00 O ATOM 1021 OD2 ASP A 67 -8.871 -10.533 0.419 1.00 0.00 O ATOM 0 H ASP A 67 -5.106 -10.949 -2.194 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.504 -9.817 -3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.387 -11.979 -1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.681 -11.269 -0.559 1.00 0.00 H new ATOM 1026 N PHE A 68 -6.198 -8.383 -0.459 1.00 0.00 N ATOM 1027 CA PHE A 68 -6.261 -7.198 0.378 1.00 0.00 C ATOM 1028 C PHE A 68 -6.050 -5.949 -0.470 1.00 0.00 C ATOM 1029 O PHE A 68 -6.852 -5.038 -0.425 1.00 0.00 O ATOM 1030 CB PHE A 68 -5.211 -7.287 1.492 1.00 0.00 C ATOM 1031 CG PHE A 68 -5.232 -6.148 2.474 1.00 0.00 C ATOM 1032 CD1 PHE A 68 -6.254 -6.038 3.404 1.00 0.00 C ATOM 1033 CD2 PHE A 68 -4.220 -5.201 2.483 1.00 0.00 C ATOM 1034 CE1 PHE A 68 -6.267 -5.006 4.319 1.00 0.00 C ATOM 1035 CE2 PHE A 68 -4.232 -4.165 3.397 1.00 0.00 C ATOM 1036 CZ PHE A 68 -5.255 -4.068 4.314 1.00 0.00 C ATOM 0 H PHE A 68 -5.425 -9.011 -0.238 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.246 -7.136 0.840 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.358 -8.220 2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.222 -7.337 1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.049 -6.769 3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.414 -5.274 1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.069 -4.932 5.039 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.439 -3.431 3.392 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.265 -3.258 5.029 1.00 0.00 H new ATOM 1046 N ILE A 69 -4.996 -5.985 -1.287 1.00 0.00 N ATOM 1047 CA ILE A 69 -4.591 -4.899 -2.211 1.00 0.00 C ATOM 1048 C ILE A 69 -5.745 -4.451 -3.138 1.00 0.00 C ATOM 1049 O ILE A 69 -5.805 -3.280 -3.597 1.00 0.00 O ATOM 1050 CB ILE A 69 -3.371 -5.369 -3.073 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -2.147 -5.606 -2.193 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -3.038 -4.387 -4.185 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -0.991 -6.225 -2.936 1.00 0.00 C ATOM 0 H ILE A 69 -4.374 -6.792 -1.333 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.313 -4.039 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.659 -6.309 -3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.827 -4.657 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.425 -6.254 -1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.185 -4.757 -4.754 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.898 -4.281 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.792 -3.417 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.154 -6.367 -2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.295 -7.190 -3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.688 -5.567 -3.750 1.00 0.00 H new ATOM 1065 N HIS A 70 -6.606 -5.384 -3.470 1.00 0.00 N ATOM 1066 CA HIS A 70 -7.715 -5.099 -4.378 1.00 0.00 C ATOM 1067 C HIS A 70 -9.103 -4.999 -3.706 1.00 0.00 C ATOM 1068 O HIS A 70 -10.081 -4.681 -4.383 1.00 0.00 O ATOM 1069 CB HIS A 70 -7.734 -6.108 -5.514 1.00 0.00 C ATOM 1070 CG HIS A 70 -6.541 -6.018 -6.391 1.00 0.00 C ATOM 1071 ND1 HIS A 70 -5.384 -6.707 -6.147 1.00 0.00 N ATOM 1072 CD2 HIS A 70 -6.308 -5.274 -7.485 1.00 0.00 C ATOM 1073 CE1 HIS A 70 -4.488 -6.382 -7.052 1.00 0.00 C ATOM 1074 NE2 HIS A 70 -5.025 -5.519 -7.869 1.00 0.00 N ATOM 0 H HIS A 70 -6.569 -6.346 -3.132 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.524 -4.099 -4.767 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.797 -7.114 -5.098 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.631 -5.954 -6.114 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.240 -7.368 -5.384 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.007 -4.607 -7.969 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.480 -6.764 -7.109 1.00 0.00 H new ATOM 1083 N THR A 71 -9.189 -5.227 -2.414 1.00 0.00 N ATOM 1084 CA THR A 71 -10.459 -5.151 -1.710 1.00 0.00 C ATOM 1085 C THR A 71 -10.755 -3.709 -1.317 1.00 0.00 C ATOM 1086 O THR A 71 -10.058 -3.147 -0.500 1.00 0.00 O ATOM 1087 CB THR A 71 -10.461 -6.050 -0.432 1.00 0.00 C ATOM 1088 OG1 THR A 71 -10.403 -7.441 -0.789 1.00 0.00 O ATOM 1089 CG2 THR A 71 -11.687 -5.805 0.445 1.00 0.00 C ATOM 0 H THR A 71 -8.393 -5.468 -1.823 1.00 0.00 H new ATOM 0 HA THR A 71 -11.233 -5.515 -2.386 1.00 0.00 H new ATOM 0 HB THR A 71 -9.574 -5.780 0.141 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.527 -7.643 -1.178 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.643 -6.453 1.321 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.703 -4.763 0.765 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.591 -6.024 -0.124 1.00 0.00 H new ATOM 1097 N SER A 72 -11.771 -3.125 -1.920 1.00 0.00 N ATOM 1098 CA SER A 72 -12.183 -1.755 -1.622 1.00 0.00 C ATOM 1099 C SER A 72 -12.367 -1.558 -0.103 1.00 0.00 C ATOM 1100 O SER A 72 -12.849 -2.470 0.600 1.00 0.00 O ATOM 1101 CB SER A 72 -13.507 -1.441 -2.318 1.00 0.00 C ATOM 1102 OG SER A 72 -13.480 -1.832 -3.673 1.00 0.00 O ATOM 0 H SER A 72 -12.340 -3.582 -2.633 1.00 0.00 H new ATOM 0 HA SER A 72 -11.403 -1.085 -1.983 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.320 -1.955 -1.805 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.712 -0.373 -2.250 1.00 0.00 H new ATOM 0 HG SER A 72 -14.340 -1.620 -4.092 1.00 0.00 H new ATOM 1108 N PHE A 73 -12.014 -0.377 0.389 1.00 0.00 N ATOM 1109 CA PHE A 73 -12.115 -0.048 1.824 1.00 0.00 C ATOM 1110 C PHE A 73 -13.559 -0.241 2.324 1.00 0.00 C ATOM 1111 O PHE A 73 -13.790 -0.555 3.487 1.00 0.00 O ATOM 1112 CB PHE A 73 -11.683 1.410 2.079 1.00 0.00 C ATOM 1113 CG PHE A 73 -10.422 1.822 1.360 1.00 0.00 C ATOM 1114 CD1 PHE A 73 -9.170 1.395 1.784 1.00 0.00 C ATOM 1115 CD2 PHE A 73 -10.500 2.619 0.231 1.00 0.00 C ATOM 1116 CE1 PHE A 73 -8.036 1.752 1.091 1.00 0.00 C ATOM 1117 CE2 PHE A 73 -9.365 2.988 -0.456 1.00 0.00 C ATOM 1118 CZ PHE A 73 -8.133 2.553 -0.031 1.00 0.00 C ATOM 0 H PHE A 73 -11.650 0.384 -0.185 1.00 0.00 H new ATOM 0 HA PHE A 73 -11.452 -0.721 2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -12.493 2.074 1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -11.538 1.551 3.150 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.086 0.777 2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.465 2.956 -0.116 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.069 1.406 1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.443 3.619 -1.329 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.243 2.836 -0.572 1.00 0.00 H new ATOM 1516 N GLY B 115 -9.304 -3.172 8.418 1.00 0.00 N ATOM 1517 CA GLY B 115 -8.129 -3.573 7.686 1.00 0.00 C ATOM 1518 C GLY B 115 -7.694 -2.491 6.697 1.00 0.00 C ATOM 1519 O GLY B 115 -6.774 -1.720 6.981 1.00 0.00 O ATOM 0 HA2 GLY B 115 -7.317 -3.779 8.383 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -8.331 -4.500 7.149 1.00 0.00 H new ATOM 1523 N PRO B 116 -8.381 -2.382 5.551 1.00 0.00 N ATOM 1524 CA PRO B 116 -8.044 -1.414 4.497 1.00 0.00 C ATOM 1525 C PRO B 116 -8.265 0.074 4.918 1.00 0.00 C ATOM 1526 O PRO B 116 -7.466 0.962 4.563 1.00 0.00 O ATOM 1527 CB PRO B 116 -8.992 -1.838 3.353 1.00 0.00 C ATOM 1528 CG PRO B 116 -10.135 -2.477 4.037 1.00 0.00 C ATOM 1529 CD PRO B 116 -9.535 -3.223 5.173 1.00 0.00 C ATOM 0 HA PRO B 116 -6.987 -1.435 4.233 1.00 0.00 H new ATOM 0 HB2 PRO B 116 -9.312 -0.979 2.764 1.00 0.00 H new ATOM 