USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1112 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 TYR OH : rot -32:sc= -0.0949 USER MOD Set 1.2: A 134 ASN : amide:sc= 0 X(o=-0.27,f=-0.66) USER MOD Set 1.3: A 139 ASN : amide:sc= -0.176 K(o=-0.27,f=-1.7!) USER MOD Set 2.1: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 136 HIS : no HE2:sc= 0.651 K(o=0.65,f=-2.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0508 F(o=-0.89,f=-0.051) USER MOD Single : A 26 GLN : amide:sc= 0.893 K(o=0.89,f=-4.4!) USER MOD Single : A 29 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -8:sc= -1.1 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.106) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.742 K(o=0.74,f=-1.1) USER MOD Single : A 56 MET CE :methyl -134:sc= 0 (180deg=-1.08) USER MOD Single : A 62 TYR OH : rot 96:sc= -0.172 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 96:sc= 0.0196 USER MOD Single : A 77 LYS NZ :NH3+ 141:sc= 0.823 (180deg=0.13) USER MOD Single : A 78 THR OG1 : rot 160:sc= -0.504 USER MOD Single : A 79 LYS NZ :NH3+ 151:sc= 0.651 (180deg=0.187) USER MOD Single : A 82 LYS NZ :NH3+ 164:sc= 1.06 (180deg=0.85) USER MOD Single : A 87 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0153) USER MOD Single : A 90 THR OG1 : rot -77:sc= 0.139 USER MOD Single : A 94 LYS NZ :NH3+ -149:sc= 1.1 (180deg=0.413) USER MOD Single : A 95 LYS NZ :NH3+ -164:sc= 0.859 (180deg=0.555) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc=-0.00351 X(o=-0.0035,f=-0.37) USER MOD Single : A 103 THR OG1 : rot -90:sc= -0.235 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0.00271 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 117 THR OG1 : rot 105:sc= 0.372 USER MOD Single : A 118 THR OG1 : rot -75:sc= 1.02 USER MOD Single : A 119 CYS SG : rot 14:sc= -0.326 USER MOD Single : A 125 GLN : amide:sc= -0.753 K(o=-0.75,f=-5.1!) USER MOD Single : A 127 TYR OH : rot 180:sc= -0.427 USER MOD Single : A 135 LYS NZ :NH3+ -173:sc= 0.807 (180deg=0.734) USER MOD Single : A 145 GLN :FLIP amide:sc= -0.128 F(o=-1.5!,f=-0.13) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 200 N ILE A 15 12.064 9.549 -15.631 1.00 0.00 N ATOM 201 CA ILE A 15 10.803 9.306 -14.900 1.00 0.00 C ATOM 202 C ILE A 15 10.825 7.903 -14.267 1.00 0.00 C ATOM 203 O ILE A 15 10.490 7.735 -13.096 1.00 0.00 O ATOM 204 CB ILE A 15 9.545 9.480 -15.845 1.00 0.00 C ATOM 205 CG1 ILE A 15 9.429 10.963 -16.339 1.00 0.00 C ATOM 206 CG2 ILE A 15 8.230 9.007 -15.167 1.00 0.00 C ATOM 207 CD1 ILE A 15 9.289 12.000 -15.232 1.00 0.00 C ATOM 0 HA ILE A 15 10.718 10.049 -14.107 1.00 0.00 H new ATOM 0 HB ILE A 15 9.697 8.838 -16.713 1.00 0.00 H new ATOM 0 HG12 ILE A 15 10.312 11.203 -16.932 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.568 11.043 -17.003 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.396 9.146 -15.854 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.314 7.952 -14.907 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.056 9.591 -14.263 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.216 12.994 -15.672 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.390 11.793 -14.651 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.161 11.956 -14.579 1.00 0.00 H new ATOM 219 N GLU A 16 11.282 6.921 -15.050 1.00 0.00 N ATOM 220 CA GLU A 16 11.406 5.524 -14.602 1.00 0.00 C ATOM 221 C GLU A 16 12.706 5.294 -13.804 1.00 0.00 C ATOM 222 O GLU A 16 12.798 4.320 -13.066 1.00 0.00 O ATOM 223 CB GLU A 16 11.340 4.573 -15.814 1.00 0.00 C ATOM 224 CG GLU A 16 10.032 4.662 -16.615 1.00 0.00 C ATOM 225 CD GLU A 16 10.020 3.721 -17.828 1.00 0.00 C ATOM 226 OE1 GLU A 16 10.729 4.002 -18.819 1.00 0.00 O ATOM 227 OE2 GLU A 16 9.306 2.693 -17.796 1.00 0.00 O ATOM 0 H GLU A 16 11.578 7.069 -16.015 1.00 0.00 H new ATOM 0 HA GLU A 16 10.572 5.311 -13.934 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.176 4.792 -16.479 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.470 3.549 -15.465 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.193 4.419 -15.963 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.886 5.688 -16.954 1.00 0.00 H new ATOM 234 N LYS A 17 13.704 6.187 -13.969 1.00 0.00 N ATOM 235 CA LYS A 17 14.971 6.145 -13.198 1.00 0.00 C ATOM 236 C LYS A 17 14.683 6.462 -11.724 1.00 0.00 C ATOM 237 O LYS A 17 14.974 5.657 -10.830 1.00 0.00 O ATOM 238 CB LYS A 17 15.963 7.197 -13.763 1.00 0.00 C ATOM 239 CG LYS A 17 17.388 7.185 -13.162 1.00 0.00 C ATOM 240 CD LYS A 17 18.178 8.498 -13.441 1.00 0.00 C ATOM 241 CE LYS A 17 18.165 8.940 -14.922 1.00 0.00 C ATOM 242 NZ LYS A 17 18.773 7.942 -15.840 1.00 0.00 N ATOM 0 H LYS A 17 13.658 6.956 -14.637 1.00 0.00 H new ATOM 0 HA LYS A 17 15.410 5.151 -13.282 1.00 0.00 H new ATOM 0 HB2 LYS A 17 16.044 7.047 -14.840 1.00 0.00 H new ATOM 0 HB3 LYS A 17 15.535 8.188 -13.610 1.00 0.00 H new ATOM 0 HG2 LYS A 17 17.321 7.030 -12.085 1.00 0.00 H new ATOM 0 HG3 LYS A 17 17.942 6.340 -13.572 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.759 9.298 -12.831 1.00 0.00 H new ATOM 0 HD3 LYS A 17 19.212 8.362 -13.123 1.00 0.00 H new ATOM 0 HE2 LYS A 17 17.136 9.126 -15.229 1.00 0.00 H new ATOM 0 HE3 LYS A 17 18.701 9.884 -15.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 18.733 8.299 -16.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 19.765 7.781 -15.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.248 7.047 -15.777 1.00 0.00 H new ATOM 256 N GLN A 18 14.067 7.645 -11.514 1.00 0.00 N ATOM 257 CA GLN A 18 13.719 8.171 -10.184 1.00 0.00 C ATOM 258 C GLN A 18 12.654 7.274 -9.522 1.00 0.00 C ATOM 259 O GLN A 18 12.682 7.066 -8.314 1.00 0.00 O ATOM 260 CB GLN A 18 13.225 9.651 -10.310 1.00 0.00 C ATOM 261 CG GLN A 18 11.829 9.827 -10.975 1.00 0.00 C ATOM 262 CD GLN A 18 11.574 11.181 -11.649 1.00 0.00 C ATOM 263 OE1 GLN A 18 12.591 11.757 -12.267 1.00 0.00 O flip ATOM 264 NE2 GLN A 18 10.447 11.680 -11.657 1.00 0.00 N flip ATOM 0 H GLN A 18 13.796 8.267 -12.276 1.00 0.00 H new ATOM 0 HA GLN A 18 14.603 8.164 -9.547 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.194 10.093 -9.314 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.958 10.215 -10.887 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.702 9.042 -11.721 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.064 9.672 -10.215 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.680 11.215 -11.172 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.282 12.558 -12.149 1.00 0.00 H new ATOM 273 N PHE A 19 11.744 6.728 -10.360 1.00 0.00 N ATOM 274 CA PHE A 19 10.688 5.788 -9.938 1.00 0.00 C ATOM 275 C PHE A 19 11.293 4.463 -9.444 1.00 0.00 C ATOM 276 O PHE A 19 10.940 3.993 -8.366 1.00 0.00 O ATOM 277 CB PHE A 19 9.684 5.552 -11.110 1.00 0.00 C ATOM 278 CG PHE A 19 8.790 4.312 -10.978 1.00 0.00 C ATOM 279 CD1 PHE A 19 7.823 4.230 -9.978 1.00 0.00 C ATOM 280 CD2 PHE A 19 8.933 3.220 -11.845 1.00 0.00 C ATOM 281 CE1 PHE A 19 7.033 3.099 -9.847 1.00 0.00 C ATOM 282 CE2 PHE A 19 8.138 2.096 -11.711 1.00 0.00 C ATOM 283 CZ PHE A 19 7.191 2.037 -10.712 1.00 0.00 C ATOM 0 H PHE A 19 11.724 6.932 -11.359 1.00 0.00 H new ATOM 0 HA PHE A 19 10.144 6.227 -9.102 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.045 6.431 -11.200 1.00 0.00 H new ATOM 0 HB3 PHE A 19 10.249 5.473 -12.039 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.688 5.057 -9.297 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.675 3.257 -12.629 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.291 3.049 -9.064 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.260 1.265 -12.390 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.572 1.158 -10.606 1.00 0.00 H new ATOM 293 N ALA A 20 12.215 3.888 -10.233 1.00 0.00 N ATOM 294 CA ALA A 20 12.791 2.558 -9.950 1.00 0.00 C ATOM 295 C ALA A 20 13.573 2.567 -8.629 1.00 0.00 C ATOM 296 O ALA A 20 13.409 1.663 -7.801 1.00 0.00 O ATOM 297 CB ALA A 20 13.691 2.106 -11.105 1.00 0.00 C ATOM 0 H ALA A 20 12.581 4.325 -11.079 1.00 0.00 H new ATOM 0 HA ALA A 20 11.970 1.848 -9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.107 1.124 -10.879 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.105 2.050 -12.022 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.502 2.822 -11.236 1.00 0.00 H new ATOM 303 N VAL A 21 14.398 3.618 -8.434 1.00 0.00 N ATOM 304 CA VAL A 21 15.236 3.748 -7.233 1.00 0.00 C ATOM 305 C VAL A 21 14.379 4.057 -5.987 1.00 0.00 C ATOM 306 O VAL A 21 14.587 3.449 -4.941 1.00 0.00 O ATOM 307 CB VAL A 21 16.396 4.809 -7.399 1.00 0.00 C ATOM 308 CG1 VAL A 21 15.862 6.218 -7.737 1.00 0.00 C ATOM 309 CG2 VAL A 21 17.306 4.840 -6.141 1.00 0.00 C ATOM 0 H VAL A 21 14.498 4.387 -9.096 1.00 0.00 H new ATOM 0 HA VAL A 21 15.719 2.781 -7.091 1.00 0.00 H new ATOM 0 HB VAL A 21 16.999 4.490 -8.249 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.699 6.909 -7.840 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.304 6.181 -8.673 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.206 6.560 -6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 21 18.096 5.578 -6.281 1.00 0.00 H new ATOM 0 HG22 VAL A 21 16.711 5.107 -5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 21 17.751 3.857 -5.990 1.00 0.00 H new ATOM 319 N VAL A 22 13.388 4.972 -6.118 1.00 0.00 N ATOM 320 CA VAL A 22 12.515 5.359 -4.979 1.00 0.00 C ATOM 321 C VAL A 22 11.592 4.195 -4.562 1.00 0.00 C ATOM 322 O VAL A 22 11.220 4.080 -3.397 1.00 0.00 O ATOM 323 CB VAL A 22 11.653 6.654 -5.264 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.467 6.376 -6.221 1.00 0.00 C ATOM 325 CG2 VAL A 22 11.172 7.311 -3.939 1.00 0.00 C ATOM 0 H VAL A 22 13.173 5.453 -6.992 1.00 0.00 H new ATOM 0 HA VAL A 22 13.190 5.597 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 22 12.305 7.363 -5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.907 7.297 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.847 6.009 -7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.811 5.626 -5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.582 8.199 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.560 6.601 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.036 7.594 -3.338 1.00 0.00 H new ATOM 335 N ALA A 23 11.245 3.333 -5.535 1.00 0.00 N ATOM 336 CA ALA A 23 10.372 2.181 -5.313 1.00 0.00 C ATOM 337 C ALA A 23 11.103 1.115 -4.483 1.00 0.00 C ATOM 338 O ALA A 23 10.637 0.724 -3.403 1.00 0.00 O ATOM 339 CB ALA A 23 9.909 1.623 -6.669 1.00 0.00 C ATOM 0 H ALA A 23 11.567 3.422 -6.499 1.00 0.00 H new ATOM 0 HA ALA A 23 9.491 2.488 -4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.258 0.764 -6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.363 2.394 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.777 1.315 -7.251 1.00 0.00 H new ATOM 345 N VAL A 24 12.282 0.691 -4.980 1.00 0.00 N ATOM 346 CA VAL A 24 13.092 -0.361 -4.334 1.00 0.00 C ATOM 347 C VAL A 24 13.646 0.118 -2.984 1.00 0.00 C ATOM 348 O VAL A 24 13.773 -0.692 -2.055 1.00 0.00 O ATOM 349 CB VAL A 24 14.266 -0.882 -5.258 1.00 0.00 C ATOM 350 CG1 VAL A 24 13.704 -1.456 -6.584 1.00 0.00 C ATOM 351 CG2 VAL A 24 15.343 0.213 -5.517 1.00 0.00 C ATOM 0 H VAL A 24 12.697 1.065 -5.834 1.00 0.00 H new ATOM 0 HA VAL A 24 12.421 -1.203 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 24 14.769 -1.689 -4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 24 14.527 -1.809 -7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.032 -2.286 -6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.157 -0.677 -7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 24 16.128 -0.192 -6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.881 1.069 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 24 15.775 0.530 -4.568 1.00 0.00 H new ATOM 361 N GLU A 25 13.941 1.442 -2.872 1.00 0.00 N ATOM 362 CA GLU A 25 14.472 2.019 -1.624 1.00 0.00 C ATOM 363 C GLU A 25 13.364 2.072 -0.577 1.00 0.00 C ATOM 364 O GLU A 25 13.616 1.800 0.570 1.00 0.00 O ATOM 365 CB GLU A 25 15.160 3.420 -1.824 1.00 0.00 C ATOM 366 CG GLU A 25 14.253 4.688 -1.874 1.00 0.00 C ATOM 367 CD GLU A 25 13.787 5.239 -0.503 1.00 0.00 C ATOM 368 OE1 GLU A 25 14.616 5.313 0.432 1.00 0.00 O ATOM 369 OE2 GLU A 25 12.601 5.618 -0.368 1.00 0.00 O ATOM 0 H GLU A 25 13.819 2.117 -3.627 1.00 0.00 H new ATOM 0 HA GLU A 25 15.269 1.364 -1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 25 15.878 3.556 -1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 25 15.729 3.381 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.793 5.477 -2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 25 13.370 4.457 -2.470 1.00 0.00 H new ATOM 376 N GLN A 26 12.129 2.420 -1.001 1.00 0.00 N ATOM 377 CA GLN A 26 10.969 2.509 -0.087 1.00 0.00 C ATOM 378 C GLN A 26 10.650 1.131 0.503 1.00 0.00 C ATOM 379 O GLN A 26 10.320 1.017 1.682 1.00 0.00 O ATOM 380 CB GLN A 26 9.722 3.080 -0.819 1.00 0.00 C ATOM 381 CG GLN A 26 8.453 3.228 0.054 1.00 0.00 C ATOM 382 CD GLN A 26 8.611 4.213 1.214 1.00 0.00 C ATOM 383 OE1 GLN A 26 8.350 5.407 1.069 1.00 0.00 O ATOM 384 NE2 GLN A 26 9.033 3.718 2.371 1.00 0.00 N ATOM 0 H GLN A 26 11.910 2.644 -1.972 1.00 0.00 H new ATOM 0 HA GLN A 26 11.229 3.190 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.977 4.057 -1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.488 2.432 -1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.626 3.554 -0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.183 2.251 0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.240 2.723 2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.150 4.333 3.176 1.00 0.00 H new ATOM 393 N ALA A 27 10.778 0.096 -0.336 1.00 0.00 N ATOM 394 CA ALA A 27 10.496 -1.297 0.040 1.00 0.00 C ATOM 395 C ALA A 27 11.560 -1.849 1.020 1.00 0.00 C ATOM 396 O ALA A 27 11.217 -2.500 2.021 1.00 0.00 O ATOM 397 CB ALA A 27 10.402 -2.155 -1.230 1.00 0.00 C ATOM 0 H ALA A 27 11.083 0.201 -1.304 1.00 0.00 H new ATOM 0 HA ALA A 27 9.542 -1.335 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.193 -3.189 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.600 -1.779 -1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.346 -2.107 -1.772 1.00 0.00 H new ATOM 403 N GLU A 28 12.850 -1.557 0.738 1.00 0.00 N ATOM 404 CA GLU A 28 13.987 -2.055 1.554 1.00 0.00 C ATOM 405 C GLU A 28 14.144 -1.219 2.847 1.00 0.00 C ATOM 406 O GLU A 28 14.610 -1.740 3.864 1.00 0.00 O ATOM 407 CB GLU A 28 15.314 -2.049 0.739 1.00 0.00 C ATOM 408 CG GLU A 28 15.921 -0.652 0.493 1.00 0.00 C ATOM 409 CD GLU A 28 17.155 -0.671 -0.421 1.00 0.00 C ATOM 410 OE1 GLU A 28 18.272 -0.971 0.069 1.00 0.00 O ATOM 411 OE2 GLU A 28 17.017 -0.381 -1.631 1.00 0.00 O ATOM 0 H GLU A 28 13.133 -0.977 -0.052 1.00 0.00 H new ATOM 0 HA GLU A 28 13.766 -3.086 1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.048 -2.660 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.133 -2.525 -0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.161 -0.008 0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.195 -0.210 1.451 1.00 0.00 H new ATOM 418 N THR A 29 13.774 0.084 2.778 1.00 0.00 N ATOM 419 CA THR A 29 13.789 0.997 3.943 1.00 0.00 C ATOM 420 C THR A 29 12.666 0.607 4.903 1.00 0.00 C ATOM 421 O THR A 29 12.871 0.569 6.105 1.00 0.00 O ATOM 422 CB THR A 29 13.649 2.510 3.544 1.00 0.00 C ATOM 423 OG1 THR A 29 14.759 2.901 2.724 1.00 0.00 O ATOM 424 CG2 THR A 29 13.579 3.455 4.761 1.00 0.00 C ATOM 0 H THR A 29 13.458 0.528 1.916 1.00 0.00 H new ATOM 0 HA THR A 29 14.761 0.891 4.424 1.00 0.00 H new ATOM 0 HB THR A 29 12.708 2.600 3.001 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.551 2.719 1.784 1.00 0.00 H new ATOM 0 HG21 THR A 29 13.483 4.485 4.417 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.716 3.195 5.374 1.00 0.00 H new ATOM 0 HG23 THR A 29 14.489 3.354 5.353 1.00 0.00 H new ATOM 432 N TYR A 30 11.488 0.290 4.332 1.00 0.00 N ATOM 433 CA TYR A 30 10.333 -0.238 5.077 1.00 0.00 C ATOM 434 C TYR A 30 10.749 -1.480 5.897 1.00 0.00 C ATOM 435 O TYR A 30 10.428 -1.591 7.088 1.00 0.00 O ATOM 436 CB TYR A 30 9.186 -0.594 4.085 1.00 0.00 C ATOM 437 CG TYR A 30 8.034 -1.379 4.720 1.00 0.00 C ATOM 438 CD1 TYR A 30 7.147 -0.764 5.604 1.00 0.00 C ATOM 439 CD2 TYR A 30 7.870 -2.751 4.474 1.00 0.00 C ATOM 440 CE1 TYR A 30 6.148 -1.483 6.219 1.00 0.00 C ATOM 441 CE2 TYR A 30 6.863 -3.466 5.080 1.00 0.00 C ATOM 442 CZ TYR A 30 6.009 -2.828 5.954 1.00 0.00 C ATOM 443 OH TYR A 30 5.017 -3.540 6.583 1.00 0.00 O ATOM 0 H TYR A 30 11.312 0.395 3.333 1.00 0.00 H new ATOM 0 HA TYR A 30 9.974 0.524 5.769 1.00 0.00 H new ATOM 0 HB2 TYR A 30 8.791 0.327 3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.599 -1.177 3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.246 0.292 5.809 1.00 0.00 H new ATOM 0 HD2 TYR A 30 8.546 -3.254 3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.475 -0.994 6.908 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.742 -4.519 4.873 1.00 0.00 H new ATOM 0 HH TYR A 30 4.861 -3.165 7.475 1.00 0.00 H new ATOM 453 N TRP A 31 11.490 -2.382 5.227 1.00 0.00 N ATOM 454 CA TRP A 31 12.005 -3.620 5.826 1.00 0.00 C ATOM 455 C TRP A 31 12.915 -3.302 7.031 1.00 0.00 C ATOM 456 O TRP A 31 12.641 -3.738 8.152 1.00 0.00 O ATOM 457 CB TRP A 31 12.771 -4.436 4.752 1.00 0.00 C ATOM 458 CG TRP A 31 13.277 -5.786 5.222 1.00 0.00 C ATOM 459 CD1 TRP A 31 14.472 -6.059 5.840 1.00 0.00 C ATOM 460 CD2 TRP A 31 12.597 -7.044 5.094 1.00 0.00 C ATOM 461 NE1 TRP A 31 14.568 -7.400 6.105 1.00 0.00 N ATOM 462 CE2 TRP A 31 13.433 -8.027 5.652 1.00 0.00 C ATOM 463 CE3 TRP A 31 11.361 -7.429 4.562 1.00 0.00 C ATOM 464 CZ2 TRP A 31 13.073 -9.372 5.691 1.00 0.00 C ATOM 465 CZ3 TRP A 31 11.006 -8.764 4.597 1.00 0.00 C ATOM 466 CH2 TRP A 31 11.860 -9.722 5.159 1.00 0.00 C ATOM 0 H TRP A 31 11.748 -2.268 4.247 1.00 0.00 H new ATOM 0 HA TRP A 31 11.169 -4.217 6.190 1.00 0.00 H new ATOM 0 HB2 TRP A 31 12.115 -4.588 3.895 1.00 0.00 H new ATOM 0 HB3 TRP A 31 13.619 -3.846 4.404 1.00 0.00 H new ATOM 0 HD1 TRP A 31 15.226 -5.325 6.082 1.00 0.00 H new ATOM 0 HE1 TRP A 31 15.355 -7.858 6.564 1.00 0.00 H new ATOM 0 HE3 TRP A 31 10.696 -6.695 4.