USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=31 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 -170:sc= -1 USER MOD Set 1.2: B 135 MET CE :methyl -116:sc= -1.98! (180deg=-3.42!) USER MOD Set 2.1: B 127 ASN :FLIP amide:sc= -0.0123 F(o=-2.5,f=-1.8) USER MOD Set 2.2: B 130 ASN : amide:sc= -1.03 K(o=-1.8,f=-11!) USER MOD Set 2.3: B 161 ASN : amide:sc= -0.741 K(o=-1.8,f=-8.8!) USER MOD Set 3.1: A 72 SER OG : rot 180:sc= 0.708 USER MOD Set 3.2: B 139 LYS NZ :NH3+ 158:sc= 1.21 (180deg=-0.221) USER MOD Set 4.1: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 70 HIS : no HD1:sc= 0.115 K(o=0.12,f=-1.2) USER MOD Set 5.1: A 27 ASN :FLIP amide:sc= 0 F(o=-2.1,f=-1.4) USER MOD Set 5.2: A 30 ASN : amide:sc= -0.626 K(o=-1.4,f=-12!) USER MOD Set 5.3: A 61 ASN : amide:sc= -0.782 K(o=-1.4,f=-10!) USER MOD Set 6.1: A 31 CYS SG : rot -150:sc= -0.862 USER MOD Set 6.2: A 35 MET CE :methyl -135:sc= -1.29 (180deg=-1.78!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= 0.841 (180deg=-0.00397) USER MOD Single : A 23 MET CE :methyl 149:sc= -0.0177 (180deg=-0.185) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 89:sc= 0.586 USER MOD Single : A 36 HIS : no HD1:sc= -0.0165 X(o=-0.017,f=0) USER MOD Single : A 37 HIS :FLIP no HE2:sc= 0.176 F(o=-0.64,f=0.18) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.66! C(o=-2.7!,f=-5.3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0304 X(o=-0.03,f=-0.46) USER MOD Single : A 53 THR OG1 : rot 61:sc= 0.914 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc=-0.000236 (180deg=-0.105) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 69:sc= 1.27 USER MOD Single : B 117 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 122 LYS NZ :NH3+ -172:sc= 0.872 (180deg=0.621) USER MOD Single : B 123 MET CE :methyl 158:sc= -1.14 (180deg=-2.45) USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 133 SER OG : rot 85:sc= 0.977 USER MOD Single : B 136 HIS : no HD1:sc=-0.00839 X(o=-0.0084,f=0) USER MOD Single : B 137 HIS : no HD1:sc= -0.325 X(o=-0.32,f=0.072) USER MOD Single : B 140 ASN : amide:sc= -3.48! C(o=-3.5!,f=-5.1!) USER MOD Single : B 148 SER OG : rot 180:sc= 0 USER MOD Single : B 149 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.18) USER MOD Single : B 153 THR OG1 : rot 65:sc= 1.1 USER MOD Single : B 154 SER OG : rot 79:sc= 1.21 USER MOD Single : B 158 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.0017) USER MOD Single : B 163 LYS NZ :NH3+ 173:sc=-0.00141 (180deg=-0.0685) USER MOD Single : B 164 GLN :FLIP amide:sc= -0.323 F(o=-3.3!,f=-0.32) USER MOD Single : B 166 TYR OH : rot 180:sc= 0 USER MOD Single : B 170 HIS :FLIP no HE2:sc= 0.159 F(o=-1.5,f=0.16) USER MOD Single : B 171 THR OG1 : rot 146:sc= 0.487 USER MOD Single : B 172 SER OG : rot 180:sc= -0.457 USER MOD ----------------------------------------------------------------- ATOM 217 N GLY A 15 8.900 2.630 8.533 1.00 0.00 N ATOM 218 CA GLY A 15 7.711 3.037 7.783 1.00 0.00 C ATOM 219 C GLY A 15 7.309 2.051 6.699 1.00 0.00 C ATOM 220 O GLY A 15 6.324 1.338 6.862 1.00 0.00 O ATOM 0 HA2 GLY A 15 6.879 3.161 8.476 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.894 4.010 7.328 1.00 0.00 H new ATOM 224 N PRO A 16 8.064 1.974 5.605 1.00 0.00 N ATOM 225 CA PRO A 16 7.775 1.049 4.500 1.00 0.00 C ATOM 226 C PRO A 16 7.989 -0.459 4.899 1.00 0.00 C ATOM 227 O PRO A 16 7.164 -1.335 4.564 1.00 0.00 O ATOM 228 CB PRO A 16 8.773 1.523 3.409 1.00 0.00 C ATOM 229 CG PRO A 16 9.891 2.115 4.178 1.00 0.00 C ATOM 230 CD PRO A 16 9.244 2.818 5.323 1.00 0.00 C ATOM 0 HA PRO A 16 6.734 1.074 4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.111 0.692 2.789 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.317 2.254 2.741 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.581 1.346 4.526 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.468 2.807 3.565 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.909 2.884 6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.959 3.837 5.062 1.00 0.00 H new ATOM 238 N GLN A 17 9.054 -0.739 5.667 1.00 0.00 N ATOM 239 CA GLN A 17 9.402 -2.118 6.077 1.00 0.00 C ATOM 240 C GLN A 17 8.284 -2.762 6.907 1.00 0.00 C ATOM 241 O GLN A 17 7.737 -3.826 6.558 1.00 0.00 O ATOM 242 CB GLN A 17 10.687 -2.117 6.905 1.00 0.00 C ATOM 243 CG GLN A 17 11.033 -3.486 7.482 1.00 0.00 C ATOM 244 CD GLN A 17 12.138 -3.451 8.508 1.00 0.00 C ATOM 245 OE1 GLN A 17 12.331 -2.455 9.223 1.00 0.00 O ATOM 246 NE2 GLN A 17 12.845 -4.531 8.626 1.00 0.00 N ATOM 0 H GLN A 17 9.695 -0.028 6.020 1.00 0.00 H new ATOM 0 HA GLN A 17 9.542 -2.698 5.165 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.513 -1.774 6.282 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.585 -1.402 7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.140 -3.915 7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.326 -4.150 6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.659 -5.331 8.021 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.588 -4.581 9.324 1.00 0.00 H new ATOM 255 N ASP A 18 7.935 -2.100 7.987 1.00 0.00 N ATOM 256 CA ASP A 18 6.919 -2.582 8.918 1.00 0.00 C ATOM 257 C ASP A 18 5.575 -2.575 8.237 1.00 0.00 C ATOM 258 O ASP A 18 4.662 -3.316 8.610 1.00 0.00 O ATOM 259 CB ASP A 18 6.883 -1.764 10.217 1.00 0.00 C ATOM 260 CG ASP A 18 6.039 -2.407 11.301 1.00 0.00 C ATOM 261 OD1 ASP A 18 6.584 -3.219 12.085 1.00 0.00 O ATOM 262 OD2 ASP A 18 4.824 -2.113 11.407 1.00 0.00 O ATOM 0 H ASP A 18 8.346 -1.205 8.253 1.00 0.00 H new ATOM 0 HA ASP A 18 7.177 -3.602 9.204 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.900 -1.634 10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.492 -0.769 10.002 1.00 0.00 H new ATOM 267 N PHE A 19 5.431 -1.690 7.248 1.00 0.00 N ATOM 268 CA PHE A 19 4.189 -1.557 6.514 1.00 0.00 C ATOM 269 C PHE A 19 3.880 -2.866 5.809 1.00 0.00 C ATOM 270 O PHE A 19 2.732 -3.260 5.703 1.00 0.00 O ATOM 271 CB PHE A 19 4.288 -0.426 5.512 1.00 0.00 C ATOM 272 CG PHE A 19 2.983 0.059 5.012 1.00 0.00 C ATOM 273 CD1 PHE A 19 2.109 0.701 5.874 1.00 0.00 C ATOM 274 CD2 PHE A 19 2.625 -0.109 3.697 1.00 0.00 C ATOM 275 CE1 PHE A 19 0.904 1.173 5.428 1.00 0.00 C ATOM 276 CE2 PHE A 19 1.415 0.365 3.242 1.00 0.00 C ATOM 277 CZ PHE A 19 0.557 1.006 4.113 1.00 0.00 C ATOM 0 H PHE A 19 6.169 -1.055 6.942 1.00 0.00 H new ATOM 0 HA PHE A 19 3.382 -1.325 7.209 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.820 0.407 5.973 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.888 -0.758 4.665 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.382 0.831 6.911 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.295 -0.615 3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.231 1.674 6.108 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.138 0.236 2.206 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.392 1.378 3.756 1.00 0.00 H new ATOM 287 N LEU A 20 4.922 -3.533 5.352 1.00 0.00 N ATOM 288 CA LEU A 20 4.785 -4.845 4.754 1.00 0.00 C ATOM 289 C LEU A 20 4.418 -5.858 5.794 1.00 0.00 C ATOM 290 O LEU A 20 3.451 -6.562 5.653 1.00 0.00 O ATOM 291 CB LEU A 20 6.081 -5.304 4.130 1.00 0.00 C ATOM 292 CG LEU A 20 6.621 -4.488 3.001 1.00 0.00 C ATOM 293 CD1 LEU A 20 7.916 -5.100 2.523 1.00 0.00 C ATOM 294 CD2 LEU A 20 5.612 -4.413 1.874 1.00 0.00 C ATOM 0 H LEU A 20 5.880 -3.184 5.384 1.00 0.00 H new ATOM 0 HA LEU A 20 4.009 -4.763 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.839 -5.341 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.941 -6.324 3.773 1.00 0.00 H new ATOM 0 HG LEU A 20 6.813 -3.472 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.315 -4.509 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.636 -5.114 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.733 -6.119 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.020 -3.815 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.394 -5.418 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.694 -3.952 2.238 1.00 0.00 H new ATOM 306 N LEU A 21 5.188 -5.890 6.865 1.00 0.00 N ATOM 307 CA LEU A 21 5.052 -6.918 7.914 1.00 0.00 C ATOM 308 C LEU A 21 3.678 -6.961 8.588 1.00 0.00 C ATOM 309 O LEU A 21 3.333 -7.946 9.239 1.00 0.00 O ATOM 310 CB LEU A 21 6.147 -6.773 8.949 1.00 0.00 C ATOM 311 CG LEU A 21 7.574 -6.917 8.427 1.00 0.00 C ATOM 312 CD1 LEU A 21 8.577 -6.621 9.527 1.00 0.00 C ATOM 313 CD2 LEU A 21 7.800 -8.317 7.886 1.00 0.00 C ATOM 0 H LEU A 21 5.928 -5.212 7.045 1.00 0.00 H new ATOM 0 HA LEU A 21 5.154 -7.873 7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.049 -5.795 9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.987 -7.519 9.727 1.00 0.00 H new ATOM 0 HG LEU A 21 7.716 -6.198 7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.589 -6.729 9.136 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.433 -5.602 9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.430 -7.320 10.351 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.822 -8.404 7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.638 -9.045 8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.103 -8.509 7.070 1.00 0.00 H new ATOM 325 N LYS A 22 2.903 -5.923 8.426 1.00 0.00 N ATOM 326 CA LYS A 22 1.579 -5.897 9.006 1.00 0.00 C ATOM 327 C LYS A 22 0.530 -6.365 8.012 1.00 0.00 C ATOM 328 O LYS A 22 -0.631 -6.563 8.374 1.00 0.00 O ATOM 329 CB LYS A 22 1.223 -4.520 9.505 1.00 0.00 C ATOM 330 CG LYS A 22 1.245 -3.467 8.442 1.00 0.00 C ATOM 331 CD LYS A 22 0.659 -2.194 8.946 1.00 0.00 C ATOM 332 CE LYS A 22 1.455 -1.603 10.117 1.00 0.00 C ATOM 333 NZ LYS A 22 2.872 -1.338 9.786 1.00 0.00 N ATOM 0 H LYS A 22 3.159 -5.087 7.901 1.00 0.00 H new ATOM 0 HA LYS A 22 1.592 -6.583 9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.229 -4.551 9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.919 -4.239 10.296 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.270 -3.296 8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.686 -3.811 7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.622 -1.468 8.133 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.369 -2.371 9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.983 -0.673 10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.409 -2.290 10.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.427 -1.270 10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.243 -2.114 9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.944 -0.443 9.260 1.00 0.00 H new ATOM 347 N MET A 23 0.932 -6.550 6.772 1.00 0.00 N ATOM 348 CA MET A 23 -0.001 -6.927 5.736 1.00 0.00 C ATOM 349 C MET A 23 -0.301 -8.424 5.827 1.00 0.00 C ATOM 350 O MET A 23 0.622 -9.232 6.025 1.00 0.00 O ATOM 351 CB MET A 23 0.550 -6.637 4.329 1.00 0.00 C ATOM 352 CG MET A 23 0.950 -5.204 4.041 1.00 0.00 C ATOM 353 SD MET A 23 1.441 -4.998 2.311 1.00 0.00 S ATOM 354 CE MET A 23 1.869 -3.270 2.247 1.00 0.00 C ATOM 0 H MET A 23 1.897 -6.445 6.459 1.00 0.00 H new ATOM 0 HA MET A 23 -0.904 -6.336 5.890 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.420 -7.273 4.166 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.204 -6.934 3.600 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.117 -4.538 4.267 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.775 -4.916 4.693 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.655 -3.117 1.507 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.991 -2.688 1.969 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.224 -2.947 3.226 1.00 0.00 H new ATOM 364 N PRO A 24 -1.576 -8.823 5.695 1.00 0.00 N ATOM 365 CA PRO A 24 -1.950 -10.234 5.698 1.00 0.00 C ATOM 366 C PRO A 24 -1.326 -10.961 4.502 1.00 0.00 C ATOM 367 O PRO A 24 -1.574 -10.614 3.356 1.00 0.00 O ATOM 368 CB PRO A 24 -3.484 -10.217 5.581 1.00 0.00 C ATOM 369 CG PRO A 24 -3.827 -8.862 5.069 1.00 0.00 C ATOM 370 CD PRO A 24 -2.740 -7.938 5.541 1.00 0.00 C ATOM 0 HA PRO A 24 -1.604 -10.757 6.590 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.835 -10.994 4.902 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.954 -10.402 6.547 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.889 -8.863 3.981 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.799 -8.541 5.444 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.547 -7.144 4.819 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.004 -7.456 6.482 1.00 0.00 H new ATOM 378 N GLY A 25 -0.494 -11.929 4.783 1.00 0.00 N ATOM 379 CA GLY A 25 0.179 -12.656 3.754 1.00 0.00 C ATOM 380 C GLY A 25 1.677 -12.467 3.862 1.00 0.00 C ATOM 381 O GLY A 25 2.457 -13.230 3.302 1.00 0.00 O ATOM 0 H GLY A 25 -0.268 -12.231 5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.066 -13.715 3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.166 -12.318 2.777 1.00 0.00 H new ATOM 385 N VAL A 26 2.078 -11.469 4.609 1.00 0.00 N ATOM 386 CA VAL A 26 3.471 -11.141 4.749 1.00 0.00 C ATOM 387 C VAL A 26 4.071 -11.734 6.023 1.00 0.00 C ATOM 388 O VAL A 26 3.435 -11.780 7.082 1.00 0.00 O ATOM 389 CB VAL A 26 3.701 -9.599 4.696 1.00 0.00 C ATOM 390 CG1 VAL A 26 5.169 -9.229 4.924 1.00 0.00 C ATOM 391 CG2 VAL A 26 3.224 -9.047 3.360 1.00 0.00 C ATOM 0 H VAL A 26 1.448 -10.863 5.135 1.00 0.00 H new ATOM 0 HA VAL A 26 3.988 -11.590 3.901 1.00 0.00 H new ATOM 0 HB VAL A 26 3.122 -9.152 5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.283 -8.146 4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.486 -9.586 5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.785 -9.691 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.388 -7.970 3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.781 -9.520 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.161 -9.255 3.239 1.00 0.00 H new ATOM 401 N ASN A 27 5.272 -12.214 