0 HB3 PRO B 116 -8.502 -2.530 2.668 1.00 0.00 H new ATOM 0 HG2 PRO B 116 -10.851 -1.734 4.387 1.00 0.00 H new ATOM 0 HG3 PRO B 116 -10.673 -3.146 3.365 1.00 0.00 H new ATOM 0 HD2 PRO B 116 -10.239 -3.337 5.998 1.00 0.00 H new ATOM 0 HD3 PRO B 116 -9.224 -4.225 4.878 1.00 0.00 H new ATOM 1537 N GLN B 117 -9.312 0.329 5.708 1.00 0.00 N ATOM 1538 CA GLN B 117 -9.661 1.695 6.136 1.00 0.00 C ATOM 1539 C GLN B 117 -8.537 2.281 6.999 1.00 0.00 C ATOM 1540 O GLN B 117 -7.963 3.341 6.697 1.00 0.00 O ATOM 1541 CB GLN B 117 -10.948 1.670 6.953 1.00 0.00 C ATOM 1542 CG GLN B 117 -11.466 3.042 7.330 1.00 0.00 C ATOM 1543 CD GLN B 117 -12.566 2.998 8.361 1.00 0.00 C ATOM 1544 OE1 GLN B 117 -12.601 2.110 9.224 1.00 0.00 O ATOM 1545 NE2 GLN B 117 -13.473 3.931 8.284 1.00 0.00 N ATOM 0 H GLN B 117 -9.937 -0.392 6.067 1.00 0.00 H new ATOM 0 HA GLN B 117 -9.799 2.312 5.248 1.00 0.00 H new ATOM 0 HB2 GLN B 117 -11.717 1.146 6.385 1.00 0.00 H new ATOM 0 HB3 GLN B 117 -10.777 1.095 7.863 1.00 0.00 H new ATOM 0 HG2 GLN B 117 -10.641 3.642 7.714 1.00 0.00 H new ATOM 0 HG3 GLN B 117 -11.835 3.543 6.435 1.00 0.00 H new ATOM 0 HE21 GLN B 117 -13.410 4.645 7.559 1.00 0.00 H new ATOM 0 HE22 GLN B 117 -14.246 3.947 8.949 1.00 0.00 H new ATOM 1554 N ASP B 118 -8.215 1.559 8.052 1.00 0.00 N ATOM 1555 CA ASP B 118 -7.160 1.934 8.977 1.00 0.00 C ATOM 1556 C ASP B 118 -5.808 1.934 8.283 1.00 0.00 C ATOM 1557 O ASP B 118 -4.891 2.668 8.677 1.00 0.00 O ATOM 1558 CB ASP B 118 -7.173 1.018 10.192 1.00 0.00 C ATOM 1559 CG ASP B 118 -6.031 1.225 11.133 1.00 0.00 C ATOM 1560 OD1 ASP B 118 -6.062 2.197 11.907 1.00 0.00 O ATOM 1561 OD2 ASP B 118 -5.090 0.410 11.121 1.00 0.00 O ATOM 0 H ASP B 118 -8.682 0.685 8.294 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.343 2.950 9.326 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -8.107 1.167 10.734 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -7.164 -0.017 9.851 1.00 0.00 H new ATOM 1566 N PHE B 119 -5.692 1.102 7.242 1.00 0.00 N ATOM 1567 CA PHE B 119 -4.461 0.969 6.484 1.00 0.00 C ATOM 1568 C PHE B 119 -4.093 2.313 5.877 1.00 0.00 C ATOM 1569 O PHE B 119 -2.932 2.683 5.837 1.00 0.00 O ATOM 1570 CB PHE B 119 -4.629 -0.071 5.388 1.00 0.00 C ATOM 1571 CG PHE B 119 -3.354 -0.662 4.918 1.00 0.00 C ATOM 1572 CD1 PHE B 119 -2.612 -1.446 5.784 1.00 0.00 C ATOM 1573 CD2 PHE B 119 -2.891 -0.456 3.629 1.00 0.00 C ATOM 1574 CE1 PHE B 119 -1.433 -2.018 5.386 1.00 0.00 C ATOM 1575 CE2 PHE B 119 -1.705 -1.034 3.229 1.00 0.00 C ATOM 1576 CZ PHE B 119 -0.980 -1.816 4.112 1.00 0.00 C ATOM 0 H PHE B 119 -6.451 0.507 6.909 1.00 0.00 H new ATOM 0 HA PHE B 119 -3.662 0.644 7.151 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -5.274 -0.869 5.755 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -5.139 0.388 4.541 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -2.969 -1.609 6.790 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -3.456 0.155 2.941 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -0.864 -2.625 6.075 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -1.341 -0.876 2.225 1.00 0.00 H new ATOM 0 HZ PHE B 119 -0.053 -2.268 3.793 1.00 0.00 H new ATOM 1586 N LEU B 120 -5.099 3.036 5.430 1.00 0.00 N ATOM 1587 CA LEU B 120 -4.907 4.380 4.914 1.00 0.00 C ATOM 1588 C LEU B 120 -4.544 5.330 6.021 1.00 0.00 C ATOM 1589 O LEU B 120 -3.562 6.032 5.941 1.00 0.00 O ATOM 1590 CB LEU B 120 -6.168 4.899 4.268 1.00 0.00 C ATOM 1591 CG LEU B 120 -6.675 4.162 3.067 1.00 0.00 C ATOM 1592 CD1 LEU B 120 -7.974 4.784 2.618 1.00 0.00 C ATOM 1593 CD2 LEU B 120 -5.648 4.196 1.952 1.00 0.00 C ATOM 0 H LEU B 120 -6.067 2.714 5.413 1.00 0.00 H new ATOM 0 HA LEU B 120 -4.103 4.324 4.180 1.00 0.00 H new ATOM 0 HB2 LEU B 120 -6.957 4.902 5.020 1.00 0.00 H new ATOM 0 HB3 LEU B 120 -5.998 5.937 3.981 1.00 0.00 H new ATOM 0 HG LEU B 120 -6.849 3.118 3.327 1.00 0.00 H new ATOM 0 HD11 LEU B 120 -8.349 4.252 1.744 1.00 0.00 H new ATOM 0 HD12 LEU B 120 -8.706 4.720 3.423 1.00 0.00 H new ATOM 0 HD13 LEU B 120 -7.807 5.830 2.362 1.00 0.00 H new ATOM 0 HD21 LEU B 120 -6.032 3.656 1.087 1.00 0.00 H new ATOM 0 HD22 LEU B 120 -5.447 5.231 1.674 1.00 0.00 H new ATOM 0 HD23 LEU B 120 -4.725 3.726 2.293 1.00 0.00 H new ATOM 1605 N LEU B 121 -5.338 5.328 7.075 1.00 0.00 N ATOM 1606 CA LEU B 121 -5.176 6.278 8.191 1.00 0.00 C ATOM 1607 C LEU B 121 -3.815 6.193 8.888 1.00 0.00 C ATOM 1608 O LEU B 121 -3.432 7.107 9.633 1.00 0.00 O ATOM 1609 CB LEU B 121 -6.274 6.083 9.207 1.00 0.00 C ATOM 1610 CG LEU B 121 -7.689 6.328 8.713 1.00 0.00 C ATOM 1611 CD1 LEU B 121 -8.672 5.854 9.751 1.00 0.00 C ATOM 1612 CD2 LEU B 121 -7.907 7.809 8.425 1.00 0.00 C ATOM 0 H LEU B 121 -6.114 4.676 7.194 1.00 0.00 H new ATOM 0 HA LEU B 121 -5.237 7.271 7.746 1.00 0.00 H new ATOM 0 HB2 LEU B 121 -6.214 5.063 9.586 1.00 0.00 H new ATOM 0 HB3 LEU B 121 -6.084 6.748 10.050 1.00 0.00 H new ATOM 0 HG LEU B 121 -7.842 5.773 7.788 1.00 0.00 H new ATOM 0 HD11 LEU B 121 -9.688 6.030 9.397 1.00 0.00 H new ATOM 0 HD12 LEU B 121 -8.529 4.788 9.928 1.00 0.00 H new ATOM 0 HD13 LEU B 121 -8.512 6.401 10.680 1.00 0.00 H new ATOM 0 HD21 LEU B 121 -8.926 7.965 8.072 1.00 0.00 H new ATOM 0 HD22 LEU B 121 -7.747 8.384 9.337 1.00 0.00 H new ATOM 0 HD23 LEU B 121 -7.204 8.138 7.660 1.00 0.00 H new ATOM 1624 N LYS B 122 -3.099 5.119 8.671 1.00 0.00 N ATOM 1625 CA LYS B 122 -1.792 4.962 9.277 1.00 0.00 C ATOM 1626 C LYS B 122 -0.683 5.416 8.334 1.00 0.00 C ATOM 1627 O LYS B 122 0.512 5.333 8.671 1.00 0.00 O ATOM 1628 CB LYS B 122 -1.554 3.530 9.689 1.00 0.00 C ATOM 1629 CG LYS B 122 -1.413 2.578 8.538 1.00 0.00 C ATOM 1630 CD LYS B 122 -0.972 1.206 8.980 1.00 0.00 C ATOM 1631 CE LYS B 122 -2.106 0.367 9.617 1.00 0.00 C ATOM 1632 NZ LYS B 122 -2.513 0.814 10.976 1.00 0.00 N ATOM 0 H LYS B 122 -3.394 4.340 8.082 1.00 0.00 H new ATOM 0 HA LYS B 122 -1.772 5.594 10.165 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -0.651 3.483 10.298 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -2.381 3.202 10.319 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -2.366 2.500 8.015 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -0.691 2.977 7.826 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -0.572 0.668 8.121 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -0.159 1.309 9.699 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -2.976 0.398 8.962 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -1.785 -0.673 9.671 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -2.461 0.012 11.636 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -1.875 1.569 11.299 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -3.488 1.174 10.945 1.00 0.00 H new ATOM 1646 N MET B 123 -1.065 5.863 7.160 1.00 0.00 N ATOM 1647 CA MET B 123 -0.117 6.321 6.176 1.00 0.00 C ATOM 1648 C MET B 123 0.134 7.818 6.392 1.00 0.00 C ATOM 1649 O MET B 123 -0.789 8.550 6.788 1.00 0.00 O ATOM 1650 CB MET B 123 -0.661 6.138 4.749 1.00 0.00 C ATOM 1651 CG MET B 123 -1.084 4.730 4.355 1.00 0.00 C ATOM 1652 SD MET B 123 -1.654 4.694 2.636 1.00 0.00 S ATOM 1653 CE MET B 123 -2.048 2.969 2.384 1.00 0.00 C ATOM 0 H MET B 123 -2.039 5.919 6.863 1.00 0.00 H new ATOM 0 HA MET B 123 0.798 5.739 6.288 1.00 0.00 H new ATOM 0 HB2 MET B 123 -1.519 6.799 4.624 1.00 0.00 H new ATOM 0 HB3 MET B 123 0.103 6.473 4.048 1.00 0.00 H new ATOM 0 HG2 MET B 123 -0.246 4.044 