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 13.727 -10.113 6.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.057 -9.073 4.185 1.00 0.00 H new ATOM 0 HH2 TRP A 31 11.556 -10.758 5.173 1.00 0.00 H new ATOM 477 N LYS A 32 13.978 -2.497 6.784 1.00 0.00 N ATOM 478 CA LYS A 32 15.014 -2.201 7.799 1.00 0.00 C ATOM 479 C LYS A 32 14.486 -1.288 8.934 1.00 0.00 C ATOM 480 O LYS A 32 15.052 -1.282 10.031 1.00 0.00 O ATOM 481 CB LYS A 32 16.340 -1.677 7.137 1.00 0.00 C ATOM 482 CG LYS A 32 16.248 -0.370 6.309 1.00 0.00 C ATOM 483 CD LYS A 32 16.160 0.908 7.162 1.00 0.00 C ATOM 484 CE LYS A 32 17.437 1.184 7.973 1.00 0.00 C ATOM 485 NZ LYS A 32 17.315 2.421 8.776 1.00 0.00 N ATOM 0 H LYS A 32 14.139 -2.041 5.886 1.00 0.00 H new ATOM 0 HA LYS A 32 15.271 -3.142 8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.075 -1.526 7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.727 -2.462 6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.121 -0.301 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.373 -0.423 5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.960 1.759 6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 32 15.315 0.824 7.845 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.640 0.340 8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 32 18.287 1.271 7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.194 2.576 9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 17.146 3.230 8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.519 2.327 9.439 1.00 0.00 H new ATOM 499 N LEU A 33 13.393 -0.533 8.658 1.00 0.00 N ATOM 500 CA LEU A 33 12.706 0.290 9.678 1.00 0.00 C ATOM 501 C LEU A 33 12.007 -0.628 10.677 1.00 0.00 C ATOM 502 O LEU A 33 12.112 -0.412 11.876 1.00 0.00 O ATOM 503 CB LEU A 33 11.674 1.282 9.047 1.00 0.00 C ATOM 504 CG LEU A 33 12.254 2.589 8.418 1.00 0.00 C ATOM 505 CD1 LEU A 33 11.126 3.469 7.820 1.00 0.00 C ATOM 506 CD2 LEU A 33 13.107 3.368 9.444 1.00 0.00 C ATOM 0 H LEU A 33 12.969 -0.479 7.732 1.00 0.00 H new ATOM 0 HA LEU A 33 13.460 0.894 10.183 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.118 0.750 8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.957 1.564 9.818 1.00 0.00 H new ATOM 0 HG LEU A 33 12.913 2.306 7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.559 4.372 7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.602 2.911 7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.423 3.743 8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.498 4.273 8.979 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.489 3.638 10.301 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.936 2.744 9.777 1.00 0.00 H new ATOM 518 N LEU A 34 11.313 -1.663 10.161 1.00 0.00 N ATOM 519 CA LEU A 34 10.620 -2.648 11.007 1.00 0.00 C ATOM 520 C LEU A 34 11.624 -3.475 11.826 1.00 0.00 C ATOM 521 O LEU A 34 11.476 -3.595 13.041 1.00 0.00 O ATOM 522 CB LEU A 34 9.703 -3.579 10.170 1.00 0.00 C ATOM 523 CG LEU A 34 8.424 -2.928 9.553 1.00 0.00 C ATOM 524 CD1 LEU A 34 7.544 -3.996 8.878 1.00 0.00 C ATOM 525 CD2 LEU A 34 7.630 -2.122 10.606 1.00 0.00 C ATOM 0 H LEU A 34 11.219 -1.836 9.160 1.00 0.00 H new ATOM 0 HA LEU A 34 9.987 -2.091 11.698 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.296 -4.002 9.359 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.391 -4.410 10.803 1.00 0.00 H new ATOM 0 HG LEU A 34 8.744 -2.221 8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.658 -3.523 8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.109 -4.485 8.084 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.241 -4.738 9.617 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.748 -1.684 10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.322 -2.785 11.415 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.260 -1.328 11.007 1.00 0.00 H new ATOM 537 N THR A 35 12.658 -4.015 11.152 1.00 0.00 N ATOM 538 CA THR A 35 13.675 -4.877 11.794 1.00 0.00 C ATOM 539 C THR A 35 14.411 -4.138 12.942 1.00 0.00 C ATOM 540 O THR A 35 14.856 -4.765 13.909 1.00 0.00 O ATOM 541 CB THR A 35 14.721 -5.403 10.754 1.00 0.00 C ATOM 542 OG1 THR A 35 15.410 -4.304 10.141 1.00 0.00 O ATOM 543 CG2 THR A 35 14.087 -6.274 9.654 1.00 0.00 C ATOM 0 H THR A 35 12.813 -3.869 10.155 1.00 0.00 H new ATOM 0 HA THR A 35 13.139 -5.728 12.215 1.00 0.00 H new ATOM 0 HB THR A 35 15.420 -6.028 11.311 1.00 0.00 H new ATOM 0 HG1 THR A 35 14.989 -3.462 10.412 1.00 0.00 H new ATOM 0 HG21 THR A 35 14.861 -6.609 8.964 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.606 -7.141 10.108 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.344 -5.690 9.111 1.00 0.00 H new ATOM 551 N SER A 36 14.508 -2.796 12.829 1.00 0.00 N ATOM 552 CA SER A 36 15.135 -1.945 13.854 1.00 0.00 C ATOM 553 C SER A 36 14.119 -1.619 14.973 1.00 0.00 C ATOM 554 O SER A 36 14.365 -1.910 16.150 1.00 0.00 O ATOM 555 CB SER A 36 15.686 -0.644 13.211 1.00 0.00 C ATOM 556 OG SER A 36 16.413 0.134 14.152 1.00 0.00 O ATOM 0 H SER A 36 14.154 -2.277 12.026 1.00 0.00 H new ATOM 0 HA SER A 36 15.971 -2.486 14.298 1.00 0.00 H new ATOM 0 HB2 SER A 36 16.332 -0.898 12.370 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.860 -0.056 12.812 1.00 0.00 H new ATOM 0 HG SER A 36 16.748 0.945 13.716 1.00 0.00 H new ATOM 562 N VAL A 37 12.970 -1.021 14.587 1.00 0.00 N ATOM 563 CA VAL A 37 11.898 -0.589 15.523 1.00 0.00 C ATOM 564 C VAL A 37 10.500 -1.050 14.998 1.00 0.00 C ATOM 565 O VAL A 37 10.264 -1.029 13.791 1.00 0.00 O ATOM 566 CB VAL A 37 11.905 0.983 15.751 1.00 0.00 C ATOM 567 CG1 VAL A 37 13.168 1.438 16.531 1.00 0.00 C ATOM 568 CG2 VAL A 37 11.766 1.760 14.411 1.00 0.00 C ATOM 0 H VAL A 37 12.755 -0.821 13.610 1.00 0.00 H new ATOM 0 HA VAL A 37 12.096 -1.062 16.485 1.00 0.00 H new ATOM 0 HB VAL A 37 11.033 1.222 16.360 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.140 2.519 16.669 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.191 0.948 17.504 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.061 1.167 15.968 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.775 2.832 14.609 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.598 1.505 13.755 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.827 1.488 13.928 1.00 0.00 H new ATOM 578 N PRO A 38 9.555 -1.504 15.902 1.00 0.00 N ATOM 579 CA PRO A 38 8.175 -1.948 15.505 1.00 0.00 C ATOM 580 C PRO A 38 7.371 -0.867 14.736 1.00 0.00 C ATOM 581 O PRO A 38 7.659 0.323 14.854 1.00 0.00 O ATOM 582 CB PRO A 38 7.504 -2.289 16.869 1.00 0.00 C ATOM 583 CG PRO A 38 8.652 -2.603 17.781 1.00 0.00 C ATOM 584 CD PRO A 38 9.765 -1.662 17.369 1.00 0.00 C ATOM 0 HA PRO A 38 8.208 -2.785 14.808 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.917 -1.451 17.244 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.826 -3.137 16.777 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.377 -2.452 18.825 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.960 -3.644 17.680 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.698 -0.707 17.890 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.747 -2.079 17.592 1.00 0.00 H new ATOM 592 N GLY A 39 6.334 -1.293 13.982 1.00 0.00 N ATOM 593 CA GLY A 39 5.509 -0.365 13.179 1.00 0.00 C ATOM 594 C GLY A 39 4.443 0.401 13.984 1.00 0.00 C ATOM 595 O GLY A 39 3.565 1.046 13.395 1.00 0.00 O ATOM 0 H GLY A 39 6.049 -2.270 13.913 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.165 0.356 12.692 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.014 -0.930 12.389 1.00 0.00 H new ATOM 599 N SER A 40 4.537 0.330 15.327 1.00 0.00 N ATOM 600 CA SER A 40 3.618 1.008 16.258 1.00 0.00 C ATOM 601 C SER A 40 3.819 2.545 16.240 1.00 0.00 C ATOM 602 O SER A 40 2.842 3.310 16.179 1.00 0.00 O ATOM 603 CB SER A 40 3.829 0.451 17.690 1.00 0.00 C ATOM 604 OG SER A 40 2.948 1.054 18.623 1.00 0.00 O ATOM 0 H SER A 40 5.264 -0.207 15.800 1.00 0.00 H new ATOM 0 HA SER A 40 2.596 0.810 15.936 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.673 -0.628 17.687 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.860 0.623 17.999 1.00 0.00 H new ATOM 0 HG SER A 40 3.108 0.678 19.514 1.00 0.00 H new ATOM 610 N LYS A 41 5.095 2.984 16.299 1.00 0.00 N ATOM 611 CA LYS A 41 5.453 4.426 16.284 1.00 0.00 C ATOM 612 C LYS A 41 5.680 4.924 14.840 1.00 0.00 C ATOM 613 O LYS A 41 5.820 6.136 14.604 1.00 0.00 O ATOM 614 CB LYS A 41 6.704 4.728 17.185 1.00 0.00 C ATOM 615 CG LYS A 41 8.103 4.468 16.563 1.00 0.00 C ATOM 616 CD LYS A 41 8.404 2.988 16.277 1.00 0.00 C ATOM 617 CE LYS A 41 8.487 2.120 17.545 1.00 0.00 C ATOM 618 NZ LYS A 41 9.601 2.534 18.450 1.00 0.00 N ATOM 0 H LYS A 41 5.900 2.360 16.358 1.00 0.00 H new ATOM 0 HA LYS A 41 4.610 4.973 16.706 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.658 5.774 17.488 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.620 4.129 18.092 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.184 5.029 15.632 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.865 4.858 17.237 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.629 2.588 15.623 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.347 2.916 15.735 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.542 2.181 18.086 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.624 1.077 17.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.745 1.806 19.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.474 2.647 17.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.360 3.437 18.906 1.00 0.00 H new ATOM 632 N LEU A 42 5.731 3.978 13.881 1.00 0.00 N ATOM 633 CA LEU A 42 5.944 4.284 12.460 1.00 0.00 C ATOM 634 C LEU A 42 4.593 4.604 11.794 1.00 0.00 C ATOM 635 O LEU A 42 3.767 3.710 11.577 1.00 0.00 O ATOM 636 CB LEU A 42 6.650 3.086 11.749 1.00 0.00 C ATOM 637 CG LEU A 42 8.061 2.684 12.306 1.00 0.00 C ATOM 638 CD1 LEU A 42 8.630 1.442 11.577 1.00 0.00 C ATOM 639 CD2 LEU A 42 9.046 3.879 12.254 1.00 0.00 C ATOM 0 H LEU A 42 5.625 2.982 14.074 1.00 0.00 H new ATOM 0 HA LEU A 42 6.592 5.156 12.370 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.996 2.216 11.812 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.756 3.329 10.692 1.00 0.00 H new ATOM 0 HG LEU A 42 7.934 2.409 13.353 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.608 1.194 11.990 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.954 0.598 11.714 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.730 1.658 10.513 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.015 3.569 12.646 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.162 4.211 11.222 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.656 4.699 12.857 1.00 0.00 H new ATOM 651 N ARG A 43 4.368 5.897 11.515 1.00 0.00 N ATOM 652 CA ARG A 43 3.202 6.384 10.756 1.00 0.00 C ATOM 653 C ARG A 43 3.622 6.603 9.295 1.00 0.00 C ATOM 654 O ARG A 43 4.766 7.003 9.025 1.00 0.00 O ATOM 655 CB ARG A 43 2.622 7.709 11.360 1.00 0.00 C ATOM 656 CG ARG A 43 1.881 7.572 12.724 1.00 0.00 C ATOM 657 CD ARG A 43 2.813 7.287 13.912 1.00 0.00 C ATOM 658 NE ARG A 43 2.084 7.196 15.192 1.00 0.00 N ATOM 659 CZ ARG A 43 2.652 7.234 16.409 1.00 0.00 C ATOM 660 NH1 ARG A 43 3.963 7.372 16.550 1.00 0.00 N ATOM 661 NH2 ARG A 43 1.896 7.132 17.486 1.00 0.00 N ATOM 0 H ARG A 43 4.996 6.643 11.813 1.00 0.00 H new ATOM 0 HA ARG A 43 2.412 5.636 10.814 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.441 8.417 11.484 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.932 8.143 10.636 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.329 8.491 12.920 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.148 6.769 12.649 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.348 6.354 13.735 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.562 8.076 13.979 1.00 0.00 H new ATOM 0 HE ARG A 43 1.070 7.096 15.149 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.559 7.451 15.726 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.376 7.399 17.482 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.886 7.025 17.392 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.322 7.160 18.412 1.00 0.00 H new ATOM 675 N LEU A 44 2.705 6.320 8.359 1.00 0.00 N ATOM 676 CA LEU A 44 2.956 6.484 6.919 1.00 0.00 C ATOM 677 C LEU A 44 2.697 7.946 6.523 1.00 0.00 C ATOM 678 O LEU A 44 3.476 8.543 5.767 1.00 0.00 O ATOM 679 CB LEU A 44 2.086 5.497 6.076 1.00 0.00 C ATOM 680 CG LEU A 44 2.454 3.971 6.209 1.00 0.00 C ATOM 681 CD1 LEU A 44 2.038 3.372 7.576 1.00 0.00 C ATOM 682 CD2 LEU A 44 1.886 3.142 5.031 1.00 0.00 C ATOM 0 H LEU A 44 1.771 5.972 8.577 1.00 0.00 H new ATOM 0 HA LEU A 44 3.998 6.242 6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.043 5.626 6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.164 5.780 5.026 1.00 0.00 H new ATOM 0 HG LEU A 44 3.541 3.913 6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.316 2.319 7.611 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.545 3.908 8.378 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.959 3.467 7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.160 2.095 5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.800 3.233 5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.297 3.514 4.093 1.00 0.00 H new ATOM 694 N THR A 45 1.599 8.511 7.064 1.00 0.00 N ATOM 695 CA THR A 45 1.210 9.929 6.882 1.00 0.00 C ATOM 696 C THR A 45 0.499 10.424 8.169 1.00 0.00 C ATOM 697 O THR A 45 0.558 9.767 9.214 1.00 0.00 O ATOM 698 CB THR A 45 0.253 10.133 5.635 1.00 0.00 C ATOM 699 OG1 THR A 45 -0.905 9.308 5.763 1.00 0.00 O ATOM 700 CG2 THR A 45 0.922 9.834 4.285 1.00 0.00 C ATOM 0 H THR A 45 0.946 7.989 7.649 1.00 0.00 H new ATOM 0 HA THR A 45 2.116 10.506 6.694 1.00 0.00 H new ATOM 0 HB THR A 45 -0.014 11.190 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.490 9.443 4.989 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.205 9.996 3.480 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.777 10.496 4.148 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.259 8.798 4.268 1.00 0.00 H new ATOM 708 N LYS A 46 -0.134 11.602 8.085 1.00 0.00 N ATOM 709 CA LYS A 46 -1.071 12.105 9.108 1.00 0.00 C ATOM 710 C LYS A 46 -2.465 11.477 8.895 1.00 0.00 C ATOM 711 O LYS A 46 -3.236 11.276 9.839 1.00 0.00 O ATOM 712 CB LYS A 46 -1.159 13.655 9.012 1.00 0.00 C ATOM 713 CG LYS A 46 -2.148 14.310 10.002 1.00 0.00 C ATOM 714 CD LYS A 46 -2.262 15.837 9.815 1.00 0.00 C ATOM 715 CE LYS A 46 -3.251 16.476 10.798 1.00 0.00 C ATOM 716 NZ LYS A 46 -3.416 17.930 10.554 1.00 0.00 N ATOM 0 H LYS A 46 -0.011 12.241 7.299 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.711 11.829 10.099 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.167 14.072 9.182 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.449 13.926 7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.132 13.859 9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.828 14.097 11.022 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.280 16.290 9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.578 16.052 8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.219 15.982 10.711 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.902 16.317 11.