5.877 1.00 0.00 N ATOM 402 CA ASN A 27 6.099 -12.739 6.949 1.00 0.00 C ATOM 403 C ASN A 27 7.460 -12.156 6.710 1.00 0.00 C ATOM 404 O ASN A 27 7.744 -11.773 5.590 1.00 0.00 O ATOM 405 CB ASN A 27 6.237 -14.276 6.899 1.00 0.00 C ATOM 406 CG ASN A 27 4.956 -15.050 7.063 1.00 0.00 C ATOM 407 OD1 ASN A 27 4.362 -15.419 5.967 1.00 0.00 O flip ATOM 408 ND2 ASN A 27 4.544 -15.372 8.177 1.00 0.00 N flip ATOM 0 H ASN A 27 5.732 -12.256 4.968 1.00 0.00 H new ATOM 0 HA ASN A 27 5.656 -12.485 7.912 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.687 -14.552 5.945 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.931 -14.586 7.681 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.039 -15.062 9.013 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.708 -15.949 8.264 1.00 0.00 H new ATOM 415 N ALA A 28 8.309 -12.128 7.702 1.00 0.00 N ATOM 416 CA ALA A 28 9.651 -11.562 7.568 1.00 0.00 C ATOM 417 C ALA A 28 10.455 -12.266 6.468 1.00 0.00 C ATOM 418 O ALA A 28 11.237 -11.632 5.751 1.00 0.00 O ATOM 419 CB ALA A 28 10.388 -11.615 8.899 1.00 0.00 C ATOM 0 H ALA A 28 8.103 -12.494 8.632 1.00 0.00 H new ATOM 0 HA ALA A 28 9.543 -10.518 7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.385 -11.190 8.780 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.835 -11.042 9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.472 -12.651 9.227 1.00 0.00 H new ATOM 425 N LYS A 29 10.178 -13.546 6.272 1.00 0.00 N ATOM 426 CA LYS A 29 10.892 -14.348 5.293 1.00 0.00 C ATOM 427 C LYS A 29 10.528 -13.903 3.876 1.00 0.00 C ATOM 428 O LYS A 29 11.398 -13.678 2.994 1.00 0.00 O ATOM 429 CB LYS A 29 10.583 -15.846 5.520 1.00 0.00 C ATOM 430 CG LYS A 29 9.085 -16.199 5.486 1.00 0.00 C ATOM 431 CD LYS A 29 8.816 -17.662 5.805 1.00 0.00 C ATOM 432 CE LYS A 29 9.419 -18.589 4.770 1.00 0.00 C ATOM 433 NZ LYS A 29 9.119 -19.999 5.062 1.00 0.00 N ATOM 0 H LYS A 29 9.457 -14.054 6.784 1.00 0.00 H new ATOM 0 HA LYS A 29 11.965 -14.203 5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.099 -16.430 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.993 -16.147 6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.553 -15.572 6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.684 -15.968 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.225 -17.900 6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.740 -17.829 5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.034 -18.332 3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.499 -18.446 4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.548 -20.603 4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.508 -20.251 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.089 -20.141 5.067 1.00 0.00 H new ATOM 447 N ASN A 30 9.271 -13.673 3.674 1.00 0.00 N ATOM 448 CA ASN A 30 8.828 -13.323 2.374 1.00 0.00 C ATOM 449 C ASN A 30 8.944 -11.836 2.164 1.00 0.00 C ATOM 450 O ASN A 30 8.970 -11.382 1.063 1.00 0.00 O ATOM 451 CB ASN A 30 7.421 -13.879 2.046 1.00 0.00 C ATOM 452 CG ASN A 30 6.241 -13.274 2.831 1.00 0.00 C ATOM 453 OD1 ASN A 30 6.253 -12.136 3.249 1.00 0.00 O ATOM 454 ND2 ASN A 30 5.212 -14.048 3.025 1.00 0.00 N ATOM 0 H ASN A 30 8.544 -13.722 4.387 1.00 0.00 H new ATOM 0 HA ASN A 30 9.488 -13.807 1.655 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.235 -13.730 0.982 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.430 -14.955 2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.400 -13.699 3.535 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.217 -15.003 2.667 1.00 0.00 H new ATOM 461 N CYS A 31 9.059 -11.108 3.254 1.00 0.00 N ATOM 462 CA CYS A 31 9.237 -9.675 3.246 1.00 0.00 C ATOM 463 C CYS A 31 10.627 -9.332 2.789 1.00 0.00 C ATOM 464 O CYS A 31 10.798 -8.443 1.997 1.00 0.00 O ATOM 465 CB CYS A 31 8.996 -9.093 4.633 1.00 0.00 C ATOM 466 SG CYS A 31 9.196 -7.310 4.775 1.00 0.00 S ATOM 0 H CYS A 31 9.030 -11.508 4.192 1.00 0.00 H new ATOM 0 HA CYS A 31 8.511 -9.244 2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.985 -9.353 4.946 1.00 0.00 H new ATOM 0 HB3 CYS A 31 9.679 -9.574 5.333 1.00 0.00 H new ATOM 0 HG CYS A 31 9.592 -7.012 5.977 1.00 0.00 H new ATOM 472 N ARG A 32 11.626 -10.050 3.287 1.00 0.00 N ATOM 473 CA ARG A 32 12.998 -9.811 2.865 1.00 0.00 C ATOM 474 C ARG A 32 13.132 -10.129 1.379 1.00 0.00 C ATOM 475 O ARG A 32 13.733 -9.363 0.595 1.00 0.00 O ATOM 476 CB ARG A 32 13.987 -10.621 3.731 1.00 0.00 C ATOM 477 CG ARG A 32 13.893 -12.137 3.625 1.00 0.00 C ATOM 478 CD ARG A 32 14.948 -12.691 2.668 1.00 0.00 C ATOM 479 NE ARG A 32 14.949 -14.156 2.610 1.00 0.00 N ATOM 480 CZ ARG A 32 15.761 -14.889 1.828 1.00 0.00 C ATOM 481 NH1 ARG A 32 16.568 -14.296 0.954 1.00 0.00 N ATOM 482 NH2 ARG A 32 15.746 -16.208 1.916 1.00 0.00 N ATOM 0 H ARG A 32 11.513 -10.794 3.976 1.00 0.00 H new ATOM 0 HA ARG A 32 13.249 -8.760 3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.000 -10.322 3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.837 -10.341 4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 32 14.024 -12.582 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.899 -12.419 3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.771 -12.293 1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.933 -12.344 2.980 1.00 0.00 H new ATOM 0 HE ARG A 32 14.287 -14.654 3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.574 -13.279 0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.182 -14.858 0.364 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.119 -16.668 2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.361 -16.766 1.324 1.00 0.00 H new ATOM 496 N SER A 33 12.518 -11.227 0.994 1.00 0.00 N ATOM 497 CA SER A 33 12.476 -11.637 -0.382 1.00 0.00 C ATOM 498 C SER A 33 11.726 -10.597 -1.227 1.00 0.00 C ATOM 499 O SER A 33 12.142 -10.234 -2.333 1.00 0.00 O ATOM 500 CB SER A 33 11.793 -12.988 -0.458 1.00 0.00 C ATOM 501 OG SER A 33 12.529 -13.955 0.286 1.00 0.00 O ATOM 0 H SER A 33 12.034 -11.858 1.633 1.00 0.00 H new ATOM 0 HA SER A 33 13.488 -11.716 -0.780 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.778 -12.913 -0.067 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.711 -13.304 -1.498 1.00 0.00 H new ATOM 0 HG SER A 33 12.219 -13.958 1.216 1.00 0.00 H new ATOM 507 N LEU A 34 10.668 -10.083 -0.662 1.00 0.00 N ATOM 508 CA LEU A 34 9.814 -9.112 -1.321 1.00 0.00 C ATOM 509 C LEU A 34 10.576 -7.840 -1.526 1.00 0.00 C ATOM 510 O LEU A 34 10.581 -7.287 -2.583 1.00 0.00 O ATOM 511 CB LEU A 34 8.610 -8.796 -0.459 1.00 0.00 C ATOM 512 CG LEU A 34 7.477 -8.062 -1.153 1.00 0.00 C ATOM 513 CD1 LEU A 34 6.631 -8.991 -2.001 1.00 0.00 C ATOM 514 CD2 LEU A 34 6.657 -7.290 -0.173 1.00 0.00 C ATOM 0 H LEU A 34 10.364 -10.325 0.281 1.00 0.00 H new ATOM 0 HA LEU A 34 9.489 -9.531 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.220 -9.730 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.941 -8.197 0.389 1.00 0.00 H new ATOM 0 HG LEU A 34 7.924 -7.344 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.833 -8.422 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.254 -9.454 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.197 -9.766 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.853 -6.774 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.231 -7.972 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.288 -6.559 0.333 1.00 0.00 H new ATOM 526 N MET A 35 11.272 -7.459 -0.506 1.00 0.00 N ATOM 527 CA MET A 35 12.030 -6.235 -0.418 1.00 0.00 C ATOM 528 C MET A 35 13.092 -6.196 -1.498 1.00 0.00 C ATOM 529 O MET A 35 13.512 -5.137 -1.950 1.00 0.00 O ATOM 530 CB MET A 35 12.634 -6.181 0.969 1.00 0.00 C ATOM 531 CG MET A 35 13.186 -4.857 1.400 1.00 0.00 C ATOM 532 SD MET A 35 13.579 -4.865 3.162 1.00 0.00 S ATOM 533 CE MET A 35 11.955 -5.250 3.883 1.00 0.00 C ATOM 0 H MET A 35 11.336 -8.021 0.343 1.00 0.00 H new ATOM 0 HA MET A 35 11.394 -5.364 -0.576 1.00 0.00 H new ATOM 0 HB2 MET A 35 11.871 -6.484 1.687 1.00 0.00 H new ATOM 0 HB3 MET A 35 13.434 -6.919 1.023 1.00 0.00 H new ATOM 0 HG2 MET A 35 14.083 -4.628 0.824 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.462 -4.070 1.189 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.767 -4.590 4.730 1.00 0.00 H new ATOM 0 HE2 MET A 35 11.179 -5.104 3.131 1.00 0.00 H new ATOM 0 HE3 MET A 35 11.943 -6.286 4.221 1.00 0.00 H new ATOM 543 N HIS A 36 13.550 -7.362 -1.883 1.00 0.00 N ATOM 544 CA HIS A 36 14.497 -7.473 -2.965 1.00 0.00 C ATOM 545 C HIS A 36 13.827 -7.662 -4.332 1.00 0.00 C ATOM 546 O HIS A 36 14.456 -7.436 -5.357 1.00 0.00 O ATOM 547 CB HIS A 36 15.522 -8.562 -2.705 1.00 0.00 C ATOM 548 CG HIS A 36 16.545 -8.201 -1.665 1.00 0.00 C ATOM 549 ND1 HIS A 36 17.890 -8.408 -1.834 1.00 0.00 N ATOM 550 CD2 HIS A 36 16.411 -7.634 -0.439 1.00 0.00 C ATOM 551 CE1 HIS A 36 18.540 -7.986 -0.772 1.00 0.00 C ATOM 552 NE2 HIS A 36 17.672 -7.509 0.092 1.00 0.00 N ATOM 0 H HIS A 36 13.281 -8.251 -1.461 1.00 0.00 H new ATOM 0 HA HIS A 36 15.020 -6.518 -3.003 1.00 0.00 H new ATOM 0 HB2 HIS A 36 15.003 -9.468 -2.391 1.00 0.00 H new ATOM 0 HB3 HIS A 36 16.034 -8.795 -3.638 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.485 -7.337 0.031 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.610 -8.025 -0.633 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.897 -7.112 1.004 1.00 0.00 H new ATOM 561 N HIS A 37 12.560 -8.052 -4.354 1.00 0.00 N ATOM 562 CA HIS A 37 11.870 -8.251 -5.635 1.00 0.00 C ATOM 563 C HIS A 37 10.960 -7.089 -6.008 1.00 0.00 C ATOM 564 O HIS A 37 10.587 -6.932 -7.176 1.00 0.00 O ATOM 565 CB HIS A 37 11.091 -9.568 -5.684 1.00 0.00 C ATOM 566 CG HIS A 37 11.933 -10.791 -5.914 1.00 0.00 C ATOM 567 ND1 HIS A 37 12.593 -11.596 -5.048 1.00 0.00 N flip ATOM 568 CD2 HIS A 37 12.145 -11.332 -7.166 1.00 0.00 C flip ATOM 569 CE1 HIS A 37 13.179 -12.590 -5.782 1.00 0.00 C flip ATOM 570 NE2 HIS A 37 12.895 -12.408 -7.052 1.00 0.00 N flip ATOM 0 H HIS A 37 11.994 -8.235 -3.525 1.00 0.00 H new ATOM 0 HA HIS A 37 12.665 -8.299 -6.379 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.549 -9.688 -4.746 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.345 -9.503 -6.476 1.00 0.00 H new ATOM 0 HD1 HIS A 37 12.644 -11.482 -4.036 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.757 -10.935 -8.093 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.778 -13.395 -5.382 1.00 0.00 H new ATOM 579 N VAL A 38 10.633 -6.270 -5.056 1.00 0.00 N ATOM 580 CA VAL A 38 9.732 -5.160 -5.285 1.00 0.00 C ATOM 581 C VAL A 38 10.384 -3.876 -4.791 1.00 0.00 C ATOM 582 O VAL A 38 11.329 -3.929 -4.013 1.00 0.00 O ATOM 583 CB VAL A 38 8.337 -5.392 -4.601 1.00 0.00 C ATOM 584 CG1 VAL A 38 8.384 -5.273 -3.105 1.00 0.00 C ATOM 585 CG2 VAL A 38 7.302 -4.481 -5.157 1.00 0.00 C ATOM 0 H VAL A 38 10.977 -6.343 -4.098 1.00 0.00 H new ATOM 0 HA VAL A 38 9.543 -5.077 -6.355 1.00 0.00 H new ATOM 0 HB VAL A 38 8.063 -6.422 -4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.389 -5.444 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.075 -6.014 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.723 -4.274 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.349 -4.668 -4.662 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.601 -3.446 -4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.196 -4.660 -6.227 1.00 0.00 H new ATOM 595 N LYS A 39 9.926 -2.743 -5.269 1.00 0.00 N ATOM 596 CA LYS A 39 10.497 -1.481 -4.865 1.00 0.00 C ATOM 597 C LYS A 39 9.893 -1.033 -3.545 1.00 0.00 C ATOM 598 O LYS A 39 10.591 -0.866 -2.551 1.00 0.00 O ATOM 599 CB LYS A 39 10.269 -0.426 -5.938 1.00 0.00 C ATOM 600 CG LYS A 39 10.952 0.862 -5.624 1.00 0.00 C ATOM 601 CD LYS A 39 10.827 1.907 -6.711 1.00 0.00 C ATOM 602 CE LYS A 39 9.462 2.563 -6.728 1.00 0.00 C ATOM 603 NZ LYS A 39 9.436 3.721 -7.640 1.00 0.00 N ATOM 0 H LYS A 39 9.160 -2.670 -5.938 1.00 0.00 H new ATOM 0 HA LYS A 39 11.571 -1.610 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.630 -0.802 -6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.199 -0.249 -6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.539 1.264 -4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.009 0.666 -5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.592 2.670 -6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.017 1.444 -7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.711 1.836 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.198 2.885 -5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.488 4.149 -7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.137 4.424 -7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.664 3.408 -8.605 1.00 0.00 H new ATOM 617 N ASN A 40 8.602 -0.814 -3.570 1.00 0.00 N ATOM 618 CA ASN A 40 7.824 -0.461 -2.420 1.00 0.00 C ATOM 619 C ASN A 40 6.362 -0.688 -2.802 1.00 0.00 C ATOM 620 O ASN A 40 6.100 -1.203 -3.910 1.00 0.00 O ATOM 621 CB ASN A 40 8.079 1.019 -2.019 1.00 0.00 C ATOM 622 CG ASN A 40 7.399 1.441 -0.721 1.00 0.00 C ATOM 623 OD1 ASN A 40 7.186 0.644 0.173 1.00 0.00 O ATOM 624 ND2 ASN A 40 7.021 2.663 -0.649 1.00 0.00 N ATOM 0 H ASN A 40 8.049 -0.880 -4.425 1.00 0.00 H new ATOM 0 HA ASN A 40 8.096 -1.067 -1.556 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.153 1.177 -1.922 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.733 1.667 -2.825 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.524 2.995 0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.217 3.304 -1.418 1.00 0.00 H new ATOM 631 N ILE A 41 5.466 -0.304 -1.909 1.00 0.00 N ATOM 632 CA ILE A 41 3.998 -0.340 -2.005 1.00 0.00 C ATOM 633 C ILE A 41 3.470 -0.263 -3.450 1.00 0.00 C ATOM 634 O ILE A 41 2.719 -1.126 -3.868 1.00 0.00 O ATOM 635 CB ILE A 41 3.453 0.878 -1.240 1.00 