USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 832 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 91 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 94 THR OG1 : rot 146:sc= 1.26 USER MOD Set 2.1: A 25 SER OG : rot 180:sc= -0.334 USER MOD Set 2.2: A 28 GLN : amide:sc= -0.417 K(o=-0.75,f=-2.8) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.339 F(o=-1.3,f=-0.34) USER MOD Single : A 52 GLN : amide:sc= -0.589 K(o=-0.59,f=-3.3!) USER MOD Single : A 53 CYS SG : rot -120:sc= 0.205 USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 56 MET CE :methyl 143:sc= -3.34! (180deg=-6.2!) USER MOD Single : A 57 ASN : amide:sc= -7.27! C(o=-7.3!,f=-12!) USER MOD Single : A 60 MET CE :methyl -178:sc= -0.224 (180deg=-0.235) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.298 K(o=0.3,f=-8.3!) USER MOD Single : A 71 SER OG : rot 120:sc= -0.674 USER MOD Single : A 74 LYS NZ :NH3+ 168:sc= -0.111 (180deg=-0.294) USER MOD Single : A 84 SER OG : rot 80:sc= -0.0308 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 137:sc= 0.339 USER MOD Single : A 90 SER OG : rot -53:sc= 0.756 USER MOD Single : A 99 LYS NZ :NH3+ 162:sc= -0.0301 (180deg=-0.256) USER MOD Single : A 100 ASN : amide:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 101 SER OG : rot 34:sc= 0.487 USER MOD Single : A 102 GLN : amide:sc= -0.0388 K(o=-0.039,f=-1.7!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.043) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -117:sc= -0.661 (180deg=-1.91) USER MOD Single : A 120 GLN : amide:sc= -3.27! C(o=-3.3!,f=-3.3!) USER MOD Single : A 122 HIS : no HE2:sc= -0.925 K(o=-0.92,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 201 N VAL A 20 -1.338 2.732 -9.283 1.00 0.00 N ATOM 202 CA VAL A 20 -2.609 2.696 -8.570 1.00 0.00 C ATOM 203 C VAL A 20 -3.783 2.850 -9.530 1.00 0.00 C ATOM 204 O VAL A 20 -3.798 3.752 -10.368 1.00 0.00 O ATOM 205 CB VAL A 20 -2.685 3.803 -7.502 1.00 0.00 C ATOM 206 CG1 VAL A 20 -4.032 3.773 -6.796 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.547 3.659 -6.503 1.00 0.00 C ATOM 0 HA VAL A 20 -2.669 1.724 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.583 4.769 -7.997 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.067 4.562 -6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.828 3.929 -7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.168 2.806 -6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.617 4.450 -5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.615 2.688 -6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.593 3.736 -7.025 1.00 0.00 H new ATOM 217 N GLU A 21 -4.765 1.964 -9.403 1.00 0.00 N ATOM 218 CA GLU A 21 -5.944 2.002 -10.261 1.00 0.00 C ATOM 219 C GLU A 21 -6.896 3.113 -9.827 1.00 0.00 C ATOM 220 O GLU A 21 -6.861 3.563 -8.683 1.00 0.00 O ATOM 221 CB GLU A 21 -6.667 0.654 -10.231 1.00 0.00 C ATOM 222 CG GLU A 21 -6.154 -0.335 -11.264 1.00 0.00 C ATOM 223 CD GLU A 21 -6.542 0.047 -12.680 1.00 0.00 C ATOM 224 OE1 GLU A 21 -6.004 1.049 -13.193 1.00 0.00 O ATOM 225 OE2 GLU A 21 -7.385 -0.659 -13.274 1.00 0.00 O ATOM 0 H GLU A 21 -4.768 1.211 -8.715 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.615 2.207 -11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.562 0.217 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.732 0.819 -10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.068 -0.398 -11.193 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.546 -1.327 -11.039 1.00 0.00 H new ATOM 232 N GLU A 22 -7.746 3.549 -10.752 1.00 0.00 N ATOM 233 CA GLU A 22 -8.707 4.608 -10.465 1.00 0.00 C ATOM 234 C GLU A 22 -10.133 4.065 -10.470 1.00 0.00 C ATOM 235 O GLU A 22 -10.627 3.595 -11.496 1.00 0.00 O ATOM 236 CB GLU A 22 -8.576 5.737 -11.490 1.00 0.00 C ATOM 237 CG GLU A 22 -7.192 6.361 -11.535 1.00 0.00 C ATOM 238 CD GLU A 22 -6.875 6.982 -12.882 1.00 0.00 C ATOM 239 OE1 GLU A 22 -7.311 6.422 -13.910 1.00 0.00 O ATOM 240 OE2 GLU A 22 -6.192 8.027 -12.908 1.00 