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.092 18.323 11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.498 18.406 10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.774 18.082 9.589 1.00 0.00 H new ATOM 730 N PHE A 47 -2.758 11.162 7.628 1.00 0.00 N ATOM 731 CA PHE A 47 -4.088 10.717 7.168 1.00 0.00 C ATOM 732 C PHE A 47 -4.106 9.194 6.960 1.00 0.00 C ATOM 733 O PHE A 47 -5.046 8.649 6.402 1.00 0.00 O ATOM 734 CB PHE A 47 -4.433 11.453 5.840 1.00 0.00 C ATOM 735 CG PHE A 47 -4.151 12.949 5.904 1.00 0.00 C ATOM 736 CD1 PHE A 47 -5.041 13.818 6.524 1.00 0.00 C ATOM 737 CD2 PHE A 47 -2.967 13.474 5.385 1.00 0.00 C ATOM 738 CE1 PHE A 47 -4.759 15.164 6.623 1.00 0.00 C ATOM 739 CE2 PHE A 47 -2.689 14.821 5.477 1.00 0.00 C ATOM 740 CZ PHE A 47 -3.583 15.666 6.100 1.00 0.00 C ATOM 0 H PHE A 47 -2.069 11.208 6.877 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.835 10.959 7.924 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.856 11.014 5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.486 11.296 5.606 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.964 13.435 6.933 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.258 12.816 4.904 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.459 15.827 7.110 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.773 15.214 5.062 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.364 16.721 6.179 1.00 0.00 H new ATOM 750 N ASP A 48 -3.063 8.520 7.442 1.00 0.00 N ATOM 751 CA ASP A 48 -2.867 7.075 7.255 1.00 0.00 C ATOM 752 C ASP A 48 -3.996 6.244 7.913 1.00 0.00 C ATOM 753 O ASP A 48 -4.475 5.251 7.337 1.00 0.00 O ATOM 754 CB ASP A 48 -1.451 6.665 7.770 1.00 0.00 C ATOM 755 CG ASP A 48 -1.117 7.009 9.233 1.00 0.00 C ATOM 756 OD1 ASP A 48 -1.829 7.817 9.879 1.00 0.00 O ATOM 757 OD2 ASP A 48 -0.105 6.483 9.733 1.00 0.00 O ATOM 0 H ASP A 48 -2.319 8.963 7.981 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.921 6.853 6.189 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.341 5.588 7.641 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.707 7.140 7.131 1.00 0.00 H new ATOM 762 N ASP A 49 -4.457 6.708 9.084 1.00 0.00 N ATOM 763 CA ASP A 49 -5.557 6.062 9.825 1.00 0.00 C ATOM 764 C ASP A 49 -6.877 6.137 9.024 1.00 0.00 C ATOM 765 O ASP A 49 -7.566 5.125 8.881 1.00 0.00 O ATOM 766 CB ASP A 49 -5.732 6.693 11.235 1.00 0.00 C ATOM 767 CG ASP A 49 -6.822 6.002 12.091 1.00 0.00 C ATOM 768 OD1 ASP A 49 -6.671 4.805 12.390 1.00 0.00 O ATOM 769 OD2 ASP A 49 -7.825 6.652 12.465 1.00 0.00 O ATOM 0 H ASP A 49 -4.082 7.537 9.544 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.297 5.012 9.959 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.781 6.646 11.766 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.983 7.748 11.124 1.00 0.00 H new ATOM 774 N GLU A 50 -7.191 7.328 8.464 1.00 0.00 N ATOM 775 CA GLU A 50 -8.451 7.543 7.712 1.00 0.00 C ATOM 776 C GLU A 50 -8.435 6.794 6.368 1.00 0.00 C ATOM 777 O GLU A 50 -9.490 6.404 5.876 1.00 0.00 O ATOM 778 CB GLU A 50 -8.766 9.054 7.482 1.00 0.00 C ATOM 779 CG GLU A 50 -7.833 9.775 6.499 1.00 0.00 C ATOM 780 CD GLU A 50 -8.237 11.223 6.196 1.00 0.00 C ATOM 781 OE1 GLU A 50 -7.912 12.124 6.993 1.00 0.00 O ATOM 782 OE2 GLU A 50 -8.878 11.468 5.156 1.00 0.00 O ATOM 0 H GLU A 50 -6.593 8.152 8.518 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.248 7.136 8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.790 9.144 7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.723 9.568 8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.821 9.769 6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.805 9.214 5.565 1.00 0.00 H new ATOM 789 N ILE A 51 -7.236 6.603 5.769 1.00 0.00 N ATOM 790 CA ILE A 51 -7.091 5.814 4.522 1.00 0.00 C ATOM 791 C ILE A 51 -7.549 4.366 4.761 1.00 0.00 C ATOM 792 O ILE A 51 -8.304 3.809 3.960 1.00 0.00 O ATOM 793 CB ILE A 51 -5.629 5.875 3.946 1.00 0.00 C ATOM 794 CG1 ILE A 51 -5.268 7.354 3.583 1.00 0.00 C ATOM 795 CG2 ILE A 51 -5.460 4.944 2.713 1.00 0.00 C ATOM 796 CD1 ILE A 51 -3.800 7.609 3.291 1.00 0.00 C ATOM 0 H ILE A 51 -6.359 6.982 6.127 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.734 6.261 3.763 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.942 5.517 4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.852 7.650 2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.575 7.999 4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.437 5.013 2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.673 3.915 3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.152 5.250 1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.654 8.662 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.205 7.351 4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.486 6.997 2.446 1.00 0.00 H new ATOM 808 N TYR A 52 -7.123 3.800 5.906 1.00 0.00 N ATOM 809 CA TYR A 52 -7.601 2.485 6.382 1.00 0.00 C ATOM 810 C TYR A 52 -9.141 2.487 6.584 1.00 0.00 C ATOM 811 O TYR A 52 -9.830 1.562 6.140 1.00 0.00 O ATOM 812 CB TYR A 52 -6.883 2.105 7.710 1.00 0.00 C ATOM 813 CG TYR A 52 -7.512 0.919 8.468 1.00 0.00 C ATOM 814 CD1 TYR A 52 -7.432 -0.382 7.973 1.00 0.00 C ATOM 815 CD2 TYR A 52 -8.190 1.110 9.675 1.00 0.00 C ATOM 816 CE1 TYR A 52 -8.000 -1.445 8.651 1.00 0.00 C ATOM 817 CE2 TYR A 52 -8.757 0.053 10.353 1.00 0.00 C ATOM 818 CZ TYR A 52 -8.661 -1.223 9.841 1.00 0.00 C ATOM 819 OH TYR A 52 -9.217 -2.286 10.523 1.00 0.00 O ATOM 0 H TYR A 52 -6.441 4.238 6.526 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.363 1.741 5.622 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.843 1.866 7.489 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.878 2.976 8.366 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.916 -0.563 7.042 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -8.271 2.106 10.085 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.926 -2.445 8.250 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.276 0.224 11.285 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.645 -1.961 11.342 1.00 0.00 H new ATOM 829 N GLU A 53 -9.652 3.541 7.262 1.00 0.00 N ATOM 830 CA GLU A 53 -11.078 3.638 7.658 1.00 0.00 C ATOM 831 C GLU A 53 -12.001 3.695 6.423 1.00 0.00 C ATOM 832 O GLU A 53 -12.809 2.801 6.217 1.00 0.00 O ATOM 833 CB GLU A 53 -11.323 4.864 8.590 1.00 0.00 C ATOM 834 CG GLU A 53 -10.572 4.809 9.932 1.00 0.00 C ATOM 835 CD GLU A 53 -10.880 6.005 10.854 1.00 0.00 C ATOM 836 OE1 GLU A 53 -10.510 7.149 10.507 1.00 0.00 O ATOM 837 OE2 GLU A 53 -11.520 5.817 11.915 1.00 0.00 O ATOM 0 H GLU A 53 -9.092 4.344 7.549 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.324 2.735 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.029 5.770 8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.392 4.944 8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.832 3.885 10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.500 4.775 9.739 1.00 0.00 H new ATOM 844 N ASN A 54 -11.837 4.719 5.576 1.00 0.00 N ATOM 845 CA ASN A 54 -12.689 4.904 4.380 1.00 0.00 C ATOM 846 C ASN A 54 -12.520 3.747 3.367 1.00 0.00 C ATOM 847 O ASN A 54 -13.422 3.502 2.568 1.00 0.00 O ATOM 848 CB ASN A 54 -12.430 6.267 3.689 1.00 0.00 C ATOM 849 CG ASN A 54 -12.742 7.473 4.582 1.00 0.00 C ATOM 850 OD1 ASN A 54 -13.882 7.929 4.657 1.00 0.00 O ATOM 851 ND2 ASN A 54 -11.733 8.022 5.235 1.00 0.00 N ATOM 0 H ASN A 54 -11.122 5.437 5.692 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.720 4.896 4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.386 6.315 3.378 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.035 6.328 2.785 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -11.890 8.844 5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -10.797 7.624 5.156 1.00 0.00 H new ATOM 858 N PHE A 55 -11.375 3.027 3.405 1.00 0.00 N ATOM 859 CA PHE A 55 -11.184 1.836 2.555 1.00 0.00 C ATOM 860 C PHE A 55 -12.016 0.651 3.094 1.00 0.00 C ATOM 861 O PHE A 55 -12.648 -0.055 2.315 1.00 0.00 O ATOM 862 CB PHE A 55 -9.679 1.455 2.437 1.00 0.00 C ATOM 863 CG PHE A 55 -9.319 0.493 1.286 1.00 0.00 C ATOM 864 CD1 PHE A 55 -10.095 0.412 0.124 1.00 0.00 C ATOM 865 CD2 PHE A 55 -8.182 -0.300 1.352 1.00 0.00 C ATOM 866 CE1 PHE A 55 -9.744 -0.431 -0.915 1.00 0.00 C ATOM 867 CE2 PHE A 55 -7.836 -1.149 0.313 1.00 0.00 C ATOM 868 CZ PHE A 55 -8.615 -1.213 -0.818 1.00 0.00 C ATOM 0 H PHE A 55 -10.582 3.248 4.007 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.537 2.078 1.552 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.100 2.371 2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.364 1.002 3.377 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.984 1.019 0.037 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.555 -0.255 2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.356 -0.476 -1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.951 -1.763 0.392 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.342 -1.874 -1.627 1.00 0.00 H new ATOM 878 N MET A 56 -12.034 0.453 4.435 1.00 0.00 N ATOM 879 CA MET A 56 -12.759 -0.690 5.058 1.00 0.00 C ATOM 880 C MET A 56 -14.284 -0.467 5.050 1.00 0.00 C ATOM 881 O MET A 56 -15.052 -1.431 5.103 1.00 0.00 O ATOM 882 CB MET A 56 -12.235 -0.980 6.501 1.00 0.00 C ATOM 883 CG MET A 56 -12.615 0.049 7.568 1.00 0.00 C ATOM 884 SD MET A 56 -11.923 -0.312 9.196 1.00 0.00 S ATOM 885 CE MET A 56 -12.610 1.029 10.177 1.00 0.00 C ATOM 0 H MET A 56 -11.561 1.061 5.103 1.00 0.00 H new ATOM 0 HA MET A 56 -12.556 -1.572 4.450 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.609 -1.955 6.814 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.148 -1.053 6.464 1.00 0.00 H new ATOM 0 HG2 MET A 56 -12.276 1.034 7.248 1.00 0.00 H new ATOM 0 HG3 MET A 56 -13.701 0.096 7.646 1.00 0.00 H new ATOM 0 HE1 MET A 56 -11.826 1.466 10.796 1.00 0.00 H new ATOM 0 HE2 MET A 56 -13.017 1.793 9.515 1.00 0.00 H new ATOM 0 HE3 MET A 56 -13.404 0.643 10.816 1.00 0.00 H new ATOM 895 N GLU A 57 -14.710 0.808 4.995 1.00 0.00 N ATOM 896 CA GLU A 57 -16.130 1.180 4.960 1.00 0.00 C ATOM 897 C GLU A 57 -16.679 1.172 3.516 1.00 0.00 C ATOM 898 O GLU A 57 -17.667 0.493 3.228 1.00 0.00 O ATOM 899 CB GLU A 57 -16.302 2.574 5.602 1.00 0.00 C ATOM 900 CG GLU A 57 -15.777 2.684 7.046 1.00 0.00 C ATOM 901 CD GLU A 57 -16.517 1.793 8.061 1.00 0.00 C ATOM 902 OE1 GLU A 57 -17.617 2.178 8.509 1.00 0.00 O ATOM 903 OE2 GLU A 57 -16.008 0.704 8.419 1.00 0.00 O ATOM 0 H GLU A 57 -14.077 1.607 4.974 1.00 0.00 H new ATOM 0 HA GLU A 57 -16.702 0.444 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.786 3.310 4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.360 2.836 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.719 2.423 7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.853 3.722 7.369 1.00 0.00 H new ATOM 910 N ARG A 58 -16.015 1.927 2.611 1.00 0.00 N ATOM 911 CA ARG A 58 -16.508 2.149 1.219 1.00 0.00 C ATOM 912 C ARG A 58 -16.134 0.985 0.279 1.00 0.00 C ATOM 913 O ARG A 58 -16.760 0.807 -0.775 1.00 0.00 O ATOM 914 CB ARG A 58 -15.988 3.506 0.632 1.00 0.00 C ATOM 915 CG ARG A 58 -16.620 4.794 1.240 1.00 0.00 C ATOM 916 CD ARG A 58 -16.259 5.033 2.720 1.00 0.00 C ATOM 917 NE ARG A 58 -16.951 6.195 3.295 1.00 0.00 N ATOM 918 CZ ARG A 58 -16.828 6.631 4.559 1.00 0.00 C ATOM 919 NH1 ARG A 58 -16.048 6.006 5.439 1.00 0.00 N ATOM 920 NH2 ARG A 58 -17.509 7.696 4.937 1.00 0.00 N ATOM 0 H ARG A 58 -15.133 2.397 2.814 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.595 2.194 1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.908 3.552 0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -16.168 3.508 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.298 5.655 0.655 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -17.704 4.733 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.510 4.144 3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.182 5.177 2.808 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.578 6.715 2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.526 5.175 5.159 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.972 6.358 6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -18.117 8.175 4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.427 8.041 5.894 1.00 0.00 H new ATOM 934 N PHE A 59 -15.102 0.204 0.651 1.00 0.00 N ATOM 935 CA PHE A 59 -14.695 -1.012 -0.095 1.00 0.00 C ATOM 936 C PHE A 59 -14.537 -2.190 0.896 1.00 0.00 C ATOM 937 O PHE A 59 -13.426 -2.693 1.108 1.00 0.00 O ATOM 938 CB PHE A 59 -13.378 -0.759 -0.886 1.00 0.00 C ATOM 939 CG PHE A 59 -13.453 0.394 -1.886 1.00 0.00 C ATOM 940 CD1 PHE A 59 -13.913 0.185 -3.185 1.00 0.00 C ATOM 941 CD2 PHE A 59 -13.067 1.690 -1.523 1.00 0.00 C ATOM 942 CE1 PHE A 59 -13.987 1.239 -4.087 1.00 0.00 C ATOM 943 CE2 PHE A 59 -13.142 2.731 -2.426 1.00 0.00 C ATOM 944 CZ PHE A 59 -13.602 2.505 -3.703 1.00 0.00 C ATOM 0 H PHE A 59 -14.527 0.393 1.472 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.466 -1.265 -0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.576 -0.557 -0.176 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.109 -1.670 -1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -14.215 -0.805 -3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -12.706 1.878 -0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -14.347 1.066 -5.090 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -12.839 3.724 -2.130 1.00 0.00 H new ATOM 0 HZ PHE A 59 -13.661 3.322 -4.406 1.00 0.00 H new ATOM 954 N PRO A 60 -15.663 -2.669 1.515 1.00 0.00 N ATOM 955 CA PRO A 60 -15.615 -3.647 2.624 1.00 0.00 C ATOM 956 C PRO A 60 -15.458 -5.108 2.150 1.00 0.00 C ATOM 957 O PRO A 60 -15.625 -6.040 2.942 1.00 0.00 O ATOM 958 CB PRO A 60 -16.972 -3.407 3.317 1.00 0.00 C ATOM 959 CG PRO A 60 -17.903 -3.101 2.186 1.00 0.00 C ATOM 960 CD PRO A 60 -17.079 -2.321 1.176 1.00 0.00 C ATOM 0 HA PRO A 60 -14.750 -3.509 3.272 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -17.296 -4.285 3.875 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -16.918 -2.580 4.026 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -18.298 -4.016 1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -18.757 -2.517 2.529 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -17.326 -2.607 0.154 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -17.257 -1.249 1.259 1.00 0.00 H new ATOM 968 N GLU A 61 -15.137 -5.311 0.860 1.00 0.00 N ATOM 969 CA GLU A 61 -14.839 -6.659 0.334 1.00 0.00 C ATOM 970 C GLU A 61 -13.370 -7.039 0.602 1.00 0.00 C ATOM 971 O GLU A 61 -13.012 -8.224 0.571 1.00 0.00 O ATOM 972 CB GLU A 61 -15.179 -6.758 -1.172 1.00 0.00 C ATOM 973 CG GLU A 61 -14.462 -5.745 -2.088 1.00 0.00 C ATOM 974 CD GLU A 61 -14.743 -6.009 -3.579 1.00 0.00 C ATOM 975 OE1 GLU A 61 -15.878 -5.740 -4.039 1.00 0.00 O ATOM 976 OE2 GLU A 61 -13.842 -6.509 -4.293 1.00 0.00 O ATOM 0 H GLU A 61 -15.077 -4.566 0.166 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.471 -7.374 0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.937 -7.764 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -16.255 -6.630 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.784 -4.735 -1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.388 -5.792 -1.908 1.00 0.00 H new ATOM 983 N TYR A 62 -12.524 -6.021 0.871 1.00 0.00 N ATOM 984 CA TYR A 62 -11.098 -6.223 1.201 1.00 0.00 C ATOM 985 C TYR A 62 -10.920 -6.424 2.730 1.00 0.00 C ATOM 986 O TYR A 62 -9.856 -6.862 3.173 1.00 0.00 O ATOM 987 CB TYR A 62 -10.223 -5.008 0.681 1.00 0.00 C ATOM 988 CG TYR A 62 -9.694 -4.060 1.787 1.00 0.00 C ATOM 989 CD1 TYR A 62 -10.540 -3.158 2.436 1.00 0.00 C ATOM 990 CD2 TYR A 62 -8.362 -4.121 2.220 1.00 0.00 C ATOM 991 CE1 TYR A 62 -10.081 -2.355 3.457 1.00 0.00 C ATOM 992 CE2 TYR A 62 -7.907 -3.317 3.248 1.00 0.00 C ATOM 993 CZ TYR A 62 -8.774 -2.438 3.865 1.00 0.00 C ATOM 994 OH TYR A 62 -8.336 -1.628 4.897 1.00 0.00 O ATOM 0 H TYR A 62 -12.809 -5.042 0.865 1.00 0.00 H new ATOM 0 HA TYR A 62 -10.750 -7.124 0.696 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.373 -5.404 0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.819 -4.425 -0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.574 -3.089 2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.680 -4.808 1.742 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.752 -1.658 3.937 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.877 -3.376 3.567 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.377 -2.123 5.742 1.00 0.00 H new ATOM 1004 N LYS A 63 -11.965 -6.081 3.526 1.00 0.00 N ATOM 1005 CA LYS A 63 -11.846 -5.914 5.001 1.00 0.00 C ATOM 1006 C LYS A 63 -11.397 -7.211 5.716 1.00 0.00 C ATOM 1007 O LYS A 63 -10.909 -7.160 6.851 1.00 0.00 O ATOM 1008 CB LYS A 63 -13.183 -5.391 5.594 1.00 0.00 C ATOM 1009 CG LYS A 63 -14.299 -6.455 5.757 1.00 0.00 C ATOM 1010 CD LYS A 63 -15.660 -5.848 6.180 1.00 0.00 C ATOM 1011 CE LYS A 63 -15.564 -4.972 7.440 1.00 0.00 C ATOM 1012 NZ LYS A 63 -16.878 -4.426 7.841 1.00 0.00 N ATOM 0 H LYS A 63 -12.906 -5.913 3.170 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.063 -5.176 5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.980 -4.949 6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.557 -4.592 4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.423 -6.990 4.815 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.988 -7.188 6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.056 -5.251 5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.371 -6.655 6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.152 -5.561 8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.871 -4.150 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.766 -3.842 8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.261 -3.842 7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.533 -5.209 8.041 1.00 0.00 H new ATOM 1026 N ASP A 64 -11.567 -8.355 5.028 1.00 0.00 N ATOM 1027 CA ASP A 64 -11.090 -9.668 5.485 1.00 0.00 C ATOM 1028 C ASP A 64 -9.574 -9.653 5.724 1.00 0.00 C ATOM 1029 O ASP A 64 -8.836 -9.030 4.966 1.00 0.00 O ATOM 1030 