0.00 C ATOM 636 CG1 ILE A 41 3.890 0.842 0.229 1.00 0.00 C ATOM 637 CG2 ILE A 41 1.922 0.975 -1.348 1.00 0.00 C ATOM 638 CD1 ILE A 41 3.534 2.087 1.009 1.00 0.00 C ATOM 0 H ILE A 41 5.765 0.078 -1.012 1.00 0.00 H new ATOM 0 HA ILE A 41 3.667 -1.293 -1.592 1.00 0.00 H new ATOM 0 HB ILE A 41 3.875 1.770 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.431 -0.020 0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.969 0.695 0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.573 1.847 -0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.636 1.071 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.470 0.076 -0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.877 1.982 2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.015 2.952 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.453 2.226 0.999 1.00 0.00 H new ATOM 650 N ALA A 42 3.867 0.782 -4.184 1.00 0.00 N ATOM 651 CA ALA A 42 3.425 0.988 -5.574 1.00 0.00 C ATOM 652 C ALA A 42 3.633 -0.226 -6.454 1.00 0.00 C ATOM 653 O ALA A 42 2.692 -0.721 -7.045 1.00 0.00 O ATOM 654 CB ALA A 42 4.105 2.188 -6.180 1.00 0.00 C ATOM 0 H ALA A 42 4.498 1.505 -3.838 1.00 0.00 H new ATOM 0 HA ALA A 42 2.350 1.164 -5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.763 2.320 -7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.860 3.077 -5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.184 2.036 -6.174 1.00 0.00 H new ATOM 660 N GLU A 43 4.844 -0.737 -6.481 1.00 0.00 N ATOM 661 CA GLU A 43 5.153 -1.868 -7.327 1.00 0.00 C ATOM 662 C GLU A 43 4.524 -3.106 -6.747 1.00 0.00 C ATOM 663 O GLU A 43 4.119 -3.968 -7.468 1.00 0.00 O ATOM 664 CB GLU A 43 6.662 -2.069 -7.457 1.00 0.00 C ATOM 665 CG GLU A 43 7.469 -0.839 -7.845 1.00 0.00 C ATOM 666 CD GLU A 43 6.918 -0.111 -9.013 1.00 0.00 C ATOM 667 OE1 GLU A 43 7.174 -0.504 -10.152 1.00 0.00 O ATOM 668 OE2 GLU A 43 6.240 0.886 -8.802 1.00 0.00 O ATOM 0 H GLU A 43 5.628 -0.389 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 43 4.753 -1.675 -8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.042 -2.443 -6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.842 -2.846 -8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.514 -0.161 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.493 -1.141 -8.066 1.00 0.00 H new ATOM 675 N LEU A 44 4.435 -3.160 -5.426 1.00 0.00 N ATOM 676 CA LEU A 44 3.832 -4.287 -4.722 1.00 0.00 C ATOM 677 C LEU A 44 2.382 -4.455 -5.131 1.00 0.00 C ATOM 678 O LEU A 44 1.941 -5.547 -5.464 1.00 0.00 O ATOM 679 CB LEU A 44 3.940 -4.080 -3.203 1.00 0.00 C ATOM 680 CG LEU A 44 3.266 -5.130 -2.319 1.00 0.00 C ATOM 681 CD1 LEU A 44 3.827 -6.507 -2.602 1.00 0.00 C ATOM 682 CD2 LEU A 44 3.441 -4.775 -0.859 1.00 0.00 C ATOM 0 H LEU A 44 4.779 -2.424 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 44 4.371 -5.195 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.997 -4.040 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.514 -3.106 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 44 2.201 -5.143 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.334 -7.239 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.653 -6.763 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.898 -6.512 -2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.957 -5.530 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.504 -4.736 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.989 -3.802 -0.664 1.00 0.00 H new ATOM 694 N ALA A 45 1.674 -3.359 -5.158 1.00 0.00 N ATOM 695 CA ALA A 45 0.292 -3.365 -5.510 1.00 0.00 C ATOM 696 C ALA A 45 0.107 -3.413 -7.017 1.00 0.00 C ATOM 697 O ALA A 45 -0.999 -3.655 -7.515 1.00 0.00 O ATOM 698 CB ALA A 45 -0.407 -2.181 -4.899 1.00 0.00 C ATOM 0 H ALA A 45 2.047 -2.436 -4.935 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.164 -4.269 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.461 -2.198 -5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.316 -2.225 -3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.049 -1.261 -5.264 1.00 0.00 H new ATOM 704 N ALA A 46 1.186 -3.171 -7.733 1.00 0.00 N ATOM 705 CA ALA A 46 1.187 -3.247 -9.177 1.00 0.00 C ATOM 706 C ALA A 46 1.494 -4.668 -9.619 1.00 0.00 C ATOM 707 O ALA A 46 1.213 -5.058 -10.768 1.00 0.00 O ATOM 708 CB ALA A 46 2.188 -2.270 -9.772 1.00 0.00 C ATOM 0 H ALA A 46 2.087 -2.916 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 46 0.197 -2.971 -9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.169 -2.347 -10.859 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.926 -1.254 -9.475 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.188 -2.507 -9.409 1.00 0.00 H new ATOM 714 N LEU A 47 2.078 -5.437 -8.717 1.00 0.00 N ATOM 715 CA LEU A 47 2.382 -6.815 -8.977 1.00 0.00 C ATOM 716 C LEU A 47 1.115 -7.660 -8.991 1.00 0.00 C ATOM 717 O LEU A 47 0.092 -7.297 -8.391 1.00 0.00 O ATOM 718 CB LEU A 47 3.359 -7.388 -7.944 1.00 0.00 C ATOM 719 CG LEU A 47 4.766 -6.806 -7.936 1.00 0.00 C ATOM 720 CD1 LEU A 47 5.582 -7.415 -6.809 1.00 0.00 C ATOM 721 CD2 LEU A 47 5.458 -7.040 -9.270 1.00 0.00 C ATOM 0 H LEU A 47 2.351 -5.115 -7.788 1.00 0.00 H new ATOM 0 HA LEU A 47 2.854 -6.852 -9.959 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.927 -7.248 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.436 -8.463 -8.109 1.00 0.00 H new ATOM 0 HG LEU A 47 4.688 -5.731 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.586 -6.990 -6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.102 -7.199 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.645 -8.494 -6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.461 -6.615 -9.239 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.523 -8.111 -9.463 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.886 -6.562 -10.065 1.00 0.00 H new ATOM 733 N SER A 48 1.177 -8.759 -9.680 1.00 0.00 N ATOM 734 CA SER A 48 0.082 -9.680 -9.749 1.00 0.00 C ATOM 735 C SER A 48 0.232 -10.729 -8.635 1.00 0.00 C ATOM 736 O SER A 48 1.321 -10.869 -8.045 1.00 0.00 O ATOM 737 CB SER A 48 0.090 -10.324 -11.129 1.00 0.00 C ATOM 738 OG SER A 48 0.167 -9.315 -12.131 1.00 0.00 O ATOM 0 H SER A 48 1.997 -9.045 -10.215 1.00 0.00 H new ATOM 0 HA SER A 48 -0.871 -9.172 -9.602 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.937 -11.004 -11.218 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.812 -10.919 -11.268 1.00 0.00 H new ATOM 0 HG SER A 48 0.174 -9.734 -13.017 1.00 0.00 H new ATOM 744 N GLN A 49 -0.832 -11.478 -8.365 1.00 0.00 N ATOM 745 CA GLN A 49 -0.839 -12.485 -7.304 1.00 0.00 C ATOM 746 C GLN A 49 0.196 -13.564 -7.604 1.00 0.00 C ATOM 747 O GLN A 49 0.840 -14.113 -6.704 1.00 0.00 O ATOM 748 CB GLN A 49 -2.218 -13.124 -7.219 1.00 0.00 C ATOM 749 CG GLN A 49 -2.375 -14.120 -6.089 1.00 0.00 C ATOM 750 CD GLN A 49 -3.683 -14.861 -6.162 1.00 0.00 C ATOM 751 OE1 GLN A 49 -4.680 -14.336 -6.660 1.00 0.00 O ATOM 752 NE2 GLN A 49 -3.699 -16.076 -5.675 1.00 0.00 N ATOM 0 H GLN A 49 -1.713 -11.406 -8.873 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.596 -12.005 -6.356 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.963 -12.337 -7.101 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.432 -13.626 -8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.552 -14.834 -6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.308 -13.598 -5.135 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.852 -16.475 -5.271 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.559 -16.624 -5.700 1.00 0.00 H new ATOM 761 N ASP A 50 0.363 -13.830 -8.872 1.00 0.00 N ATOM 762 CA ASP A 50 1.295 -14.835 -9.358 1.00 0.00 C ATOM 763 C ASP A 50 2.729 -14.435 -9.043 1.00 0.00 C ATOM 764 O ASP A 50 3.550 -15.265 -8.656 1.00 0.00 O ATOM 765 CB ASP A 50 1.119 -15.015 -10.850 1.00 0.00 C ATOM 766 CG ASP A 50 1.966 -16.121 -11.397 1.00 0.00 C ATOM 767 OD1 ASP A 50 1.601 -17.300 -11.225 1.00 0.00 O ATOM 768 OD2 ASP A 50 2.999 -15.835 -12.025 1.00 0.00 O ATOM 0 H ASP A 50 -0.148 -13.352 -9.614 1.00 0.00 H new ATOM 0 HA ASP A 50 1.086 -15.779 -8.855 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.071 -15.223 -11.067 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.371 -14.084 -11.357 1.00 0.00 H new ATOM 773 N GLU A 51 2.996 -13.143 -9.140 1.00 0.00 N ATOM 774 CA GLU A 51 4.308 -12.588 -8.844 1.00 0.00 C ATOM 775 C GLU A 51 4.585 -12.769 -7.367 1.00 0.00 C ATOM 776 O GLU A 51 5.681 -13.152 -6.966 1.00 0.00 O ATOM 777 CB GLU A 51 4.343 -11.103 -9.199 1.00 0.00 C ATOM 778 CG GLU A 51 4.050 -10.807 -10.658 1.00 0.00 C ATOM 779 CD GLU A 51 5.104 -11.341 -11.595 1.00 0.00 C ATOM 780 OE1 GLU A 51 5.045 -12.521 -11.974 1.00 0.00 O ATOM 781 OE2 GLU A 51 5.992 -10.570 -11.998 1.00 0.00 O ATOM 0 H GLU A 51 2.308 -12.447 -9.427 1.00 0.00 H new ATOM 0 HA GLU A 51 5.067 -13.102 -9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.618 -10.575 -8.580 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.326 -10.704 -8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.085 -11.239 -10.923 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.965 -9.729 -10.793 1.00 0.00 H new ATOM 788 N LEU A 52 3.555 -12.548 -6.565 1.00 0.00 N ATOM 789 CA LEU A 52 3.652 -12.727 -5.134 1.00 0.00 C ATOM 790 C LEU A 52 3.865 -14.198 -4.808 1.00 0.00 C ATOM 791 O LEU A 52 4.567 -14.527 -3.886 1.00 0.00 O ATOM 792 CB LEU A 52 2.401 -12.207 -4.425 1.00 0.00 C ATOM 793 CG LEU A 52 2.054 -10.740 -4.645 1.00 0.00 C ATOM 794 CD1 LEU A 52 0.795 -10.371 -3.885 1.00 0.00 C ATOM 795 CD2 LEU A 52 3.212 -9.835 -4.253 1.00 0.00 C ATOM 0 H LEU A 52 2.638 -12.242 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 52 4.506 -12.151 -4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.552 -12.810 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.523 -12.372 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 52 1.867 -10.593 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.563 -9.320 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.034 -10.986 -4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.950 -10.541 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.934 -8.795 -4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.448 -9.982 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.086 -10.079 -4.857 1.00 0.00 H new ATOM 807 N THR A 53 3.288 -15.080 -5.606 1.00 0.00 N ATOM 808 CA THR A 53 3.451 -16.511 -5.389 1.00 0.00 C ATOM 809 C THR A 53 4.911 -16.899 -5.637 1.00 0.00 C ATOM 810 O THR A 53 5.446 -17.750 -4.976 1.00 0.00 O ATOM 811 CB THR A 53 2.551 -17.336 -6.326 1.00 0.00 C ATOM 812 OG1 THR A 53 1.200 -16.817 -6.293 1.00 0.00 O ATOM 813 CG2 THR A 53 2.517 -18.798 -5.886 1.00 0.00 C ATOM 0 H THR A 53 2.705 -14.835 -6.406 1.00 0.00 H new ATOM 0 HA THR A 53 3.164 -16.727 -4.360 1.00 0.00 H new ATOM 0 HB THR A 53 2.958 -17.267 -7.335 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.199 -15.888 -6.606 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.876 -19.366 -6.560 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.526 -19.209 -5.912 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.125 -18.863 -4.871 1.00 0.00 H new ATOM 821 N SER A 54 5.535 -16.226 -6.562 1.00 0.00 N ATOM 822 CA SER A 54 6.918 -16.479 -6.885 1.00 0.00 C ATOM 823 C SER A 54 7.841 -15.941 -5.769 1.00 0.00 C ATOM 824 O SER A 54 8.809 -16.604 -5.359 1.00 0.00 O ATOM 825 CB SER A 54 7.255 -15.854 -8.247 1.00 0.00 C ATOM 826 OG SER A 54 8.588 -16.130 -8.639 1.00 0.00 O ATOM 0 H SER A 54 5.103 -15.486 -7.115 1.00 0.00 H new ATOM 0 HA SER A 54 7.082 -17.554 -6.954 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.568 -16.236 -9.002 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.107 -14.775 -8.198 1.00 0.00 H new ATOM 0 HG SER A 54 8.765 -15.718 -9.510 1.00 0.00 H new ATOM 832 N ILE A 55 7.518 -14.760 -5.269 1.00 0.00 N ATOM 833 CA ILE A 55 8.311 -14.102 -4.238 1.00 0.00 C ATOM 834 C ILE A 55 8.138 -14.774 -2.879 1.00 0.00 C ATOM 835 O ILE A 55 9.118 -15.112 -2.215 1.00 0.00 O ATOM 836 CB ILE A 55 7.917 -12.610 -4.114 1.00 0.00 C ATOM 837 CG1 ILE A 55 8.165 -11.890 -5.449 1.00 0.00 C ATOM 838 CG2 ILE A 55 8.700 -11.936 -2.980 1.00 0.00 C ATOM 839 CD1 ILE A 55 7.589 -10.489 -5.521 1.00 0.00 C ATOM 0 H ILE A 55 6.699 -14.228 -5.565 1.00 0.00 H new ATOM 0 HA ILE A 55 9.355 -14.184 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 55 6.856 -12.546 -3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.239 -11.838 -5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.738 -12.487 -6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.409 -10.888 -2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.480 -12.438 -2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.768 -12.002 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.810 -10.055 -6.496 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.509 -10.532 -5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.034 -9.872 -4.740 1.00 0.00 H new ATOM 851 N LEU A 56 6.901 -14.963 -2.480 1.00 0.00 N ATOM 852 CA LEU A 56 6.596 -15.502 -1.171 1.00 0.00 C ATOM 853 C LEU A 56 6.705 -17.024 -1.205 1.00 0.00 C ATOM 854 O LEU A 56 6.999 -17.660 -0.201 1.00 0.00 O ATOM 855 CB LEU A 56 5.172 -15.097 -0.728 1.00 0.00 C ATOM 856 CG LEU A 56 4.698 -13.651 -1.048 1.00 0.00 C ATOM 857 CD1 LEU A 56 3.354 -13.398 -0.436 1.00 0.00 C ATOM 858 CD2 LEU A 56 5.677 -12.586 -0.599 1.00 0.00 C ATOM 0 H LEU A 56 6.081 -14.750 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 56 7.311 -15.096 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.468 -15.790 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.103 -15.242 0.350 1.00 0.00 H new ATOM 0 HG LEU A 56 4.633 -13.582 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.034 -12.382 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.631 -14.107 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.418 -13.521 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.285 -11.601 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.819 -12.653 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.633 -12.736 -1.100 1.00 0.00 H new ATOM 870 N GLY A 57 6.429 -17.589 -2.362 1.00 0.00 N ATOM 871 CA GLY A 57 6.534 -19.019 -2.573 1.00 0.00 C ATOM 872 C GLY A 57 5.246 -19.757 -2.302 1.00 0.00 C ATOM 873 O GLY A 57 5.107 -20.931 -2.656 1.00 0.00 O ATOM 0 H GLY A 57 6.125 -17.069 -3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.843 -19.206 -3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.316 -19.418 -1.928 1.00 0.00 H new ATOM 877 N ASN A 58 4.287 -19.076 -1.709 1.00 0.00 N ATOM 878 CA ASN A 58 3.031 -19.709 -1.343 1.00 0.00 C ATOM 879 C ASN A 58 1.913 -18.888 -1.896 1.00 0.00 C ATOM 880 O ASN A 58 1.871 -17.662 -1.670 1.00 0.00 O ATOM 881 CB ASN A 58 2.829 -19.791 0.194 1.00 0.00 C ATOM 882 CG ASN A 58 4.094 -19.673 1.000 1.00 0.00 C ATOM 883 OD1 ASN A 58 4.383 -18.470 1.413 1.00 0.00 O flip ATOM 884 ND2 ASN A 58 4.781 -20.648 1.281 1.00 0.00 N flip ATOM 0 H ASN A 58 4.350 -18.087 -1.470 1.00 0.00 H new ATOM 0 HA ASN A 58 3.047 -20.723 -1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.144 -19.000 0.500 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.348 -20.739 0.434 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.520 -21.572 0.937 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.614 -20.535 1.858 1.00 0.00 H new ATOM 891 N ALA A 59 0.995 -19.534 -2.584 1.00 0.00 N ATOM 892 CA ALA A 59 -0.164 -18.868 -3.141 1.00 0.00 C ATOM 893 C ALA A 59 -1.088 -18.406 -2.039 1.00 0.00 C ATOM 894 O ALA A 59 -1.881 -17.534 -2.248 1.00 0.00 O ATOM 895 CB ALA A 59 -0.920 -19.765 -4.101 1.00 0.00 C ATOM 0 H ALA A 59 1.031 -20.536 -2.773 1.00 0.00 H new ATOM 0 HA ALA A 59 0.196 -18.003 -3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.782 -19.229 -4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.264 -20.054 -4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.258 -20.658 -3.575 1.00 0.00 H new ATOM 901 N ALA A 60 -0.962 -19.001 -0.865 1.00 0.00 N ATOM 902 CA ALA A 60 -1.754 -18.615 0.286 1.00 0.00 C ATOM 903 C ALA A 60 -1.391 -17.208 0.693 1.00 0.00 C ATOM 904 O ALA A 60 -2.237 -16.330 0.745 1.00 0.00 O ATOM 905 CB ALA A 60 -1.486 -19.549 1.433 1.00 0.00 C ATOM 0 H ALA A 60 -0.309 -19.763 -0.685 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.811 -18.664 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.086 -19.251 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.749 -20.566 1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.429 -19.508 1.696 1.00 0.00 H new ATOM 911 N ASN A 61 -0.101 -16.995 0.920 1.00 0.00 N ATOM 912 CA ASN A 61 0.428 -15.690 1.304 1.00 0.00 C ATOM 913 C ASN A 61 0.148 -14.683 0.194 1.00 0.00 C ATOM 914 O ASN A 61 -0.253 -13.556 0.448 1.00 0.00 O ATOM 915 CB ASN A 61 1.949 -15.769 1.531 1.00 0.00 C ATOM 916 CG ASN A 61 2.441 -16.449 2.817 1.00 0.00 C ATOM 917 OD1 ASN A 61 3.557 -16.210 3.243 1.00 0.00 O ATOM 918 ND2 ASN A 61 1.650 -17.239 3.446 1.00 0.00 N ATOM 0 H ASN A 61 0.610 -17.722 0.843 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.056 -15.378 2.229 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.388 -16.295 0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.344 -14.753 1.516 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.952 -17.677 4.316 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.719 -17.429 3.076 1.00 0.00 H new ATOM 925 N ALA A 62 0.327 -15.137 -1.046 1.00 0.00 N ATOM 926 CA ALA A 62 0.134 -14.314 -2.234 1.00 0.00 C ATOM 927 C ALA A 62 -1.315 -13.895 -2.377 1.00 0.00 C ATOM 928 O ALA A 62 -1.606 -12.760 -2.724 1.00 0.00 O ATOM 929 CB ALA A 62 0.567 -15.090 -3.466 1.00 0.00 C ATOM 0 H ALA A 62 0.612 -16.094 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 62 0.741 -13.414 -2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.422 -14.474 -4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.620 -15.356 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.030 -15.998 -3.553 1.00 0.00 H new ATOM 935 N LYS A 63 -2.216 -14.808 -2.081 1.00 0.00 N ATOM 936 CA LYS A 63 -3.620 -14.560 -2.218 1.00 0.00 C ATOM 937 C LYS A 63 -4.083 -13.663 -1.109 1.00 0.00 C ATOM 938 O LYS A 63 -4.845 -12.754 -1.350 1.00 0.00 O ATOM 939 CB LYS A 63 -4.413 -15.876 -2.246 1.00 0.00 C ATOM 940 CG LYS A 63 -5.918 -15.703 -2.400 1.00 0.00 C ATOM 941 CD LYS A 63 -6.643 -17.041 -2.406 1.00 0.00 C ATOM 942 CE LYS A 63 -8.133 -16.876 -2.697 1.00 0.00 C ATOM 943 NZ LYS A 63 -8.805 -15.994 -1.726 1.00 0.00 N ATOM 0 H LYS A 63 -1.987 -15.741 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.801 -14.058 -3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.045 -16.490 -3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.215 -16.424 -1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.298 -15.087 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.130 -15.171 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.196 -17.693 -3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.513 -17.529 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.261 -16.470 -3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.612 -17.855 -2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.831 -16.009 -1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.609 -16.327 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.450 -15.023 -1.836 1.00 0.00 H new ATOM 957 N GLN A 64 -3.579 -13.902 0.101 1.00 0.00 N ATOM 958 CA GLN A 64 -3.926 -13.070 1.243 1.00 0.00 C ATOM 959 C GLN A 64 -3.540 -11.633 0.995 1.00 0.00 C ATOM 960 O GLN A 64 -4.329 -10.712 1.234 1.00 0.00 O ATOM 961 CB GLN A 64 -3.274 -13.560 2.535 1.00 0.00 C ATOM 962 CG GLN A 64 -3.783 -14.881 3.024 1.00 0.00 C ATOM 963 CD GLN A 64 -3.438 -15.110 4.478 1.00 0.00 C ATOM 964 OE1 GLN A 64 -4.200 -14.742 5.361 1.00 0.00 O ATOM 965 NE2 GLN A 64 -2.317 -15.727 4.741 1.00 0.00 N ATOM 0 H GLN A 64 -2.932 -14.662 0.311 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.007 -13.140 1.365 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.198 -13.635 2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.432 -12.813 3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.865 -14.924 2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.358 -15.682 2.419 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.705 -16.020 3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.054 -15.916 5.708 1.00 0.00 H new ATOM 974 N LEU A 65 -2.351 -11.453 0.474 1.00 0.00 N ATOM 975 CA LEU A 65 -1.847 -10.145 0.213 1.00 0.00 C ATOM 976 C LEU A 65 -2.571 -9.498 -0.958 1.00 0.00 C ATOM 977 O LEU A 65 -3.090 -8.389 -0.824 1.00 0.00 O ATOM 978 CB LEU A 65 -0.331 -10.182 -0.006 1.00 0.00 C ATOM 979 CG LEU A 65 0.347 -8.831 -0.232 1.00 0.00 C ATOM 980 CD1 LEU A 65 0.007 -7.874 0.894 1.00 0.00 C ATOM 981 CD2 LEU A 65 1.852 -9.009 -0.329 1.00 0.00 C ATOM 0 H LEU A 65 -1.715 -12.210 0.223 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.039 -9.525 1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.130 -10.657 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.124 -10.819 -0.866 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.019 -8.412 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.497 -6.917 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.072 -7.727 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.351 -8.290 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.323 -8.039 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.227 -9.446 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.087 -9.670 -1.163 1.00 0.00 H new ATOM 993 N TYR A 66 -2.660 -10.205 -2.083 1.00 0.00 N ATOM 994 CA TYR A 66 -3.285 -9.650 -3.274 1.00 0.00 C ATOM 995 C TYR A 66 -4.752 -9.312 -3.036 1.00 0.00 C ATOM 996 O TYR A 66 -5.244 -8.259 -3.496 1.00 0.00 O ATOM 997 CB TYR A 66 -3.147 -10.583 -4.480 1.00 0.00 C ATOM 998 CG TYR A 66 -3.687 -9.964 -5.740 1.00 0.00 C ATOM 999 CD1 TYR A 66 -2.965 -8.986 -6.393 1.00 0.00 C ATOM 1000 CD2 TYR A 66 -4.932 -10.319 -6.250 1.00 0.00 C ATOM 1001 CE1 TYR A 66 -3.454 -8.378 -7.514 1.00 0.00 C ATOM 1002 CE2 TYR A 66 -5.435 -9.702 -7.374 1.00 0.00 C ATOM 1003 CZ TYR A 66 -4.686 -8.735 -8.003 1.00 0.00 C ATOM 1004 OH TYR A 66 -5.177 -8.098 -9.112 1.00 0.00 O ATOM 0 H TYR A 66 -2.309 -11.156 -2.191 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.753 -8.726 -3.499 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.097 -10.837 -4.623 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.676 -11.515 -4.279 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.997 -8.696 -6.011 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.511 -11.087 -5.759 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.873 -7.618 -8.015 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -6.407 -9.975 -7.757 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.059 -8.463 -9.335 1.00 0.00 H new ATOM 1014 N ASP A 67 -5.435 -10.176 -2.313 1.00 0.00 N ATOM 1015 CA ASP A 67 -6.839 -9.980 -2.013 1.00 0.00 C ATOM 1016 C ASP A 67 -7.023 -8.748 -1.171 1.00 0.00 C ATOM 1017 O ASP A 67 -7.913 -7.961 -1.431 1.00 0.00 O ATOM 1018 CB ASP A 67 -7.451 -11.207 -1.331 1.00 0.00 C ATOM 1019 CG ASP A 67 -8.926 -11.060 -1.048 1.00 0.00 C ATOM 1020 OD1 ASP A 67 -9.736 -11.117 -2.001 1.00 0.00 O ATOM 1021 OD2 ASP A 67 -9.309 -10.949 0.133 1.00 0.00 O ATOM 0 H ASP A 67 -5.036 -11.028 -1.919 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.367 -9.842 -2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.295 -12.081 -1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.925 -11.393 -0.394 1.00 0.00 H new ATOM 1026 N PHE A 68 -6.134 -8.537 -0.206 1.00 0.00 N ATOM 1027 CA PHE A 68 -6.211 -7.361 0.635 1.00 0.00 C ATOM 1028 C PHE A 68 -5.934 -6.104 -0.205 1.00 0.00 C ATOM 1029 O PHE A 68 -6.655 -5.117 -0.102 1.00 0.00 O ATOM 1030 CB PHE A 68 -5.245 -7.478 1.824 1.00 0.00 C ATOM 1031 CG PHE A 68 -5.361 -6.365 2.841 1.00 0.00 C ATOM 1032 CD1 PHE A 68 -6.511 -6.224 3.606 1.00 0.00 C ATOM 1033 CD2 PHE A 68 -4.316 -5.481 3.049 1.00 0.00 C ATOM 1034 CE1 PHE A 68 -6.615 -5.220 4.550 1.00 0.00 C ATOM 1035 CE2 PHE A 68 -4.415 -4.472 3.991 1.00 0.00 C ATOM 1036 CZ PHE A 68 -5.565 -4.343 4.743 1.00 0.00 C ATOM 0 H PHE A 68 -5.358 -9.164 0.008 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.217 -7.279 1.047 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.420 -8.430 2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.223 -7.501 1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.335 -6.907 3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.411 -5.580 2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.516 -5.121 5.136 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.593 -3.786 4.137 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.644 -3.558 5.481 1.00 0.00 H new ATOM 1046 N ILE A 69 -4.930 -6.190 -1.087 1.00 0.00 N ATOM 1047 CA ILE A 69 -4.555 -5.098 -2.018 1.00 0.00 C ATOM 1048 C ILE A 69 -5.761 -4.655 -2.871 1.00 0.00 C ATOM 1049 O ILE A 69 -5.915 -3.447 -3.217 1.00 0.00 O ATOM 1050 CB ILE A 69 -3.387 -5.553 -2.960 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -2.108 -5.804 -2.159 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -3.134 -4.555 -4.073 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -0.972 -6.355 -2.987 1.00 0.00 C ATOM 0 H ILE A 69 -4.346 -7.021 -1.182 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.223 -4.252 -1.416 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.695 -6.489 -3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.790 -4.869 -1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.327 -6.501 -1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.317 -4.910 -4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.035 -4.447 -4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.867 -3.590 -3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.099 -6.507 -2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.271 -7.306 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.725 -5.650 -3.780 1.00 0.00 H new ATOM 1065 N HIS A 70 -6.603 -5.619 -3.202 1.00 0.00 N ATOM 1066 CA HIS A 70 -7.788 -5.381 -4.006 1.00 0.00 C ATOM 1067 C HIS A 70 -9.114 -5.641 -3.282 1.00 0.00 C ATOM 1068 O HIS A 70 -10.086 -6.032 -3.900 1.00 0.00 O ATOM 1069 CB HIS A 70 -7.725 -6.109 -5.356 1.00 0.00 C ATOM 1070 CG HIS A 70 -6.998 -5.324 -6.413 1.00 0.00 C ATOM 1071 ND1 HIS A 70 -5.755 -5.658 -6.893 1.00 0.00 N ATOM 1072 CD2 HIS A 70 -7.359 -4.187 -7.070 1.00 0.00 C ATOM 1073 CE1 HIS A 70 -5.376 -4.761 -7.789 1.00 0.00 C ATOM 1074 NE2 HIS A 70 -6.340 -3.854 -7.914 1.00 0.00 N ATOM 0 H HIS A 70 -6.483 -6.592 -2.919 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.778 -4.309 -4.201 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.231 -7.071 -5.221 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.739 -6.317 -5.698 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.285 -3.646 -6.945 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.440 -4.765 -8.328 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.321 -3.046 -8.536 1.00 0.00 H new ATOM 1083 N THR A 71 -9.155 -5.400 -2.006 1.00 0.00 N ATOM 1084 CA THR A 71 -10.404 -5.390 -1.271 1.00 0.00 C ATOM 1085 C THR A 71 -10.700 -3.949 -0.907 1.00 0.00 C ATOM 1086 O THR A 71 -9.935 -3.348 -0.201 1.00 0.00 O ATOM 1087 CB THR A 71 -10.334 -6.279 0.003 1.00 0.00 C ATOM 1088 OG1 THR A 71 -10.282 -7.660 -0.377 1.00 0.00 O ATOM 1089 CG2 THR A 71 -11.524 -6.048 0.935 1.00 0.00 C ATOM 0 H THR A 71 -8.331 -5.204 -1.438 1.00 0.00 H new ATOM 0 HA THR A 71 -11.200 -5.806 -1.889 1.00 0.00 H new ATOM 0 HB THR A 71 -9.431 -6.003 0.548 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.419 -7.850 -0.802 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.431 -6.691 1.810 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.542 -5.005 1.251 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.449 -6.283 0.409 1.00 0.00 H new ATOM 1097 N SER A 72 -11.787 -3.408 -1.421 1.00 0.00 N ATOM 1098 CA SER A 72 -12.131 -2.004 -1.245 1.00 0.00 C ATOM 1099 C SER A 72 -12.359 -1.688 0.233 1.00 0.00 C ATOM 1100 O SER A 72 -12.716 -2.588 1.020 1.00 0.00 O ATOM 1101 CB SER A 72 -13.411 -1.680 -2.030 1.00 0.00 C ATOM 1102 OG SER A 72 -13.383 -2.265 -3.332 1.00 0.00 O ATOM 0 H SER A 72 -12.463 -3.931 -1.977 1.00 0.00 H new ATOM 0 HA SER A 72 -11.304 -1.398 -1.616 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.279 -2.048 -1.482 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.523 -0.599 -2.117 1.00 0.00 H new ATOM 0 HG SER A 72 -14.211 -2.044 -3.808 1.00 0.00 H new ATOM 1108 N PHE A 73 -12.193 -0.409 0.599 1.00 0.00 N ATOM 1109 CA PHE A 73 -12.403 0.060 1.989 1.00 0.00 C ATOM 1110 C PHE A 73 -13.827 -0.254 2.432 1.00 0.00 C ATOM 1111 O PHE A 73 -14.120 -0.422 3.616 1.00 0.00 O ATOM 1112 CB PHE A 73 -12.183 1.575 2.100 1.00 0.00 C ATOM 1113 CG PHE A 73 -10.935 2.071 1.436 1.00 0.00 C ATOM 1114 CD1 PHE A 73 -9.684 1.835 1.982 1.00 0.00 C ATOM 1115 CD2 PHE A 73 -11.018 2.763 0.239 1.00 0.00 C ATOM 1116 CE1 PHE A 73 -8.556 2.276 1.337 1.00 0.00 C ATOM 1117 CE2 PHE A 73 -9.887 3.214 -0.400 1.00 0.00 C ATOM 1118 CZ PHE A 73 -8.656 2.970 0.145 1.00 0.00 C ATOM 0 H PHE A 73 -11.912 0.328 -0.048 1.00 0.00 H new ATOM 0 HA PHE A 73 -11.684 -0.455 2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.040 2.087 1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -12.152 1.849 3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.596 1.303 2.918 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.987 2.951 -0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.583 2.080 1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.970 3.759 -1.329 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.764 3.319 -0.355 1.00 0.00 H new ATOM 1516 N GLY B 115 -10.170 -2.680 8.438 1.00 0.00 N ATOM 1517 CA GLY B 115 -8.889 -3.121 7.880 1.00 0.00 C ATOM 1518 C GLY B 115 -8.295 -2.144 6.867 1.00 0.00 C ATOM 1519 O GLY B 115 -7.288 -1.499 7.147 1.00 0.00 O ATOM 0 HA2 GLY B 115 -8.178 -3.265 8.694 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -9.025 -4.090 7.401 1.00 0.00 H new ATOM 1523 N PRO B 116 -8.903 -2.001 5.698 1.00 0.00 N ATOM 1524 CA PRO B 116 -8.423 -1.073 4.667 1.00 0.00 C ATOM 1525 C PRO B 116 -8.576 0.432 5.081 1.00 0.00 C ATOM 1526 O PRO B 116 -7.705 1.267 4.777 1.00 0.00 O ATOM 1527 CB PRO B 116 -9.295 -1.441 3.454 1.00 0.00 C ATOM 1528 CG PRO B 116 -10.530 -2.010 4.053 1.00 0.00 C ATOM 1529 CD PRO B 116 -10.082 -2.763 5.254 1.00 0.00 C ATOM 0 HA PRO B 116 -7.354 -1.168 4.475 1.00 0.00 H new ATOM 0 HB2 PRO B 116 -9.516 -0.566 2.842 1.00 0.00 H new ATOM 0 HB3 PRO B 116 -8.796 -2.164 2.809 1.00 0.00 H new ATOM 0 HG2 PRO B 116 -11.233 -1.222 4.324 1.00 0.00 H new ATOM 0 HG3 PRO B 116 -11.042 -2.665 3.348 1.00 0.00 H new ATOM 0 HD2 PRO B 116 -10.855 -2.796 6.022 1.00 0.00 H new ATOM 0 HD3 PRO B 116 -9.829 -3.795 5.013 1.00 0.00 H new ATOM 1537 N GLN B 117 -9.644 0.756 5.819 1.00 0.00 N ATOM 1538 CA GLN B 117 -9.899 2.141 6.266 1.00 0.00 C ATOM 1539 C GLN B 117 -8.789 2.628 7.207 1.00 0.00 C ATOM 1540 O GLN B 117 -8.173 3.685 6.991 1.00 0.00 O ATOM 1541 CB GLN B 117 -11.259 2.231 6.963 1.00 0.00 C ATOM 1542 CG GLN B 117 -11.577 3.606 7.536 1.00 0.00 C ATOM 1543 CD GLN B 117 -12.934 3.663 8.194 1.00 0.00 C ATOM 1544 OE1 GLN B 117 -13.423 2.664 8.731 1.00 0.00 O ATOM 1545 NE2 GLN B 117 -13.546 4.818 8.186 1.00 0.00 N ATOM 0 H GLN B 117 -10.348 0.083 6.122 1.00 0.00 H new ATOM 0 HA GLN B 117 -9.908 2.785 5.387 1.00 0.00 H new ATOM 0 HB2 GLN B 117 -12.038 1.957 6.252 1.00 0.00 H new ATOM 0 HB3 GLN B 117 -11.291 1.498 7.769 1.00 0.00 H new ATOM 0 HG2 GLN B 117 -10.813 3.877 8.264 1.00 0.00 H new ATOM 0 HG3 GLN B 117 -11.533 4.347 6.738 1.00 0.00 H new ATOM 0 HE21 GLN B 117 -13.112 5.622 7.733 1.00 0.00 H new ATOM 0 HE22 GLN B 117 -14.458 4.915 8.633 1.00 0.00 H new ATOM 1554 N ASP B 118 -8.519 1.832 8.215 1.00 0.00 N ATOM 1555 CA ASP B 118 -7.484 2.103 9.210 1.00 0.00 C ATOM 1556 C ASP B 118 -6.126 2.063 8.551 1.00 0.00 C ATOM 1557 O ASP B 118 -5.168 2.717 8.999 1.00 0.00 O ATOM 1558 CB ASP B 118 -7.555 1.098 10.373 1.00 0.00 C ATOM 1559 CG ASP B 118 -6.501 1.326 11.432 1.00 0.00 C ATOM 1560 OD1 ASP B 118 -6.627 2.276 12.216 1.00 0.00 O ATOM 1561 OD2 ASP B 118 -5.518 0.573 11.497 1.00 0.00 O ATOM 0 H ASP B 118 -9.018 0.957 8.378 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.650 3.097 9.625 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -8.541 1.157 10.834 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -7.448 0.088 9.977 1.00 0.00 H new ATOM 1566 N PHE B 119 -6.029 1.285 7.477 1.00 0.00 N ATOM 1567 CA PHE B 119 -4.781 1.115 6.770 1.00 0.00 C ATOM 1568 C PHE B 119 -4.365 2.443 6.164 1.00 0.00 C ATOM 1569 O PHE B 119 -3.188 2.760 6.108 1.00 0.00 O ATOM 1570 CB PHE B 119 -4.934 0.056 5.696 1.00 0.00 C ATOM 1571 CG PHE B 119 -3.660 -0.533 5.217 1.00 0.00 C ATOM 1572 CD1 PHE B 119 -2.873 -1.277 6.080 1.00 0.00 C ATOM 1573 CD2 PHE B 119 -3.270 -0.395 3.908 1.00 0.00 C ATOM 1574 CE1 PHE B 119 -1.714 -1.873 5.644 1.00 0.00 C ATOM 1575 CE2 PHE B 119 -2.104 -0.983 3.463 1.00 0.00 C ATOM 1576 CZ PHE B 119 -1.327 -1.727 4.334 1.00 0.00 C ATOM 0 H PHE B 119 -6.811 0.762 7.081 1.00 0.00 H new ATOM 0 HA PHE B 119 -4.007 0.785 7.463 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -5.565 -0.744 6.082 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -5.458 0.494 4.846 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -3.174 -1.391 7.111 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -3.879 0.177 3.223 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -1.111 -2.453 6.327 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -1.797 -0.863 2.434 1.00 0.00 H new ATOM 0 HZ PHE B 119 -0.417 -2.192 3.984 1.00 0.00 H new ATOM 1586 N LEU B 120 -5.351 3.215 5.745 1.00 0.00 N ATOM 1587 CA LEU B 120 -5.118 4.543 5.227 1.00 0.00 C ATOM 1588 C LEU B 120 -4.720 5.484 6.319 1.00 0.00 C ATOM 1589 O LEU B 120 -3.696 6.070 6.256 1.00 0.00 O ATOM 1590 CB LEU B 120 -6.358 5.111 4.578 1.00 0.00 C ATOM 1591 CG LEU B 120 -6.900 4.389 3.383 1.00 0.00 C ATOM 1592 CD1 LEU B 120 -8.133 5.103 2.896 1.00 0.00 C ATOM 1593 CD2 LEU B 120 -5.858 4.306 2.284 1.00 0.00 C ATOM 0 H LEU B 120 -6.332 2.936 5.756 1.00 0.00 H new ATOM 0 HA LEU B 120 -4.319 4.447 4.492 1.00 0.00 H new ATOM 0 HB2 LEU B 120 -7.144 5.153 5.332 1.00 0.00 H new ATOM 0 HB3 LEU B 120 -6.144 6.138 4.283 1.00 0.00 H new ATOM 0 HG LEU B 120 -7.160 3.369 3.666 1.00 0.00 H new ATOM 0 HD11 LEU B 120 -8.534 4.584 2.026 1.00 0.00 H new ATOM 0 HD12 LEU B 120 -8.882 5.117 3.688 1.00 0.00 H new ATOM 0 HD13 LEU B 120 -7.876 6.126 2.622 1.00 0.00 H new ATOM 0 HD21 LEU B 120 -6.275 3.777 1.427 1.00 0.00 H new ATOM 0 HD22 LEU B 120 -5.566 5.312 1.983 1.00 0.00 H new ATOM 0 HD23 LEU B 120 -4.984 3.769 2.651 1.00 0.00 H new ATOM 1605 N LEU B 121 -5.535 5.575 7.348 1.00 0.00 N ATOM 1606 CA LEU B 121 -5.369 6.582 8.417 1.00 0.00 C ATOM 1607 C LEU B 121 -4.026 6.496 9.162 1.00 0.00 C ATOM 1608 O LEU B 121 -3.607 7.463 9.811 1.00 0.00 O ATOM 1609 CB LEU B 121 -6.528 6.492 9.385 1.00 0.00 C ATOM 1610 CG LEU B 121 -7.898 6.755 8.778 1.00 0.00 C ATOM 1611 CD1 LEU B 121 -8.976 6.391 9.758 1.00 0.00 C ATOM 1612 CD2 LEU B 121 -8.027 8.215 8.389 1.00 0.00 C ATOM 0 H LEU B 121 -6.338 4.960 7.483 1.00 0.00 H new ATOM 0 HA LEU B 121 -5.362 7.556 7.927 1.00 0.00 H new ATOM 0 HB2 LEU B 121 -6.531 5.498 9.833 1.00 0.00 H new ATOM 0 HB3 LEU B 121 -6.363 7.205 10.193 1.00 0.00 H new ATOM 0 HG LEU B 121 -8.008 6.140 7.885 1.00 0.00 H new ATOM 0 HD11 LEU B 121 -9.952 6.583 9.313 1.00 0.00 H new ATOM 0 HD12 LEU B 121 -8.895 5.334 10.012 1.00 0.00 H new ATOM 0 HD13 LEU B 121 -8.864 6.991 10.661 1.00 0.00 H new ATOM 0 HD21 LEU B 121 -9.012 8.390 7.956 1.00 0.00 H new ATOM 0 HD22 LEU B 121 -7.903 8.840 9.274 1.00 0.00 H new ATOM 0 HD23 LEU B 121 -7.259 8.466 7.657 1.00 0.00 H new ATOM 1624 N LYS B 122 -3.349 5.379 9.043 1.00 0.00 N ATOM 1625 CA LYS B 122 -2.051 5.215 9.684 1.00 0.00 C ATOM 1626 C LYS B 122 -0.916 5.667 8.769 1.00 0.00 C ATOM 1627 O LYS B 122 0.255 5.666 9.165 1.00 0.00 O ATOM 1628 CB LYS B 122 -1.819 3.778 10.098 1.00 0.00 C ATOM 1629 CG LYS B 122 -1.741 2.810 8.949 1.00 0.00 C ATOM 1630 CD LYS B 122 -1.212 1.486 9.406 1.00 0.00 C ATOM 1631 CE LYS B 122 -2.142 0.810 10.420 1.00 0.00 C ATOM 1632 NZ LYS B 122 -3.491 0.568 9.882 1.00 0.00 N ATOM 0 H LYS B 122 -3.667 4.568 8.512 1.00 0.00 H new ATOM 0 HA LYS B 122 -2.058 5.844 10.574 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -0.893 3.721 10.670 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -2.624 3.469 10.765 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -2.730 2.680 8.509 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -1.096 3.215 8.169 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -1.080 0.832 8.544 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -0.228 1.625 9.854 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -1.704 -0.138 10.732 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -2.217 1.434 11.310 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -4.115 0.236 10.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -3.870 1.451 9.485 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -3.443 -0.155 9.136 1.00 0.00 H new ATOM 1646 N MET B 123 -1.257 6.042 7.554 1.00 0.00 N ATOM 1647 CA MET B 123 -0.271 6.447 6.571 1.00 0.00 C ATOM 1648 C MET B 123 0.132 7.915 6.806 1.00 0.00 C ATOM 1649 O MET B 123 -0.671 8.708 7.298 1.00 0.00 O ATOM 1650 CB MET B 123 -0.833 6.318 5.138 1.00 0.00 C ATOM 1651 CG MET B 123 -1.318 4.927 4.731 1.00 0.00 C ATOM 1652 SD MET B 123 -1.859 4.894 3.008 1.00 0.00 S ATOM 1653 CE MET B 123 -2.348 3.186 2.809 1.00 0.00 C ATOM 0 H MET B 123 -2.220 6.075 7.220 1.00 0.00 H new ATOM 0 HA MET B 123 0.595 5.794 6.679 1.00 0.00 H new ATOM 0 HB2 MET B 123 -1.663 7.016 5.030 1.00 0.00 H new ATOM 0 HB3 MET B 123 -0.060 6.631 4.436 1.00 0.00 H new ATOM 0 HG2 MET B 123 -0.515 4.204 4.876 1.00 0.00 H new ATOM 0 HG3 MET B 123 -2.141 4.623 5.378 1.00 0.00 H new ATOM 0 HE1 MET B 123 -3.042 3.101 1.973 1.00 0.00 H new ATOM 0 HE2 MET B 123 -1.467 2.576 2.612 1.00 0.00 H new ATOM 0 HE3 MET B 123 -2.834 2.838 3.720 1.00 0.00 H new ATOM 1663 N PRO B 124 1.375 8.287 6.523 1.00 0.00 N ATOM 1664 CA PRO B 124 1.807 9.689 6.599 1.00 0.00 C ATOM 1665 C PRO B 124 1.223 10.530 5.438 1.00 0.00 C ATOM 1666 O PRO B 124 1.380 10.179 4.273 1.00 0.00 O ATOM 1667 CB PRO B 124 3.334 9.602 6.476 1.00 0.00 C ATOM 1668 CG PRO B 124 3.606 8.304 5.806 1.00 0.00 C ATOM 1669 CD PRO B 124 2.478 7.380 6.165 1.00 0.00 C ATOM 0 HA PRO B 124 1.471 10.175 7.515 1.00 0.00 H new ATOM 0 HB2 PRO B 124 3.729 10.434 5.893 1.00 0.00 H new ATOM 0 HB3 PRO B 124 3.810 9.645 7.456 1.00 0.00 H new ATOM 0 HG2 PRO B 124 3.669 8.434 4.726 1.00 0.00 H new ATOM 0 HG3 PRO B 124 4.561 7.893 6.134 1.00 0.00 H new ATOM 0 HD2 PRO B 124 2.209 6.735 5.329 1.00 0.00 H new ATOM 0 HD3 PRO B 124 2.745 6.728 6.997 1.00 0.00 H new ATOM 1677 N GLY B 125 0.527 11.614 5.764 1.00 0.00 N ATOM 1678 CA GLY B 125 -0.024 12.469 4.747 1.00 0.00 C ATOM 1679 C GLY B 125 -1.502 12.276 4.597 1.00 0.00 C ATOM 1680 O GLY B 125 -2.140 12.883 3.744 1.00 0.00 O ATOM 0 H GLY B 125 0.338 11.911 6.721 1.00 0.00 H new ATOM 0 HA2 GLY B 125 0.183 13.510 4.996 1.00 0.00 H new ATOM 0 HA3 GLY B 125 0.467 12.265 3.796 1.00 0.00 H new ATOM 1684 N VAL B 126 -2.058 11.473 5.440 1.00 0.00 N ATOM 1685 CA VAL B 126 -3.436 11.166 5.353 1.00 0.00 C ATOM 1686 C VAL B 126 -4.169 11.736 6.584 1.00 0.00 C ATOM 1687 O VAL B 126 -3.554 11.988 7.634 1.00 0.00 O ATOM 1688 CB VAL B 126 -3.612 9.639 5.263 1.00 0.00 C ATOM 1689 CG1 VAL B 126 -3.627 8.994 6.614 1.00 0.00 C ATOM 1690 CG2 VAL B 126 -4.790 9.239 4.401 1.00 0.00 C ATOM 0 H VAL B 126 -1.566 11.014 6.207 1.00 0.00 H new ATOM 0 HA VAL B 126 -3.865 11.618 4.459 1.00 0.00 H new ATOM 0 HB VAL B 126 -2.731 9.251 4.752 1.00 0.00 H new ATOM 0 HG11 VAL B 126 -3.753 7.917 6.502 1.00 0.00 H new ATOM 0 HG12 VAL B 126 -2.686 9.198 7.125 1.00 0.00 H new ATOM 0 HG13 VAL B 126 -4.453 9.397 7.200 1.00 0.00 H new ATOM 0 HG21 VAL B 126 -4.867 8.152 4.372 1.00 0.00 H new ATOM 0 HG22 VAL B 126 -5.706 9.657 4.819 1.00 0.00 H new ATOM 0 HG23 VAL B 126 -4.647 9.619 3.390 1.00 0.00 H new ATOM 1700 N ASN B 127 -5.442 11.972 6.431 1.00 0.00 N ATOM 1701 CA ASN B 127 -6.327 12.458 7.490 1.00 0.00 C ATOM 1702 C ASN B 127 -7.670 11.881 7.211 1.00 0.00 C ATOM 1703 O ASN B 127 -7.910 11.458 6.101 1.00 0.00 O ATOM 1704 CB ASN B 127 -6.468 13.996 7.501 1.00 0.00 C ATOM 1705 CG ASN B 127 -5.187 14.742 7.744 1.00 0.00 C ATOM 1706 OD1 ASN B 127 -4.567 15.189 6.694 1.00 0.00 O flip ATOM 1707 ND2 ASN B 127 -4.791 14.965 8.880 1.00 0.00 N flip ATOM 0 H ASN B 127 -5.922 11.831 5.542 1.00 0.00 H new ATOM 0 HA ASN B 127 -5.912 12.164 8.454 1.00 0.00 H new ATOM 0 HB2 ASN B 127 -6.883 14.316 6.545 1.00 0.00 H new ATOM 0 HB3 ASN B 127 -7.187 14.276 8.271 1.00 0.00 H new ATOM 0 HD21 ASN B 127 -5.305 14.597 9.681 1.00 0.00 H new ATOM 0 HD22 ASN B 127 -3.947 15.519 9.026 1.00 0.00 H new ATOM 1714 N ALA B 128 -8.558 11.897 8.169 1.00 0.00 N ATOM 1715 CA ALA B 128 -9.899 11.351 7.991 1.00 0.00 C ATOM 1716 C ALA B 128 -10.656 12.062 6.866 1.00 0.00 C ATOM 1717 O ALA B 128 -11.411 11.435 6.122 1.00 0.00 O ATOM 1718 CB ALA B 128 -10.676 11.413 9.291 1.00 0.00 C ATOM 0 H ALA B 128 -8.384 12.285 9.096 1.00 0.00 H new ATOM 0 HA ALA B 128 -9.795 10.306 7.700 1.00 0.00 H new ATOM 0 HB1 ALA B 128 -11.674 11.001 9.139 1.00 0.00 H new ATOM 0 HB2 ALA B 128 -10.157 10.832 10.053 1.00 0.00 H new ATOM 0 HB3 ALA B 128 -10.757 12.450 9.617 1.00 0.00 H new ATOM 1724 N LYS B 129 -10.375 13.345 6.685 1.00 0.00 N ATOM 1725 CA LYS B 129 -11.074 14.138 5.676 1.00 0.00 C ATOM 1726 C LYS B 129 -10.639 13.719 4.273 1.00 0.00 C ATOM 1727 O LYS B 129 -11.454 13.556 3.337 1.00 0.00 O ATOM 1728 CB LYS B 129 -10.812 15.633 5.895 1.00 0.00 C ATOM 1729 CG LYS B 129 -9.335 16.029 5.861 1.00 0.00 C ATOM 1730 CD LYS B 129 -9.141 17.526 5.959 1.00 0.00 C ATOM 1731 CE LYS B 129 -9.731 18.093 7.234 1.00 0.00 C ATOM 1732 NZ LYS B 129 -9.473 19.530 7.351 1.00 0.00 N ATOM 0 H LYS B 129 -9.673 13.859 7.218 1.00 0.00 H new ATOM 0 HA LYS B 129 -12.144 13.957 5.774 1.00 0.00 H new ATOM 0 HB2 LYS B 129 -11.345 16.198 5.130 1.00 0.00 H new ATOM 0 HB3 LYS B 129 -11.232 15.925 6.858 1.00 0.00 H new ATOM 0 HG2 LYS B 129 -8.811 15.542 6.684 1.00 0.00 H new ATOM 0 HG3 LYS B 129 -8.885 15.666 4.937 1.00 0.00 H new ATOM 0 HD2 LYS B 129 -8.077 17.757 5.918 1.00 0.00 H new ATOM 0 HD3 LYS B 129 -9.605 18.009 5.099 1.00 0.00 H new ATOM 0 HE2 LYS B 129 -10.806 17.913 7.251 1.00 0.00 H new ATOM 0 HE3 LYS B 129 -9.307 17.575 8.