4.481 1.00 0.00 H new ATOM 0 HG3 MET B 123 -1.880 4.385 5.015 1.00 0.00 H new ATOM 0 HE1 MET B 123 -2.815 2.880 1.614 1.00 0.00 H new ATOM 0 HE2 MET B 123 -1.153 2.434 2.068 1.00 0.00 H new ATOM 0 HE3 MET B 123 -2.418 2.540 3.316 1.00 0.00 H new ATOM 1663 N PRO B 124 1.367 8.301 6.180 1.00 0.00 N ATOM 1664 CA PRO B 124 1.676 9.729 6.284 1.00 0.00 C ATOM 1665 C PRO B 124 0.985 10.521 5.179 1.00 0.00 C ATOM 1666 O PRO B 124 1.044 10.150 4.006 1.00 0.00 O ATOM 1667 CB PRO B 124 3.189 9.800 6.108 1.00 0.00 C ATOM 1668 CG PRO B 124 3.551 8.540 5.410 1.00 0.00 C ATOM 1669 CD PRO B 124 2.551 7.508 5.844 1.00 0.00 C ATOM 0 HA PRO B 124 1.336 10.153 7.229 1.00 0.00 H new ATOM 0 HB2 PRO B 124 3.478 10.673 5.523 1.00 0.00 H new ATOM 0 HB3 PRO B 124 3.696 9.879 7.070 1.00 0.00 H new ATOM 0 HG2 PRO B 124 3.525 8.675 4.329 1.00 0.00 H new ATOM 0 HG3 PRO B 124 4.564 8.231 5.668 1.00 0.00 H new ATOM 0 HD2 PRO B 124 2.342 6.792 5.049 1.00 0.00 H new ATOM 0 HD3 PRO B 124 2.909 6.938 6.701 1.00 0.00 H new ATOM 1677 N GLY B 125 0.318 11.582 5.554 1.00 0.00 N ATOM 1678 CA GLY B 125 -0.386 12.375 4.596 1.00 0.00 C ATOM 1679 C GLY B 125 -1.874 12.137 4.723 1.00 0.00 C ATOM 1680 O GLY B 125 -2.699 12.912 4.254 1.00 0.00 O ATOM 0 H GLY B 125 0.251 11.912 6.517 1.00 0.00 H new ATOM 0 HA2 GLY B 125 -0.163 13.431 4.751 1.00 0.00 H new ATOM 0 HA3 GLY B 125 -0.054 12.124 3.589 1.00 0.00 H new ATOM 1684 N VAL B 126 -2.214 11.066 5.379 1.00 0.00 N ATOM 1685 CA VAL B 126 -3.575 10.676 5.517 1.00 0.00 C ATOM 1686 C VAL B 126 -4.164 11.098 6.860 1.00 0.00 C ATOM 1687 O VAL B 126 -3.579 10.880 7.923 1.00 0.00 O ATOM 1688 CB VAL B 126 -3.749 9.157 5.308 1.00 0.00 C ATOM 1689 CG1 VAL B 126 -5.205 8.753 5.437 1.00 0.00 C ATOM 1690 CG2 VAL B 126 -3.208 8.753 3.949 1.00 0.00 C ATOM 0 H VAL B 126 -1.548 10.440 5.833 1.00 0.00 H new ATOM 0 HA VAL B 126 -4.127 11.199 4.736 1.00 0.00 H new ATOM 0 HB VAL B 126 -3.185 8.638 6.083 1.00 0.00 H new ATOM 0 HG11 VAL B 126 -5.299 7.678 5.285 1.00 0.00 H new ATOM 0 HG12 VAL B 126 -5.568 9.012 6.432 1.00 0.00 H new ATOM 0 HG13 VAL B 126 -5.796 9.278 4.687 1.00 0.00 H new ATOM 0 HG21 VAL B 126 -3.335 7.679 3.811 1.00 0.00 H new ATOM 0 HG22 VAL B 126 -3.751 9.286 3.168 1.00 0.00 H new ATOM 0 HG23 VAL B 126 -2.149 9.003 3.890 1.00 0.00 H new ATOM 1700 N ASN B 127 -5.307 11.716 6.777 1.00 0.00 N ATOM 1701 CA ASN B 127 -6.115 12.118 7.909 1.00 0.00 C ATOM 1702 C ASN B 127 -7.474 11.677 7.535 1.00 0.00 C ATOM 1703 O ASN B 127 -7.732 11.561 6.340 1.00 0.00 O ATOM 1704 CB ASN B 127 -6.153 13.638 8.095 1.00 0.00 C ATOM 1705 CG ASN B 127 -4.808 14.283 8.274 1.00 0.00 C ATOM 1706 OD1 ASN B 127 -4.288 14.385 9.382 1.00 0.00 O ATOM 1707 ND2 ASN B 127 -4.263 14.770 7.189 1.00 0.00 N ATOM 0 H ASN B 127 -5.726 11.968 5.882 1.00 0.00 H new ATOM 0 HA ASN B 127 -5.723 11.697 8.835 1.00 0.00 H new ATOM 0 HB2 ASN B 127 -6.642 14.084 7.229 1.00 0.00 H new ATOM 0 HB3 ASN B 127 -6.770 13.869 8.964 1.00 0.00 H new ATOM 0 HD21 ASN B 127 -3.369 15.259 7.242 1.00 0.00 H new ATOM 0 HD22 ASN B 127 -4.732 14.661 6.290 1.00 0.00 H new ATOM 1714 N ALA B 128 -8.356 11.487 8.484 1.00 0.00 N ATOM 1715 CA ALA B 128 -9.694 10.946 8.225 1.00 0.00 C ATOM 1716 C ALA B 128 -10.467 11.764 7.207 1.00 0.00 C ATOM 1717 O ALA B 128 -11.213 11.208 6.398 1.00 0.00 O ATOM 1718 CB ALA B 128 -10.482 10.786 9.516 1.00 0.00 C ATOM 0 H ALA B 128 -8.179 11.700 9.466 1.00 0.00 H new ATOM 0 HA ALA B 128 -9.552 9.957 7.788 1.00 0.00 H new ATOM 0 HB1 ALA B 128 -11.470 10.383 9.292 1.00 0.00 H new ATOM 0 HB2 ALA B 128 -9.954 10.103 10.182 1.00 0.00 H new ATOM 0 HB3 ALA B 128 -10.588 11.757 10.000 1.00 0.00 H new ATOM 1724 N LYS B 129 -10.198 13.051 7.179 1.00 0.00 N ATOM 1725 CA LYS B 129 -10.884 13.969 6.291 1.00 0.00 C ATOM 1726 C LYS B 129 -10.560 13.636 4.827 1.00 0.00 C ATOM 1727 O LYS B 129 -11.441 13.366 3.977 1.00 0.00 O ATOM 1728 CB LYS B 129 -10.499 15.432 6.661 1.00 0.00 C ATOM 1729 CG LYS B 129 -8.982 15.710 6.718 1.00 0.00 C ATOM 1730 CD LYS B 129 -8.669 17.124 7.193 1.00 0.00 C ATOM 1731 CE LYS B 129 -7.159 17.341 7.403 1.00 0.00 C ATOM 1732 NZ LYS B 129 -6.372 17.253 6.149 1.00 0.00 N ATOM 0 H LYS B 129 -9.496 13.493 7.772 1.00 0.00 H new ATOM 0 HA LYS B 129 -11.962 13.865 6.410 1.00 0.00 H new ATOM 0 HB2 LYS B 129 -10.950 16.106 5.933 1.00 0.00 H new ATOM 0 HB3 LYS B 129 -10.934 15.673 7.631 1.00 0.00 H new ATOM 0 HG2 LYS B 129 -8.508 14.992 7.387 1.00 0.00 H new ATOM 0 HG3 LYS B 129 -8.550 15.558 5.729 1.00 0.00 H new ATOM 0 HD2 LYS B 129 -9.040 17.842 6.462 1.00 0.00 H new ATOM 0 HD3 LYS B 129 -9.196 17.318 8.127 1.00 0.00 H new ATOM 0 HE2 LYS B 129 -6.999 18.320 7.856 1.00 0.00 H new ATOM 0 HE3 LYS B 129 -6.787 16.599 8.109 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 -5.386 17.524 6.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 -6.400 16.278 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 -6.777 17.896 5.439 1.00 0.00 H new ATOM 1746 N ASN B 130 -9.315 13.518 4.572 1.00 0.00 N ATOM 1747 CA ASN B 130 -8.856 13.312 3.246 1.00 0.00 C ATOM 1748 C ASN B 130 -8.791 11.841 2.913 1.00 0.00 C ATOM 1749 O ASN B 130 -8.716 11.460 1.764 1.00 0.00 O ATOM 1750 CB ASN B 130 -7.551 14.082 2.993 1.00 0.00 C ATOM 1751 CG ASN B 130 -6.429 13.830 4.005 1.00 0.00 C ATOM 1752 OD1 ASN B 130 -6.364 14.491 5.054 1.00 0.00 O ATOM 1753 ND2 ASN B 130 -5.539 12.921 3.711 1.00 0.00 N ATOM 0 H ASN B 130 -8.578 13.561 5.276 1.00 0.00 H new ATOM 0 HA ASN B 130 -9.580 13.729 2.546 1.00 0.00 H new ATOM 0 HB2 ASN B 130 -7.185 13.824 1.999 1.00 0.00 H new ATOM 0 HB3 ASN B 130 -7.775 15.149 2.984 1.00 0.00 H new ATOM 0 HD21 ASN B 130 -4.765 12.739 4.350 1.00 0.00 H new ATOM 0 HD22 ASN B 130 -5.617 12.393 2.842 1.00 0.00 H new ATOM 1760 N CYS B 131 -8.866 11.031 3.938 1.00 0.00 N ATOM 1761 CA CYS B 131 -8.915 9.605 3.817 1.00 0.00 C ATOM 1762 C CYS B 131 -10.260 9.189 3.323 1.00 0.00 C ATOM 1763 O CYS B 131 -10.350 8.324 2.503 1.00 0.00 O ATOM 1764 CB CYS B 131 -8.667 8.935 5.145 1.00 0.00 C ATOM 1765 SG CYS B 131 -8.701 7.139 5.098 1.00 0.00 S ATOM 0 H CYS B 131 -8.895 11.359 4.903 1.00 0.00 H new ATOM 0 HA CYS B 131 -8.137 9.303 3.115 1.00 0.00 H new ATOM 0 HB2 CYS B 131 -7.697 9.257 5.523 1.00 0.00 H new ATOM 0 HB3 CYS B 131 -9.417 9.281 5.857 1.00 0.00 H new ATOM 0 HG CYS B 131 -9.107 6.682 6.245 1.00 0.00 H new ATOM 1771 N ARG B 132 -11.313 9.803 3.846 1.00 0.00 N ATOM 1772 CA ARG B 132 -12.657 9.456 3.427 1.00 0.00 C ATOM 1773 C ARG B 132 -12.864 9.869 1.993 1.00 0.00 C ATOM 1774 O ARG B 132 -13.435 9.119 1.195 1.00 0.00 O ATOM 1775 CB ARG B 132 -13.707 10.076 4.346 1.00 0.00 C ATOM 1776 CG ARG B 132 -13.795 11.586 4.316 1.00 0.00 C ATOM 1777 CD ARG B 132 -15.015 12.049 3.516 1.00 0.00 C ATOM 1778 NE ARG B 132 -16.260 11.536 4.110 1.00 0.00 N ATOM 1779 CZ ARG B 132 -17.493 11.686 3.617 1.00 0.00 C ATOM 1780 NH1 ARG B 132 -17.705 12.390 2.516 1.00 0.00 N ATOM 1781 NH2 ARG B 132 -18.516 11.140 4.252 1.00 0.00 N ATOM 0 H ARG B 132 -11.260 10.536 4.554 1.00 0.00 H new ATOM 0 HA ARG B 132 -12.777 8.375 3.499 1.00 0.00 H new ATOM 0 HB2 ARG B 132 -14.682 9.668 4.080 1.00 0.00 H new ATOM 0 HB3 ARG B 132 -13.498 9.763 5.369 1.00 0.00 H new ATOM 0 HG2 ARG B 132 -13.856 11.970 5.334 1.00 0.00 H new ATOM 0 HG3 ARG B 132 -12.888 11.998 3.874 1.00 0.00 H new ATOM 0 HD2 ARG B 132 -15.043 13.138 3.487 1.00 0.00 H new ATOM 0 HD3 ARG B 132 -14.931 11.705 2.485 1.00 0.00 H new ATOM 0 HE ARG B 132 -16.173 11.015 4.983 1.00 0.00 H new ATOM 0 HH11 ARG B 132 -16.921 12.827 2.031 1.00 0.00 H new ATOM 0 HH12 ARG B 132 -18.652 12.495 2.152 1.00 0.00 H new ATOM 0 HH21 ARG B 132 -18.360 10.610 5.110 1.00 0.00 H new ATOM 0 HH22 ARG B 132 -19.461 11.248 3.884 1.00 0.00 H new ATOM 1795 N SER B 133 -12.376 11.053 1.664 1.00 0.00 N ATOM 1796 CA SER B 133 -12.406 11.519 0.307 1.00 0.00 C ATOM 1797 C SER B 133 -11.618 10.535 -0.592 1.00 0.00 C ATOM 1798 O SER B 133 -12.090 10.100 -1.659 1.00 0.00 O ATOM 1799 CB SER B 133 -11.804 12.910 0.277 1.00 0.00 C ATOM 1800 OG SER B 133 -12.511 13.768 1.162 1.00 0.00 O ATOM 0 H SER B 133 -11.955 11.704 2.327 1.00 0.00 H new ATOM 0 HA SER B 133 -13.427 11.566 -0.073 1.00 0.00 H new ATOM 0 HB2 SER B 133 -10.753 12.866 0.563 1.00 0.00 H new ATOM 0 HB3 SER B 133 -11.842 13.309 -0.737 1.00 0.00 H new ATOM 0 HG SER B 133 -12.164 13.657 2.072 1.00 0.00 H new ATOM 1806 N LEU B 134 -10.465 10.118 -0.098 1.00 0.00 N ATOM 1807 CA LEU B 134 -9.596 9.187 -0.815 1.00 0.00 C ATOM 1808 C LEU B 134 -10.322 7.875 -1.029 1.00 0.00 C ATOM 1809 O LEU B 134 -10.291 7.314 -2.074 1.00 0.00 O ATOM 1810 CB LEU B 134 -8.366 8.876 0.003 1.00 0.00 C ATOM 1811 CG LEU B 134 -7.260 8.168 -0.751 1.00 0.00 C ATOM 1812 CD1 LEU B 134 -6.449 9.134 -1.594 1.00 0.00 C ATOM 1813 CD2 LEU B 134 -6.403 7.365 0.179 1.00 0.00 C ATOM 0 H LEU B 134 -10.101 10.411 0.809 1.00 0.00 H new ATOM 0 HA LEU B 134 -9.320 9.650 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU B 134 -7.971 9.808 0.407 1.00 0.00 H new ATOM 0 HB3 LEU B 134 -8.659 8.259 0.853 1.00 0.00 H new ATOM 0 HG LEU B 134 -7.724 7.467 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU B 134 -5.665 8.589 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU B 134 -7.101 9.620 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU B 134 -5.997 9.888 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU B 134 -5.617 6.867 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU B 134 -5.953 8.025 0.920 1.00 0.00 H new ATOM 0 HD23 LEU B 134 -7.015 6.617 0.684 1.00 0.00 H new ATOM 1825 N MET B 135 -11.003 7.469 -0.013 1.00 0.00 N ATOM 1826 CA MET B 135 -11.732 6.223 0.082 1.00 0.00 C ATOM 1827 C MET B 135 -12.831 6.143 -0.952 1.00 0.00 C ATOM 1828 O MET B 135 -13.216 5.071 -1.387 1.00 0.00 O ATOM 1829 CB MET B 135 -12.277 6.145 1.484 1.00 0.00 C ATOM 1830 CG MET B 135 -12.828 4.826 1.912 1.00 0.00 C ATOM 1831 SD MET B 135 -13.149 4.813 3.682 1.00 0.00 S ATOM 1832 CE MET B 135 -11.506 5.153 4.329 1.00 0.00 C ATOM 0 H MET B 135 -11.079 8.027 0.838 1.00 0.00 H new ATOM 0 HA MET B 135 -11.077 5.376 -0.121 1.00 0.00 H new ATOM 0 HB2 MET B 135 -11.481 6.423 2.175 1.00 0.00 H new ATOM 0 HB3 MET B 135 -13.064 6.893 1.586 1.00 0.00 H new ATOM 0 HG2 MET B 135 -13.750 4.618 1.369 1.00 0.00 H new ATOM 0 HG3 MET B 135 -12.124 4.033 1.660 1.00 0.00 H new ATOM 0 HE1 MET B 135 -11.554 5.247 5.414 1.00 0.00 H new ATOM 0 HE2 MET B 135 -10.835 4.336 4.065 1.00 0.00 H new ATOM 0 HE3 MET B 135 -11.131 6.083 3.901 1.00 0.00 H new ATOM 1842 N HIS B 136 -13.352 7.280 -1.314 1.00 0.00 N ATOM 1843 CA HIS B 136 -14.368 7.337 -2.337 1.00 0.00 C ATOM 1844 C HIS B 136 -13.766 7.566 -3.722 1.00 0.00 C ATOM 1845 O HIS B 136 -14.453 7.436 -4.726 1.00 0.00 O ATOM 1846 CB HIS B 136 -15.428 8.382 -2.012 1.00 0.00 C ATOM 1847 CG HIS B 136 -16.348 7.987 -0.884 1.00 0.00 C ATOM 1848 ND1 HIS B 136 -17.717 7.972 -1.007 1.00 0.00 N ATOM 1849 CD2 HIS B 136 -16.089 7.621 0.398 1.00 0.00 C ATOM 1850 CE1 HIS B 136 -18.264 7.624 0.138 1.00 0.00 C ATOM 1851 NE2 HIS B 136 -17.302 7.402 1.010 1.00 0.00 N ATOM 0 H HIS B 136 -13.093 8.184 -0.918 1.00 0.00 H new ATOM 0 HA HIS B 136 -14.860 6.364 -2.356 1.00 0.00 H new ATOM 0 HB2 HIS B 136 -14.934 9.319 -1.754 1.00 0.00 H new ATOM 0 HB3 HIS B 136 -16.024 8.571 -2.905 1.00 0.00 H new ATOM 0 HD2 HIS B 136 -15.114 7.521 0.852 1.00 0.00 H new ATOM 0 HE1 HIS B 136 -19.323 7.535 0.330 1.00 0.00 H new ATOM 0 HE2 HIS B 136 -17.434 7.115 1.980 1.00 0.00 H new ATOM 1860 N HIS B 137 -12.485 7.922 -3.775 1.00 0.00 N ATOM 1861 CA HIS B 137 -11.804 8.098 -5.071 1.00 0.00 C ATOM 1862 C HIS B 137 -10.916 6.903 -5.416 1.00 0.00 C ATOM 1863 O HIS B 137 -10.523 6.714 -6.568 1.00 0.00 O ATOM 1864 CB HIS B 137 -10.952 9.376 -5.095 1.00 0.00 C ATOM 1865 CG HIS B 137 -11.717 10.665 -5.220 1.00 0.00 C ATOM 1866 ND1 HIS B 137 -12.477 11.338 -4.340 1.00 0.00 N flip ATOM 1867 CD2 HIS B 137 -11.691 11.439 -6.351 1.00 0.00 C flip ATOM 1868 CE1 HIS B 137 -12.886 12.491 -4.949 1.00 0.00 C flip ATOM 1869 NE2 HIS B 137 -12.393 12.525 -6.163 1.00 0.00 N flip ATOM 0 H HIS B 137 -11.900 8.093 -2.957 1.00 0.00 H new ATOM 0 HA HIS B 137 -12.594 8.179 -5.818 1.00 0.00 H new ATOM 0 HB2 HIS B 137 -10.359 9.413 -4.181 1.00 0.00 H new ATOM 0 HB3 HIS B 137 -10.251 9.308 -5.927 1.00 0.00 H new ATOM 0 HD1 HIS B 137 -12.707 11.043 -3.391 1.00 0.00 H new ATOM 0 HD2 HIS B 137 -11.168 11.188 -7.262 1.00 0.00 H new ATOM 0 HE1 HIS B 137 -13.512 13.249 -4.503 1.00 0.00 H new ATOM 1878 N VAL B 138 -10.614 6.111 -4.426 1.00 0.00 N ATOM 1879 CA VAL B 138 -9.686 5.004 -4.545 1.00 0.00 C ATOM 1880 C VAL B 138 -10.362 3.712 -4.083 1.00 0.00 C ATOM 1881 O VAL B 138 -11.188 3.731 -3.186 1.00 0.00 O ATOM 1882 CB VAL B 138 -8.414 5.271 -3.656 1.00 0.00 C ATOM 1883 CG1 VAL B 138 -7.427 4.138 -3.714 1.00 0.00 C ATOM 1884 CG2 VAL B 138 -7.722 6.561 -4.054 1.00 0.00 C ATOM 0 H VAL B 138 -11.010 6.213 -3.492 1.00 0.00 H new ATOM 0 HA VAL B 138 -9.384 4.907 -5.588 1.00 0.00 H new ATOM 0 HB VAL B 138 -8.775 5.357 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL B 138 -6.568 4.371 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL B 138 -7.901 3.224 -3.357 1.00 0.00 H new ATOM 0 HG13 VAL B 138 -7.095 3.997 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL B 138 -6.848 6.715 -3.421 1.00 0.00 H new ATOM 0 HG22 VAL B 138 -7.409 6.499 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL B 138 -8.411 7.396 -3.931 1.00 0.00 H new ATOM 1894 N LYS B 139 -10.021 2.607 -4.721 1.00 0.00 N ATOM 1895 CA LYS B 139 -10.549 1.306 -4.338 1.00 0.00 C ATOM 1896 C LYS B 139 -9.804 0.773 -3.121 1.00 0.00 C ATOM 1897 O LYS B 139 -10.388 0.568 -2.064 1.00 0.00 O ATOM 1898 CB LYS B 139 -10.415 0.333 -5.493 1.00 0.00 C ATOM 1899 CG LYS B 139 -10.934 -1.053 -5.202 1.00 0.00 C ATOM 1900 CD LYS B 139 -10.968 -1.909 -6.440 1.00 0.00 C ATOM 1901 CE LYS B 139 -9.593 -2.250 -6.961 1.00 0.00 C ATOM 1902 NZ LYS B 139 -9.688 -3.087 -8.173 1.00 0.00 N ATOM 0 H LYS B 139 -9.377 2.583 -5.512 1.00 0.00 H new ATOM 0 HA LYS B 139 -11.603 1.416 -4.085 1.00 0.00 H new ATOM 0 HB2 LYS B 139 -10.949 0.734 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS B 139 -9.364 0.263 -5.773 1.00 0.00 H new ATOM 0 HG2 LYS B 139 -10.303 -1.527 -4.450 1.00 0.00 H new ATOM 0 HG3 LYS B 139 -11.937 -0.984 -4.780 1.00 0.00 H new ATOM 0 HD2 LYS B 139 -11.507 -2.831 -6.222 1.00 0.00 H new ATOM 0 HD3 LYS B 139 -11.527 -1.390 -7.219 1.00 0.00 H new ATOM 0 HE2 LYS B 139 -9.047 -1.334 -7.187 1.00 0.00 H new ATOM 0 HE3 LYS B 139 -9.028 -2.777 -6.192 1.00 0.00 H new ATOM 0 HZ1 LYS B 139 -8.732 -3.311 -8.516 1.00 0.00 H new ATOM 0 HZ2 LYS B 139 -10.190 -3.969 -7.947 1.00 0.00 H new ATOM 0 HZ3 LYS B 139 -10.209 -2.571 -8.911 1.00 0.00 H new ATOM 1916 N ASN B 140 -8.523 0.530 -3.295 1.00 0.00 