CB ASP A 64 -11.451 -10.750 4.435 1.00 0.00 C ATOM 1031 CG ASP A 64 -12.965 -10.924 4.253 1.00 0.00 C ATOM 1032 OD1 ASP A 64 -13.598 -11.618 5.079 1.00 0.00 O ATOM 1033 OD2 ASP A 64 -13.539 -10.356 3.295 1.00 0.00 O ATOM 0 H ASP A 64 -12.046 -8.391 4.128 1.00 0.00 H new ATOM 0 HA ASP A 64 -11.579 -9.901 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.003 -10.484 3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.015 -11.702 4.737 1.00 0.00 H new ATOM 1038 N VAL A 65 -9.122 -10.364 6.768 1.00 0.00 N ATOM 1039 CA VAL A 65 -7.697 -10.414 7.142 1.00 0.00 C ATOM 1040 C VAL A 65 -6.874 -11.087 6.017 1.00 0.00 C ATOM 1041 O VAL A 65 -5.712 -10.739 5.788 1.00 0.00 O ATOM 1042 CB VAL A 65 -7.482 -11.158 8.512 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -6.007 -11.064 8.995 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -8.462 -10.622 9.589 1.00 0.00 C ATOM 0 H VAL A 65 -9.728 -10.917 7.374 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.347 -9.390 7.271 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.699 -12.214 8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.901 -11.590 9.944 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.351 -11.519 8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.734 -10.017 9.128 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.296 -11.150 10.528 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.291 -9.556 9.738 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.488 -10.783 9.259 1.00 0.00 H new ATOM 1054 N GLU A 66 -7.526 -12.017 5.292 1.00 0.00 N ATOM 1055 CA GLU A 66 -6.941 -12.696 4.122 1.00 0.00 C ATOM 1056 C GLU A 66 -6.910 -11.785 2.879 1.00 0.00 C ATOM 1057 O GLU A 66 -6.191 -12.075 1.930 1.00 0.00 O ATOM 1058 CB GLU A 66 -7.715 -14.003 3.812 1.00 0.00 C ATOM 1059 CG GLU A 66 -7.621 -15.067 4.920 1.00 0.00 C ATOM 1060 CD GLU A 66 -8.389 -16.357 4.586 1.00 0.00 C ATOM 1061 OE1 GLU A 66 -7.795 -17.271 3.969 1.00 0.00 O ATOM 1062 OE2 GLU A 66 -9.590 -16.452 4.911 1.00 0.00 O ATOM 0 H GLU A 66 -8.477 -12.319 5.503 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.909 -12.942 4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.764 -13.760 3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.334 -14.427 2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.573 -15.310 5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.010 -14.650 5.849 1.00 0.00 H new ATOM 1069 N ARG A 67 -7.710 -10.712 2.863 1.00 0.00 N ATOM 1070 CA ARG A 67 -7.730 -9.749 1.737 1.00 0.00 C ATOM 1071 C ARG A 67 -6.863 -8.500 2.020 1.00 0.00 C ATOM 1072 O ARG A 67 -6.438 -7.824 1.078 1.00 0.00 O ATOM 1073 CB ARG A 67 -9.187 -9.350 1.413 1.00 0.00 C ATOM 1074 CG ARG A 67 -10.109 -10.517 0.994 1.00 0.00 C ATOM 1075 CD ARG A 67 -9.638 -11.222 -0.283 1.00 0.00 C ATOM 1076 NE ARG A 67 -10.478 -12.393 -0.612 1.00 0.00 N ATOM 1077 CZ ARG A 67 -10.023 -13.640 -0.825 1.00 0.00 C ATOM 1078 NH1 ARG A 67 -8.722 -13.921 -0.708 1.00 0.00 N ATOM 1079 NH2 ARG A 67 -10.881 -14.603 -1.142 1.00 0.00 N ATOM 0 H ARG A 67 -8.357 -10.482 3.617 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.293 -10.242 0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.617 -8.864 2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.175 -8.611 0.612 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.160 -11.243 1.806 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.120 -10.138 0.842 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.657 -10.517 -1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.603 -11.541 -0.160 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.484 -12.243 -0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.062 -13.186 -0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.389 -14.871 -0.872 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.876 -14.393 -1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.545 -15.552 -1.305 1.00 0.00 H new ATOM 1093 N VAL A 68 -6.615 -8.187 3.314 1.00 0.00 N ATOM 1094 CA VAL A 68 -5.748 -7.047 3.700 1.00 0.00 C ATOM 1095 C VAL A 68 -4.261 -7.434 3.542 1.00 0.00 C ATOM 1096 O VAL A 68 -3.412 -6.574 3.292 1.00 0.00 O ATOM 1097 CB VAL A 68 -6.009 -6.529 5.180 1.00 0.00 C ATOM 1098 CG1 VAL A 68 -7.496 -6.158 5.410 1.00 0.00 C ATOM 1099 CG2 VAL A 68 -5.509 -7.528 6.252 1.00 0.00 C ATOM 0 H VAL A 68 -7.000 -8.704 4.104 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.001 -6.227 3.028 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.421 -5.618 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.630 -5.809 6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.785 -5.368 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.120 -7.035 5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.711 -7.127 7.245 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.027 -8.479 6.133 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.436 -7.682 6.134 1.00 0.00 H new ATOM 1109 N LYS A 69 -3.972 -8.750 3.703 1.00 0.00 N ATOM 1110 CA LYS A 69 -2.598 -9.281 3.703 1.00 0.00 C ATOM 1111 C LYS A 69 -2.001 -9.323 2.286 1.00 0.00 C ATOM 1112 O LYS A 69 -0.796 -9.109 2.122 1.00 0.00 O ATOM 1113 CB LYS A 69 -2.535 -10.697 4.336 1.00 0.00 C ATOM 1114 CG LYS A 69 -3.359 -11.777 3.609 1.00 0.00 C ATOM 1115 CD LYS A 69 -2.989 -13.220 4.017 1.00 0.00 C ATOM 1116 CE LYS A 69 -1.554 -13.593 3.609 1.00 0.00 C ATOM 1117 NZ LYS A 69 -1.234 -15.009 3.891 1.00 0.00 N ATOM 0 H LYS A 69 -4.687 -9.465 3.836 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.003 -8.598 4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.494 -11.017 4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.880 -10.632 5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.417 -11.612 3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.219 -11.666 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.097 -13.329 5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.688 -13.916 3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.420 -13.399 2.545 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.851 -12.952 4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.256 -15.209 3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.334 -15.191 4.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.886 -15.624 3.364 1.00 0.00 H new ATOM 1131 N LYS A 70 -2.843 -9.615 1.270 1.00 0.00 N ATOM 1132 CA LYS A 70 -2.399 -9.696 -0.131 1.00 0.00 C ATOM 1133 C LYS A 70 -3.530 -9.303 -1.079 1.00 0.00 C ATOM 1134 O LYS A 70 -4.719 -9.435 -0.762 1.00 0.00 O ATOM 1135 CB LYS A 70 -1.806 -11.108 -0.510 1.00 0.00 C ATOM 1136 CG LYS A 70 -2.796 -12.202 -1.003 1.00 0.00 C ATOM 1137 CD LYS A 70 -3.776 -12.686 0.083 1.00 0.00 C ATOM 1138 CE LYS A 70 -4.832 -13.669 -0.454 1.00 0.00 C ATOM 1139 NZ LYS A 70 -4.235 -14.948 -0.926 1.00 0.00 N ATOM 0 H LYS A 70 -3.838 -9.799 1.400 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.583 -8.982 -0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.057 -10.959 -1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.284 -11.498 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.366 -11.810 -1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.227 -13.055 -1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.214 -13.167 0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.279 -11.824 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.559 -13.879 0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.375 -13.201 -1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.988 -15.574 -1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.560 -14.754 -1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.739 -15.411 -0.138 1.00 0.00 H new ATOM 1153 N PHE A 71 -3.116 -8.832 -2.246 1.00 0.00 N ATOM 1154 CA PHE A 71 -3.986 -8.452 -3.355 1.00 0.00 C ATOM 1155 C PHE A 71 -3.556 -9.237 -4.605 1.00 0.00 C ATOM 1156 O PHE A 71 -2.633 -10.063 -4.550 1.00 0.00 O ATOM 1157 CB PHE A 71 -3.898 -6.912 -3.580 1.00 0.00 C ATOM 1158 CG PHE A 71 -2.471 -6.388 -3.786 1.00 0.00 C ATOM 1159 CD1 PHE A 71 -1.684 -6.000 -2.696 1.00 0.00 C ATOM 1160 CD2 PHE A 71 -1.912 -6.300 -5.062 1.00 0.00 C ATOM 1161 CE1 PHE A 71 -0.390 -5.545 -2.883 1.00 0.00 C ATOM 1162 CE2 PHE A 71 -0.621 -5.844 -5.246 1.00 0.00 C ATOM 1163 CZ PHE A 71 0.141 -5.466 -4.156 1.00 0.00 C ATOM 0 H PHE A 71 -2.127 -8.698 -2.457 1.00 0.00 H new ATOM 0 HA PHE A 71 -5.026 -8.694 -3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -4.499 -6.648 -4.450 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.339 -6.405 -2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.091 -6.056 -1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.499 -6.593 -5.920 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.206 -5.251 -2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.207 -5.783 -6.242 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.150 -5.109 -4.300 1.00 0.00 H new ATOM 1173 N THR A 72 -4.224 -8.974 -5.723 1.00 0.00 N ATOM 1174 CA THR A 72 -3.850 -9.525 -7.029 1.00 0.00 C ATOM 1175 C THR A 72 -3.698 -8.358 -8.014 1.00 0.00 C ATOM 1176 O THR A 72 -4.286 -7.295 -7.811 1.00 0.00 O ATOM 1177 CB THR A 72 -4.919 -10.547 -7.544 1.00 0.00 C ATOM 1178 OG1 THR A 72 -5.327 -11.404 -6.459 1.00 0.00 O ATOM 1179 CG2 THR A 72 -4.397 -11.419 -8.707 1.00 0.00 C ATOM 0 H THR A 72 -5.045 -8.370 -5.753 1.00 0.00 H new ATOM 0 HA THR A 72 -2.909 -10.068 -6.939 1.00 0.00 H new ATOM 0 HB THR A 72 -5.762 -9.968 -7.920 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.151 -11.055 -6.059 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.179 -12.109 -9.024 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.116 -10.779 -9.544 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.527 -11.985 -8.375 1.00 0.00 H new ATOM 1187 N GLU A 73 -2.896 -8.562 -9.064 1.00 0.00 N ATOM 1188 CA GLU A 73 -2.691 -7.560 -10.117 1.00 0.00 C ATOM 1189 C GLU A 73 -3.965 -7.408 -10.976 1.00 0.00 C ATOM 1190 O GLU A 73 -4.285 -6.308 -11.400 1.00 0.00 O ATOM 1191 CB GLU A 73 -1.469 -7.933 -10.998 1.00 0.00 C ATOM 1192 CG GLU A 73 -1.555 -9.321 -11.662 1.00 0.00 C ATOM 1193 CD GLU A 73 -0.362 -9.613 -12.583 1.00 0.00 C ATOM 1194 OE1 GLU A 73 0.718 -9.973 -12.079 1.00 0.00 O ATOM 1195 OE2 GLU A 73 -0.493 -9.459 -13.819 1.00 0.00 O ATOM 0 H GLU A 73 -2.371 -9.425 -9.209 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.485 -6.600 -9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.356 -7.179 -11.777 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.570 -7.894 -10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.607 -10.087 -10.888 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.478 -9.387 -12.238 1.00 0.00 H new ATOM 1202 N GLU A 74 -4.706 -8.526 -11.172 1.00 0.00 N ATOM 1203 CA GLU A 74 -5.893 -8.587 -12.067 1.00 0.00 C ATOM 1204 C GLU A 74 -6.997 -7.615 -11.607 1.00 0.00 C ATOM 1205 O GLU A 74 -7.543 -6.842 -12.406 1.00 0.00 O ATOM 1206 CB GLU A 74 -6.454 -10.030 -12.109 1.00 0.00 C ATOM 1207 CG GLU A 74 -5.416 -11.116 -12.417 1.00 0.00 C ATOM 1208 CD GLU A 74 -6.060 -12.508 -12.530 1.00 0.00 C ATOM 1209 OE1 GLU A 74 -6.363 -13.117 -11.479 1.00 0.00 O ATOM 1210 OE2 GLU A 74 -6.287 -12.987 -13.664 1.00 0.00 O ATOM 0 H GLU A 74 -4.499 -9.414 -10.714 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.572 -8.290 -13.065 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.917 -10.253 -11.148 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.242 -10.077 -12.861 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.905 -10.876 -13.349 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.660 -11.128 -11.632 1.00 0.00 H new ATOM 1217 N GLU A 75 -7.254 -7.630 -10.288 1.00 0.00 N ATOM 1218 CA GLU A 75 -8.298 -6.801 -9.643 1.00 0.00 C ATOM 1219 C GLU A 75 -7.883 -5.315 -9.571 1.00 0.00 C ATOM 1220 O GLU A 75 -8.652 -4.480 -9.098 1.00 0.00 O ATOM 1221 CB GLU A 75 -8.612 -7.357 -8.224 1.00 0.00 C ATOM 1222 CG GLU A 75 -7.405 -7.369 -7.259 1.00 0.00 C ATOM 1223 CD GLU A 75 -7.617 -8.214 -5.990 1.00 0.00 C ATOM 1224 OE1 GLU A 75 -7.821 -9.440 -6.126 1.00 0.00 O ATOM 1225 OE2 GLU A 75 -7.534 -7.679 -4.863 1.00 0.00 O ATOM 0 H GLU A 75 -6.743 -8.220 -9.632 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.199 -6.854 -10.254 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.409 -6.759 -7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.993 -8.374 -8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.533 -7.747 -7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.179 -6.344 -6.965 1.00 0.00 H new ATOM 1232 N LEU A 76 -6.651 -5.009 -10.024 1.00 0.00 N ATOM 1233 CA LEU A 76 -6.135 -3.641 -10.156 1.00 0.00 C ATOM 1234 C LEU A 76 -6.161 -3.216 -11.640 1.00 0.00 C ATOM 1235 O LEU A 76 -6.472 -2.069 -11.960 1.00 0.00 O ATOM 1236 CB LEU A 76 -4.684 -3.573 -9.609 1.00 0.00 C ATOM 1237 CG LEU A 76 -4.479 -4.037 -8.136 1.00 0.00 C ATOM 1238 CD1 LEU A 76 -2.979 -4.018 -7.767 1.00 0.00 C ATOM 1239 CD2 LEU A 76 -5.331 -3.199 -7.151 1.00 0.00 C ATOM 0 H LEU A 76 -5.979 -5.720 -10.312 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.763 -2.961 -9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.047 -4.182 -10.251 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.334 -2.544 -9.696 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.829 -5.066 -8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.854 -4.345 -6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.433 -4.690 -8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.590 -3.006 -7.877 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.162 -3.551 -6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.045 -2.150 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.387 -3.305 -7.401 1.00 0.00 H new ATOM 1251 N LYS A 77 -5.848 -4.171 -12.542 1.00 0.00 N ATOM 1252 CA LYS A 77 -5.684 -3.898 -13.990 1.00 0.00 C ATOM 1253 C LYS A 77 -7.033 -3.725 -14.709 1.00 0.00 C ATOM 1254 O LYS A 77 -7.080 -3.123 -15.785 1.00 0.00 O ATOM 1255 CB LYS A 77 -4.857 -5.010 -14.675 1.00 0.00 C ATOM 1256 CG LYS A 77 -3.412 -5.128 -14.140 1.00 0.00 C ATOM 1257 CD LYS A 77 -2.512 -5.948 -15.075 1.00 0.00 C ATOM 1258 CE LYS A 77 -1.072 -6.102 -14.552 1.00 0.00 C ATOM 1259 NZ LYS A 77 -0.274 -7.025 -15.406 1.00 0.00 N ATOM 0 H LYS A 77 -5.702 -5.149 -12.291 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.144 -2.954 -14.069 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.365 -5.965 -14.538 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.823 -4.817 -15.747 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.990 -4.131 -14.015 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.428 -5.593 -13.154 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.949 -6.937 -15.214 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.487 -5.471 -16.055 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.589 -5.125 -14.521 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.094 -6.479 -13.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.694 -6.658 -15.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.245 -7.967 -14.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.713 -7.095 -16.346 1.00 0.00 H new ATOM 1273 N THR A 78 -8.117 -4.244 -14.111 1.00 0.00 N ATOM 1274 CA THR A 78 -9.468 -4.190 -14.711 1.00 0.00 C ATOM 1275 C THR A 78 -10.049 -2.751 -14.754 1.00 0.00 C ATOM 1276 O THR A 78 -9.610 -1.856 -14.016 1.00 0.00 O ATOM 1277 CB THR A 78 -10.463 -5.159 -13.970 1.00 0.00 C ATOM 1278 OG1 THR A 78 -11.785 -5.039 -14.522 1.00 0.00 O ATOM 1279 CG2 THR A 78 -10.526 -4.906 -12.456 1.00 0.00 C ATOM 0 H THR A 78 -8.087 -4.711 -13.204 1.00 0.00 H new ATOM 0 HA THR A 78 -9.355 -4.524 -15.742 1.00 0.00 H new ATOM 0 HB THR A 78 -10.079 -6.168 -14.123 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.307 -5.837 -14.297 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.228 -5.604 -11.999 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.537 -5.050 -12.022 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.858 -3.884 -12.271 1.00 0.00 H new ATOM 1287 N LYS A 79 -11.034 -2.562 -15.652 1.00 0.00 N ATOM 1288 CA LYS A 79 -11.812 -1.313 -15.812 1.00 0.00 C ATOM 1289 C LYS A 79 -12.563 -0.964 -14.517 1.00 0.00 C ATOM 1290 O LYS A 79 -12.617 0.207 -14.110 1.00 0.00 O ATOM 1291 CB LYS A 79 -12.813 -1.494 -16.992 1.00 0.00 C ATOM 1292 CG LYS A 79 -13.960 -0.459 -17.060 1.00 0.00 C ATOM 1293 CD LYS A 79 -14.911 -0.683 -18.258 1.00 0.00 C ATOM 1294 CE LYS A 79 -16.191 0.167 -18.152 1.00 0.00 C ATOM 1295 NZ LYS A 79 -15.905 1.608 -17.915 1.00 0.00 N ATOM 0 H LYS A 79 -11.320 -3.291 -16.305 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.132 -0.489 -16.029 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -12.255 -1.453 -17.928 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -13.250 -2.490 -16.924 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.535 -0.502 -16.135 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.534 0.542 -17.125 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.390 -0.438 -19.184 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -15.181 -1.738 -18.313 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -16.769 0.062 -19.070 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.810 -0.215 -17.