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 -9.890 19.887 8.234 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 -8.447 19.699 7.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 -9.899 20.026 6.542 1.00 0.00 H new ATOM 1746 N ASN B 130 -9.376 13.471 4.128 1.00 0.00 N ATOM 1747 CA ASN B 130 -8.884 13.124 2.851 1.00 0.00 C ATOM 1748 C ASN B 130 -9.026 11.637 2.627 1.00 0.00 C ATOM 1749 O ASN B 130 -9.055 11.187 1.517 1.00 0.00 O ATOM 1750 CB ASN B 130 -7.462 13.663 2.585 1.00 0.00 C ATOM 1751 CG ASN B 130 -6.327 13.064 3.418 1.00 0.00 C ATOM 1752 OD1 ASN B 130 -6.375 11.938 3.844 1.00 0.00 O ATOM 1753 ND2 ASN B 130 -5.285 13.832 3.634 1.00 0.00 N ATOM 0 H ASN B 130 -8.681 13.504 4.874 1.00 0.00 H new ATOM 0 HA ASN B 130 -9.498 13.624 2.102 1.00 0.00 H new ATOM 0 HB2 ASN B 130 -7.230 13.504 1.532 1.00 0.00 H new ATOM 0 HB3 ASN B 130 -7.471 14.740 2.750 1.00 0.00 H new ATOM 0 HD21 ASN B 130 -4.494 13.479 4.172 1.00 0.00 H new ATOM 0 HD22 ASN B 130 -5.266 14.782 3.264 1.00 0.00 H new ATOM 1760 N CYS B 131 -9.181 10.905 3.719 1.00 0.00 N ATOM 1761 CA CYS B 131 -9.408 9.475 3.697 1.00 0.00 C ATOM 1762 C CYS B 131 -10.793 9.179 3.170 1.00 0.00 C ATOM 1763 O CYS B 131 -10.957 8.290 2.378 1.00 0.00 O ATOM 1764 CB CYS B 131 -9.246 8.893 5.102 1.00 0.00 C ATOM 1765 SG CYS B 131 -9.558 7.126 5.279 1.00 0.00 S ATOM 0 H CYS B 131 -9.151 11.298 4.660 1.00 0.00 H new ATOM 0 HA CYS B 131 -8.672 9.013 3.039 1.00 0.00 H new ATOM 0 HB2 CYS B 131 -8.230 9.096 5.441 1.00 0.00 H new ATOM 0 HB3 CYS B 131 -9.919 9.428 5.773 1.00 0.00 H new ATOM 0 HG CYS B 131 -9.590 6.815 6.541 1.00 0.00 H new ATOM 1771 N ARG B 132 -11.789 9.944 3.606 1.00 0.00 N ATOM 1772 CA ARG B 132 -13.158 9.747 3.125 1.00 0.00 C ATOM 1773 C ARG B 132 -13.239 10.083 1.642 1.00 0.00 C ATOM 1774 O ARG B 132 -13.829 9.343 0.839 1.00 0.00 O ATOM 1775 CB ARG B 132 -14.161 10.571 3.960 1.00 0.00 C ATOM 1776 CG ARG B 132 -13.976 12.081 3.914 1.00 0.00 C ATOM 1777 CD ARG B 132 -14.964 12.748 2.959 1.00 0.00 C ATOM 1778 NE ARG B 132 -16.358 12.529 3.368 1.00 0.00 N ATOM 1779 CZ ARG B 132 -17.426 12.727 2.591 1.00 0.00 C ATOM 1780 NH1 ARG B 132 -17.276 13.157 1.355 1.00 0.00 N ATOM 1781 NH2 ARG B 132 -18.643 12.490 3.057 1.00 0.00 N ATOM 0 H ARG B 132 -11.680 10.698 4.284 1.00 0.00 H new ATOM 0 HA ARG B 132 -13.431 8.699 3.248 1.00 0.00 H new ATOM 0 HB2 ARG B 132 -15.169 10.337 3.618 1.00 0.00 H new ATOM 0 HB3 ARG B 132 -14.093 10.247 4.998 1.00 0.00 H new ATOM 0 HG2 ARG B 132 -14.104 12.493 4.915 1.00 0.00 H new ATOM 0 HG3 ARG B 132 -12.957 12.312 3.602 1.00 0.00 H new ATOM 0 HD2 ARG B 132 -14.762 13.818 2.918 1.00 0.00 H new ATOM 0 HD3 ARG B 132 -14.816 12.357 1.952 1.00 0.00 H new ATOM 0 HE ARG B 132 -16.523 12.200 4.319 1.00 0.00 H new ATOM 0 HH11 ARG B 132 -16.342 13.340 0.988 1.00 0.00 H new ATOM 0 HH12 ARG B 132 -18.094 13.307 0.764 1.00 0.00 H new ATOM 0 HH21 ARG B 132 -18.767 12.155 4.012 1.00 0.00 H new ATOM 0 HH22 ARG B 132 -19.456 12.642 2.460 1.00 0.00 H new ATOM 1795 N SER B 133 -12.596 11.174 1.284 1.00 0.00 N ATOM 1796 CA SER B 133 -12.525 11.605 -0.086 1.00 0.00 C ATOM 1797 C SER B 133 -11.783 10.536 -0.927 1.00 0.00 C ATOM 1798 O SER B 133 -12.192 10.171 -2.052 1.00 0.00 O ATOM 1799 CB SER B 133 -11.786 12.938 -0.113 1.00 0.00 C ATOM 1800 OG SER B 133 -12.447 13.906 0.710 1.00 0.00 O ATOM 0 H SER B 133 -12.109 11.785 1.940 1.00 0.00 H new ATOM 0 HA SER B 133 -13.520 11.730 -0.513 1.00 0.00 H new ATOM 0 HB2 SER B 133 -10.762 12.798 0.234 1.00 0.00 H new ATOM 0 HB3 SER B 133 -11.728 13.305 -1.138 1.00 0.00 H new ATOM 0 HG SER B 133 -12.144 13.808 1.637 1.00 0.00 H new ATOM 1806 N LEU B 134 -10.743 9.992 -0.335 1.00 0.00 N ATOM 1807 CA LEU B 134 -9.907 8.990 -0.970 1.00 0.00 C ATOM 1808 C LEU B 134 -10.700 7.726 -1.154 1.00 0.00 C ATOM 1809 O LEU B 134 -10.614 7.081 -2.154 1.00 0.00 O ATOM 1810 CB LEU B 134 -8.723 8.657 -0.090 1.00 0.00 C ATOM 1811 CG LEU B 134 -7.566 7.977 -0.792 1.00 0.00 C ATOM 1812 CD1 LEU B 134 -6.711 8.980 -1.550 1.00 0.00 C ATOM 1813 CD2 LEU B 134 -6.763 7.160 0.170 1.00 0.00 C ATOM 0 H LEU B 134 -10.448 10.234 0.611 1.00 0.00 H new ATOM 0 HA LEU B 134 -9.565 9.385 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU B 134 -8.359 9.578 0.366 1.00 0.00 H new ATOM 0 HB3 LEU B 134 -9.064 8.013 0.721 1.00 0.00 H new ATOM 0 HG LEU B 134 -7.975 7.291 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU B 134 -5.890 8.459 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU B 134 -7.321 9.486 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU B 134 -6.309 9.715 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU B 134 -5.938 6.682 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU B 134 -6.366 7.806 0.953 1.00 0.00 H new ATOM 0 HD23 LEU B 134 -7.399 6.396 0.617 1.00 0.00 H new ATOM 1825 N MET B 135 -11.497 7.437 -0.174 1.00 0.00 N ATOM 1826 CA MET B 135 -12.322 6.254 -0.097 1.00 0.00 C ATOM 1827 C MET B 135 -13.328 6.231 -1.219 1.00 0.00 C ATOM 1828 O MET B 135 -13.770 5.178 -1.662 1.00 0.00 O ATOM 1829 CB MET B 135 -12.981 6.227 1.267 1.00 0.00 C ATOM 1830 CG MET B 135 -13.562 4.907 1.674 1.00 0.00 C ATOM 1831 SD MET B 135 -13.884 4.843 3.449 1.00 0.00 S ATOM 1832 CE MET B 135 -12.228 5.168 4.110 1.00 0.00 C ATOM 0 H MET B 135 -11.601 8.045 0.639 1.00 0.00 H new ATOM 0 HA MET B 135 -11.715 5.356 -0.214 1.00 0.00 H new ATOM 0 HB2 MET B 135 -12.245 6.527 2.013 1.00 0.00 H new ATOM 0 HB3 MET B 135 -13.774 6.975 1.283 1.00 0.00 H new ATOM 0 HG2 MET B 135 -14.490 4.733 1.129 1.00 0.00 H new ATOM 0 HG3 MET B 135 -12.876 4.106 1.399 1.00 0.00 H new ATOM 0 HE1 MET B 135 -11.879 4.295 4.662 1.00 0.00 H new ATOM 0 HE2 MET B 135 -11.543 5.376 3.288 1.00 0.00 H new ATOM 0 HE3 MET B 135 -12.265 6.028 4.778 1.00 0.00 H new ATOM 1842 N HIS B 136 -13.713 7.397 -1.655 1.00 0.00 N ATOM 1843 CA HIS B 136 -14.606 7.508 -2.780 1.00 0.00 C ATOM 1844 C HIS B 136 -13.867 7.624 -4.106 1.00 0.00 C ATOM 1845 O HIS B 136 -14.466 7.471 -5.157 1.00 0.00 O ATOM 1846 CB HIS B 136 -15.574 8.657 -2.614 1.00 0.00 C ATOM 1847 CG HIS B 136 -16.639 8.414 -1.593 1.00 0.00 C ATOM 1848 ND1 HIS B 136 -17.974 8.560 -1.860 1.00 0.00 N ATOM 1849 CD2 HIS B 136 -16.556 8.055 -0.290 1.00 0.00 C ATOM 1850 CE1 HIS B 136 -18.671 8.312 -0.775 1.00 0.00 C ATOM 1851 NE2 HIS B 136 -17.839 8.001 0.193 1.00 0.00 N ATOM 0 H HIS B 136 -13.424 8.287 -1.250 1.00 0.00 H new ATOM 0 HA HIS B 136 -15.175 6.579 -2.804 1.00 0.00 H new ATOM 0 HB2 HIS B 136 -15.016 9.551 -2.336 1.00 0.00 H new ATOM 0 HB3 HIS B 136 -16.046 8.862 -3.575 1.00 0.00 H new ATOM 0 HD2 HIS B 136 -15.652 7.850 0.264 1.00 0.00 H new ATOM 0 HE1 HIS B 136 -19.747 8.356 -0.692 1.00 0.00 H new ATOM 0 HE2 HIS B 136 -18.104 7.759 1.148 1.00 0.00 H new ATOM 1860 N HIS B 137 -12.582 7.918 -4.073 1.00 0.00 N ATOM 1861 CA HIS B 137 -11.822 8.025 -5.325 1.00 0.00 C ATOM 1862 C HIS B 137 -10.942 6.817 -5.602 1.00 0.00 C ATOM 1863 O HIS B 137 -10.506 6.592 -6.738 1.00 0.00 O ATOM 1864 CB HIS B 137 -11.000 9.312 -5.388 1.00 0.00 C ATOM 1865 CG HIS B 137 -11.799 10.539 -5.717 1.00 0.00 C ATOM 1866 ND1 HIS B 137 -12.020 10.962 -7.008 1.00 0.00 N ATOM 1867 CD2 HIS B 137 -12.410 11.447 -4.920 1.00 0.00 C ATOM 1868 CE1 HIS B 137 -12.725 12.074 -6.991 1.00 0.00 C ATOM 1869 NE2 HIS B 137 -12.974 12.389 -5.734 1.00 0.00 N ATOM 0 H HIS B 137 -12.044 8.085 -3.222 1.00 0.00 H new ATOM 0 HA HIS B 137 -12.573 8.057 -6.114 1.00 0.00 H new ATOM 0 HB2 HIS B 137 -10.506 9.461 -4.428 1.00 0.00 H new ATOM 0 HB3 HIS B 137 -10.216 9.192 -6.135 1.00 0.00 H new ATOM 0 HD2 HIS B 137 -12.445 11.430 -3.841 1.00 0.00 H new ATOM 0 HE1 HIS B 137 -13.045 12.633 -7.858 1.00 0.00 H new ATOM 0 HE2 HIS B 137 -13.502 13.204 -5.421 1.00 0.00 H new ATOM 1878 N VAL B 138 -10.706 6.046 -4.595 1.00 0.00 N ATOM 1879 CA VAL B 138 -9.807 4.915 -4.662 1.00 0.00 C ATOM 1880 C VAL B 138 -10.548 3.664 -4.225 1.00 0.00 C ATOM 1881 O VAL B 138 -11.472 3.743 -3.421 1.00 0.00 O ATOM 1882 CB VAL B 138 -8.563 5.142 -3.718 1.00 0.00 C ATOM 1883 CG1 VAL B 138 -7.581 3.996 -3.779 1.00 0.00 C ATOM 1884 CG2 VAL B 138 -7.842 6.422 -4.075 1.00 0.00 C ATOM 0 H VAL B 138 -11.135 6.176 -3.679 1.00 0.00 H new ATOM 0 HA VAL B 138 -9.454 4.803 -5.687 1.00 0.00 H new ATOM 0 HB VAL B 138 -8.956 5.207 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL B 138 -6.743 4.199 -3.112 1.00 0.00 H new ATOM 0 HG12 VAL B 138 -8.076 3.076 -3.469 1.00 0.00 H new ATOM 0 HG13 VAL B 138 -7.214 3.885 -4.799 1.00 0.00 H new ATOM 0 HG21 VAL B 138 -6.989 6.556 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL B 138 -7.494 6.368 -5.106 1.00 0.00 H new ATOM 0 HG23 VAL B 138 -8.523 7.266 -3.966 1.00 0.00 H new ATOM 1894 N LYS B 139 -10.189 2.538 -4.797 1.00 0.00 N ATOM 1895 CA LYS B 139 -10.743 1.266 -4.384 1.00 0.00 C ATOM 1896 C LYS B 139 -10.116 0.854 -3.059 1.00 0.00 C ATOM 1897 O LYS B 139 -10.807 0.675 -2.056 1.00 0.00 O ATOM 1898 CB LYS B 139 -10.455 0.206 -5.430 1.00 0.00 C ATOM 1899 CG LYS B 139 -10.898 -1.164 -5.013 1.00 0.00 C ATOM 1900 CD LYS B 139 -10.464 -2.221 -5.986 1.00 0.00 C ATOM 1901 CE LYS B 139 -10.858 -3.575 -5.477 1.00 0.00 C ATOM 1902 NZ LYS B 139 -12.317 -3.755 -5.420 1.00 0.00 N ATOM 0 H LYS B 139 -9.510 2.476 -5.556 1.00 0.00 H new ATOM 0 HA LYS B 139 -11.822 1.365 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS B 139 -10.955 0.476 -6.360 1.00 0.00 H new ATOM 0 HB3 LYS B 139 -9.385 0.189 -5.637 1.00 0.00 H new ATOM 0 HG2 LYS B 139 -10.492 -1.391 -4.027 1.00 0.00 H new ATOM 0 HG3 LYS B 139 -11.984 -1.181 -4.922 1.00 0.00 H new ATOM 0 HD2 LYS B 139 -10.921 -2.042 -6.959 1.00 0.00 H new ATOM 0 HD3 LYS B 139 -9.384 -2.176 -6.128 1.00 0.00 H new ATOM 0 HE2 LYS B 139 -10.426 -4.341 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS B 139 -10.438 -3.721 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 139 -12.542 -4.770 -5.430 1.00 0.00 H new ATOM 0 HZ2 LYS B 139 -12.686 -3.328 -4.547 1.00 0.00 H new ATOM 0 HZ3 LYS B 139 -12.756 -3.295 -6.243 1.00 0.00 H new ATOM 1916 N ASN B 140 -8.811 0.659 -3.100 1.00 0.00 N ATOM 1917 CA ASN B 140 -7.995 0.372 -1.951 1.00 0.00 C ATOM 1918 C ASN B 140 -6.543 0.481 -2.417 1.00 0.00 C ATOM 1919 O ASN B 140 -6.322 0.908 -3.562 1.00 0.00 O ATOM 1920 CB ASN B 140 -8.312 -1.035 -1.344 1.00 0.00 C ATOM 1921 CG ASN B 140 -7.590 -1.290 -0.002 1.00 0.00 C ATOM 1922 OD1 ASN B 140 -7.266 -0.370 0.718 1.00 0.00 O ATOM 1923 ND2 ASN B 140 -7.335 -2.506 0.330 1.00 0.00 N ATOM 0 H ASN B 140 -8.278 0.699 -3.969 1.00 0.00 H new ATOM 0 HA ASN B 140 -8.197 1.079 -1.146 1.00 0.00 H new ATOM 0 HB2 ASN B 140 -9.388 -1.126 -1.194 1.00 0.00 H new ATOM 0 HB3 ASN B 140 -8.023 -1.806 -2.058 1.00 0.00 H new ATOM 0 HD21 ASN B 140 -6.855 -2.705 1.208 1.00 0.00 H new ATOM 0 HD22 ASN B 140 -7.613 -3.271 -0.284 1.00 0.00 H new ATOM 1930 N ILE B 141 -5.607 0.108 -1.543 1.00 0.00 N ATOM 1931 CA ILE B 141 -4.130 0.075 -1.710 1.00 0.00 C ATOM 1932 C ILE B 141 -3.640 0.168 -3.154 1.00 0.00 C ATOM 1933 O ILE B 141 -2.889 1.081 -3.483 1.00 0.00 O ATOM 1934 CB ILE B 141 -3.592 -1.256 -1.133 1.00 0.00 C ATOM 1935 CG1 ILE B 141 -3.990 -1.418 0.333 1.00 0.00 C ATOM 1936 CG2 ILE B 141 -2.065 -1.362 -1.292 1.00 0.00 C ATOM 1937 CD1 ILE B 141 -3.602 -2.754 0.926 1.00 0.00 C ATOM 0 H ILE B 141 -5.874 -0.210 -0.611 1.00 0.00 H new ATOM 0 HA ILE B 141 -3.761 0.958 -1.188 1.00 0.00 H new ATOM 0 HB ILE B 141 -4.046 -2.066 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE B 141 -3.525 -0.623 0.916 1.00 0.00 H new ATOM 0 HG13 ILE B 141 -5.069 -1.290 0.423 1.00 0.00 H new ATOM 0 HG21 ILE B 141 -1.721 -2.309 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE B 141 -1.805 -1.314 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE B 141 -1.586 -0.538 -0.763 1.00 0.00 H new ATOM 0 HD11 ILE B 141 -3.917 -2.795 1.969 1.00 0.00 H new ATOM 0 HD12 ILE B 141 -4.088 -3.555 0.368 1.00 0.00 H new ATOM 0 HD13 ILE B 141 -2.520 -2.877 0.869 1.00 0.00 H new ATOM 1949 N ALA B 142 -4.086 -0.765 -4.006 1.00 0.00 N ATOM 1950 CA ALA B 142 -3.622 -0.820 -5.398 1.00 0.00 C ATOM 1951 C ALA B 142 -3.800 0.473 -6.136 1.00 0.00 C ATOM 1952 O ALA B 142 -2.863 0.999 -6.701 1.00 0.00 O ATOM 1953 CB ALA B 142 -4.313 -1.914 -6.140 1.00 0.00 C ATOM 0 H ALA B 142 -4.763 -1.487 -3.758 1.00 0.00 H new ATOM 0 HA ALA B 142 -2.551 -1.018 -5.348 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.955 -1.938 -7.169 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -4.101 -2.869 -5.660 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -5.388 -1.735 -6.134 1.00 0.00 H new ATOM 1959 N GLU B 143 -4.983 0.997 -6.083 1.00 0.00 N ATOM 1960 CA GLU B 143 -5.319 2.168 -6.835 1.00 0.00 C ATOM 1961 C GLU B 143 -4.699 3.382 -6.197 1.00 0.00 C ATOM 1962 O GLU B 143 -4.334 4.304 -6.879 1.00 0.00 O ATOM 1963 CB GLU B 143 -6.821 2.307 -6.957 1.00 0.00 C ATOM 1964 CG GLU B 143 -7.555 1.011 -7.316 1.00 0.00 C ATOM 1965 CD GLU B 143 -6.965 0.254 -8.489 1.00 0.00 C ATOM 1966 OE1 GLU B 143 -6.768 0.858 -9.556 1.00 0.00 O ATOM 1967 OE2 GLU B 143 -6.751 -0.997 -8.361 1.00 0.00 O ATOM 0 H GLU B 143 -5.746 0.626 -5.517 1.00 0.00 H new ATOM 0 HA GLU B 143 -4.917 2.074 -7.844 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -7.216 2.683 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -7.043 3.057 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -7.558 0.357 -6.444 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -8.595 1.248 -7.540 1.00 0.00 H new ATOM 1974 N LEU B 144 -4.561 3.353 -4.878 1.00 0.00 N ATOM 1975 CA LEU B 144 -3.908 4.435 -4.149 1.00 0.00 C ATOM 1976 C LEU B 144 -2.461 4.538 -4.581 1.00 0.00 C ATOM 1977 O LEU B 144 -1.949 5.620 -4.843 1.00 0.00 O ATOM 1978 CB LEU B 144 -3.989 4.196 -2.630 1.00 0.00 C ATOM 1979 CG LEU B 144 -3.195 5.163 -1.742 1.00 0.00 C ATOM 1980 CD1 LEU B 144 -3.601 6.604 -2.002 1.00 0.00 C ATOM 1981 CD2 LEU B 144 -3.394 4.815 -0.286 1.00 0.00 C ATOM 0 H LEU B 144 -4.893 2.590 -4.288 1.00 0.00 H new ATOM 0 HA LEU B 144 -4.422 5.369 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU B 144 -5.037 4.242 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU B 144 -3.644 3.183 -2.425 1.00 0.00 H new ATOM 0 HG LEU B 144 -2.138 5.062 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU B 144 -3.022 7.267 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU B 144 -3.410 6.853 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU B 144 -4.663 6.727 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU B 144 -2.826 5.508 0.335 1.00 0.00 H new ATOM 0 HD22 LEU B 144 -4.452 4.888 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU B 144 -3.048 3.798 -0.104 1.00 0.00 H new ATOM 1993 N ALA B 145 -1.833 3.400 -4.710 1.00 0.00 N ATOM 1994 CA ALA B 145 -0.469 3.339 -5.081 1.00 0.00 C ATOM 1995 C ALA B 145 -0.289 3.514 -6.584 1.00 0.00 C ATOM 1996 O ALA B 145 0.826 3.745 -7.076 1.00 0.00 O ATOM 1997 CB ALA B 145 0.139 2.051 -4.583 1.00 0.00 C ATOM 0 H ALA B 145 -2.268 2.490 -4.557 1.00 0.00 H new ATOM 0 HA ALA B 145 0.059 4.169 -4.611 1.00 0.00 H new ATOM 0 HB1 ALA B 145 1.189 2.009 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA B 145 0.059 2.007 -3.497 1.00 0.00 H new ATOM 0 HB3 ALA B 145 -0.391 1.205 -5.021 1.00 0.00 H new ATOM 2003 N ALA B 146 -1.393 3.413 -7.301 1.00 0.00 N ATOM 2004 CA ALA B 146 -1.401 3.571 -8.731 1.00 0.00 C ATOM 2005 C ALA B 146 -1.664 5.011 -9.107 1.00 0.00 C ATOM 2006 O ALA B 146 -1.377 5.429 -10.234 1.00 0.00 O ATOM 2007 CB ALA B 146 -2.434 2.658 -9.373 1.00 0.00 C ATOM 0 H ALA B 146 -2.310 3.218 -6.899 1.00 0.00 H new ATOM 0 HA ALA B 146 -0.417 3.289 -9.106 1.00 0.00 H new ATOM 0 HB1 ALA B 146 -2.420 2.796 -10.454 1.00 0.00 H new ATOM 0 HB2 ALA B 146 -2.199 1.620 -9.137 1.00 0.00 H new ATOM 0 HB3 ALA B 146 -3.424 2.902 -8.989 1.00 0.00 H new ATOM 2013 N LEU B 147 -2.241 5.764 -8.191 1.00 0.00 N ATOM 2014 CA LEU B 147 -2.501 7.159 -8.438 1.00 0.00 C ATOM 2015 C LEU B 147 -1.228 8.012 -8.404 1.00 0.00 C ATOM 2016 O LEU B 147 -0.220 7.650 -7.778 1.00 0.00 O ATOM 2017 CB LEU B 147 -3.515 7.733 -7.460 1.00 0.00 C ATOM 2018 CG LEU B 147 -4.921 7.167 -7.529 1.00 0.00 C ATOM 2019 CD1 LEU B 147 -5.799 7.851 -6.511 1.00 0.00 C ATOM 2020 CD2 LEU B 147 -5.515 7.323 -8.918 1.00 0.00 C ATOM 0 H LEU B 147 -2.536 5.430 -7.273 1.00 0.00 H new ATOM 0 HA LEU B 147 -2.916 7.201 -9.445 1.00 0.00 H new ATOM 0 HB2 LEU B 147 -3.136 7.582 -6.449 1.00 0.00 H new ATOM 0 HB3 LEU B 147 -3.573 8.809 -7.622 1.00 0.00 H new ATOM 0 HG LEU B 147 -4.868 6.101 -7.306 1.00 0.00 H new ATOM 0 HD11 LEU B 147 -6.807 7.440 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU B 147 -5.394 7.687 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU B 147 -5.831 8.921 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU B 147 -6.522 6.907 -8.932 1.00 0.00 H new ATOM 0 HD22 LEU B 147 -5.555 8.380 -9.180 1.00 0.00 H new ATOM 0 HD23 LEU B 147 -4.894 6.794 -9.641 1.00 0.00 H new ATOM 2032 N SER B 148 -1.288 9.137 -9.078 1.00 0.00 N ATOM 2033 CA SER B 148 -0.204 10.088 -9.110 1.00 0.00 C ATOM 2034 C SER B 148 -0.389 11.101 -7.964 1.00 0.00 C ATOM 2035 O SER B 148 -1.466 11.157 -7.345 1.00 0.00 O ATOM 2036 CB SER B 148 -0.240 10.802 -10.456 1.00 0.00 C ATOM 2037 OG SER B 148 -0.328 9.853 -11.503 1.00 0.00 O ATOM 0 H SER B 148 -2.101 9.420 -9.625 1.00 0.00 H new ATOM 0 HA SER B 148 0.756 9.588 -8.984 1.00 0.00 H new ATOM 0 HB2 SER B 148 -1.093 11.480 -10.495 1.00 0.00 H new ATOM 0 HB3 SER B 148 0.656 11.410 -10.579 1.00 0.00 H new ATOM 0 HG SER B 148 -0.352 10.318 -12.365 1.00 0.00 H new ATOM 2043 N GLN B 149 0.620 11.922 -7.700 1.00 0.00 N ATOM 2044 CA GLN B 149 0.542 12.903 -6.631 1.00 0.00 C ATOM 2045 C GLN B 149 -0.484 13.983 -6.988 1.00 0.00 C ATOM 2046 O GLN B 149 -1.079 14.607 -6.113 1.00 0.00 O ATOM 2047 CB GLN B 149 1.903 13.546 -6.377 1.00 0.00 C ATOM 2048 CG GLN B 149 1.918 14.429 -5.146 1.00 0.00 C ATOM 2049 CD GLN B 149 3.162 15.272 -5.010 1.00 0.00 C ATOM 2050 OE1 GLN B 149 4.256 14.889 -5.437 1.00 0.00 O ATOM 2051 NE2 GLN B 149 3.004 16.435 -4.435 1.00 0.00 N ATOM 0 H GLN B 149 1.501 11.926 -8.213 1.00 0.00 H new ATOM 0 HA GLN B 149 0.230 12.391 -5.721 1.00 0.00 H new ATOM 0 HB2 GLN B 149 2.654 12.764 -6.266 1.00 0.00 H new ATOM 0 HB3 GLN B 149 2.187 14.139 -7.247 1.00 0.00 H new ATOM 0 HG2 GLN B 149 1.048 15.085 -5.172 1.00 0.00 H new ATOM 0 HG3 GLN B 149 1.818 13.802 -4.260 1.00 0.00 H new ATOM 0 HE21 GLN B 149 2.084 16.715 -4.095 1.00 0.00 H new ATOM 0 HE22 GLN B 149 3.801 17.062 -4.326 1.00 0.00 H new ATOM 2060 N ASP B 150 -0.699 14.168 -8.284 1.00 0.00 N ATOM 2061 CA ASP B 150 -1.679 15.131 -8.815 1.00 0.00 C ATOM 2062 C ASP B 150 -3.049 14.758 -8.303 1.00 0.00 C ATOM 2063 O ASP B 150 -3.814 15.601 -7.811 1.00 0.00 O ATOM 2064 CB ASP B 150 -1.712 15.067 -10.348 1.00 0.00 C ATOM 2065 CG ASP B 150 -0.366 15.248 -10.987 1.00 0.00 C ATOM 2066 OD1 ASP B 150 0.465 14.324 -10.903 1.00 0.00 O ATOM 2067 OD2 ASP B 150 -0.098 16.305 -11.593 1.00 0.00 O ATOM 0 H ASP B 150 -0.199 13.654 -9.009 1.00 0.00 H new ATOM 0 HA ASP B 150 -1.398 16.135 -8.496 1.00 0.00 H new ATOM 0 HB2 ASP B 150 -2.124 14.105 -10.654 1.00 0.00 H new ATOM 0 HB3 ASP B 150 -2.388 15.836 -10.721 1.00 0.00 H new ATOM 2072 N GLU B 151 -3.323 13.464 -8.370 1.00 0.00 N ATOM 2073 CA GLU B 151 -4.576 12.895 -7.925 1.00 0.00 C ATOM 2074 C GLU B 151 -4.733 13.114 -6.445 1.00 0.00 C ATOM 2075 O GLU B 151 -5.771 13.559 -5.987 1.00 0.00 O ATOM 2076 CB GLU B 151 -4.617 11.404 -8.230 1.00 0.00 C ATOM 2077 CG GLU B 151 -4.525 11.079 -9.702 1.00 0.00 C ATOM 2078 CD GLU B 151 -5.665 11.680 -10.481 1.00 0.00 C ATOM 2079 OE1 GLU B 151 -6.829 11.309 -10.239 1.00 0.00 O ATOM 2080 OE2 GLU B 151 -5.417 12.556 -11.329 1.00 0.00 O ATOM 0 H GLU B 151 -2.669 12.774 -8.741 1.00 0.00 H new ATOM 0 HA GLU B 151 -5.393 13.385 -8.454 1.00 0.00 H new ATOM 0 HB2 GLU B 151 -3.796 10.913 -7.707 1.00 0.00 H new ATOM 0 HB3 GLU B 151 -5.542 10.987 -7.833 1.00 0.00 H new ATOM 0 HG2 GLU B 151 -3.579 11.450 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU B 151 -4.524 9.997 -9.836 1.00 0.00 H new ATOM 2087 N LEU B 152 -3.674 12.847 -5.705 1.00 0.00 N ATOM 2088 CA LEU B 152 -3.694 13.022 -4.270 1.00 0.00 C ATOM 2089 C LEU B 152 -3.920 14.484 -3.910 1.00 0.00 C ATOM 2090 O LEU B 152 -4.680 14.780 -3.026 1.00 0.00 O ATOM 2091 CB LEU B 152 -2.418 12.491 -3.612 1.00 0.00 C ATOM 2092 CG LEU B 152 -2.106 11.009 -3.825 1.00 0.00 C ATOM 2093 CD1 LEU B 152 -0.847 10.616 -3.080 1.00 0.00 C ATOM 2094 CD2 LEU B 152 -3.276 10.130 -3.409 1.00 0.00 C ATOM 0 H LEU B 152 -2.787 12.507 -6.078 1.00 0.00 H new ATOM 0 HA LEU B 152 -4.527 12.436 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU B 152 -1.575 13.074 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU B 152 -2.485 12.675 -2.540 1.00 0.00 H new ATOM 0 HG LEU B 152 -1.939 10.854 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU B 152 -0.642 9.558 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU B 152 -0.008 11.209 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU B 152 -0.983 10.798 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU B 152 -3.021 9.083 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU B 152 -3.493 10.289 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU B 152 -4.153 10.387 -4.002 1.00 0.00 H new ATOM 2106 N THR B 153 -3.302 15.390 -4.635 1.00 0.00 N ATOM 2107 CA THR B 153 -3.472 16.812 -4.372 1.00 0.00 C ATOM 2108 C THR B 153 -4.929 17.213 -4.604 1.00 0.00 C ATOM 2109 O THR B 153 -5.464 18.037 -3.902 1.00 0.00 O ATOM 2110 CB THR B 153 -2.574 17.668 -5.274 1.00 0.00 C ATOM 2111 OG1 THR B 153 -1.222 17.163 -5.229 1.00 0.00 O ATOM 2112 CG2 THR B 153 -2.564 19.116 -4.797 1.00 0.00 C ATOM 0 H THR B 153 -2.677 15.173 -5.411 1.00 0.00 H new ATOM 0 HA THR B 153 -3.189 16.988 -3.334 1.00 0.00 H new ATOM 0 HB THR B 153 -2.964 17.622 -6.291 1.00 0.00 H new ATOM 0 HG1 THR B 153 -1.197 16.261 -5.612 1.00 0.00 H new ATOM 0 HG21 THR B 153 -1.922 19.709 -5.448 1.00 0.00 H new ATOM 0 HG22 THR B 153 -3.578 19.515 -4.825 1.00 0.00 H new ATOM 0 HG23 THR B 153 -2.185 19.160 -3.776 1.00 0.00 H new ATOM 2120 N SER B 154 -5.554 16.582 -5.560 1.00 0.00 N ATOM 2121 CA SER B 154 -6.900 16.844 -5.891 1.00 0.00 C ATOM 2122 C SER B 154 -7.848 16.270 -4.813 1.00 0.00 C ATOM 2123 O SER B 154 -8.784 16.943 -4.350 1.00 0.00 O ATOM 2124 CB SER B 154 -7.157 16.236 -7.254 1.00 0.00 C ATOM 2125 OG SER B 154 -6.275 16.790 -8.239 1.00 0.00 O ATOM 0 H SER B 154 -5.120 15.859 -6.134 1.00 0.00 H new ATOM 0 HA SER B 154 -7.092 17.916 -5.927 1.00 0.00 H new ATOM 0 HB2 SER B 154 -7.021 15.156 -7.206 1.00 0.00 H new ATOM 0 HB3 SER B 154 -8.192 16.414 -7.546 1.00 0.00 H new ATOM 0 HG SER B 154 -5.394 16.368 -8.164 1.00 0.00 H new ATOM 2131 N ILE B 155 -7.578 15.044 -4.403 1.00 0.00 N ATOM 2132 CA ILE B 155 -8.388 14.344 -3.419 1.00 0.00 C ATOM 2133 C ILE B 155 -8.189 14.916 -2.013 1.00 0.00 C ATOM 2134 O ILE B 155 -9.152 15.208 -1.310 1.00 0.00 O ATOM 2135 CB ILE B 155 -8.041 12.832 -3.400 1.00 0.00 C ATOM 2136 CG1 ILE B 155 -8.300 12.202 -4.772 1.00 0.00 C ATOM 2137 CG2 ILE B 155 -8.852 12.114 -2.331 1.00 0.00 C ATOM 2138 CD1 ILE B 155 -7.793 10.778 -4.899 1.00 0.00 C ATOM 0 H ILE B 155 -6.785 14.501 -4.745 1.00 0.00 H new ATOM 0 HA ILE B 155 -9.430 14.481 -3.709 1.00 0.00 H new ATOM 0 HB ILE B 155 -6.982 12.727 -3.165 1.00 0.00 H new ATOM 0 HG12 ILE B 155 -9.372 12.215 -4.971 1.00 0.00 H new ATOM 0 HG13 ILE B 155 -7.826 12.816 -5.538 1.00 0.00 H new ATOM 0 HG21 ILE B 155 -8.597 11.054 -2.331 1.00 0.00 H new ATOM 0 HG22 ILE B 155 -8.626 12.542 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE B 155 -9.915 12.231 -2.541 1.00 0.00 H new ATOM 0 HD11 ILE B 155 -8.013 10.401 -5.898 1.00 0.00 H new ATOM 0 HD12 ILE B 155 -6.716 10.759 -4.733 1.00 0.00 H new ATOM 0 HD13 ILE B 155 -8.285 10.149 -4.157 1.00 0.00 H new ATOM 2150 N LEU B 156 -6.941 15.071 -1.620 1.00 0.00 N ATOM 2151 CA LEU B 156 -6.621 15.515 -0.283 1.00 0.00 C ATOM 2152 C LEU B 156 -6.770 17.019 -0.201 1.00 0.00 C ATOM 2153 O LEU B 156 -7.097 17.559 0.841 1.00 0.00 O ATOM 2154 CB LEU B 156 -5.183 15.126 0.118 1.00 0.00 C ATOM 2155 CG LEU B 156 -4.645 13.731 -0.304 1.00 0.00 C ATOM 2156 CD1 LEU B 156 -3.321 13.486 0.341 1.00 0.00 C ATOM 2157 CD2 LEU B 156 -5.595 12.589 -0.002 1.00 0.00 C ATOM 0 H LEU B 156 -6.130 14.894 -2.212 1.00 0.00 H new ATOM 0 HA LEU B 156 -7.310 15.026 0.405 1.00 0.00 H new ATOM 0 HB2 LEU B 156 -4.510 15.878 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU B 156 -5.112 15.194 1.204 1.00 0.00 H new ATOM 0 HG LEU B 156 -4.541 13.754 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU B 156 -2.947 12.507 0.043 1.00 0.00 H new ATOM 0 HD12 LEU B 156 -2.615 14.255 0.027 1.00 0.00 H new ATOM 0 HD13 LEU B 156 -3.433 13.517 1.425 1.00 0.00 H new ATOM 0 HD21 LEU B 156 -5.148 11.649 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU B 156 -5.787 12.549 1.070 1.00 0.00 H new ATOM 0 HD23 LEU B 156 -6.534 12.746 -0.533 1.00 0.00 H new ATOM 2169 N GLY B 157 -6.489 17.677 -1.304 1.00 0.00 N ATOM 2170 CA GLY B 157 -6.624 19.113 -1.401 1.00 0.00 C ATOM 2171 C GLY B 157 -5.405 19.865 -0.931 1.00 0.00 C ATOM 2172 O GLY B 157 -5.422 21.097 -0.845 1.00 0.00 O ATOM 0 H GLY B 157 -6.160 17.230 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY B 157 -6.829 19.381 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY B 157 -7.485 19.429 -0.813 1.00 0.00 H new ATOM 2176 N ASN B 158 -4.339 19.149 -0.623 1.00 0.00 N ATOM 2177 CA ASN B 158 -3.109 19.791 -0.185 1.00 0.00 C ATOM 2178 C ASN B 158 -1.975 19.076 -0.835 1.00 0.00 C ATOM 2179 O ASN B 158 -1.930 17.832 -0.795 1.00 0.00 O ATOM 2180 CB ASN B 158 -2.877 19.688 1.345 1.00 0.00 C ATOM 2181 CG ASN B 158 -4.120 19.616 2.176 1.00 0.00 C ATOM 2182 OD1 ASN B 158 -4.708 20.628 2.562 1.00 0.00 O ATOM 2183 ND2 ASN B 158 -4.469 18.414 2.513 1.00 0.00 N