N ATOM 1917 CA ASN B 140 -7.663 0.089 -2.243 1.00 0.00 C ATOM 1918 C ASN B 140 -6.236 0.453 -2.677 1.00 0.00 C ATOM 1919 O ASN B 140 -6.083 1.235 -3.633 1.00 0.00 O ATOM 1920 CB ASN B 140 -7.845 -1.434 -2.004 1.00 0.00 C ATOM 1921 CG ASN B 140 -7.141 -1.945 -0.737 1.00 0.00 C ATOM 1922 OD1 ASN B 140 -6.008 -2.341 -0.774 1.00 0.00 O ATOM 1923 ND2 ASN B 140 -7.803 -1.931 0.362 1.00 0.00 N ATOM 0 H ASN B 140 -8.051 0.639 -4.193 1.00 0.00 H new ATOM 0 HA ASN B 140 -7.894 0.568 -1.291 1.00 0.00 H new ATOM 0 HB2 ASN B 140 -8.909 -1.658 -1.934 1.00 0.00 H new ATOM 0 HB3 ASN B 140 -7.461 -1.977 -2.867 1.00 0.00 H new ATOM 0 HD21 ASN B 140 -7.368 -2.260 1.224 1.00 0.00 H new ATOM 0 HD22 ASN B 140 -8.765 -1.591 0.374 1.00 0.00 H new ATOM 1930 N ILE B 141 -5.243 -0.128 -2.032 1.00 0.00 N ATOM 1931 CA ILE B 141 -3.813 0.097 -2.225 1.00 0.00 C ATOM 1932 C ILE B 141 -3.437 0.219 -3.705 1.00 0.00 C ATOM 1933 O ILE B 141 -2.742 1.143 -4.083 1.00 0.00 O ATOM 1934 CB ILE B 141 -3.055 -1.111 -1.660 1.00 0.00 C ATOM 1935 CG1 ILE B 141 -3.298 -1.266 -0.161 1.00 0.00 C ATOM 1936 CG2 ILE B 141 -1.548 -1.018 -1.948 1.00 0.00 C ATOM 1937 CD1 ILE B 141 -2.728 -2.541 0.413 1.00 0.00 C ATOM 0 H ILE B 141 -5.422 -0.821 -1.305 1.00 0.00 H new ATOM 0 HA ILE B 141 -3.554 1.029 -1.722 1.00 0.00 H new ATOM 0 HB ILE B 141 -3.443 -1.996 -2.165 1.00 0.00 H new ATOM 0 HG12 ILE B 141 -2.860 -0.415 0.360 1.00 0.00 H new ATOM 0 HG13 ILE B 141 -4.371 -1.239 0.030 1.00 0.00 H new ATOM 0 HG21 ILE B 141 -1.044 -1.891 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE B 141 -1.385 -0.983 -3.025 1.00 0.00 H new ATOM 0 HG23 ILE B 141 -1.145 -0.114 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE B 141 -2.938 -2.585 1.482 1.00 0.00 H new ATOM 0 HD12 ILE B 141 -3.184 -3.399 -0.082 1.00 0.00 H new ATOM 0 HD13 ILE B 141 -1.650 -2.562 0.254 1.00 0.00 H new ATOM 1949 N ALA B 142 -3.921 -0.720 -4.528 1.00 0.00 N ATOM 1950 CA ALA B 142 -3.591 -0.745 -5.967 1.00 0.00 C ATOM 1951 C ALA B 142 -3.934 0.555 -6.679 1.00 0.00 C ATOM 1952 O ALA B 142 -3.143 1.066 -7.432 1.00 0.00 O ATOM 1953 CB ALA B 142 -4.256 -1.916 -6.650 1.00 0.00 C ATOM 0 H ALA B 142 -4.541 -1.472 -4.227 1.00 0.00 H new ATOM 0 HA ALA B 142 -2.509 -0.862 -6.033 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.998 -1.914 -7.709 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -3.913 -2.845 -6.195 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -5.337 -1.836 -6.539 1.00 0.00 H new ATOM 1959 N GLU B 143 -5.094 1.081 -6.405 1.00 0.00 N ATOM 1960 CA GLU B 143 -5.551 2.319 -7.022 1.00 0.00 C ATOM 1961 C GLU B 143 -4.826 3.495 -6.409 1.00 0.00 C ATOM 1962 O GLU B 143 -4.478 4.419 -7.097 1.00 0.00 O ATOM 1963 CB GLU B 143 -7.060 2.455 -6.849 1.00 0.00 C ATOM 1964 CG GLU B 143 -7.877 1.330 -7.481 1.00 0.00 C ATOM 1965 CD GLU B 143 -7.705 1.251 -8.961 1.00 0.00 C ATOM 1966 OE1 GLU B 143 -8.376 1.997 -9.675 1.00 0.00 O ATOM 1967 OE2 GLU B 143 -6.888 0.444 -9.429 1.00 0.00 O ATOM 0 H GLU B 143 -5.759 0.672 -5.748 1.00 0.00 H new ATOM 0 HA GLU B 143 -5.329 2.299 -8.089 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -7.288 2.497 -5.784 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -7.378 3.404 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -7.584 0.380 -7.035 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -8.932 1.479 -7.250 1.00 0.00 H new ATOM 1974 N LEU B 144 -4.573 3.421 -5.116 1.00 0.00 N ATOM 1975 CA LEU B 144 -3.846 4.471 -4.410 1.00 0.00 C ATOM 1976 C LEU B 144 -2.448 4.621 -4.979 1.00 0.00 C ATOM 1977 O LEU B 144 -2.007 5.717 -5.286 1.00 0.00 O ATOM 1978 CB LEU B 144 -3.778 4.156 -2.908 1.00 0.00 C ATOM 1979 CG LEU B 144 -2.965 5.117 -2.041 1.00 0.00 C ATOM 1980 CD1 LEU B 144 -3.424 6.550 -2.236 1.00 0.00 C ATOM 1981 CD2 LEU B 144 -3.094 4.726 -0.594 1.00 0.00 C ATOM 0 H LEU B 144 -4.861 2.641 -4.525 1.00 0.00 H new ATOM 0 HA LEU B 144 -4.379 5.412 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU B 144 -4.796 4.126 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU B 144 -3.362 3.155 -2.789 1.00 0.00 H new ATOM 0 HG LEU B 144 -1.920 5.054 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU B 144 -2.828 7.212 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU B 144 -3.299 6.833 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU B 144 -4.475 6.636 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU B 144 -2.513 5.413 0.022 1.00 0.00 H new ATOM 0 HD22 LEU B 144 -4.142 4.770 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU B 144 -2.720 3.711 -0.457 1.00 0.00 H new ATOM 1993 N ALA B 145 -1.792 3.506 -5.165 1.00 0.00 N ATOM 1994 CA ALA B 145 -0.461 3.492 -5.667 1.00 0.00 C ATOM 1995 C ALA B 145 -0.434 3.675 -7.171 1.00 0.00 C ATOM 1996 O ALA B 145 0.617 3.952 -7.752 1.00 0.00 O ATOM 1997 CB ALA B 145 0.235 2.221 -5.260 1.00 0.00 C ATOM 0 H ALA B 145 -2.176 2.582 -4.969 1.00 0.00 H new ATOM 0 HA ALA B 145 0.076 4.334 -5.231 1.00 0.00 H new ATOM 0 HB1 ALA B 145 1.253 2.222 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA B 145 0.264 2.154 -4.172 1.00 0.00 H new ATOM 0 HB3 ALA B 145 -0.307 1.365 -5.662 1.00 0.00 H new ATOM 2003 N ALA B 146 -1.585 3.522 -7.801 1.00 0.00 N ATOM 2004 CA ALA B 146 -1.683 3.726 -9.221 1.00 0.00 C ATOM 2005 C ALA B 146 -1.891 5.190 -9.499 1.00 0.00 C ATOM 2006 O ALA B 146 -1.505 5.698 -10.561 1.00 0.00 O ATOM 2007 CB ALA B 146 -2.816 2.911 -9.824 1.00 0.00 C ATOM 0 H ALA B 146 -2.459 3.258 -7.346 1.00 0.00 H new ATOM 0 HA ALA B 146 -0.755 3.390 -9.683 1.00 0.00 H new ATOM 0 HB1 ALA B 146 -2.861 3.090 -10.898 1.00 0.00 H new ATOM 0 HB2 ALA B 146 -2.640 1.851 -9.639 1.00 0.00 H new ATOM 0 HB3 ALA B 146 -3.760 3.207 -9.367 1.00 0.00 H new ATOM 2013 N LEU B 147 -2.502 5.878 -8.556 1.00 0.00 N ATOM 2014 CA LEU B 147 -2.746 7.275 -8.706 1.00 0.00 C ATOM 2015 C LEU B 147 -1.469 8.095 -8.482 1.00 0.00 C ATOM 2016 O LEU B 147 -0.491 7.614 -7.890 1.00 0.00 O ATOM 2017 CB LEU B 147 -3.869 7.770 -7.798 1.00 0.00 C ATOM 2018 CG LEU B 147 -5.259 7.186 -8.057 1.00 0.00 C ATOM 2019 CD1 LEU B 147 -6.268 7.799 -7.113 1.00 0.00 C ATOM 2020 CD2 LEU B 147 -5.691 7.393 -9.507 1.00 0.00 C ATOM 0 H LEU B 147 -2.835 5.479 -7.678 1.00 0.00 H new ATOM 0 HA LEU B 147 -3.072 7.422 -9.736 1.00 0.00 H new ATOM 0 HB2 LEU B 147 -3.594 7.554 -6.766 1.00 0.00 H new ATOM 0 HB3 LEU B 147 -3.931 8.854 -7.891 1.00 0.00 H new ATOM 0 HG LEU B 147 -5.210 6.112 -7.876 1.00 0.00 H new ATOM 0 HD11 LEU B 147 -7.253 7.375 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU B 147 -5.979 7.587 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU B 147 -6.301 8.878 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU B 147 -6.683 6.966 -9.656 1.00 0.00 H new ATOM 0 HD22 LEU B 147 -5.718 8.460 -9.730 1.00 0.00 H new ATOM 0 HD23 LEU B 147 -4.981 6.901 -10.172 1.00 0.00 H new ATOM 2032 N SER B 148 -1.473 9.301 -8.967 1.00 0.00 N ATOM 2033 CA SER B 148 -0.341 10.181 -8.863 1.00 0.00 C ATOM 2034 C SER B 148 -0.528 11.195 -7.732 1.00 0.00 C ATOM 2035 O SER B 148 -1.607 11.274 -7.111 1.00 0.00 O ATOM 2036 CB SER B 148 -0.176 10.889 -10.197 1.00 0.00 C ATOM 2037 OG SER B 148 -1.405 11.481 -10.593 1.00 0.00 O ATOM 0 H SER B 148 -2.272 9.709 -9.453 1.00 0.00 H new ATOM 0 HA SER B 148 0.553 9.604 -8.627 1.00 0.00 H new ATOM 0 HB2 SER B 148 0.596 11.654 -10.118 1.00 0.00 H new ATOM 0 HB3 SER B 148 0.155 10.179 -10.955 