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.669 2.185 -18.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.844 1.786 -16.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.002 1.861 -18.365 1.00 0.00 H new ATOM 1309 N GLU A 80 -13.112 -2.019 -13.879 1.00 0.00 N ATOM 1310 CA GLU A 80 -13.910 -1.908 -12.641 1.00 0.00 C ATOM 1311 C GLU A 80 -13.057 -1.257 -11.537 1.00 0.00 C ATOM 1312 O GLU A 80 -13.535 -0.422 -10.768 1.00 0.00 O ATOM 1313 CB GLU A 80 -14.412 -3.316 -12.182 1.00 0.00 C ATOM 1314 CG GLU A 80 -14.887 -4.266 -13.315 1.00 0.00 C ATOM 1315 CD GLU A 80 -15.941 -3.667 -14.264 1.00 0.00 C ATOM 1316 OE1 GLU A 80 -17.149 -3.766 -13.969 1.00 0.00 O ATOM 1317 OE2 GLU A 80 -15.566 -3.115 -15.325 1.00 0.00 O ATOM 0 H GLU A 80 -13.013 -2.978 -14.211 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.783 -1.284 -12.836 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.607 -3.807 -11.635 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -15.235 -3.177 -11.481 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -14.020 -4.569 -13.903 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.297 -5.169 -12.864 1.00 0.00 H new ATOM 1324 N ALA A 81 -11.759 -1.625 -11.541 1.00 0.00 N ATOM 1325 CA ALA A 81 -10.767 -1.116 -10.610 1.00 0.00 C ATOM 1326 C ALA A 81 -10.504 0.372 -10.852 1.00 0.00 C ATOM 1327 O ALA A 81 -10.483 1.112 -9.910 1.00 0.00 O ATOM 1328 CB ALA A 81 -9.467 -1.908 -10.716 1.00 0.00 C ATOM 0 H ALA A 81 -11.378 -2.296 -12.208 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.163 -1.235 -9.601 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.739 -1.509 -10.010 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.659 -2.956 -10.486 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.072 -1.826 -11.729 1.00 0.00 H new ATOM 1334 N LYS A 82 -10.336 0.796 -12.130 1.00 0.00 N ATOM 1335 CA LYS A 82 -10.028 2.220 -12.480 1.00 0.00 C ATOM 1336 C LYS A 82 -11.027 3.189 -11.829 1.00 0.00 C ATOM 1337 O LYS A 82 -10.646 4.218 -11.255 1.00 0.00 O ATOM 1338 CB LYS A 82 -10.054 2.451 -14.012 1.00 0.00 C ATOM 1339 CG LYS A 82 -9.015 1.661 -14.832 1.00 0.00 C ATOM 1340 CD LYS A 82 -7.529 1.899 -14.412 1.00 0.00 C ATOM 1341 CE LYS A 82 -6.976 0.768 -13.525 1.00 0.00 C ATOM 1342 NZ LYS A 82 -6.970 -0.534 -14.243 1.00 0.00 N ATOM 0 H LYS A 82 -10.407 0.179 -12.939 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.026 2.416 -12.099 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.048 2.197 -14.381 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.905 3.514 -14.202 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.237 0.597 -14.744 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.127 1.924 -15.884 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.912 1.989 -15.306 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.454 2.845 -13.877 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.963 1.015 -13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.580 0.684 -12.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.357 -1.206 -13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.938 -0.912 -14.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.611 -0.396 -15.209 1.00 0.00 H new ATOM 1356 N GLU A 83 -12.304 2.801 -11.917 1.00 0.00 N ATOM 1357 CA GLU A 83 -13.424 3.542 -11.347 1.00 0.00 C ATOM 1358 C GLU A 83 -13.399 3.457 -9.807 1.00 0.00 C ATOM 1359 O GLU A 83 -13.571 4.464 -9.144 1.00 0.00 O ATOM 1360 CB GLU A 83 -14.737 2.993 -11.958 1.00 0.00 C ATOM 1361 CG GLU A 83 -14.825 3.233 -13.483 1.00 0.00 C ATOM 1362 CD GLU A 83 -16.009 2.535 -14.168 1.00 0.00 C ATOM 1363 OE1 GLU A 83 -17.164 2.952 -13.947 1.00 0.00 O ATOM 1364 OE2 GLU A 83 -15.792 1.585 -14.950 1.00 0.00 O ATOM 0 H GLU A 83 -12.589 1.947 -12.396 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.350 4.601 -11.593 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.809 1.924 -11.757 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.588 3.467 -11.469 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.896 4.305 -13.666 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.900 2.891 -13.946 1.00 0.00 H new ATOM 1371 N ARG A 84 -13.106 2.264 -9.255 1.00 0.00 N ATOM 1372 CA ARG A 84 -12.969 2.061 -7.786 1.00 0.00 C ATOM 1373 C ARG A 84 -11.839 2.928 -7.192 1.00 0.00 C ATOM 1374 O ARG A 84 -12.000 3.512 -6.131 1.00 0.00 O ATOM 1375 CB ARG A 84 -12.734 0.560 -7.454 1.00 0.00 C ATOM 1376 CG ARG A 84 -13.997 -0.320 -7.612 1.00 0.00 C ATOM 1377 CD ARG A 84 -13.732 -1.807 -7.323 1.00 0.00 C ATOM 1378 NE ARG A 84 -14.979 -2.584 -7.233 1.00 0.00 N ATOM 1379 CZ ARG A 84 -15.067 -3.841 -6.769 1.00 0.00 C ATOM 1380 NH1 ARG A 84 -13.977 -4.546 -6.473 1.00 0.00 N ATOM 1381 NH2 ARG A 84 -16.251 -4.392 -6.611 1.00 0.00 N ATOM 0 H ARG A 84 -12.957 1.416 -9.802 1.00 0.00 H new ATOM 0 HA ARG A 84 -13.906 2.377 -7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -11.949 0.172 -8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -12.370 0.477 -6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -14.773 0.043 -6.938 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -14.382 -0.215 -8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -13.103 -2.222 -8.110 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -13.178 -1.901 -6.389 1.00 0.00 H new ATOM 0 HE ARG A 84 -15.839 -2.135 -7.546 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.053 -4.133 -6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.066 -5.499 -6.122 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -17.094 -3.865 -6.840 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -16.327 -5.346 -6.259 1.00 0.00 H new ATOM 1395 N TRP A 85 -10.716 3.021 -7.922 1.00 0.00 N ATOM 1396 CA TRP A 85 -9.529 3.818 -7.531 1.00 0.00 C ATOM 1397 C TRP A 85 -9.886 5.311 -7.532 1.00 0.00 C ATOM 1398 O TRP A 85 -9.406 6.063 -6.699 1.00 0.00 O ATOM 1399 CB TRP A 85 -8.332 3.645 -8.512 1.00 0.00 C ATOM 1400 CG TRP A 85 -7.720 2.271 -8.681 1.00 0.00 C ATOM 1401 CD1 TRP A 85 -8.127 1.061 -8.182 1.00 0.00 C ATOM 1402 CD2 TRP A 85 -6.537 2.009 -9.439 1.00 0.00 C ATOM 1403 NE1 TRP A 85 -7.293 0.067 -8.636 1.00 0.00 N ATOM 1404 CE2 TRP A 85 -6.303 0.633 -9.397 1.00 0.00 C ATOM 1405 CE3 TRP A 85 -5.662 2.825 -10.164 1.00 0.00 C ATOM 1406 CZ2 TRP A 85 -5.231 0.048 -10.050 1.00 0.00 C ATOM 1407 CZ3 TRP A 85 -4.591 2.242 -10.804 1.00 0.00 C ATOM 1408 CH2 TRP A 85 -4.383 0.860 -10.745 1.00 0.00 C ATOM 0 H TRP A 85 -10.600 2.540 -8.814 1.00 0.00 H new ATOM 0 HA TRP A 85 -9.237 3.461 -6.544 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.659 3.984 -9.495 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -7.540 4.321 -8.189 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.975 0.911 -7.530 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.394 -0.929 -8.439 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.823 3.891 -10.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.071 -1.019 -10.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -3.902 2.861 -11.359 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.537 0.428 -11.258 1.00 0.00 H new ATOM 1419 N ARG A 86 -10.692 5.708 -8.533 1.00 0.00 N ATOM 1420 CA ARG A 86 -11.154 7.096 -8.727 1.00 0.00 C ATOM 1421 C ARG A 86 -12.061 7.528 -7.566 1.00 0.00 C ATOM 1422 O ARG A 86 -11.865 8.590 -6.986 1.00 0.00 O ATOM 1423 CB ARG A 86 -11.899 7.201 -10.083 1.00 0.00 C ATOM 1424 CG ARG A 86 -12.467 8.594 -10.435 1.00 0.00 C ATOM 1425 CD ARG A 86 -13.075 8.605 -11.850 1.00 0.00 C ATOM 1426 NE ARG A 86 -13.530 9.936 -12.298 1.00 0.00 N ATOM 1427 CZ ARG A 86 -13.682 10.303 -13.585 1.00 0.00 C ATOM 1428 NH1 ARG A 86 -13.427 9.453 -14.581 1.00 0.00 N ATOM 1429 NH2 ARG A 86 -14.105 11.521 -13.874 1.00 0.00 N ATOM 0 H ARG A 86 -11.046 5.065 -9.241 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.295 7.766 -8.742 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.215 6.898 -10.876 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.721 6.485 -10.080 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.228 8.874 -9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.675 9.340 -10.371 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.334 8.229 -12.556 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.919 7.916 -11.877 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.745 10.628 -11.580 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.111 8.506 -14.374 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.548 9.751 -15.549 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.315 12.179 -13.124 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.221 11.803 -14.847 1.00 0.00 H new ATOM 1443 N LYS A 87 -13.046 6.670 -7.234 1.00 0.00 N ATOM 1444 CA LYS A 87 -13.957 6.871 -6.083 1.00 0.00 C ATOM 1445 C LYS A 87 -13.171 6.895 -4.742 1.00 0.00 C ATOM 1446 O LYS A 87 -13.513 7.646 -3.820 1.00 0.00 O ATOM 1447 CB LYS A 87 -15.069 5.767 -6.060 1.00 0.00 C ATOM 1448 CG LYS A 87 -16.326 6.046 -6.941 1.00 0.00 C ATOM 1449 CD LYS A 87 -16.052 6.036 -8.465 1.00 0.00 C ATOM 1450 CE LYS A 87 -17.308 6.318 -9.313 1.00 0.00 C ATOM 1451 NZ LYS A 87 -17.060 6.145 -10.772 1.00 0.00 N ATOM 0 H LYS A 87 -13.235 5.815 -7.756 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.440 7.841 -6.201 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.625 4.825 -6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.395 5.629 -5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.086 5.298 -6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.741 7.015 -6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.292 6.782 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.642 5.066 -8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.110 5.649 -9.002 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.650 7.336 -9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.908 6.427 -11.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.257 6.739 -11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.842 5.148 -10.971 1.00 0.00 H new ATOM 1465 N PHE A 88 -12.108 6.079 -4.681 1.00 0.00 N ATOM 1466 CA PHE A 88 -11.213 5.956 -3.511 1.00 0.00 C ATOM 1467 C PHE A 88 -10.366 7.241 -3.344 1.00 0.00 C ATOM 1468 O PHE A 88 -10.205 7.760 -2.239 1.00 0.00 O ATOM 1469 CB PHE A 88 -10.310 4.702 -3.729 1.00 0.00 C ATOM 1470 CG PHE A 88 -9.473 4.219 -2.547 1.00 0.00 C ATOM 1471 CD1 PHE A 88 -9.883 4.424 -1.231 1.00 0.00 C ATOM 1472 CD2 PHE A 88 -8.285 3.516 -2.766 1.00 0.00 C ATOM 1473 CE1 PHE A 88 -9.131 3.950 -0.178 1.00 0.00 C ATOM 1474 CE2 PHE A 88 -7.534 3.048 -1.708 1.00 0.00 C ATOM 1475 CZ PHE A 88 -7.957 3.267 -0.415 1.00 0.00 C ATOM 0 H PHE A 88 -11.838 5.473 -5.456 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.792 5.834 -2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.950 3.879 -4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -9.632 4.916 -4.555 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.800 4.960 -1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.951 3.337 -3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.462 4.114 0.837 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.616 2.511 -1.893 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.368 2.903 0.414 1.00 0.00 H new ATOM 1485 N PHE A 89 -9.869 7.748 -4.483 1.00 0.00 N ATOM 1486 CA PHE A 89 -9.034 8.962 -4.573 1.00 0.00 C ATOM 1487 C PHE A 89 -9.836 10.215 -4.186 1.00 0.00 C ATOM 1488 O PHE A 89 -9.371 11.024 -3.391 1.00 0.00 O ATOM 1489 CB PHE A 89 -8.461 9.093 -6.027 1.00 0.00 C ATOM 1490 CG PHE A 89 -8.032 10.506 -6.457 1.00 0.00 C ATOM 1491 CD1 PHE A 89 -7.057 11.206 -5.750 1.00 0.00 C ATOM 1492 CD2 PHE A 89 -8.624 11.138 -7.558 1.00 0.00 C ATOM 1493 CE1 PHE A 89 -6.684 12.481 -6.129 1.00 0.00 C ATOM 1494 CE2 PHE A 89 -8.248 12.416 -7.932 1.00 0.00 C ATOM 1495 CZ PHE A 89 -7.280 13.086 -7.217 1.00 0.00 C ATOM 0 H PHE A 89 -10.039 7.316 -5.391 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.207 8.875 -3.869 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.601 8.430 -6.118 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.216 8.735 -6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.586 10.746 -4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.385 10.620 -8.123 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.923 13.007 -5.572 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -8.714 12.888 -8.785 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.988 14.084 -7.508 1.00 0.00 H new ATOM 1505 N THR A 90 -11.034 10.352 -4.774 1.00 0.00 N ATOM 1506 CA THR A 90 -11.900 11.541 -4.602 1.00 0.00 C ATOM 1507 C THR A 90 -12.287 11.806 -3.123 1.00 0.00 C ATOM 1508 O THR A 90 -12.762 12.897 -2.788 1.00 0.00 O ATOM 1509 CB THR A 90 -13.159 11.458 -5.522 1.00 0.00 C ATOM 1510 OG1 THR A 90 -13.826 10.201 -5.329 1.00 0.00 O ATOM 1511 CG2 THR A 90 -12.786 11.623 -7.015 1.00 0.00 C ATOM 0 H THR A 90 -11.436 9.642 -5.386 1.00 0.00 H new ATOM 0 HA THR A 90 -11.308 12.402 -4.913 1.00 0.00 H new ATOM 0 HB THR A 90 -13.825 12.276 -5.246 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.330 9.493 -5.791 1.00 0.00 H new ATOM 0 HG21 THR A 90 -13.688 11.560 -7.624 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.313 12.593 -7.167 1.00 0.00 H new ATOM 0 HG23 THR A 90 -12.095 10.833 -7.307 1.00 0.00 H new ATOM 1519 N ILE A 91 -12.096 10.797 -2.254 1.00 0.00 N ATOM 1520 CA ILE A 91 -12.181 10.969 -0.795 1.00 0.00 C ATOM 1521 C ILE A 91 -10.933 11.746 -0.286 1.00 0.00 C ATOM 1522 O ILE A 91 -11.051 12.786 0.368 1.00 0.00 O ATOM 1523 CB ILE A 91 -12.290 9.572 -0.064 1.00 0.00 C ATOM 1524 CG1 ILE A 91 -13.505 8.751 -0.612 1.00 0.00 C ATOM 1525 CG2 ILE A 91 -12.381 9.742 1.475 1.00 0.00 C ATOM 1526 CD1 ILE A 91 -13.634 7.332 -0.057 1.00 0.00 C ATOM 0 H ILE A 91 -11.879 9.843 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 91 -13.081 11.539 -0.565 1.00 0.00 H new ATOM 0 HB ILE A 91 -11.379 9.014 -0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -14.422 9.296 -0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.425 8.694 -1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -12.455 8.762 1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -11.489 10.253 1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.263 10.331 1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -14.505 6.847 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -12.738 6.762 -0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -13.751 7.374 1.026 1.00 0.00 H new ATOM 1538 N PHE A 92 -9.733 11.243 -0.643 1.00 0.00 N ATOM 1539 CA PHE A 92 -8.433 11.744 -0.112 1.00 0.00 C ATOM 1540 C PHE A 92 -7.763 12.774 -1.042 1.00 0.00 C ATOM 1541 O PHE A 92 -6.587 13.108 -0.851 1.00 0.00 O ATOM 1542 CB PHE A 92 -7.483 10.546 0.126 1.00 0.00 C ATOM 1543 CG PHE A 92 -8.123 9.440 0.950 1.00 0.00 C ATOM 1544 CD1 PHE A 92 -8.457 9.643 2.288 1.00 0.00 C ATOM 1545 CD2 PHE A 92 -8.422 8.211 0.375 1.00 0.00 C ATOM 1546 CE1 PHE A 92 -9.068 8.644 3.017 1.00 0.00 C ATOM 1547 CE2 PHE A 92 -9.024 7.217 1.107 1.00 0.00 C ATOM 1548 CZ PHE A 92 -9.349 7.434 2.424 1.00 0.00 C ATOM 0 H PHE A 92 -9.630 10.477 -1.308 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.639 12.259 0.827 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.169 10.141 -0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.584 10.896 0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.236 10.590 2.758 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.178 8.035 -0.662 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.326 8.811 4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.242 6.264 0.647 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.827 6.652 2.996 1.00 0.00 H new ATOM 1558 N GLU A 93 -8.516 13.298 -2.023 1.00 0.00 N ATOM 1559 CA GLU A 93 -8.005 14.315 -2.968 1.00 0.00 C ATOM 1560 C GLU A 93 -7.855 15.701 -2.282 1.00 0.00 C ATOM 1561 O GLU A 93 -7.205 16.606 -2.816 1.00 0.00 O ATOM 1562 CB GLU A 93 -8.928 14.371 -4.222 1.00 0.00 C ATOM 1563 CG GLU A 93 -10.396 14.813 -3.989 1.00 0.00 C ATOM 1564 CD GLU A 93 -10.619 16.324 -4.122 1.00 0.00 C ATOM 1565 OE1 GLU A 93 -10.689 16.825 -5.261 1.00 0.00 O ATOM 1566 OE2 GLU A 93 -10.710 17.018 -3.103 1.00 0.00 O ATOM 0 H GLU A 93 -9.488 13.034 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.005 14.029 -3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.479 15.052 -4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.939 13.382 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.038 14.297 -4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.707 14.496 -2.993 1.00 0.00 H new ATOM 1573 N LYS A 94 -8.498 15.853 -1.103 1.00 0.00 N ATOM 1574 CA LYS A 94 -8.343 17.036 -0.232 1.00 0.00 C ATOM 1575 C LYS A 94 -6.960 17.034 0.470 1.00 0.00 C ATOM 1576 O LYS A 94 -6.429 18.104 0.805 1.00 0.00 O ATOM 1577 CB LYS A 94 -9.466 17.056 0.851 1.00 0.00 C ATOM 1578 CG LYS A 94 -10.920 17.174 0.332 1.00 0.00 C ATOM 1579 CD LYS A 94 -11.240 18.558 -0.280 1.00 0.00 C ATOM 1580 CE LYS A 94 -12.716 18.696 -0.711 1.00 0.00 C ATOM 1581 NZ LYS A 94 -13.108 17.653 -1.693 1.00 0.00 N ATOM 0 H LYS A 94 -9.141 15.155 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.418 17.924 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.387 16.144 1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.275 17.890 1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.094 16.403 -0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.609 16.980 1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.005 19.335 0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.597 18.725 -1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.358 18.627 0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.876 19.682 -1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.837 18.032 -2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.276 17.370 -2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.485 16.825 -1.189 1.00 0.00 H new ATOM 1595 N LYS A 95 -6.390 15.823 0.694 1.00 0.00 N ATOM 1596 CA LYS A 95 -5.209 15.635 1.573 1.00 0.00 C ATOM 1597 C LYS A 95 -4.014 14.972 0.845 1.00 0.00 C ATOM 1598 O LYS A 95 -2.972 15.614 0.674 1.00 0.00 O ATOM 1599 CB LYS A 95 -5.575 14.865 2.897 1.00 0.00 C ATOM 1600 CG LYS A 95 -6.532 13.645 2.794 1.00 0.00 C ATOM 1601 CD LYS A 95 -8.024 14.041 2.661 1.00 0.00 C ATOM 1602 CE LYS A 95 -8.528 14.951 3.800 1.00 0.00 C ATOM 1603 NZ LYS A 95 -8.492 14.283 5.122 1.00 0.00 N ATOM 0 H LYS A 95 -6.732 14.958 0.275 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.884 16.637 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.645 14.522 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.021 15.581 3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.246 13.041 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.407 13.020 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.172 14.550 1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -8.630 13.136 2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.917 15.853 3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.549 15.266 3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.078 14.815 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -8.861 13.315 5.