ATOM 0 H ASN B 158 -4.297 18.131 -0.667 1.00 0.00 H new ATOM 0 HA ASN B 158 -3.179 20.846 -0.451 1.00 0.00 H new ATOM 0 HB2 ASN B 158 -2.273 18.803 1.546 1.00 0.00 H new ATOM 0 HB3 ASN B 158 -2.294 20.551 1.667 1.00 0.00 H new ATOM 0 HD21 ASN B 158 -5.269 18.269 3.129 1.00 0.00 H new ATOM 0 HD22 ASN B 158 -3.944 17.613 2.162 1.00 0.00 H new ATOM 2190 N ALA B 159 -1.053 19.820 -1.399 1.00 0.00 N ATOM 2191 CA ALA B 159 0.130 19.245 -2.021 1.00 0.00 C ATOM 2192 C ALA B 159 1.010 18.631 -0.963 1.00 0.00 C ATOM 2193 O ALA B 159 1.730 17.688 -1.229 1.00 0.00 O ATOM 2194 CB ALA B 159 0.917 20.297 -2.774 1.00 0.00 C ATOM 0 H ALA B 159 -1.096 20.838 -1.443 1.00 0.00 H new ATOM 0 HA ALA B 159 -0.195 18.482 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA B 159 1.795 19.838 -3.228 1.00 0.00 H new ATOM 0 HB2 ALA B 159 0.291 20.732 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA B 159 1.232 21.079 -2.083 1.00 0.00 H new ATOM 2200 N ALA B 160 0.894 19.147 0.255 1.00 0.00 N ATOM 2201 CA ALA B 160 1.680 18.684 1.372 1.00 0.00 C ATOM 2202 C ALA B 160 1.348 17.248 1.669 1.00 0.00 C ATOM 2203 O ALA B 160 2.196 16.379 1.572 1.00 0.00 O ATOM 2204 CB ALA B 160 1.397 19.533 2.585 1.00 0.00 C ATOM 0 H ALA B 160 0.247 19.901 0.487 1.00 0.00 H new ATOM 0 HA ALA B 160 2.737 18.763 1.119 1.00 0.00 H new ATOM 0 HB1 ALA B 160 1.994 19.178 3.425 1.00 0.00 H new ATOM 0 HB2 ALA B 160 1.653 20.571 2.371 1.00 0.00 H new ATOM 0 HB3 ALA B 160 0.339 19.465 2.838 1.00 0.00 H new ATOM 2210 N ASN B 161 0.069 17.001 1.947 1.00 0.00 N ATOM 2211 CA ASN B 161 -0.422 15.664 2.263 1.00 0.00 C ATOM 2212 C ASN B 161 -0.155 14.736 1.093 1.00 0.00 C ATOM 2213 O ASN B 161 0.247 13.598 1.274 1.00 0.00 O ATOM 2214 CB ASN B 161 -1.930 15.675 2.520 1.00 0.00 C ATOM 2215 CG ASN B 161 -2.435 16.293 3.820 1.00 0.00 C ATOM 2216 OD1 ASN B 161 -3.525 15.972 4.244 1.00 0.00 O ATOM 2217 ND2 ASN B 161 -1.678 17.126 4.465 1.00 0.00 N ATOM 0 H ASN B 161 -0.653 17.721 1.959 1.00 0.00 H new ATOM 0 HA ASN B 161 0.096 15.323 3.160 1.00 0.00 H new ATOM 0 HB2 ASN B 161 -2.405 16.204 1.693 1.00 0.00 H new ATOM 0 HB3 ASN B 161 -2.282 14.644 2.483 1.00 0.00 H new ATOM 0 HD21 ASN B 161 -1.996 17.525 5.348 1.00 0.00 H new ATOM 0 HD22 ASN B 161 -0.765 17.381 4.089 1.00 0.00 H new ATOM 2224 N ALA B 162 -0.349 15.271 -0.114 1.00 0.00 N ATOM 2225 CA ALA B 162 -0.173 14.526 -1.346 1.00 0.00 C ATOM 2226 C ALA B 162 1.262 14.074 -1.505 1.00 0.00 C ATOM 2227 O ALA B 162 1.505 12.941 -1.851 1.00 0.00 O ATOM 2228 CB ALA B 162 -0.598 15.377 -2.536 1.00 0.00 C ATOM 0 H ALA B 162 -0.634 16.240 -0.257 1.00 0.00 H new ATOM 0 HA ALA B 162 -0.803 13.637 -1.304 1.00 0.00 H new ATOM 0 HB1 ALA B 162 -0.462 14.809 -3.456 1.00 0.00 H new ATOM 0 HB2 ALA B 162 -1.648 15.652 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA B 162 0.011 16.280 -2.574 1.00 0.00 H new ATOM 2234 N LYS B 163 2.205 14.952 -1.203 1.00 0.00 N ATOM 2235 CA LYS B 163 3.604 14.644 -1.344 1.00 0.00 C ATOM 2236 C LYS B 163 4.027 13.662 -0.269 1.00 0.00 C ATOM 2237 O LYS B 163 4.729 12.701 -0.550 1.00 0.00 O ATOM 2238 CB LYS B 163 4.455 15.933 -1.309 1.00 0.00 C ATOM 2239 CG LYS B 163 5.958 15.683 -1.290 1.00 0.00 C ATOM 2240 CD LYS B 163 6.757 16.968 -1.169 1.00 0.00 C ATOM 2241 CE LYS B 163 8.254 16.693 -1.071 1.00 0.00 C ATOM 2242 NZ LYS B 163 8.796 16.046 -2.288 1.00 0.00 N ATOM 0 H LYS B 163 2.015 15.892 -0.855 1.00 0.00 H new ATOM 0 HA LYS B 163 3.770 14.176 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS B 163 4.209 16.542 -2.179 1.00 0.00 H new ATOM 0 HB3 LYS B 163 4.182 16.512 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS B 163 6.204 15.026 -0.456 1.00 0.00 H new ATOM 0 HG3 LYS B 163 6.249 15.162 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS B 163 6.559 17.603 -2.033 1.00 0.00 H new ATOM 0 HD3 LYS B 163 6.429 17.519 -0.287 1.00 0.00 H new ATOM 0 HE2 LYS B 163 8.781 17.631 -0.898 1.00 0.00 H new ATOM 0 HE3 LYS B 163 8.447 16.055 -0.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 9.832 15.989 -2.219 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 8.402 15.088 -2.377 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 8.535 16.606 -3.124 1.00 0.00 H new ATOM 2256 N GLN B 164 3.545 13.894 0.944 1.00 0.00 N ATOM 2257 CA GLN B 164 3.833 13.036 2.089 1.00 0.00 C ATOM 2258 C GLN B 164 3.372 11.600 1.823 1.00 0.00 C ATOM 2259 O GLN B 164 4.149 10.642 1.983 1.00 0.00 O ATOM 2260 CB GLN B 164 3.162 13.603 3.353 1.00 0.00 C ATOM 2261 CG GLN B 164 3.680 14.983 3.741 1.00 0.00 C ATOM 2262 CD GLN B 164 3.020 15.576 4.983 1.00 0.00 C ATOM 2263 OE1 GLN B 164 1.765 15.282 5.186 1.00 0.00 O flip ATOM 2264 NE2 GLN B 164 3.631 16.328 5.734 1.00 0.00 N flip ATOM 0 H GLN B 164 2.941 14.685 1.164 1.00 0.00 H new ATOM 0 HA GLN B 164 4.911 13.015 2.247 1.00 0.00 H new ATOM 0 HB2 GLN B 164 2.086 13.659 3.191 1.00 0.00 H new ATOM 0 HB3 GLN B 164 3.324 12.915 4.182 1.00 0.00 H new ATOM 0 HG2 GLN B 164 4.755 14.920 3.910 1.00 0.00 H new ATOM 0 HG3 GLN B 164 3.528 15.664 2.903 1.00 0.00 H new ATOM 0 HE21 GLN B 164 4.612 16.542 5.554 1.00 0.00 H new ATOM 0 HE22 GLN B 164 3.159 16.739 6.539 1.00 0.00 H new ATOM 2273 N LEU B 165 2.140 11.463 1.361 1.00 0.00 N ATOM 2274 CA LEU B 165 1.577 10.163 1.078 1.00 0.00 C ATOM 2275 C LEU B 165 2.224 9.548 -0.174 1.00 0.00 C ATOM 2276 O LEU B 165 2.634 8.386 -0.150 1.00 0.00 O ATOM 2277 CB LEU B 165 0.029 10.234 0.965 1.00 0.00 C ATOM 2278 CG LEU B 165 -0.694 8.923 0.663 1.00 0.00 C ATOM 2279 CD1 LEU B 165 -0.376 7.880 1.722 1.00 0.00 C ATOM 2280 CD2 LEU B 165 -2.194 9.160 0.592 1.00 0.00 C ATOM 0 H LEU B 165 1.511 12.244 1.175 1.00 0.00 H new ATOM 0 HA LEU B 165 1.802 9.502 1.915 1.00 0.00 H new ATOM 0 HB2 LEU B 165 -0.363 10.632 1.901 1.00 0.00 H new ATOM 0 HB3 LEU B 165 -0.223 10.950 0.183 1.00 0.00 H new ATOM 0 HG LEU B 165 -0.348 8.550 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU B 165 -0.900 6.953 1.489 1.00 0.00 H new ATOM 0 HD12 LEU B 165 0.698 7.695 1.739 1.00 0.00 H new ATOM 0 HD13 LEU B 165 -0.697 8.243 2.698 1.00 0.00 H new ATOM 0 HD21 LEU B 165 -2.701 8.220 0.376 1.00 0.00 H new ATOM 0 HD22 LEU B 165 -2.546 9.551 1.546 1.00 0.00 H new ATOM 0 HD23 LEU B 165 -2.412 9.879 -0.198 1.00 0.00 H new ATOM 2292 N TYR B 166 2.364 10.344 -1.249 1.00 0.00 N ATOM 2293 CA TYR B 166 2.974 9.866 -2.495 1.00 0.00 C ATOM 2294 C TYR B 166 4.384 9.341 -2.248 1.00 0.00 C ATOM 2295 O TYR B 166 4.761 8.269 -2.756 1.00 0.00 O ATOM 2296 CB TYR B 166 3.017 10.988 -3.552 1.00 0.00 C ATOM 2297 CG TYR B 166 3.617 10.587 -4.884 1.00 0.00 C ATOM 2298 CD1 TYR B 166 2.827 10.047 -5.888 1.00 0.00 C ATOM 2299 CD2 TYR B 166 4.975 10.746 -5.134 1.00 0.00 C ATOM 2300 CE1 TYR B 166 3.374 9.679 -7.099 1.00 0.00 C ATOM 2301 CE2 TYR B 166 5.526 10.376 -6.336 1.00 0.00 C ATOM 2302 CZ TYR B 166 4.726 9.846 -7.314 1.00 0.00 C ATOM 2303 OH TYR B 166 5.279 9.467 -8.502 1.00 0.00 O ATOM 0 H TYR B 166 2.063 11.318 -1.277 1.00 0.00 H new ATOM 0 HA TYR B 166 2.356 9.050 -2.870 1.00 0.00 H new ATOM 0 HB2 TYR B 166 2.002 11.347 -3.721 1.00 0.00 H new ATOM 0 HB3 TYR B 166 3.588 11.824 -3.150 1.00 0.00 H new ATOM 0 HD1 TYR B 166 1.769 9.913 -5.719 1.00 0.00 H new ATOM 0 HD2 TYR B 166 5.609 11.169 -4.368 1.00 0.00 H new ATOM 0 HE1 TYR B 166 2.748 9.263 -7.874 1.00 0.00 H new ATOM 0 HE2 TYR B 166 6.584 10.502 -6.510 1.00 0.00 H new ATOM 0 HH TYR B 166 6.241 9.654 -8.490 1.00 0.00 H new ATOM 2313 N ASP B 167 5.149 10.082 -1.474 1.00 0.00 N ATOM 2314 CA ASP B 167 6.529 9.727 -1.175 1.00 0.00 C ATOM 2315 C ASP B 167 6.580 8.387 -0.471 1.00 0.00 C ATOM 2316 O ASP B 167 7.340 7.503 -0.867 1.00 0.00 O ATOM 2317 CB ASP B 167 7.194 10.800 -0.313 1.00 0.00 C ATOM 2318 CG ASP B 167 8.672 10.556 -0.107 1.00 0.00 C ATOM 2319 OD1 ASP B 167 9.051 9.839 0.844 1.00 0.00 O ATOM 2320 OD2 ASP B 167 9.479 11.088 -0.895 1.00 0.00 O ATOM 0 H ASP B 167 4.837 10.947 -1.033 1.00 0.00 H new ATOM 0 HA ASP B 167 7.076 9.657 -2.115 1.00 0.00 H new ATOM 0 HB2 ASP B 167 7.053 11.774 -0.782 1.00 0.00 H new ATOM 0 HB3 ASP B 167 6.698 10.838 0.657 1.00 0.00 H new ATOM 2325 N PHE B 168 5.697 8.209 0.506 1.00 0.00 N ATOM 2326 CA PHE B 168 5.621 6.977 1.283 1.00 0.00 C ATOM 2327 C PHE B 168 5.276 5.768 0.398 1.00 0.00 C ATOM 2328 O PHE B 168 5.736 4.665 0.643 1.00 0.00 O ATOM 2329 CB PHE B 168 4.597 7.136 2.414 1.00 0.00 C ATOM 2330 CG PHE B 168 4.415 5.914 3.272 1.00 0.00 C ATOM 2331 CD1 PHE B 168 5.434 5.476 4.102 1.00 0.00 C ATOM 2332 CD2 PHE B 168 3.227 5.202 3.243 1.00 0.00 C ATOM 2333 CE1 PHE B 168 5.270 4.356 4.887 1.00 0.00 C ATOM 2334 CE2 PHE B 168 3.059 4.081 4.028 1.00 0.00 C ATOM 2335 CZ PHE B 168 4.083 3.656 4.849 1.00 0.00 C ATOM 0 H PHE B 168 5.014 8.915 0.781 1.00 0.00 H new ATOM 0 HA PHE B 168 6.603 6.788 1.717 1.00 0.00 H new ATOM 0 HB2 PHE B 168 4.903 7.967 3.049 1.00 0.00 H new ATOM 0 HB3 PHE B 168 3.634 7.405 1.979 1.00 0.00 H new ATOM 0 HD1 PHE B 168 6.367 6.019 4.134 1.00 0.00 H new ATOM 0 HD2 PHE B 168 2.424 5.528 2.599 1.00 0.00 H new ATOM 0 HE1 PHE B 168 6.071 4.026 5.532 1.00 0.00 H new ATOM 0 HE2 PHE B 168 2.127 3.536 4.000 1.00 0.00 H new ATOM 0 HZ PHE B 168 3.955 2.776 5.461 1.00 0.00 H new ATOM 2345 N ILE B 169 4.474 5.998 -0.624 1.00 0.00 N ATOM 2346 CA ILE B 169 4.067 4.948 -1.558 1.00 0.00 C ATOM 2347 C ILE B 169 5.213 4.540 -2.495 1.00 0.00 C ATOM 2348 O ILE B 169 5.331 3.372 -2.912 1.00 0.00 O ATOM 2349 CB ILE B 169 2.873 5.426 -2.436 1.00 0.00 C ATOM 2350 CG1 ILE B 169 1.669 5.751 -1.570 1.00 0.00 C ATOM 2351 CG2 ILE B 169 2.504 4.371 -3.452 1.00 0.00 C ATOM 2352 CD1 ILE B 169 0.552 6.435 -2.322 1.00 0.00 C ATOM 0 H ILE B 169 4.082 6.916 -0.836 1.00 0.00 H new ATOM 0 HA ILE B 169 3.776 4.090 -0.952 1.00 0.00 H new ATOM 0 HB ILE B 169 3.182 6.329 -2.963 1.00 0.00 H new ATOM 0 HG12 ILE B 169 1.289 4.829 -1.130 1.00 0.00 H new ATOM 0 HG13 ILE B 169 1.986 6.390 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE B 169 1.668 4.724 -4.056 1.00 0.00 H new ATOM 0 HG22 ILE B 169 3.359 4.173 -4.098 1.00 0.00 H new ATOM 0 HG23 ILE B 169 2.218 3.454 -2.937 1.00 0.00 H new ATOM 0 HD11 ILE B 169 -0.275 6.637 -1.641 1.00 0.00 H new ATOM 0 HD12 ILE B 169 0.916 7.374 -2.739 1.00 0.00 H new ATOM 0 HD13 ILE B 169 0.208 5.789 -3.129 1.00 0.00 H new ATOM 2364 N HIS B 170 6.050 5.480 -2.832 1.00 0.00 N ATOM 2365 CA HIS B 170 7.047 5.224 -3.864 1.00 0.00 C ATOM 2366 C HIS B 170 8.479 4.979 -3.348 1.00 0.00 C ATOM 2367 O HIS B 170 9.243 4.286 -4.006 1.00 0.00 O ATOM 2368 CB HIS B 170 6.973 6.285 -4.982 1.00 0.00 C ATOM 2369 CG HIS B 170 5.633 6.283 -5.711 1.00 0.00 C ATOM 2370 ND1 HIS B 170 4.430 6.792 -5.351 1.00 0.00 N flip ATOM 2371 CD2 HIS B 170 5.415 5.659 -6.910 1.00 0.00 C flip ATOM 2372 CE1 HIS B 170 3.528 6.455 -6.321 1.00 0.00 C flip ATOM 2373 NE2 HIS B 170 4.145 5.775 -7.247 1.00 0.00 N flip ATOM 0 H HIS B 170 6.073 6.415 -2.425 1.00 0.00 H new ATOM 0 HA HIS B 170 6.778 4.261 -4.299 1.00 0.00 H new ATOM 0 HB2 HIS B 170 7.146 7.272 -4.552 1.00 0.00 H new ATOM 0 HB3 HIS B 170 7.773 6.105 -5.701 1.00 0.00 H new ATOM 0 HD1 HIS B 170 4.233 7.330 -4.507 1.00 0.00 H new ATOM 0 HD2 HIS B 170 6.169 5.149 -7.492 1.00 0.00 H new ATOM 0 HE1 HIS B 170 2.478 6.710 -6.321 1.00 0.00 H new ATOM 2382 N THR B 171 8.814 5.521 -2.191 1.00 0.00 N ATOM 2383 CA THR B 171 10.125 5.342 -1.564 1.00 0.00 C ATOM 2384 C THR B 171 10.394 3.879 -1.204 1.00 0.00 C ATOM 2385 O THR B 171 9.731 3.322 -0.352 1.00 0.00 O ATOM 2386 CB THR B 171 10.226 6.224 -0.287 1.00 0.00 C ATOM 2387 OG1 THR B 171 10.244 7.620 -0.656 1.00 0.00 O ATOM 2388 CG2 THR B 171 11.451 5.876 0.573 1.00 0.00 C ATOM 0 H THR B 171 8.180 6.107 -1.648 1.00 0.00 H new ATOM 0 HA THR B 171 10.880 5.649 -2.288 1.00 0.00 H new ATOM 0 HB THR B 171 9.346 6.020 0.324 1.00 0.00 H new ATOM 0 HG1 THR B 171 9.784 8.146 0.031 1.00 0.00 H new ATOM 0 HG21 THR B 171 11.474 6.521 1.452 1.00 0.00 H new ATOM 0 HG22 THR B 171 11.390 4.835 0.889 1.00 0.00 H new ATOM 0 HG23 THR B 171 12.359 6.025 -0.010 1.00 0.00 H new ATOM 2396 N SER B 172 11.366 3.287 -1.875 1.00 0.00 N ATOM 2397 CA SER B 172 11.778 1.901 -1.626 1.00 0.00 C ATOM 2398 C SER B 172 12.108 1.705 -0.125 1.00 0.00 C ATOM 2399 O SER B 172 12.700 2.605 0.508 1.00 0.00 O ATOM 2400 CB SER B 172 13.029 1.571 -2.446 1.00 0.00 C ATOM 2401 OG SER B 172 12.941 2.074 -3.775 1.00 0.00 O ATOM 0 H SER B 172 11.899 3.749 -2.612 1.00 0.00 H new ATOM 0 HA SER B 172 10.959 1.242 -1.914 1.00 0.00 H new ATOM 0 HB2 SER B 172 13.906 1.993 -1.956 1.00 0.00 H new ATOM 0 HB3 SER B 172 13.169 0.490 -2.475 1.00 0.00 H new ATOM 0 HG SER B 172 13.758 1.845 -4.266 1.00 0.00 H new ATOM 2407 N PHE B 173 11.778 0.525 0.413 1.00 0.00 N ATOM 2408 CA PHE B 173 11.962 0.182 1.856 1.00 0.00 C ATOM 2409 C PHE B 173 13.391 0.466 2.318 1.00 0.00 C ATOM 2410 O PHE B 173 13.636 0.834 3.478 1.00 0.00 O ATOM 2411 CB PHE B 173 11.684 -1.318 2.092 1.00 0.00 C ATOM 2412 CG PHE B 173 10.483 -1.844 1.366 1.00 0.00 C ATOM 2413 CD1 PHE B 173 9.198 -1.657 1.849 1.00 0.00 C ATOM 2414 CD2 PHE B 173 10.652 -2.511 0.164 1.00 0.00 C ATOM 2415 CE1 PHE B 173 8.119 -2.122 1.136 1.00 0.00 C ATOM 2416 CE2 PHE B 173 9.578 -2.986 -0.540 1.00 0.00 C ATOM 2417 CZ PHE B 173 8.308 -2.790 -0.059 1.00 0.00 C ATOM 0 H PHE B 173 11.371 -0.235 -0.133 1.00 0.00 H new ATOM 0 HA PHE B 173 11.263 0.798 2.421 1.00 0.00 H new ATOM 0 HB2 PHE B 173 12.559 -1.890 1.785 1.00 0.00 H new ATOM 0 HB3 PHE B 173 11.551 -1.487 3.161 1.00 0.00 H new ATOM 0 HD1 PHE B 173 9.044 -1.145 2.787 1.00 0.00 H new ATOM 0 HD2 PHE B 173 11.649 -2.659 -0.225 1.00 0.00 H new ATOM 0 HE1 PHE B 173 7.119 -1.965 1.511 1.00 0.00 H new ATOM 0 HE2 PHE B 173 9.730 -3.513 -1.470 1.00 0.00 H new ATOM 0 HZ PHE B 173 7.457 -3.157 -0.614 1.00 0.00 H new