1.00 0.00 H new ATOM 0 HG SER B 148 -1.287 11.936 -11.453 1.00 0.00 H new ATOM 2043 N GLN B 149 0.506 12.003 -7.490 1.00 0.00 N ATOM 2044 CA GLN B 149 0.472 13.040 -6.478 1.00 0.00 C ATOM 2045 C GLN B 149 -0.502 14.114 -6.925 1.00 0.00 C ATOM 2046 O GLN B 149 -1.121 14.800 -6.109 1.00 0.00 O ATOM 2047 CB GLN B 149 1.862 13.652 -6.308 1.00 0.00 C ATOM 2048 CG GLN B 149 1.980 14.631 -5.159 1.00 0.00 C ATOM 2049 CD GLN B 149 3.328 15.326 -5.112 1.00 0.00 C ATOM 2050 OE1 GLN B 149 4.360 14.758 -5.492 1.00 0.00 O ATOM 2051 NE2 GLN B 149 3.332 16.560 -4.686 1.00 0.00 N ATOM 0 H GLN B 149 1.390 11.950 -7.997 1.00 0.00 H new ATOM 0 HA GLN B 149 0.157 12.615 -5.525 1.00 0.00 H new ATOM 0 HB2 GLN B 149 2.583 12.848 -6.160 1.00 0.00 H new ATOM 0 HB3 GLN B 149 2.137 14.161 -7.232 1.00 0.00 H new ATOM 0 HG2 GLN B 149 1.193 15.380 -5.245 1.00 0.00 H new ATOM 0 HG3 GLN B 149 1.816 14.103 -4.220 1.00 0.00 H new ATOM 0 HE21 GLN B 149 2.462 16.997 -4.380 1.00 0.00 H new ATOM 0 HE22 GLN B 149 4.205 17.087 -4.659 1.00 0.00 H new ATOM 2060 N ASP B 150 -0.657 14.219 -8.235 1.00 0.00 N ATOM 2061 CA ASP B 150 -1.558 15.181 -8.849 1.00 0.00 C ATOM 2062 C ASP B 150 -2.980 14.842 -8.432 1.00 0.00 C ATOM 2063 O ASP B 150 -3.741 15.706 -7.978 1.00 0.00 O ATOM 2064 CB ASP B 150 -1.434 15.111 -10.373 1.00 0.00 C ATOM 2065 CG ASP B 150 -2.112 16.263 -11.082 1.00 0.00 C ATOM 2066 OD1 ASP B 150 -3.341 16.283 -11.198 1.00 0.00 O ATOM 2067 OD2 ASP B 150 -1.396 17.170 -11.565 1.00 0.00 O ATOM 0 H ASP B 150 -0.158 13.635 -8.906 1.00 0.00 H new ATOM 0 HA ASP B 150 -1.303 16.190 -8.525 1.00 0.00 H new ATOM 0 HB2 ASP B 150 -0.378 15.097 -10.644 1.00 0.00 H new ATOM 0 HB3 ASP B 150 -1.866 14.173 -10.723 1.00 0.00 H new ATOM 2072 N GLU B 151 -3.299 13.552 -8.507 1.00 0.00 N ATOM 2073 CA GLU B 151 -4.603 13.053 -8.119 1.00 0.00 C ATOM 2074 C GLU B 151 -4.799 13.240 -6.631 1.00 0.00 C ATOM 2075 O GLU B 151 -5.845 13.693 -6.188 1.00 0.00 O ATOM 2076 CB GLU B 151 -4.751 11.572 -8.466 1.00 0.00 C ATOM 2077 CG GLU B 151 -4.551 11.251 -9.934 1.00 0.00 C ATOM 2078 CD GLU B 151 -5.506 11.988 -10.831 1.00 0.00 C ATOM 2079 OE1 GLU B 151 -6.647 11.549 -11.013 1.00 0.00 O ATOM 2080 OE2 GLU B 151 -5.123 13.009 -11.403 1.00 0.00 O ATOM 0 H GLU B 151 -2.659 12.830 -8.838 1.00 0.00 H new ATOM 0 HA GLU B 151 -5.359 13.615 -8.668 1.00 0.00 H new ATOM 0 HB2 GLU B 151 -4.031 11.000 -7.880 1.00 0.00 H new ATOM 0 HB3 GLU B 151 -5.744 11.238 -8.165 1.00 0.00 H new ATOM 0 HG2 GLU B 151 -3.529 11.499 -10.219 1.00 0.00 H new ATOM 0 HG3 GLU B 151 -4.673 10.178 -10.086 1.00 0.00 H new ATOM 2087 N LEU B 152 -3.764 12.927 -5.861 1.00 0.00 N ATOM 2088 CA LEU B 152 -3.824 13.057 -4.411 1.00 0.00 C ATOM 2089 C LEU B 152 -4.083 14.490 -3.988 1.00 0.00 C ATOM 2090 O LEU B 152 -4.870 14.734 -3.087 1.00 0.00 O ATOM 2091 CB LEU B 152 -2.556 12.533 -3.730 1.00 0.00 C ATOM 2092 CG LEU B 152 -2.196 11.076 -3.986 1.00 0.00 C ATOM 2093 CD1 LEU B 152 -0.954 10.685 -3.212 1.00 0.00 C ATOM 2094 CD2 LEU B 152 -3.360 10.153 -3.663 1.00 0.00 C ATOM 0 H LEU B 152 -2.873 12.581 -6.217 1.00 0.00 H new ATOM 0 HA LEU B 152 -4.662 12.441 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU B 152 -1.718 13.152 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU B 152 -2.664 12.673 -2.654 1.00 0.00 H new ATOM 0 HG LEU B 152 -1.979 10.967 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU B 152 -0.716 9.640 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU B 152 -0.119 11.313 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU B 152 -1.132 10.820 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU B 152 -3.070 9.120 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU B 152 -3.631 10.263 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU B 152 -4.215 10.413 -4.288 1.00 0.00 H new ATOM 2106 N THR B 153 -3.458 15.440 -4.657 1.00 0.00 N ATOM 2107 CA THR B 153 -3.654 16.839 -4.321 1.00 0.00 C ATOM 2108 C THR B 153 -5.098 17.239 -4.626 1.00 0.00 C ATOM 2109 O THR B 153 -5.703 18.000 -3.900 1.00 0.00 O ATOM 2110 CB THR B 153 -2.688 17.754 -5.100 1.00 0.00 C ATOM 2111 OG1 THR B 153 -1.349 17.237 -4.990 1.00 0.00 O ATOM 2112 CG2 THR B 153 -2.708 19.164 -4.521 1.00 0.00 C ATOM 0 H THR B 153 -2.815 15.272 -5.431 1.00 0.00 H new ATOM 0 HA THR B 153 -3.446 16.962 -3.258 1.00 0.00 H new ATOM 0 HB THR B 153 -3.003 17.784 -6.143 1.00 0.00 H new ATOM 0 HG1 THR B 153 -1.236 16.488 -5.612 1.00 0.00 H new ATOM 0 HG21 THR B 153 -2.021 19.797 -5.082 1.00 0.00 H new ATOM 0 HG22 THR B 153 -3.716 19.572 -4.591 1.00 0.00 H new ATOM 0 HG23 THR B 153 -2.401 19.132 -3.476 1.00 0.00 H new ATOM 2120 N SER B 154 -5.643 16.650 -5.655 1.00 0.00 N ATOM 2121 CA SER B 154 -6.963 16.910 -6.082 1.00 0.00 C ATOM 2122 C SER B 154 -7.999 16.287 -5.128 1.00 0.00 C ATOM 2123 O SER B 154 -9.109 16.795 -4.984 1.00 0.00 O ATOM 2124 CB SER B 154 -7.091 16.383 -7.483 1.00 0.00 C ATOM 2125 OG SER B 154 -6.150 17.036 -8.335 1.00 0.00 O ATOM 0 H SER B 154 -5.156 15.959 -6.226 1.00 0.00 H new ATOM 0 HA SER B 154 -7.165 17.981 -6.070 1.00 0.00 H new ATOM 0 HB2 SER B 154 -6.918 15.307 -7.493 1.00 0.00 H new ATOM 0 HB3 SER B 154 -8.104 16.547 -7.852 1.00 0.00 H new ATOM 0 HG SER B 154 -5.278 16.595 -8.259 1.00 0.00 H new ATOM 2131 N ILE B 155 -7.630 15.198 -4.485 1.00 0.00 N ATOM 2132 CA ILE B 155 -8.497 14.548 -3.521 1.00 0.00 C ATOM 2133 C ILE B 155 -8.364 15.207 -2.163 1.00 0.00 C ATOM 2134 O ILE B 155 -9.335 15.719 -1.609 1.00 0.00 O ATOM 2135 CB ILE B 155 -8.131 13.044 -3.376 1.00 0.00 C ATOM 2136 CG1 ILE B 155 -8.371 12.312 -4.700 1.00 0.00 C ATOM 2137 CG2 ILE B 155 -8.925 12.388 -2.230 1.00 0.00 C ATOM 2138 CD1 ILE B 155 -7.766 10.926 -4.760 1.00 0.00 C ATOM 0 H ILE B 155 -6.728 14.740 -4.614 1.00 0.00 H new ATOM 0 HA ILE B 155 -9.521 14.642 -3.882 1.00 0.00 H new ATOM 0 HB ILE B 155 -7.073 12.970 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE B 155 -9.445 12.235 -4.871 1.00 0.00 H new ATOM 0 HG13 ILE B 155 -7.961 12.911 -5.513 1.00 0.00 H new ATOM 0 HG21 ILE B 155 -8.649 11.336 -2.152 1.00 0.00 H new ATOM 0 HG22 ILE B 155 -8.696 12.894 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE B 155 -9.993 12.469 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE B 155 -7.981 10.477 -5.729 1.00 0.00 H new ATOM 0 HD12 ILE B 155 -6.687 10.994 -4.623 1.00 0.00 H new ATOM 0 HD13 ILE B 155 -8.194 10.308 -3.971 1.00 0.00 H new ATOM 2150 N LEU B 156 -7.151 15.242 -1.665 1.00 0.00 N ATOM 2151 CA LEU B 156 -6.892 15.694 -0.320 1.00 0.00 C ATOM 2152 C LEU B 156 -7.036 17.216 -0.243 1.00 0.00 C ATOM 2153 O LEU B 156 -7.583 17.758 0.714 1.00 0.00 O ATOM 2154 CB LEU B 156 -5.479 15.251 0.134 1.00 0.00 C ATOM 2155 CG LEU B 156 -5.030 13.807 -0.251 1.00 0.00 C ATOM 2156 CD1 LEU B 156 -3.697 13.487 0.355 1.00 0.00 C ATOM 2157 CD2 LEU B 156 -6.033 12.743 0.140 1.00 0.00 C ATOM 0 H LEU B 156 -6.318 14.958 -2.180 1.00 0.00 H new ATOM 0 HA LEU B 156 -7.621 15.243 0.353 1.00 0.00 H new ATOM 0 HB2 LEU B 156 -4.755 15.952 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU B 156 -5.428 15.344 1.219 1.00 0.00 H new ATOM 0 HG LEU B 156 -4.957 13.796 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU B 156 -3.403 12.476 0.074 1.00 0.00 H new ATOM 0 HD12 LEU B 156 -2.953 14.196 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU B 156 -3.765 13.557 1.441 1.00 0.00 H new ATOM 0 HD21 LEU B 156 -5.658 