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.512 14.249 5.467 1.00 0.00 H new ATOM 1617 N ILE A 96 -4.152 13.693 0.435 1.00 0.00 N ATOM 1618 CA ILE A 96 -3.032 12.915 -0.138 1.00 0.00 C ATOM 1619 C ILE A 96 -2.709 13.393 -1.571 1.00 0.00 C ATOM 1620 O ILE A 96 -3.338 12.975 -2.554 1.00 0.00 O ATOM 1621 CB ILE A 96 -3.304 11.363 -0.112 1.00 0.00 C ATOM 1622 CG1 ILE A 96 -3.683 10.880 1.329 1.00 0.00 C ATOM 1623 CG2 ILE A 96 -2.076 10.580 -0.650 1.00 0.00 C ATOM 1624 CD1 ILE A 96 -2.619 11.127 2.401 1.00 0.00 C ATOM 0 H ILE A 96 -5.030 13.176 0.490 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.162 13.095 0.494 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.152 11.161 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.603 11.379 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.897 9.812 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.286 9.511 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.872 10.884 -1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.207 10.795 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.978 10.757 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.702 10.604 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.419 12.196 2.475 1.00 0.00 H new ATOM 1636 N GLU A 97 -1.734 14.309 -1.647 1.00 0.00 N ATOM 1637 CA GLU A 97 -1.249 14.903 -2.905 1.00 0.00 C ATOM 1638 C GLU A 97 -0.408 13.892 -3.700 1.00 0.00 C ATOM 1639 O GLU A 97 -0.365 13.925 -4.932 1.00 0.00 O ATOM 1640 CB GLU A 97 -0.401 16.162 -2.592 1.00 0.00 C ATOM 1641 CG GLU A 97 -1.100 17.200 -1.693 1.00 0.00 C ATOM 1642 CD GLU A 97 -2.393 17.775 -2.297 1.00 0.00 C ATOM 1643 OE1 GLU A 97 -2.303 18.648 -3.183 1.00 0.00 O ATOM 1644 OE2 GLU A 97 -3.501 17.364 -1.893 1.00 0.00 O ATOM 0 H GLU A 97 -1.250 14.666 -0.823 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.110 15.183 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.525 15.849 -2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.126 16.641 -3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.333 16.738 -0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.408 18.018 -1.493 1.00 0.00 H new ATOM 1651 N ASP A 98 0.236 12.983 -2.956 1.00 0.00 N ATOM 1652 CA ASP A 98 1.202 12.001 -3.483 1.00 0.00 C ATOM 1653 C ASP A 98 0.511 10.765 -4.095 1.00 0.00 C ATOM 1654 O ASP A 98 1.202 9.857 -4.527 1.00 0.00 O ATOM 1655 CB ASP A 98 2.138 11.541 -2.325 1.00 0.00 C ATOM 1656 CG ASP A 98 2.816 12.705 -1.584 1.00 0.00 C ATOM 1657 OD1 ASP A 98 2.178 13.302 -0.685 1.00 0.00 O ATOM 1658 OD2 ASP A 98 3.981 13.039 -1.901 1.00 0.00 O ATOM 0 H ASP A 98 0.099 12.906 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 98 1.769 12.487 -4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.559 10.955 -1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.906 10.882 -2.730 1.00 0.00 H new ATOM 1663 N TYR A 99 -0.840 10.768 -4.169 1.00 0.00 N ATOM 1664 CA TYR A 99 -1.667 9.548 -4.390 1.00 0.00 C ATOM 1665 C TYR A 99 -1.189 8.667 -5.582 1.00 0.00 C ATOM 1666 O TYR A 99 -1.193 7.446 -5.478 1.00 0.00 O ATOM 1667 CB TYR A 99 -3.171 9.938 -4.568 1.00 0.00 C ATOM 1668 CG TYR A 99 -3.597 10.316 -6.000 1.00 0.00 C ATOM 1669 CD1 TYR A 99 -3.287 11.563 -6.551 1.00 0.00 C ATOM 1670 CD2 TYR A 99 -4.295 9.402 -6.807 1.00 0.00 C ATOM 1671 CE1 TYR A 99 -3.658 11.878 -7.848 1.00 0.00 C ATOM 1672 CE2 TYR A 99 -4.660 9.716 -8.102 1.00 0.00 C ATOM 1673 CZ TYR A 99 -4.341 10.955 -8.618 1.00 0.00 C ATOM 1674 OH TYR A 99 -4.696 11.277 -9.915 1.00 0.00 O ATOM 0 H TYR A 99 -1.395 11.619 -4.077 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.545 8.935 -3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -3.786 9.103 -4.234 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.390 10.778 -3.909 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.752 12.290 -5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -4.552 8.433 -6.406 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.413 12.847 -8.258 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.192 8.996 -8.706 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.169 10.521 -10.322 1.00 0.00 H new ATOM 1684 N ASN A 100 -0.761 9.324 -6.686 1.00 0.00 N ATOM 1685 CA ASN A 100 -0.467 8.675 -7.996 1.00 0.00 C ATOM 1686 C ASN A 100 1.030 8.296 -8.130 1.00 0.00 C ATOM 1687 O ASN A 100 1.438 7.655 -9.111 1.00 0.00 O ATOM 1688 CB ASN A 100 -0.893 9.650 -9.140 1.00 0.00 C ATOM 1689 CG ASN A 100 -0.920 9.039 -10.546 1.00 0.00 C ATOM 1690 OD1 ASN A 100 -1.191 7.847 -10.718 1.00 0.00 O ATOM 1691 ND2 ASN A 100 -0.639 9.851 -11.560 1.00 0.00 N ATOM 0 H ASN A 100 -0.607 10.332 -6.697 1.00 0.00 H new ATOM 0 HA ASN A 100 -1.033 7.746 -8.064 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.885 10.040 -8.912 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.210 10.499 -9.144 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -0.643 9.494 -12.515 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -0.419 10.831 -11.383 1.00 0.00 H new ATOM 1698 N PHE A 101 1.830 8.675 -7.122 1.00 0.00 N ATOM 1699 CA PHE A 101 3.283 8.459 -7.110 1.00 0.00 C ATOM 1700 C PHE A 101 3.581 6.956 -6.928 1.00 0.00 C ATOM 1701 O PHE A 101 3.146 6.343 -5.942 1.00 0.00 O ATOM 1702 CB PHE A 101 3.927 9.316 -5.986 1.00 0.00 C ATOM 1703 CG PHE A 101 5.448 9.209 -5.878 1.00 0.00 C ATOM 1704 CD1 PHE A 101 6.279 9.988 -6.686 1.00 0.00 C ATOM 1705 CD2 PHE A 101 6.047 8.340 -4.960 1.00 0.00 C ATOM 1706 CE1 PHE A 101 7.654 9.903 -6.577 1.00 0.00 C ATOM 1707 CE2 PHE A 101 7.420 8.256 -4.857 1.00 0.00 C ATOM 1708 CZ PHE A 101 8.222 9.039 -5.664 1.00 0.00 C ATOM 0 H PHE A 101 1.483 9.144 -6.285 1.00 0.00 H new ATOM 0 HA PHE A 101 3.717 8.773 -8.059 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.663 10.361 -6.151 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.489 9.023 -5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.842 10.665 -7.405 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.426 7.727 -4.324 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.284 10.513 -7.207 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.868 7.578 -4.145 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.297 8.975 -5.580 1.00 0.00 H new ATOM 1718 N GLY A 102 4.313 6.390 -7.902 1.00 0.00 N ATOM 1719 CA GLY A 102 4.610 4.964 -7.955 1.00 0.00 C ATOM 1720 C GLY A 102 5.498 4.504 -6.803 1.00 0.00 C ATOM 1721 O GLY A 102 6.671 4.879 -6.725 1.00 0.00 O ATOM 0 H GLY A 102 4.714 6.920 -8.676 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.676 4.402 -7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.101 4.734 -8.901 1.00 0.00 H new ATOM 1725 N THR A 103 4.906 3.721 -5.895 1.00 0.00 N ATOM 1726 CA THR A 103 5.586 3.143 -4.726 1.00 0.00 C ATOM 1727 C THR A 103 5.513 1.603 -4.778 1.00 0.00 C ATOM 1728 O THR A 103 4.462 1.042 -5.093 1.00 0.00 O ATOM 1729 CB THR A 103 4.903 3.675 -3.427 1.00 0.00 C ATOM 1730 OG1 THR A 103 4.885 5.106 -3.466 1.00 0.00 O ATOM 1731 CG2 THR A 103 5.616 3.210 -2.149 1.00 0.00 C ATOM 0 H THR A 103 3.920 3.465 -5.951 1.00 0.00 H new ATOM 0 HA THR A 103 6.636 3.436 -4.730 1.00 0.00 H new ATOM 0 HB THR A 103 3.891 3.270 -3.396 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.701 5.455 -3.051 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.098 3.610 -1.277 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.612 2.121 -2.106 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.645 3.569 -2.155 1.00 0.00 H new ATOM 1739 N LEU A 104 6.635 0.934 -4.466 1.00 0.00 N ATOM 1740 CA LEU A 104 6.716 -0.535 -4.467 1.00 0.00 C ATOM 1741 C LEU A 104 6.163 -1.087 -3.143 1.00 0.00 C ATOM 1742 O LEU A 104 6.649 -0.739 -2.058 1.00 0.00 O ATOM 1743 CB LEU A 104 8.179 -0.983 -4.687 1.00 0.00 C ATOM 1744 CG LEU A 104 8.452 -2.512 -4.805 1.00 0.00 C ATOM 1745 CD1 LEU A 104 7.616 -3.149 -5.929 1.00 0.00 C ATOM 1746 CD2 LEU A 104 9.967 -2.782 -4.998 1.00 0.00 C ATOM 0 H LEU A 104 7.508 1.394 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 104 6.113 -0.932 -5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.544 -0.505 -5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.777 -0.597 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 104 8.143 -2.983 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.832 -4.216 -5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.556 -3.003 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.867 -2.680 -6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.138 -3.856 -5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.311 -2.291 -5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.518 -2.390 -4.143 1.00 0.00 H new ATOM 1758 N LEU A 105 5.137 -1.931 -3.266 1.00 0.00 N ATOM 1759 CA LEU A 105 4.465 -2.601 -2.144 1.00 0.00 C ATOM 1760 C LEU A 105 4.620 -4.115 -2.336 1.00 0.00 C ATOM 1761 O LEU A 105 4.339 -4.622 -3.432 1.00 0.00 O ATOM 1762 CB LEU A 105 2.963 -2.202 -2.141 1.00 0.00 C ATOM 1763 CG LEU A 105 2.064 -2.816 -1.024 1.00 0.00 C ATOM 1764 CD1 LEU A 105 2.525 -2.372 0.378 1.00 0.00 C ATOM 1765 CD2 LEU A 105 0.569 -2.474 -1.251 1.00 0.00 C ATOM 0 H LEU A 105 4.738 -2.176 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 105 4.904 -2.306 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.902 -1.116 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.538 -2.478 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 105 2.171 -3.899 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.877 -2.818 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.552 -2.698 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.473 -1.286 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.030 -2.917 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.438 -1.392 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.247 -2.873 -2.213 1.00 0.00 H new ATOM 1777 N ARG A 106 5.093 -4.839 -1.297 1.00 0.00 N ATOM 1778 CA ARG A 106 5.222 -6.302 -1.379 1.00 0.00 C ATOM 1779 C ARG A 106 3.807 -6.905 -1.331 1.00 0.00 C ATOM 1780 O ARG A 106 2.983 -6.479 -0.513 1.00 0.00 O ATOM 1781 CB ARG A 106 6.221 -6.885 -0.299 1.00 0.00 C ATOM 1782 CG ARG A 106 5.640 -7.595 0.956 1.00 0.00 C ATOM 1783 CD ARG A 106 5.181 -6.653 2.081 1.00 0.00 C ATOM 1784 NE ARG A 106 4.649 -7.424 3.227 1.00 0.00 N ATOM 1785 CZ ARG A 106 4.262 -6.911 4.403 1.00 0.00 C ATOM 1786 NH1 ARG A 106 4.334 -5.612 4.638 1.00 0.00 N ATOM 1787 NH2 ARG A 106 3.794 -7.712 5.344 1.00 0.00 N ATOM 0 H ARG A 106 5.386 -4.437 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 106 5.684 -6.590 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.876 -7.594 -0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.848 -6.063 0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.793 -8.209 0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.396 -8.272 1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.018 -6.036 2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.414 -5.976 1.705 1.00 0.00 H new ATOM 0 HE ARG A 106 4.570 -8.434 3.112 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.689 -4.982 3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.035 -5.239 5.539 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.729 -8.716 5.173 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.498 -7.327 6.241 1.00 0.00 H new ATOM 1801 N THR A 107 3.526 -7.844 -2.250 1.00 0.00 N ATOM 1802 CA THR A 107 2.167 -8.350 -2.504 1.00 0.00 C ATOM 1803 C THR A 107 1.549 -8.981 -1.248 1.00 0.00 C ATOM 1804 O THR A 107 0.495 -8.542 -0.784 1.00 0.00 O ATOM 1805 CB THR A 107 2.178 -9.386 -3.679 1.00 0.00 C ATOM 1806 OG1 THR A 107 3.232 -10.335 -3.466 1.00 0.00 O ATOM 1807 CG2 THR A 107 2.373 -8.714 -5.049 1.00 0.00 C ATOM 0 H THR A 107 4.238 -8.275 -2.840 1.00 0.00 H new ATOM 0 HA THR A 107 1.549 -7.497 -2.785 1.00 0.00 H new ATOM 0 HB THR A 107 1.207 -9.882 -3.688 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.240 -10.985 -4.199 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.373 -9.474 -5.830 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.560 -8.010 -5.228 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.324 -8.181 -5.061 1.00 0.00 H new ATOM 1815 N ASP A 108 2.262 -9.947 -0.664 1.00 0.00 N ATOM 1816 CA ASP A 108 1.719 -10.805 0.414 1.00 0.00 C ATOM 1817 C ASP A 108 2.278 -10.376 1.783 1.00 0.00 C ATOM 1818 O ASP A 108 3.254 -9.625 1.859 1.00 0.00 O ATOM 1819 CB ASP A 108 2.041 -12.299 0.112 1.00 0.00 C ATOM 1820 CG ASP A 108 1.318 -13.299 1.040 1.00 0.00 C ATOM 1821 OD1 ASP A 108 0.172 -13.687 0.730 1.00 0.00 O ATOM 1822 OD2 ASP A 108 1.889 -13.691 2.080 1.00 0.00 O ATOM 0 H ASP A 108 3.226 -10.163 -0.916 1.00 0.00 H new ATOM 0 HA ASP A 108 0.636 -10.688 0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.769 -12.517 -0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 108 3.117 -12.452 0.198 1.00 0.00 H new ATOM 1827 N ALA A 109 1.617 -10.844 2.853 1.00 0.00 N ATOM 1828 CA ALA A 109 2.054 -10.654 4.241 1.00 0.00 C ATOM 1829 C ALA A 109 3.465 -11.218 4.455 1.00 0.00 C ATOM 1830 O ALA A 109 4.402 -10.470 4.752 1.00 0.00 O ATOM 1831 CB ALA A 109 1.071 -11.350 5.179 1.00 0.00 C ATOM 0 H ALA A 109 0.749 -11.374 2.774 1.00 0.00 H new ATOM 0 HA ALA A 109 2.079 -9.586 4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.392 -11.211 6.211 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.077 -10.922 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.040 -12.415 4.949 1.00 0.00 H new ATOM 1837 N SER A 110 3.595 -12.542 4.222 1.00 0.00 N ATOM 1838 CA SER A 110 4.848 -13.297 4.406 1.00 0.00 C ATOM 1839 C SER A 110 5.770 -13.198 3.158 1.00 0.00 C ATOM 1840 O SER A 110 6.688 -14.013 2.997 1.00 0.00 O ATOM 1841 CB SER A 110 4.516 -14.776 4.751 1.00 0.00 C ATOM 1842 OG SER A 110 3.607 -15.347 3.820 1.00 0.00 O ATOM 0 H SER A 110 2.821 -13.122 3.897 1.00 0.00 H new ATOM 0 HA SER A 110 5.401 -12.856 5.235 1.00 0.00 H new ATOM 0 HB2 SER A 110 5.436 -15.361 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 110 4.090 -14.828 5.753 1.00 0.00 H new ATOM 0 HG SER A 110 3.424 -16.277 4.070 1.00 0.00 H new ATOM 1848 N ALA A 111 5.530 -12.190 2.294 1.00 0.00 N ATOM 1849 CA ALA A 111 6.377 -11.912 1.124 1.00 0.00 C ATOM 1850 C ALA A 111 7.535 -10.971 1.503 1.00 0.00 C ATOM 1851 O ALA A 111 7.402 -10.115 2.386 1.00 0.00 O ATOM 1852 CB ALA A 111 5.540 -11.304 -0.010 1.00 0.00 C ATOM 0 H ALA A 111 4.743 -11.548 2.391 1.00 0.00 H new ATOM 0 HA ALA A 111 6.801 -12.854 0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.181 -11.104 -0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.755 -12.003 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.088 -10.372 0.330 1.00 0.00 H new ATOM 1858 N GLU A 112 8.665 -11.159 0.819 1.00 0.00 N ATOM 1859 CA GLU A 112 9.860 -10.307 0.949 1.00 0.00 C ATOM 1860 C GLU A 112 9.871 -9.239 -0.168 1.00 0.00 C ATOM 1861 O GLU A 112 8.917 -9.145 -0.955 1.00 0.00 O ATOM 1862 CB GLU A 112 11.121 -11.209 0.871 1.00 0.00 C ATOM 1863 CG GLU A 112 11.210 -12.062 -0.412 1.00 0.00 C ATOM 1864 CD GLU A 112 12.447 -12.967 -0.451 1.00 0.00 C ATOM 1865 OE1 GLU A 112 12.416 -14.064 0.147 1.00 0.00 O ATOM 1866 OE2 GLU A 112 13.465 -12.580 -1.059 1.00 0.00 O ATOM 0 H GLU A 112 8.783 -11.918 0.148 1.00 0.00 H new ATOM 0 HA GLU A 112 9.851 -9.786 1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 112 12.009 -10.580 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 112 11.134 -11.872 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 112 10.314 -12.678 -0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.223 -11.402 -1.279 1.00 0.00 H new ATOM 1873 N TYR A 113 10.954 -8.435 -0.231 1.00 0.00 N ATOM 1874 CA TYR A 113 11.165 -7.457 -1.319 1.00 0.00 C ATOM 1875 C TYR A 113 11.900 -8.147 -2.494 1.00 0.00 C ATOM 1876 O TYR A 113 13.121 -8.051 -2.646 1.00 0.00 O ATOM 1877 CB TYR A 113 11.883 -6.156 -0.800 1.00 0.00 C ATOM 1878 CG TYR A 113 13.206 -6.363 -0.026 1.00 0.00 C ATOM 1879 CD1 TYR A 113 13.205 -6.757 1.314 1.00 0.00 C ATOM 1880 CD2 TYR A 113 14.456 -6.166 -0.637 1.00 0.00 C ATOM 1881 CE1 TYR A 113 14.386 -6.948 2.007 1.00 0.00 C ATOM 1882 CE2 TYR A 113 15.635 -6.359 0.061 1.00 0.00 C ATOM 1883 CZ TYR A 113 15.592 -6.752 1.381 1.00 0.00 C ATOM 1884 OH TYR A 113 16.765 -6.938 2.082 1.00 0.00 O ATOM 0 H TYR A 113 11.700 -8.445 0.464 1.00 0.00 H new ATOM 0 HA TYR A 113 10.201 -7.114 -1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 113 12.085 -5.513 -1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 113 11.190 -5.618 -0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 113 12.263 -6.916 1.819 1.00 0.00 H new ATOM 0 HD2 TYR A 113 14.497 -5.858 -1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 113 14.360 -7.252 3.043 1.00 0.00 H new ATOM 0 HE2 TYR A 113 16.586 -6.202 -0.427 1.00 0.00 H new ATOM 0 HH TYR A 113 17.529 -6.760 1.494 1.00 0.00 H new ATOM 1894 N GLY A 114 11.125 -8.911 -3.288 1.00 0.00 N ATOM 1895 CA GLY A 114 11.648 -9.649 -4.448 1.00 0.00 C ATOM 1896 C GLY A 114 10.713 -9.533 -5.643 1.00 0.00 C ATOM 1897 O GLY A 114 9.516 -9.294 -5.455 1.00 0.00 O ATOM 0 H GLY A 114 10.123 -9.032 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.632 -9.263 -4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.778 -10.699 -4.186 1.00 0.00 H new ATOM 1901 N GLN A 115 11.261 -9.742 -6.861 1.00 0.00 N ATOM 1902 CA GLN A 115 10.563 -9.501 -8.158 1.00 0.00 C ATOM 1903 C GLN A 115 9.130 -10.093 -8.198 1.00 0.00 C ATOM 1904 O GLN A 115 8.168 -9.386 -8.514 1.00 0.00 O ATOM 1905 CB GLN A 115 11.414 -10.094 -9.325 1.00 0.00 C ATOM 1906 CG GLN A 115 10.786 -9.971 -10.738 1.00 0.00 C ATOM 1907 CD GLN A 115 11.600 -10.671 -11.835 1.00 0.00 C ATOM 1908 OE1 GLN A 115 11.410 -11.854 -12.102 1.00 0.00 O ATOM 1909 NE2 GLN A 115 12.512 -9.952 -12.475 1.00 0.00 N ATOM 0 H GLN A 115 12.213 -10.088 -6.980 1.00 0.00 H new ATOM 0 HA GLN A 115 10.459 -8.422 -8.270 1.00 0.00 H new ATOM 0 HB2 GLN A 115 12.384 -9.597 -9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 115 11.598 -11.148 -9.118 1.00 0.00 H new ATOM 0 HG2 GLN A 115 9.781 -10.393 -10.718 1.00 0.00 H new ATOM 0 HG3 GLN A 115 10.684 -8.916 -10.990 1.00 0.00 H new ATOM 0 HE21 GLN A 115 12.649 -8.971 -12.233 1.00 0.00 H new ATOM 0 HE22 GLN A 115 13.076 -10.380 -13.209 1.00 0.00 H new ATOM 1918 N PHE A 116 9.012 -11.381 -7.841 1.00 0.00 N ATOM 1919 CA PHE A 116 7.730 -12.124 -7.884 1.00 0.00 C ATOM 1920 C PHE A 116 6.834 -11.774 -6.677 1.00 0.00 C ATOM 1921 O PHE A 116 5.604 -11.715 -6.797 1.00 0.00 O ATOM 1922 CB PHE A 116 8.008 -13.651 -7.920 1.00 0.00 C ATOM 1923 CG PHE A 116 8.812 -14.105 -9.141 1.00 0.00 C ATOM 1924 CD1 PHE A 116 8.172 -14.453 -10.334 1.00 0.00 C ATOM 1925 CD2 PHE A 116 10.207 -14.175 -9.101 1.00 0.00 C ATOM 1926 CE1 PHE A 116 8.900 -14.855 -11.440 1.00 0.00 C ATOM 1927 CE2 PHE A 116 10.931 -14.577 -10.209 1.00 0.00 C ATOM 1928 CZ PHE A 116 10.277 -14.917 -11.377 1.00 0.00 C ATOM 0 H PHE A 116 9.798 -11.942 -7.514 1.00 0.00 H new ATOM 0 HA PHE A 116 7.198 -11.830 -8.789 1.00 0.00 H new ATOM 0 HB2 PHE A 116 8.547 -13.934 -7.016 1.00 0.00 H new ATOM 0 HB3 PHE A 116 7.057 -14.184 -7.904 1.00 0.00 H new ATOM 0 HD1 PHE A 116 7.095 -14.407 -10.393 1.00 0.00 H new ATOM 0 HD2 PHE A 116 10.727 -13.911 -8.192 1.00 0.00 H new ATOM 0 HE1 PHE A 116 8.390 -15.121 -12.354 1.00 0.00 H new ATOM 0 HE2 PHE A 116 12.009 -14.625 -10.161 1.00 0.00 H new ATOM 0 HZ PHE A 116 10.843 -15.231 -12.241 1.00 0.00 H new ATOM 1938 N THR A 117 7.474 -11.509 -5.529 1.00 0.00 N ATOM 1939 CA THR A 117 6.794 -11.310 -4.239 1.00 0.00 C ATOM 1940 C THR A 117 6.421 -9.820 -3.997 1.00 0.00 C ATOM 1941 O THR A 117 6.014 -9.452 -2.886 1.00 0.00 O ATOM 1942 CB THR A 117 7.704 -11.851 -3.079 1.00 0.00 C ATOM 1943 OG1 THR A 117 9.003 -11.242 -3.145 1.00 0.00 O ATOM 1944 CG2 THR A 117 7.860 -13.388 -3.121 1.00 0.00 C ATOM 0 H THR A 117 8.489 -11.426 -5.468 1.00 0.00 H new ATOM 0 HA THR A 117 5.858 -11.869 -4.260 1.00 0.00 H new ATOM 0 HB THR A 117 7.212 -11.590 -2.142 1.00 0.00 H new ATOM 0 HG1 THR A 117 9.081 -10.562 -2.444 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.498 -13.712 -2.299 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.880 -13.856 -3.026 1.00 0.00 H new ATOM 0 HG23 THR A 117 8.312 -13.682 -4.068 1.00 0.00 H new ATOM 1952 N THR A 118 6.550 -8.968 -5.044 1.00 0.00 N ATOM 1953 CA THR A 118 6.198 -7.529 -4.976 1.00 0.00 C ATOM 1954 C THR A 118 5.462 -7.077 -6.256 1.00 0.00 C ATOM 1955 O THR A 118 5.565 -7.728 -7.303 1.00 0.00 O ATOM 1956 CB THR A 118 7.460 -6.615 -4.783 1.00 0.00 C ATOM 1957 OG1 THR A 118 8.361 -6.768 -5.891 1.00 0.00 O ATOM 1958 CG2 THR A 118 8.210 -6.904 -3.477 1.00 0.00 C ATOM 0 H THR A 118 6.900 -9.259 -5.957 1.00 0.00 H new ATOM 0 HA THR A 118 5.547 -7.419 -4.109 1.00 0.00 H new ATOM 0 HB THR A 118 7.094 -5.589 -4.733 1.00 0.00 H new ATOM 0 HG1 THR A 118 8.830 -7.625 -5.815 1.00 0.00 H new ATOM 0 HG21 THR A 118 9.072 -6.242 -3.399 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.545 -6.735 -2.630 1.00 0.00 H new ATOM 0 HG23 THR A 118 8.547 -7.941 -3.473 1.00 0.00 H new ATOM 1966 N CYS A 119 4.711 -5.960 -6.144 1.00 0.00 N ATOM 1967 CA CYS A 119 4.082 -5.262 -7.287 1.00 0.00 C ATOM 1968 C CYS A 119 4.182 -3.739 -7.074 1.00 0.00 C ATOM 1969 O CYS A 119 3.979 -3.245 -5.954 1.00 0.00 O ATOM 1970 CB CYS A 119 2.599 -5.688 -7.464 1.00 0.00 C ATOM 1971 SG CYS A 119 2.373 -7.376 -8.073 1.00 0.00 S ATOM 0 H CYS A 119 4.522 -5.512 -5.247 1.00 0.00 H new ATOM 0 HA CYS A 119 4.613 -5.539 -8.198 1.00 0.00 H new ATOM 0 HB2 CYS A 119 2.089 -5.589 -6.506 1.00 0.00 H new ATOM 0 HB3 CYS A 119 2.116 -4.998 -8.155 1.00 0.00 H new ATOM 0 HG CYS A 119 3.494 -8.026 -7.975 1.00 0.00 H new ATOM 1977 N PHE A 120 4.530 -3.009 -8.151 1.00 0.00 N ATOM 1978 CA PHE A 120 4.591 -1.540 -8.146 1.00 0.00 C ATOM 1979 C PHE A 120 3.162 -0.973 -8.163 1.00 0.00 C ATOM 1980 O PHE A 120 2.451 -1.098 -9.169 1.00 0.00 O ATOM 1981 CB PHE A 120 5.385 -1.015 -9.374 1.00 0.00 C ATOM 1982 CG PHE A 120 6.836 -1.491 -9.463 1.00 0.00 C ATOM 1983 CD1 PHE A 120 7.844 -0.849 -8.742 1.00 0.00 C ATOM 1984 CD2 PHE A 120 7.198 -2.561 -10.285 1.00 0.00 C ATOM 1985 CE1 PHE A 120 9.159 -1.261 -8.837 1.00 0.00 C ATOM 1986 CE2 PHE A 120 8.516 -2.969 -10.382 1.00 0.00 C ATOM 1987 CZ PHE A 120 9.496 -2.319 -9.658 1.00 0.00 C ATOM 0 H PHE A 120 4.777 -3.425 -9.049 1.00 0.00 H new ATOM 0 HA PHE A 120 5.107 -1.212 -7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.863 -1.320 -10.281 1.00 0.00 H new ATOM 0 HB3 PHE A 120 5.378 0.075 -9.353 1.00 0.00 H new ATOM 0 HD1 PHE A 120 7.592 -0.018 -8.100 1.00 0.00 H new ATOM 0 HD2 PHE A 120 6.438 -3.077 -10.853 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.925 -0.755 -8.268 1.00 0.00 H new ATOM 0 HE2 PHE A 120 8.779 -3.796 -11.024 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.525 -2.638 -9.734 1.00 0.00 H new ATOM 1997 N VAL A 121 2.741 -0.398 -7.030 1.00 0.00 N ATOM 1998 CA VAL A 121 1.429 0.259 -6.881 1.00 0.00 C ATOM 1999 C VAL A 121 1.628 1.792 -6.832 1.00 0.00 C ATOM 2000 O VAL A 121 2.729 2.291 -7.097 1.00 0.00 O ATOM 2001 CB VAL A 121 0.686 -0.262 -5.580 1.00 0.00 C ATOM 2002 CG1 VAL A 121 0.458 -1.798 -5.636 1.00 0.00 C ATOM 2003 CG2 VAL A 121 1.438 0.155 -4.289 1.00 0.00 C ATOM 0 H VAL A 121 3.304 -0.373 -6.180 1.00 0.00 H new ATOM 0 HA VAL A 121 0.802 0.011 -7.737 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.294 0.214 -5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -0.053 -2.123 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.152 -2.044 -6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.419 -2.306 -5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.900 -0.219 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.444 -0.265 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.499 1.242 -4.239 1.00 0.00 H new ATOM 2013 N VAL A 122 0.551 2.533 -6.541 1.00 0.00 N ATOM 2014 CA VAL A 122 0.621 3.983 -6.256 1.00 0.00 C ATOM 2015 C VAL A 122 0.611 4.210 -4.725 1.00 0.00 C ATOM 2016 O VAL A 122 0.340 3.270 -3.969 1.00 0.00 O ATOM 2017 CB VAL A 122 -0.556 4.764 -6.958 1.00 0.00 C ATOM 2018 CG1 VAL A 122 -0.509 4.576 -8.498 1.00 0.00 C ATOM 2019 CG2 VAL A 122 -1.943 4.372 -6.375 1.00 0.00 C ATOM 0 H VAL A 122 -0.394 2.151 -6.495 1.00 0.00 H new ATOM 0 HA VAL A 122 1.552 4.377 -6.665 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.415 5.824 -6.748 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.331 5.125 -8.957 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.438 4.954 -8.882 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.601 3.517 -8.738 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.725 4.933 -6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.109 3.304 -6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.969 4.603 -5.310 1.00 0.00 H new ATOM 2029 N ARG A 123 0.903 5.451 -4.281 1.00 0.00 N ATOM 2030 CA ARG A 123 0.957 5.809 -2.838 1.00 0.00 C ATOM 2031 C ARG A 123 -0.349 5.454 -2.106 1.00 0.00 C ATOM 2032 O ARG A 123 -0.297 4.860 -1.038 1.00 0.00 O ATOM 2033 CB ARG A 123 1.253 7.321 -2.636 1.00 0.00 C ATOM 2034 CG ARG A 123 2.726 7.738 -2.811 1.00 0.00 C ATOM 2035 CD ARG A 123 3.632 7.287 -1.655 1.00 0.00 C ATOM 2036 NE ARG A 123 4.969 7.892 -1.761 1.00 0.00 N ATOM 2037 CZ ARG A 123 6.096 7.415 -1.212 1.00 0.00 C ATOM 2038 NH1 ARG A 123 6.114 6.247 -0.575 1.00 0.00 N ATOM 2039 NH2 ARG A 123 7.207 8.119 -1.324 1.00 0.00 N ATOM 0 H ARG A 123 1.108 6.232 -4.904 1.00 0.00 H new ATOM 0 HA ARG A 123 1.770 5.222 -2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 123 0.646 7.889 -3.341 1.00 0.00 H new ATOM 0 HB3 ARG A 123 0.929 7.606 -1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 123 3.105 7.320 -3.744 1.00 0.00 H new ATOM 0 HG3 ARG A 123 2.780 8.823 -2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 123 3.178 7.565 -0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 123 3.720 6.201 -1.661 1.00 0.00 H new ATOM 0 HE ARG A 123 5.046 8.753 -2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 123 5.260 5.695 -0.497 1.00 0.00 H new ATOM 0 HH12 ARG A 123 6.982 5.903 -0.165 1.00 0.00 H new ATOM 0 HH21 ARG A 123 7.199 9.009 -1.821 1.00 0.00 H new ATOM 0 HH22 ARG A 123 8.074 7.773 -0.913 1.00 0.00 H new ATOM 2053 N LEU A 124 -1.501 5.816 -2.705 1.00 0.00 N ATOM 2054 CA LEU A 124 -2.837 5.620 -2.081 1.00 0.00 C ATOM 2055 C LEU A 124 -3.075 4.111 -1.781 1.00 0.00 C ATOM 2056 O LEU A 124 -3.618 3.760 -0.736 1.00 0.00 O ATOM 2057 CB LEU A 124 -3.972 6.202 -2.999 1.00 0.00 C ATOM 2058 CG LEU A 124 -5.161 6.962 -2.292 1.00 0.00 C ATOM 2059 CD1 LEU A 124 -5.872 6.115 -1.236 1.00 0.00 C ATOM 2060 CD2 LEU A 124 -4.694 8.287 -1.675 1.00 0.00 C ATOM 0 H LEU A 124 -1.539 6.250 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 124 -2.864 6.164 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -3.511 6.886 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.394 5.379 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.885 7.172 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -6.679 6.695 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.284 5.221 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -5.161 5.825 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -5.538 8.783 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.921 8.090 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -4.290 8.930 -2.457 1.00 0.00 H new ATOM 2072 N GLN A 125 -2.624 3.244 -2.711 1.00 0.00 N ATOM 2073 CA GLN A 125 -2.738 1.771 -2.589 1.00 0.00 C ATOM 2074 C GLN A 125 -1.716 1.204 -1.589 1.00 0.00 C ATOM 2075 O GLN A 125 -2.015 0.235 -0.877 1.00 0.00 O ATOM 2076 CB GLN A 125 -2.527 1.108 -3.963 1.00 0.00 C ATOM 2077 CG GLN A 125 -3.647 1.368 -4.977 1.00 0.00 C ATOM 2078 CD GLN A 125 -3.340 0.785 -6.355 1.00 0.00 C ATOM 2079 OE1 GLN A 125 -2.193 0.769 -6.800 1.00 0.00 O ATOM 2080 NE2 GLN A 125 -4.349 0.274 -7.020 1.00 0.00 N ATOM 0 H GLN A 125 -2.168 3.545 -3.572 1.00 0.00 H new ATOM 0 HA GLN A 125 -3.739 1.549 -2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -1.586 1.463 -4.382 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -2.426 0.032 -3.821 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.577 0.938 -4.604 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -3.807 2.442 -5.069 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.288 0.303 -6.623 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -4.194 -0.152 -7.934 1.00 0.00 H new ATOM 2089 N PHE A 126 -0.504 1.801 -1.584 1.00 0.00 N ATOM 2090 CA PHE A 126 0.570 1.452 -0.638 1.00 0.00 C ATOM 2091 C PHE A 126 0.059 1.625 0.794 1.00 0.00 C ATOM 2092 O PHE A 126 0.150 0.715 1.601 1.00 0.00 O ATOM 2093 CB PHE A 126 1.825 2.337 -0.886 1.00 0.00 C ATOM 2094 CG PHE A 126 2.973 2.114 0.108 1.00 0.00 C ATOM 2095 CD1 PHE A 126 3.789 0.986 0.018 1.00 0.00 C ATOM 2096 CD2 PHE A 126 3.230 3.029 1.138 1.00 0.00 C ATOM 2097 CE1 PHE A 126 4.820 0.778 0.917 1.00 0.00 C ATOM 2098 CE2 PHE A 126 4.260 2.818 2.036 1.00 0.00 C ATOM 2099 CZ PHE A 126 5.055 1.692 1.927 1.00 0.00 C ATOM 0 H PHE A 126 -0.246 2.539 -2.239 1.00 0.00 H new ATOM 0 HA PHE A 126 0.860 0.412 -0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 126 2.193 2.147 -1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 126 1.527 3.385 -0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 126 3.613 0.264 -0.766 1.00 0.00 H new ATOM 0 HD2 PHE A 126 2.615 3.912 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 126 5.442 -0.100 0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 126 4.444 3.534 2.824 1.00 0.00 H new ATOM 0 HZ PHE A 126 5.858 1.527 2.630 1.00 0.00 H new ATOM 2109 N TYR A 127 -0.535 2.798 1.051 1.00 0.00 N ATOM 2110 CA TYR A 127 -1.139 3.132 2.342 1.00 0.00 C ATOM 2111 C TYR A 127 -2.275 2.139 2.657 1.00 0.00 C ATOM 2112 O TYR A 127 -2.250 1.468 3.676 1.00 0.00 O ATOM 2113 CB TYR A 127 -1.693 4.588 2.328 1.00 0.00 C ATOM 2114 CG TYR A 127 -0.671 5.689 2.004 1.00 0.00 C ATOM 2115 CD1 TYR A 127 0.640 5.630 2.480 1.00 0.00 C ATOM 2116 CD2 TYR A 127 -1.024 6.786 1.210 1.00 0.00 C ATOM 2117 CE1 TYR A 127 1.555 6.617 2.175 1.00 0.00 C ATOM 2118 CE2 TYR A 127 -0.111 7.770 0.901 1.00 0.00 C ATOM 2119 CZ TYR A 127 1.175 7.682 1.383 1.00 0.00 C ATOM 2120 OH TYR A 127 2.089 8.661 1.064 1.00 0.00 O ATOM 0 H TYR A 127 -0.609 3.546 0.361 1.00 0.00 H new ATOM 0 HA TYR A 127 -0.373 3.062 3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -2.501 4.642 1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -2.130 4.800 3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 127 0.943 4.798 3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -2.033 6.863 0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 127 2.564 6.557 2.554 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -0.403 8.607 0.283 1.00 0.00 H new ATOM 0 HH TYR A 127 1.660 9.337 0.499 1.00 0.00 H new ATOM 2130 N ALA A 128 -3.207 2.013 1.702 1.00 0.00 N ATOM 2131 CA ALA A 128 -4.462 1.248 1.852 1.00 0.00 C ATOM 2132 C ALA A 128 -4.252 -0.175 2.440 1.00 0.00 C ATOM 2133 O ALA A 128 -4.668 -0.459 3.579 1.00 0.00 O ATOM 2134 CB ALA A 128 -5.147 1.190 0.481 1.00 0.00 C ATOM 0 H ALA A 128 -3.112 2.447 0.784 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.094 1.760 2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -6.078 0.630 0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.362 2.202 0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.489 0.697 -0.234 1.00 0.00 H new ATOM 2140 N PHE A 129 -3.528 -1.026 1.694 1.00 0.00 N ATOM 2141 CA PHE A 129 -3.312 -2.437 2.075 1.00 0.00 C ATOM 2142 C PHE A 129 -2.295 -2.577 3.224 1.00 0.00 C ATOM 2143 O PHE A 129 -2.478 -3.430 4.098 1.00 0.00 O ATOM 2144 CB PHE A 129 -2.860 -3.281 0.854 1.00 0.00 C ATOM 2145 CG PHE A 129 -3.956 -3.492 -0.183 1.00 0.00 C ATOM 2146 CD1 PHE A 129 -4.951 -4.452 0.031 1.00 0.00 C ATOM 2147 CD2 PHE A 129 -4.001 -2.742 -1.360 1.00 0.00 C ATOM 2148 CE1 PHE A 129 -5.955 -4.647 -0.896 1.00 0.00 C ATOM 2149 CE2 PHE A 129 -5.008 -2.939 -2.289 1.00 0.00 C ATOM 2150 CZ PHE A 129 -5.984 -3.893 -2.056 1.00 0.00 C ATOM 0 H PHE A 129 -3.079 -0.761 0.817 