11.763 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU B 156 -6.182 12.763 1.220 1.00 0.00 H new ATOM 0 HD23 LEU B 156 -6.982 12.936 -0.361 1.00 0.00 H new ATOM 2169 N GLY B 157 -6.589 17.884 -1.278 1.00 0.00 N ATOM 2170 CA GLY B 157 -6.647 19.330 -1.341 1.00 0.00 C ATOM 2171 C GLY B 157 -5.415 19.983 -0.772 1.00 0.00 C ATOM 2172 O GLY B 157 -5.320 21.217 -0.700 1.00 0.00 O ATOM 0 H GLY B 157 -6.175 17.445 -2.100 1.00 0.00 H new ATOM 0 HA2 GLY B 157 -6.772 19.640 -2.378 1.00 0.00 H new ATOM 0 HA3 GLY B 157 -7.524 19.679 -0.796 1.00 0.00 H new ATOM 2176 N ASN B 158 -4.462 19.179 -0.374 1.00 0.00 N ATOM 2177 CA ASN B 158 -3.246 19.712 0.179 1.00 0.00 C ATOM 2178 C ASN B 158 -2.115 19.006 -0.451 1.00 0.00 C ATOM 2179 O ASN B 158 -2.040 17.766 -0.376 1.00 0.00 O ATOM 2180 CB ASN B 158 -3.112 19.504 1.706 1.00 0.00 C ATOM 2181 CG ASN B 158 -4.408 19.428 2.444 1.00 0.00 C ATOM 2182 OD1 ASN B 158 -4.994 20.431 2.825 1.00 0.00 O ATOM 2183 ND2 ASN B 158 -4.810 18.223 2.709 1.00 0.00 N ATOM 0 H ASN B 158 -4.505 18.161 -0.422 1.00 0.00 H new ATOM 0 HA ASN B 158 -3.255 20.785 -0.012 1.00 0.00 H new ATOM 0 HB2 ASN B 158 -2.553 18.585 1.886 1.00 0.00 H new ATOM 0 HB3 ASN B 158 -2.522 20.322 2.119 1.00 0.00 H new ATOM 0 HD21 ASN B 158 -5.655 18.077 3.261 1.00 0.00 H new ATOM 0 HD22 ASN B 158 -4.281 17.422 2.365 1.00 0.00 H new ATOM 2190 N ALA B 159 -1.236 19.757 -1.063 1.00 0.00 N ATOM 2191 CA ALA B 159 -0.021 19.223 -1.641 1.00 0.00 C ATOM 2192 C ALA B 159 0.830 18.588 -0.563 1.00 0.00 C ATOM 2193 O ALA B 159 1.593 17.689 -0.828 1.00 0.00 O ATOM 2194 CB ALA B 159 0.767 20.318 -2.319 1.00 0.00 C ATOM 0 H ALA B 159 -1.340 20.765 -1.177 1.00 0.00 H new ATOM 0 HA ALA B 159 -0.294 18.470 -2.381 1.00 0.00 H new ATOM 0 HB1 ALA B 159 1.677 19.899 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA B 159 0.164 20.763 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA B 159 1.029 21.083 -1.589 1.00 0.00 H new ATOM 2200 N ALA B 160 0.641 19.039 0.673 1.00 0.00 N ATOM 2201 CA ALA B 160 1.387 18.523 1.805 1.00 0.00 C ATOM 2202 C ALA B 160 1.043 17.075 2.018 1.00 0.00 C ATOM 2203 O ALA B 160 1.896 16.206 1.995 1.00 0.00 O ATOM 2204 CB ALA B 160 1.042 19.291 3.050 1.00 0.00 C ATOM 0 H ALA B 160 -0.031 19.768 0.913 1.00 0.00 H new ATOM 0 HA ALA B 160 2.452 18.629 1.597 1.00 0.00 H new ATOM 0 HB1 ALA B 160 1.609 18.893 3.892 1.00 0.00 H new ATOM 0 HB2 ALA B 160 1.291 20.343 2.909 1.00 0.00 H new ATOM 0 HB3 ALA B 160 -0.025 19.195 3.253 1.00 0.00 H new ATOM 2210 N ASN B 161 -0.237 16.829 2.167 1.00 0.00 N ATOM 2211 CA ASN B 161 -0.764 15.499 2.411 1.00 0.00 C ATOM 2212 C ASN B 161 -0.489 14.609 1.204 1.00 0.00 C ATOM 2213 O ASN B 161 -0.112 13.453 1.342 1.00 0.00 O ATOM 2214 CB ASN B 161 -2.285 15.552 2.669 1.00 0.00 C ATOM 2215 CG ASN B 161 -2.743 16.158 4.007 1.00 0.00 C ATOM 2216 OD1 ASN B 161 -3.818 15.834 4.494 1.00 0.00 O ATOM 2217 ND2 ASN B 161 -1.971 17.009 4.596 1.00 0.00 N ATOM 0 H ASN B 161 -0.954 17.553 2.122 1.00 0.00 H new ATOM 0 HA ASN B 161 -0.272 15.090 3.294 1.00 0.00 H new ATOM 0 HB2 ASN B 161 -2.746 16.122 1.863 1.00 0.00 H new ATOM 0 HB3 ASN B 161 -2.676 14.536 2.605 1.00 0.00 H new ATOM 0 HD21 ASN B 161 -2.253 17.424 5.484 1.00 0.00 H new ATOM 0 HD22 ASN B 161 -1.079 17.266 4.174 1.00 0.00 H new ATOM 2224 N ALA B 162 -0.624 15.200 0.019 1.00 0.00 N ATOM 2225 CA ALA B 162 -0.457 14.497 -1.244 1.00 0.00 C ATOM 2226 C ALA B 162 0.973 14.066 -1.439 1.00 0.00 C ATOM 2227 O ALA B 162 1.229 12.953 -1.863 1.00 0.00 O ATOM 2228 CB ALA B 162 -0.877 15.399 -2.390 1.00 0.00 C ATOM 0 H ALA B 162 -0.854 16.188 -0.089 1.00 0.00 H new ATOM 0 HA ALA B 162 -1.085 13.606 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA B 162 -0.751 14.870 -3.335 1.00 0.00 H new ATOM 0 HB2 ALA B 162 -1.923 15.679 -2.268 1.00 0.00 H new ATOM 0 HB3 ALA B 162 -0.259 16.297 -2.392 1.00 0.00 H new ATOM 2234 N LYS B 163 1.902 14.933 -1.090 1.00 0.00 N ATOM 2235 CA LYS B 163 3.283 14.661 -1.317 1.00 0.00 C ATOM 2236 C LYS B 163 3.788 13.656 -0.308 1.00 0.00 C ATOM 2237 O LYS B 163 4.556 12.768 -0.653 1.00 0.00 O ATOM 2238 CB LYS B 163 4.102 15.957 -1.304 1.00 0.00 C ATOM 2239 CG LYS B 163 5.569 15.763 -1.675 1.00 0.00 C ATOM 2240 CD LYS B 163 6.341 17.069 -1.669 1.00 0.00 C ATOM 2241 CE LYS B 163 7.722 16.907 -2.309 1.00 0.00 C ATOM 2242 NZ LYS B 163 8.537 15.850 -1.669 1.00 0.00 N ATOM 0 H LYS B 163 1.712 15.832 -0.647 1.00 0.00 H new ATOM 0 HA LYS B 163 3.402 14.221 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS B 163 3.652 16.667 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS B 163 4.044 16.402 -0.311 1.00 0.00 H new ATOM 0 HG2 LYS B 163 6.030 15.068 -0.974 1.00 0.00 H new ATOM 0 HG3 LYS B 163 5.635 15.309 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS B 163 5.776 17.829 -2.208 1.00 0.00 H new ATOM 0 HD3 LYS B 163 6.453 17.422 -0.644 1.00 0.00 H new ATOM 0 HE2 LYS B 163 7.601 16.674 -3.367 1.00 0.00 H new ATOM 0 HE3 LYS B 163 8.257 17.855 -2.251 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 9.494 15.855 -2.076 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 8.595 16.028 -0.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 8.096 14.923 -1.835 1.00 0.00 H new ATOM 2256 N GLN B 164 3.302 13.766 0.927 1.00 0.00 N ATOM 2257 CA GLN B 164 3.688 12.837 1.980 1.00 0.00 C ATOM 2258 C GLN B 164 3.246 11.427 1.649 1.00 0.00 C ATOM 2259 O GLN B 164 4.004 10.457 1.838 1.00 0.00 O ATOM 2260 CB GLN B 164 3.134 13.272 3.324 1.00 0.00 C ATOM 2261 CG GLN B 164 3.704 14.573 3.811 1.00 0.00 C ATOM 2262 CD GLN B 164 3.194 14.930 5.179 1.00 0.00 C ATOM 2263 OE1 GLN B 164 3.785 14.581 6.205 1.00 0.00 O ATOM 2264 NE2 GLN B 164 2.085 15.595 5.203 1.00 0.00 N ATOM 0 H GLN B 164 2.643 14.487 1.220 1.00 0.00 H new ATOM 0 HA GLN B 164 4.776 12.845 2.046 1.00 0.00 H new ATOM 0 HB2 GLN B 164 2.050 13.364 3.250 1.00 0.00 H new ATOM 0 HB3 GLN B 164 3.338 12.496 4.061 1.00 0.00 H new ATOM 0 HG2 GLN B 164 4.792 14.507 3.835 1.00 0.00 H new ATOM 0 HG3 GLN B 164 3.448 15.367 3.109 1.00 0.00 H new ATOM 0 HE21 GLN B 164 1.632 15.862 4.329 1.00 0.00 H new ATOM 0 HE22 GLN B 164 1.664 15.852 6.096 1.00 0.00 H new ATOM 2273 N LEU B 165 2.050 11.326 1.114 1.00 0.00 N ATOM 2274 CA LEU B 165 1.486 10.062 0.739 1.00 0.00 C ATOM 2275 C LEU B 165 2.169 9.527 -0.524 1.00 0.00 C ATOM 2276 O LEU B 165 2.607 8.381 -0.551 1.00 0.00 O ATOM 2277 CB LEU B 165 -0.032 10.203 0.570 1.00 0.00 C ATOM 2278 CG LEU B 165 -0.821 8.933 0.246 1.00 0.00 C ATOM 2279 CD1 LEU B 165 -0.544 7.849 1.278 1.00 0.00 C ATOM 2280 CD2 LEU B 165 -2.308 9.254 0.210 1.00 0.00 C ATOM 0 H LEU B 165 1.444 12.125 0.929 1.00 0.00 H new ATOM 0 HA LEU B 165 1.662 9.331 1.528 1.00 0.00 H new ATOM 0 HB2 LEU B 165 -0.436 10.626 1.490 1.00 0.00 H new ATOM 0 HB3 LEU B 165 -0.218 10.927 -0.223 1.00 0.00 H new ATOM 0 HG LEU B 165 -0.506 8.563 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU B 165 -1.115 6.955 1.029 1.00 0.00 H new ATOM 0 HD12 LEU B 165 0.520 7.612 1.280 1.00 0.00 H new ATOM 0 HD13 LEU B 165 -0.838 8.203 2.266 1.00 0.00 H new ATOM 0 HD21 LEU B 165 -2.870 8.349 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU B 165 -2.621 9.638 1.181 1.00 0.00 H new ATOM 0 HD23 LEU B 165 -2.500 10.005 -0.556 1.00 0.00 H new ATOM 2292 N TYR B 166 2.310 10.380 -1.546 1.00 0.00 N ATOM 2293 CA TYR B 166 2.973 10.011 -2.803 1.00 0.00 C ATOM 2294 C