1.00 0.00 H new ATOM 0 HA PHE A 129 -4.269 -2.818 2.431 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.011 -2.790 0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -2.511 -4.253 1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -4.933 -5.047 0.932 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -3.240 -1.999 -1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -6.719 -5.389 -0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -5.032 -2.350 -3.194 1.00 0.00 H new ATOM 0 HZ PHE A 129 -6.769 -4.049 -2.781 1.00 0.00 H new ATOM 2160 N GLU A 130 -1.241 -1.726 3.233 1.00 0.00 N ATOM 2161 CA GLU A 130 -0.132 -1.860 4.202 1.00 0.00 C ATOM 2162 C GLU A 130 -0.585 -1.496 5.631 1.00 0.00 C ATOM 2163 O GLU A 130 -0.320 -2.245 6.569 1.00 0.00 O ATOM 2164 CB GLU A 130 1.096 -1.005 3.795 1.00 0.00 C ATOM 2165 CG GLU A 130 2.367 -1.286 4.610 1.00 0.00 C ATOM 2166 CD GLU A 130 2.824 -2.752 4.496 1.00 0.00 C ATOM 2167 OE1 GLU A 130 3.553 -3.096 3.535 1.00 0.00 O ATOM 2168 OE2 GLU A 130 2.444 -3.578 5.366 1.00 0.00 O ATOM 0 H GLU A 130 -1.138 -0.946 2.584 1.00 0.00 H new ATOM 0 HA GLU A 130 0.168 -2.908 4.192 1.00 0.00 H new ATOM 0 HB2 GLU A 130 1.310 -1.179 2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.839 0.049 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 130 3.168 -0.631 4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 130 2.185 -1.045 5.657 1.00 0.00 H new ATOM 2175 N ILE A 131 -1.275 -0.346 5.770 1.00 0.00 N ATOM 2176 CA ILE A 131 -1.824 0.135 7.066 1.00 0.00 C ATOM 2177 C ILE A 131 -2.873 -0.849 7.596 1.00 0.00 C ATOM 2178 O ILE A 131 -2.930 -1.118 8.801 1.00 0.00 O ATOM 2179 CB ILE A 131 -2.471 1.563 6.926 1.00 0.00 C ATOM 2180 CG1 ILE A 131 -1.420 2.580 6.407 1.00 0.00 C ATOM 2181 CG2 ILE A 131 -3.109 2.065 8.254 1.00 0.00 C ATOM 2182 CD1 ILE A 131 -2.003 3.859 5.862 1.00 0.00 C ATOM 0 H ILE A 131 -1.471 0.280 4.989 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.993 0.201 7.769 1.00 0.00 H new ATOM 0 HB ILE A 131 -3.280 1.479 6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -0.737 2.825 7.221 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -0.827 2.104 5.626 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.540 3.054 8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -3.891 1.373 8.566 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.343 2.120 9.028 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -1.198 4.510 5.522 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -2.663 3.630 5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -2.571 4.362 6.644 1.00 0.00 H new ATOM 2194 N ALA A 132 -3.699 -1.383 6.671 1.00 0.00 N ATOM 2195 CA ALA A 132 -4.699 -2.409 7.000 1.00 0.00 C ATOM 2196 C ALA A 132 -4.049 -3.631 7.674 1.00 0.00 C ATOM 2197 O ALA A 132 -4.356 -3.955 8.829 1.00 0.00 O ATOM 2198 CB ALA A 132 -5.461 -2.821 5.741 1.00 0.00 C ATOM 0 H ALA A 132 -3.689 -1.115 5.687 1.00 0.00 H new ATOM 0 HA ALA A 132 -5.405 -1.982 7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -6.199 -3.581 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -5.966 -1.951 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -4.762 -3.225 5.008 1.00 0.00 H new ATOM 2204 N ARG A 133 -3.090 -4.251 6.968 1.00 0.00 N ATOM 2205 CA ARG A 133 -2.416 -5.471 7.442 1.00 0.00 C ATOM 2206 C ARG A 133 -1.426 -5.167 8.586 1.00 0.00 C ATOM 2207 O ARG A 133 -1.032 -6.073 9.307 1.00 0.00 O ATOM 2208 CB ARG A 133 -1.746 -6.233 6.265 1.00 0.00 C ATOM 2209 CG ARG A 133 -0.573 -5.521 5.569 1.00 0.00 C ATOM 2210 CD ARG A 133 -0.070 -6.313 4.345 1.00 0.00 C ATOM 2211 NE ARG A 133 0.977 -5.597 3.605 1.00 0.00 N ATOM 2212 CZ ARG A 133 1.352 -5.852 2.346 1.00 0.00 C ATOM 2213 NH1 ARG A 133 0.786 -6.817 1.621 1.00 0.00 N ATOM 2214 NH2 ARG A 133 2.304 -5.124 1.817 1.00 0.00 N ATOM 0 H ARG A 133 -2.762 -3.924 6.059 1.00 0.00 H new ATOM 0 HA ARG A 133 -3.175 -6.132 7.859 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -1.390 -7.193 6.638 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -2.510 -6.445 5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -0.887 -4.526 5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 133 0.244 -5.389 6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.317 -7.278 4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.908 -6.516 3.678 1.00 0.00 H new ATOM 0 HE ARG A 133 1.459 -4.841 4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.043 -7.388 2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.096 -6.984 0.664 1.00 0.00 H new ATOM 0 HH21 ARG A 133 2.742 -4.382 2.363 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.607 -5.299 0.859 1.00 0.00 H new ATOM 2228 N ASN A 134 -1.032 -3.887 8.746 1.00 0.00 N ATOM 2229 CA ASN A 134 -0.214 -3.430 9.897 1.00 0.00 C ATOM 2230 C ASN A 134 -1.059 -3.494 11.177 1.00 0.00 C ATOM 2231 O ASN A 134 -0.606 -3.972 12.222 1.00 0.00 O ATOM 2232 CB ASN A 134 0.304 -1.978 9.659 1.00 0.00 C ATOM 2233 CG ASN A 134 1.307 -1.476 10.714 1.00 0.00 C ATOM 2234 OD1 ASN A 134 2.067 -2.259 11.292 1.00 0.00 O ATOM 2235 ND2 ASN A 134 1.330 -0.164 10.955 1.00 0.00 N ATOM 0 H ASN A 134 -1.268 -3.143 8.089 1.00 0.00 H new ATOM 0 HA ASN A 134 0.652 -4.084 10.003 1.00 0.00 H new ATOM 0 HB2 ASN A 134 0.775 -1.930 8.677 1.00 0.00 H new ATOM 0 HB3 ASN A 134 -0.550 -1.301 9.636 1.00 0.00 H new ATOM 0 HD21 ASN A 134 1.989 0.218 11.633 1.00 0.00 H new ATOM 0 HD22 ASN A 134 0.689 0.457 10.461 1.00 0.00 H new ATOM 2242 N LYS A 135 -2.319 -3.033 11.052 1.00 0.00 N ATOM 2243 CA LYS A 135 -3.293 -3.000 12.162 1.00 0.00 C ATOM 2244 C LYS A 135 -3.963 -4.375 12.383 1.00 0.00 C ATOM 2245 O LYS A 135 -4.662 -4.570 13.378 1.00 0.00 O ATOM 2246 CB LYS A 135 -4.345 -1.887 11.901 1.00 0.00 C ATOM 2247 CG LYS A 135 -3.731 -0.468 11.819 1.00 0.00 C ATOM 2248 CD LYS A 135 -4.763 0.643 11.524 1.00 0.00 C ATOM 2249 CE LYS A 135 -5.838 0.779 12.621 1.00 0.00 C ATOM 2250 NZ LYS A 135 -6.619 2.028 12.467 1.00 0.00 N ATOM 0 H LYS A 135 -2.692 -2.671 10.174 1.00 0.00 H new ATOM 0 HA LYS A 135 -2.758 -2.768 13.083 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -4.868 -2.103 10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -5.090 -1.907 12.697 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -3.230 -0.244 12.761 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -2.967 -0.457 11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -4.242 1.594 11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -5.250 0.435 10.571 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.510 -0.078 12.581 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -5.362 0.765 13.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -7.250 2.146 13.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -5.970 2.839 12.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -7.186 1.978 11.597 1.00 0.00 H new ATOM 2264 N HIS A 136 -3.762 -5.316 11.439 1.00 0.00 N ATOM 2265 CA HIS A 136 -4.184 -6.727 11.594 1.00 0.00 C ATOM 2266 C HIS A 136 -2.960 -7.645 11.874 1.00 0.00 C ATOM 2267 O HIS A 136 -3.131 -8.850 12.086 1.00 0.00 O ATOM 2268 CB HIS A 136 -4.977 -7.200 10.341 1.00 0.00 C ATOM 2269 CG HIS A 136 -6.375 -6.638 10.226 1.00 0.00 C ATOM 2270 ND1 HIS A 136 -6.681 -5.466 9.561 1.00 0.00 N ATOM 2271 CD2 HIS A 136 -7.551 -7.099 10.708 1.00 0.00 C ATOM 2272 CE1 HIS A 136 -7.978 -5.235 9.646 1.00 0.00 C ATOM 2273 NE2 HIS A 136 -8.526 -6.212 10.333 1.00 0.00 N ATOM 0 H HIS A 136 -3.304 -5.122 10.549 1.00 0.00 H new ATOM 0 HA HIS A 136 -4.848 -6.796 12.456 1.00 0.00 H new ATOM 0 HB2 HIS A 136 -4.416 -6.925 9.448 1.00 0.00 H new ATOM 0 HB3 HIS A 136 -5.038 -8.288 10.357 1.00 0.00 H new ATOM 0 HD1 HIS A 136 -6.008 -4.871 9.078 1.00 0.00 H new ATOM 0 HD2 HIS A 136 -7.696 -8.001 11.283 1.00 0.00 H new ATOM 0 HE1 HIS A 136 -8.499 -4.389 9.224 1.00 0.00 H new ATOM 2282 N GLY A 137 -1.736 -7.059 11.872 1.00 0.00 N ATOM 2283 CA GLY A 137 -0.499 -7.778 12.241 1.00 0.00 C ATOM 2284 C GLY A 137 -0.075 -8.841 11.219 1.00 0.00 C ATOM 2285 O GLY A 137 -0.132 -10.042 11.501 1.00 0.00 O ATOM 0 H GLY A 137 -1.584 -6.083 11.616 1.00 0.00 H new ATOM 0 HA2 GLY A 137 0.309 -7.056 12.358 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -0.642 -8.255 13.210 1.00 0.00 H new ATOM 2289 N LEU A 138 0.335 -8.391 10.018 1.00 0.00 N ATOM 2290 CA LEU A 138 0.806 -9.275 8.915 1.00 0.00 C ATOM 2291 C LEU A 138 2.239 -8.883 8.471 1.00 0.00 C ATOM 2292 O LEU A 138 2.777 -9.425 7.493 1.00 0.00 O ATOM 2293 CB LEU A 138 -0.174 -9.221 7.699 1.00 0.00 C ATOM 2294 CG LEU A 138 -1.551 -9.968 7.816 1.00 0.00 C ATOM 2295 CD1 LEU A 138 -1.392 -11.407 8.337 1.00 0.00 C ATOM 2296 CD2 LEU A 138 -2.583 -9.174 8.630 1.00 0.00 C ATOM 0 H LEU A 138 0.352 -7.400 9.776 1.00 0.00 H new ATOM 0 HA LEU A 138 0.828 -10.298 9.291 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -0.382 -8.172 7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 138 0.350 -9.624 6.832 1.00 0.00 H new ATOM 0 HG LEU A 138 -1.944 -10.041 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -2.371 -11.881 8.400 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -0.758 -11.973 7.655 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -0.934 -11.387 9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -3.516 -9.735 8.680 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.203 -9.011 9.639 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -2.763 -8.212 8.150 1.00 0.00 H new ATOM 2308 N ASN A 139 2.844 -7.941 9.204 1.00 0.00 N ATOM 2309 CA ASN A 139 4.228 -7.472 8.978 1.00 0.00 C ATOM 2310 C ASN A 139 5.022 -7.486 10.301 1.00 0.00 C ATOM 2311 O ASN A 139 6.152 -6.990 10.375 1.00 0.00 O ATOM 2312 CB ASN A 139 4.208 -6.059 8.337 1.00 0.00 C ATOM 2313 CG ASN A 139 3.329 -5.034 9.069 1.00 0.00 C ATOM 2314 OD1 ASN A 139 3.111 -5.108 10.284 1.00 0.00 O ATOM 2315 ND2 ASN A 139 2.810 -4.074 8.324 1.00 0.00 N ATOM 0 H ASN A 139 2.384 -7.472 9.984 1.00 0.00 H new ATOM 0 HA ASN A 139 4.731 -8.148 8.287 1.00 0.00 H new ATOM 0 HB2 ASN A 139 5.229 -5.679 8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 139 3.860 -6.147 7.308 1.00 0.00 H new ATOM 0 HD21 ASN A 139 2.210 -3.367 8.749 1.00 0.00 H new ATOM 0 HD22 ASN A 139 3.009 -4.040 7.324 1.00 0.00 H new ATOM 2322 N ASP A 140 4.409 -8.094 11.332 1.00 0.00 N ATOM 2323 CA ASP A 140 4.987 -8.224 12.685 1.00 0.00 C ATOM 2324 C ASP A 140 6.189 -9.195 12.673 1.00 0.00 C ATOM 2325 O ASP A 140 7.100 -9.079 13.492 1.00 0.00 O ATOM 2326 CB ASP A 140 3.878 -8.718 13.663 1.00 0.00 C ATOM 2327 CG ASP A 140 4.341 -8.903 15.126 1.00 0.00 C ATOM 2328 OD1 ASP A 140 4.320 -7.923 15.897 1.00 0.00 O ATOM 2329 OD2 ASP A 140 4.714 -10.033 15.510 1.00 0.00 O ATOM 0 H ASP A 140 3.484 -8.516 11.249 1.00 0.00 H new ATOM 0 HA ASP A 140 5.354 -7.254 13.020 1.00 0.00 H new ATOM 0 HB2 ASP A 140 3.053 -8.006 13.645 1.00 0.00 H new ATOM 0 HB3 ASP A 140 3.487 -9.668 13.297 1.00 0.00 H new ATOM 2334 N TRP A 141 6.182 -10.147 11.721 1.00 0.00 N ATOM 2335 CA TRP A 141 7.289 -11.109 11.540 1.00 0.00 C ATOM 2336 C TRP A 141 8.591 -10.418 11.066 1.00 0.00 C ATOM 2337 O TRP A 141 9.693 -10.938 11.291 1.00 0.00 O ATOM 2338 CB TRP A 141 6.873 -12.247 10.567 1.00 0.00 C ATOM 2339 CG TRP A 141 6.566 -11.788 9.159 1.00 0.00 C ATOM 2340 CD1 TRP A 141 5.376 -11.310 8.683 1.00 0.00 C ATOM 2341 CD2 TRP A 141 7.476 -11.764 8.051 1.00 0.00 C ATOM 2342 NE1 TRP A 141 5.496 -10.982 7.362 1.00 0.00 N ATOM 2343 CE2 TRP A 141 6.773 -11.257 6.949 1.00 0.00 C ATOM 2344 CE3 TRP A 141 8.821 -12.119 7.887 1.00 0.00 C ATOM 2345 CZ2 TRP A 141 7.366 -11.092 5.699 1.00 0.00 C ATOM 2346 CZ3 TRP A 141 9.406 -11.957 6.648 1.00 0.00 C ATOM 2347 CH2 TRP A 141 8.676 -11.448 5.566 1.00 0.00 C ATOM 0 H TRP A 141 5.416 -10.272 11.060 1.00 0.00 H new ATOM 0 HA TRP A 141 7.501 -11.548 12.515 1.00 0.00 H new ATOM 0 HB2 TRP A 141 7.674 -12.985 10.528 1.00 0.00 H new ATOM 0 HB3 TRP A 141 5.995 -12.750 10.971 1.00 0.00 H new ATOM 0 HD1 TRP A 141 4.473 -11.207 9.266 1.00 0.00 H new ATOM 0 HE1 TRP A 141 4.755 -10.595 6.778 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.390 -12.513 8.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 6.807 -10.696 4.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 10.443 -12.227 6.510 1.00 0.00 H new ATOM 0 HH2 TRP A 141 9.160 -11.335 4.607 1.00 0.00 H new ATOM 2358 N ILE A 142 8.449 -9.250 10.413 1.00 0.00 N ATOM 2359 CA ILE A 142 9.590 -8.467 9.898 1.00 0.00 C ATOM 2360 C ILE A 142 10.290 -7.711 11.042 1.00 0.00 C ATOM 2361 O ILE A 142 11.512 -7.546 11.022 1.00 0.00 O ATOM 2362 CB ILE A 142 9.130 -7.443 8.792 1.00 0.00 C ATOM 2363 CG1 ILE A 142 8.285 -8.165 7.703 1.00 0.00 C ATOM 2364 CG2 ILE A 142 10.337 -6.697 8.152 1.00 0.00 C ATOM 2365 CD1 ILE A 142 7.603 -7.256 6.697 1.00 0.00 C ATOM 0 H ILE A 142 7.542 -8.822 10.227 1.00 0.00 H new ATOM 0 HA ILE A 142 10.292 -9.170 9.449 1.00 0.00 H new ATOM 0 HB ILE A 142 8.508 -6.691 9.277 1.00 0.00 H new ATOM 0 HG12 ILE A 142 8.933 -8.855 7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 142 7.523 -8.766 8.199 1.00 0.00 H new ATOM 0 HG21 ILE A 142 9.975 -6.001 7.395 1.00 0.00 H new ATOM 0 HG22 ILE A 142 10.875 -6.146 8.924 1.00 0.00 H new ATOM 0 HG23 ILE A 142 11.008 -7.421 7.688 1.00 0.00 H new ATOM 0 HD11 ILE A 142 7.041 -7.859 5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 142 6.922 -6.583 7.218 1.00 0.00 H new ATOM 0 HD13 ILE A 142 8.355 -6.672 6.166 1.00 0.00 H new ATOM 2377 N VAL A 143 9.515 -7.286 12.065 1.00 0.00 N ATOM 2378 CA VAL A 143 10.059 -6.449 13.160 1.00 0.00 C ATOM 2379 C VAL A 143 11.074 -7.238 14.019 1.00 0.00 C ATOM 2380 O VAL A 143 11.990 -6.651 14.606 1.00 0.00 O ATOM 2381 CB VAL A 143 8.942 -5.784 14.066 1.00 0.00 C ATOM 2382 CG1 VAL A 143 7.804 -5.182 13.198 1.00 0.00 C ATOM 2383 CG2 VAL A 143 8.398 -6.747 15.153 1.00 0.00 C ATOM 0 H VAL A 143 8.523 -7.505 12.156 1.00 0.00 H new ATOM 0 HA VAL A 143 10.581 -5.626 12.672 1.00 0.00 H new ATOM 0 HB VAL A 143 9.417 -4.965 14.605 1.00 0.00 H new ATOM 0 HG11 VAL A 143 7.051 -4.732 13.846 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.215 -4.420 12.536 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.345 -5.971 12.602 1.00 0.00 H new ATOM 0 HG21 VAL A 143 7.636 -6.237 15.743 1.00 0.00 H new ATOM 0 HG22 VAL A 143 7.961 -7.624 14.676 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.214 -7.058 15.805 1.00 0.00 H new ATOM 2393 N GLY A 144 10.910 -8.578 14.056 1.00 0.00 N ATOM 2394 CA GLY A 144 11.825 -9.474 14.767 1.00 0.00 C ATOM 2395 C GLY A 144 12.556 -10.432 13.825 1.00 0.00 C ATOM 2396 O GLY A 144 12.944 -11.535 14.231 1.00 0.00 O ATOM 0 H GLY A 144 10.140 -9.060 13.593 1.00 0.00 H new ATOM 0 HA2 GLY A 144 12.556 -8.881 15.316 1.00 0.00 H new ATOM 0 HA3 GLY A 144 11.265 -10.050 15.503 1.00 0.00 H new ATOM 2400 N GLN A 145 12.735 -10.012 12.551 1.00 0.00 N ATOM 2401 CA GLN A 145 13.416 -10.804 11.526 1.00 0.00 C ATOM 2402 C GLN A 145 14.921 -10.892 11.828 1.00 0.00 C ATOM 2403 O GLN A 145 15.525 -11.968 11.748 1.00 0.00 O ATOM 2404 CB GLN A 145 13.162 -10.164 10.132 1.00 0.00 C ATOM 2405 CG GLN A 145 13.816 -10.898 8.948 1.00 0.00 C ATOM 2406 CD GLN A 145 13.058 -12.134 8.404 1.00 0.00 C ATOM 2407 OE1 GLN A 145 12.270 -12.830 9.225 1.00 0.00 O flip ATOM 2408 NE2 GLN A 145 13.177 -12.460 7.222 1.00 0.00 N flip ATOM 0 H GLN A 145 12.405 -9.108 12.214 1.00 0.00 H new ATOM 0 HA GLN A 145 13.019 -11.819 11.526 1.00 0.00 H new ATOM 0 HB2 GLN A 145 12.086 -10.118 9.961 1.00 0.00 H new ATOM 0 HB3 GLN A 145 13.527 -9.137 10.149 1.00 0.00 H new ATOM 0 HG2 GLN A 145 13.941 -10.187 8.132 1.00 0.00 H new ATOM 0 HG3 GLN A 145 14.814 -11.215 9.251 1.00 0.00 H new ATOM 0 HE21 GLN A 145 13.782 -11.921 6.603 1.00 0.00 H new ATOM 0 HE22 GLN A 145 12.670 -13.269 6.863 1.00 0.00 H new ATOM 2417 N LYS A 146 15.501 -9.732 12.175 1.00 0.00 N ATOM 2418 CA LYS A 146 16.907 -9.598 12.581 1.00 0.00 C ATOM 2419 C LYS A 146 17.083 -8.277 13.374 1.00 0.00 C ATOM 2420 O LYS A 146 17.594 -8.312 14.514 1.00 0.00 O ATOM 2421 CB LYS A 146 17.876 -9.692 11.356 1.00 0.00 C ATOM 2422 CG LYS A 146 17.613 -8.686 10.204 1.00 0.00 C ATOM 2423 CD LYS A 146 18.657 -8.783 9.060 1.00 0.00 C ATOM 2424 CE LYS A 146 20.103 -8.511 9.530 1.00 0.00 C ATOM 2425 NZ LYS A 146 21.086 -8.640 8.424 1.00 0.00 N ATOM 2426 OXT LYS A 146 16.620 -7.218 12.897 1.00 0.00 O ATOM 0 H LYS A 146 14.996 -8.846 12.181 1.00 0.00 H new ATOM 0 HA LYS A 146 17.173 -10.431 13.232 1.00 0.00 H new ATOM 0 HB2 LYS A 146 18.896 -9.548 11.712 1.00 0.00 H new ATOM 0 HB3 LYS A 146 17.820 -10.702 10.950 1.00 0.00 H new ATOM 0 HG2 LYS A 146 16.618 -8.863 9.796 1.00 0.00 H new ATOM 0 HG3 LYS A 146 17.617 -7.673 10.606 1.00 0.00 H new ATOM 0 HD2 LYS A 146 18.607 -9.777 8.615 1.00 0.00 H new ATOM 0 HD3 LYS A 146 18.396 -8.070 8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 146 20.163 -7.508 9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 146 20.362 -9.208 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 22.042 -8.449 8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 21.048 -9.605 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 20.857 -7.957 7.674 1.00 0.00 H new