TYR B 166 4.388 9.484 -2.552 1.00 0.00 C ATOM 2295 O TYR B 166 4.808 8.456 -3.151 1.00 0.00 O ATOM 2296 CB TYR B 166 3.017 11.222 -3.726 1.00 0.00 C ATOM 2297 CG TYR B 166 3.769 11.036 -5.019 1.00 0.00 C ATOM 2298 CD1 TYR B 166 3.172 10.445 -6.120 1.00 0.00 C ATOM 2299 CD2 TYR B 166 5.070 11.493 -5.147 1.00 0.00 C ATOM 2300 CE1 TYR B 166 3.854 10.321 -7.312 1.00 0.00 C ATOM 2301 CE2 TYR B 166 5.758 11.363 -6.324 1.00 0.00 C ATOM 2302 CZ TYR B 166 5.150 10.781 -7.406 1.00 0.00 C ATOM 2303 OH TYR B 166 5.831 10.677 -8.595 1.00 0.00 O ATOM 0 H TYR B 166 1.969 11.341 -1.526 1.00 0.00 H new ATOM 0 HA TYR B 166 2.402 9.212 -3.275 1.00 0.00 H new ATOM 0 HB2 TYR B 166 1.993 11.512 -3.962 1.00 0.00 H new ATOM 0 HB3 TYR B 166 3.467 12.053 -3.183 1.00 0.00 H new ATOM 0 HD1 TYR B 166 2.160 10.077 -6.044 1.00 0.00 H new ATOM 0 HD2 TYR B 166 5.552 11.961 -4.302 1.00 0.00 H new ATOM 0 HE1 TYR B 166 3.376 9.866 -8.167 1.00 0.00 H new ATOM 0 HE2 TYR B 166 6.775 11.718 -6.399 1.00 0.00 H new ATOM 0 HH TYR B 166 6.731 11.050 -8.490 1.00 0.00 H new ATOM 2313 N ASP B 167 5.106 10.181 -1.685 1.00 0.00 N ATOM 2314 CA ASP B 167 6.459 9.809 -1.285 1.00 0.00 C ATOM 2315 C ASP B 167 6.440 8.441 -0.646 1.00 0.00 C ATOM 2316 O ASP B 167 7.212 7.567 -1.014 1.00 0.00 O ATOM 2317 CB ASP B 167 7.022 10.833 -0.290 1.00 0.00 C ATOM 2318 CG ASP B 167 8.420 10.508 0.205 1.00 0.00 C ATOM 2319 OD1 ASP B 167 8.574 9.611 1.084 1.00 0.00 O ATOM 2320 OD2 ASP B 167 9.380 11.169 -0.229 1.00 0.00 O ATOM 0 H ASP B 167 4.765 11.030 -1.233 1.00 0.00 H new ATOM 0 HA ASP B 167 7.095 9.791 -2.170 1.00 0.00 H new ATOM 0 HB2 ASP B 167 7.034 11.815 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP B 167 6.351 10.900 0.566 1.00 0.00 H new ATOM 2325 N PHE B 168 5.505 8.248 0.265 1.00 0.00 N ATOM 2326 CA PHE B 168 5.355 7.003 0.997 1.00 0.00 C ATOM 2327 C PHE B 168 5.052 5.833 0.062 1.00 0.00 C ATOM 2328 O PHE B 168 5.426 4.726 0.338 1.00 0.00 O ATOM 2329 CB PHE B 168 4.293 7.144 2.086 1.00 0.00 C ATOM 2330 CG PHE B 168 4.148 5.937 2.970 1.00 0.00 C ATOM 2331 CD1 PHE B 168 5.202 5.520 3.773 1.00 0.00 C ATOM 2332 CD2 PHE B 168 2.958 5.232 3.015 1.00 0.00 C ATOM 2333 CE1 PHE B 168 5.071 4.423 4.597 1.00 0.00 C ATOM 2334 CE2 PHE B 168 2.824 4.135 3.837 1.00 0.00 C ATOM 2335 CZ PHE B 168 3.883 3.731 4.629 1.00 0.00 C ATOM 0 H PHE B 168 4.820 8.959 0.521 1.00 0.00 H new ATOM 0 HA PHE B 168 6.306 6.782 1.482 1.00 0.00 H new ATOM 0 HB2 PHE B 168 4.538 8.006 2.706 1.00 0.00 H new ATOM 0 HB3 PHE B 168 3.332 7.352 1.615 1.00 0.00 H new ATOM 0 HD1 PHE B 168 6.136 6.062 3.751 1.00 0.00 H new ATOM 0 HD2 PHE B 168 2.127 5.545 2.400 1.00 0.00 H new ATOM 0 HE1 PHE B 168 5.898 4.108 5.215 1.00 0.00 H new ATOM 0 HE2 PHE B 168 1.892 3.590 3.863 1.00 0.00 H new ATOM 0 HZ PHE B 168 3.777 2.871 5.274 1.00 0.00 H new ATOM 2345 N ILE B 169 4.350 6.107 -1.017 1.00 0.00 N ATOM 2346 CA ILE B 169 4.024 5.109 -2.050 1.00 0.00 C ATOM 2347 C ILE B 169 5.270 4.721 -2.900 1.00 0.00 C ATOM 2348 O ILE B 169 5.403 3.566 -3.377 1.00 0.00 O ATOM 2349 CB ILE B 169 2.927 5.679 -2.996 1.00 0.00 C ATOM 2350 CG1 ILE B 169 1.635 5.938 -2.225 1.00 0.00 C ATOM 2351 CG2 ILE B 169 2.668 4.758 -4.187 1.00 0.00 C ATOM 2352 CD1 ILE B 169 0.588 6.662 -3.034 1.00 0.00 C ATOM 0 H ILE B 169 3.979 7.036 -1.217 1.00 0.00 H new ATOM 0 HA ILE B 169 3.667 4.214 -1.541 1.00 0.00 H new ATOM 0 HB ILE B 169 3.296 6.626 -3.391 1.00 0.00 H new ATOM 0 HG12 ILE B 169 1.227 4.986 -1.885 1.00 0.00 H new ATOM 0 HG13 ILE B 169 1.864 6.523 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE B 169 1.896 5.193 -4.822 1.00 0.00 H new ATOM 0 HG22 ILE B 169 3.586 4.640 -4.762 1.00 0.00 H new ATOM 0 HG23 ILE B 169 2.336 3.784 -3.828 1.00 0.00 H new ATOM 0 HD11 ILE B 169 -0.303 6.813 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE B 169 0.978 7.629 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE B 169 0.331 6.068 -3.911 1.00 0.00 H new ATOM 2364 N HIS B 170 6.166 5.679 -3.095 1.00 0.00 N ATOM 2365 CA HIS B 170 7.329 5.480 -3.989 1.00 0.00 C ATOM 2366 C HIS B 170 8.662 5.169 -3.304 1.00 0.00 C ATOM 2367 O HIS B 170 9.429 4.371 -3.832 1.00 0.00 O ATOM 2368 CB HIS B 170 7.480 6.642 -4.968 1.00 0.00 C ATOM 2369 CG HIS B 170 6.411 6.658 -6.000 1.00 0.00 C ATOM 2370 ND1 HIS B 170 5.175 7.225 -5.795 1.00 0.00 N ATOM 2371 CD2 HIS B 170 6.364 6.097 -7.226 1.00 0.00 C ATOM 2372 CE1 HIS B 170 4.418 6.995 -6.853 1.00 0.00 C ATOM 2373 NE2 HIS B 170 5.118 6.317 -7.728 1.00 0.00 N ATOM 0 H HIS B 170 6.123 6.599 -2.656 1.00 0.00 H new ATOM 0 HA HIS B 170 7.086 4.566 -4.531 1.00 0.00 H new ATOM 0 HB2 HIS B 170 7.463 7.582 -4.417 1.00 0.00 H new ATOM 0 HB3 HIS B 170 8.452 6.577 -5.457 1.00 0.00 H new ATOM 0 HD1 HIS B 170 4.889 7.739 -4.962 1.00 0.00 H new ATOM 0 HD2 HIS B 170 7.168 5.570 -7.719 1.00 0.00 H new ATOM 0 HE1 HIS B 170 3.393 7.313 -6.976 1.00 0.00 H new ATOM 2382 N THR B 171 8.929 5.792 -2.172 1.00 0.00 N ATOM 2383 CA THR B 171 10.172 5.615 -1.425 1.00 0.00 C ATOM 2384 C THR B 171 10.432 4.159 -1.044 1.00 0.00 C ATOM 2385 O THR B 171 9.759 3.605 -0.189 1.00 0.00 O ATOM 2386 CB THR B 171 10.170 6.510 -0.167 1.00 0.00 C ATOM 2387 OG1 THR B 171 10.204 7.896 -0.561 1.00 0.00 O ATOM 2388 CG2 THR B 171 11.340 6.190 0.765 1.00 0.00 C ATOM 0 H THR B 171 8.282 6.447 -1.734 1.00 0.00 H new ATOM 0 HA THR B 171 10.986 5.916 -2.085 1.00 0.00 H new ATOM 0 HB THR B 171 9.254 6.310 0.389 1.00 0.00 H new ATOM 0 HG1 THR B 171 9.702 8.433 0.087 1.00 0.00 H new ATOM 0 HG21 THR B 171 11.300 6.843 1.637 1.00 0.00 H new ATOM 0 HG22 THR B 171 11.275 5.151 1.087 1.00 0.00 H new ATOM 0 HG23 THR B 171 12.280 6.348 0.236 1.00 0.00 H new ATOM 2396 N SER B 172 11.428 3.588 -1.679 1.00 0.00 N ATOM 2397 CA SER B 172 11.815 2.202 -1.500 1.00 0.00 C ATOM 2398 C SER B 172 12.096 1.883 -0.014 1.00 0.00 C ATOM 2399 O SER B 172 12.622 2.740 0.732 1.00 0.00 O ATOM 2400 CB SER B 172 13.060 1.914 -2.342 1.00 0.00 C ATOM 2401 OG SER B 172 12.934 2.453 -3.658 1.00 0.00 O ATOM 0 H SER B 172 12.010 4.085 -2.354 1.00 0.00 H new ATOM 0 HA SER B 172 10.991 1.567 -1.826 1.00 0.00 H new ATOM 0 HB2 SER B 172 13.937 2.340 -1.855 1.00 0.00 H new ATOM 0 HB3 SER B 172 13.220 0.837 -2.402 1.00 0.00 H new ATOM 0 HG SER B 172 13.745 2.255 -4.172 1.00 0.00 H new ATOM 2407 N PHE B 173 11.785 0.651 0.401 1.00 0.00 N ATOM 2408 CA PHE B 173 11.934 0.206 1.810 1.00 0.00 C ATOM 2409 C PHE B 173 13.372 0.389 2.299 1.00 0.00 C ATOM 2410 O PHE B 173 13.621 0.617 3.486 1.00 0.00 O ATOM 2411 CB PHE B 173 11.554 -1.279 1.955 1.00 0.00 C ATOM 2412 CG PHE B 173 10.261 -1.655 1.290 1.00 0.00 C ATOM 2413 CD1 PHE B 173 9.037 -1.393 1.887 1.00 0.00 C ATOM 2414 CD2 PHE B 173 10.277 -2.255 0.045 1.00 0.00 C ATOM 2415 CE1 PHE B 173 7.865 -1.723 1.244 1.00 0.00 C ATOM 2416 CE2 PHE B 173 9.112 -2.585 -0.598 1.00 0.00 C ATOM 2417 CZ PHE B 173 7.902 -2.317 -0.003 1.00 0.00 C ATOM 0 H PHE B 173 11.423 -0.072 -0.221 1.00 0.00 H new ATOM 0 HA PHE B 173 11.266 0.821 2.413 1.00 0.00 H new ATOM 0 HB2 PHE B 173 12.355 -1.889 1.537 1.00 0.00 H new ATOM 0 HB3 PHE B 173 11.488 -1.523 3.015 1.00 0.00 H new ATOM 0 HD1 PHE B 173 9.003 -0.928 2.861 1.00 0.00 H new ATOM 0 HD2 PHE B 173 11.224 -2.468 -0.430 1.00 0.00 H new ATOM 0 HE1 PHE B 173 6.915 -1.517 1.715 1.00 0.00 H new ATOM 0 HE2 PHE B 173 9.145 -3.055 -1.570 1.00 0.00 H new ATOM 0 HZ PHE B 173 6.982 -2.570 -0.509 1.00 0.00 H new