0.00 O ATOM 0 H GLU A 22 -7.789 3.186 -11.704 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.490 5.001 -9.472 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.823 5.349 -12.478 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.307 6.512 -11.260 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.116 7.124 -10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.447 5.599 -11.306 1.00 0.00 H new ATOM 247 N VAL A 23 -10.790 4.132 -9.317 1.00 0.00 N ATOM 248 CA VAL A 23 -12.159 3.647 -9.187 1.00 0.00 C ATOM 249 C VAL A 23 -13.141 4.806 -9.055 1.00 0.00 C ATOM 250 O VAL A 23 -13.200 5.469 -8.021 1.00 0.00 O ATOM 251 CB VAL A 23 -12.312 2.717 -7.969 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.754 2.253 -7.829 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.370 1.529 -8.084 1.00 0.00 C ATOM 0 H VAL A 23 -10.396 4.518 -8.459 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.384 3.085 -10.093 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.047 3.276 -7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.843 1.597 -6.963 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.403 3.118 -7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.051 1.711 -8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.492 0.883 -7.215 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.601 0.967 -8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.341 1.884 -8.131 1.00 0.00 H new ATOM 263 N GLY A 24 -13.914 5.043 -10.111 1.00 0.00 N ATOM 264 CA GLY A 24 -14.884 6.122 -10.093 1.00 0.00 C ATOM 265 C GLY A 24 -16.313 5.616 -10.128 1.00 0.00 C ATOM 266 O GLY A 24 -17.176 6.217 -10.768 1.00 0.00 O ATOM 0 H GLY A 24 -13.885 4.507 -10.978 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.737 6.724 -9.197 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.712 6.776 -10.948 1.00 0.00 H new ATOM 270 N SER A 25 -16.564 4.507 -9.439 1.00 0.00 N ATOM 271 CA SER A 25 -17.897 3.918 -9.398 1.00 0.00 C ATOM 272 C SER A 25 -17.947 2.754 -8.414 1.00 0.00 C ATOM 273 O SER A 25 -16.927 2.129 -8.123 1.00 0.00 O ATOM 274 CB SER A 25 -18.309 3.440 -10.792 1.00 0.00 C ATOM 275 OG SER A 25 -17.299 2.635 -11.374 1.00 0.00 O ATOM 0 H SER A 25 -15.862 3.999 -8.902 1.00 0.00 H new ATOM 0 HA SER A 25 -18.596 4.684 -9.063 1.00 0.00 H new ATOM 0 HB2 SER A 25 -19.237 2.873 -10.726 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.506 4.300 -11.431 1.00 0.00 H new ATOM 0 HG SER A 25 -17.587 2.341 -12.263 1.00 0.00 H new ATOM 281 N ALA A 26 -19.140 2.468 -7.904 1.00 0.00 N ATOM 282 CA ALA A 26 -19.325 1.378 -6.954 1.00 0.00 C ATOM 283 C ALA A 26 -19.152 0.024 -7.632 1.00 0.00 C ATOM 284 O ALA A 26 -18.550 -0.891 -7.070 1.00 0.00 O ATOM 285 CB ALA A 26 -20.696 1.473 -6.302 1.00 0.00 C ATOM 0 H ALA A 26 -19.994 2.977 -8.133 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.561 1.468 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.820 0.653 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.783 2.423 -5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.468 1.411 -7.069 1.00 0.00 H new ATOM 291 N GLY A 27 -19.685 -0.099 -8.844 1.00 0.00 N ATOM 292 CA GLY A 27 -19.579 -1.346 -9.578 1.00 0.00 C ATOM 293 C GLY A 27 -18.140 -1.758 -9.818 1.00 0.00 C ATOM 294 O GLY A 27 -17.796 -2.932 -9.692 1.00 0.00 O ATOM 0 H GLY A 27 -20.188 0.643 -9.330 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.092 -2.134 -9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.089 -1.244 -10.536 1.00 0.00 H new ATOM 298 N GLN A 28 -17.300 -0.789 -10.166 1.00 0.00 N ATOM 299 CA GLN A 28 -15.890 -1.059 -10.427 1.00 0.00 C ATOM 300 C GLN A 28 -15.207 -1.627 -9.187 1.00 0.00 C ATOM 301 O GLN A 28 -14.584 -2.688 -9.241 1.00 0.00 O ATOM 302 CB GLN A 28 -15.179 0.220 -10.875 1.00 0.00 C ATOM 303 CG GLN A 28 -13.852 -0.035 -11.570 1.00 0.00 C ATOM 304 CD GLN A 28 -13.154 1.247 -11.983 1.00 0.00 C ATOM 305 OE1 GLN A 28 -13.717 2.336 -11.873 1.00 0.00 O ATOM 306 NE2 GLN A 28 -11.921 1.122 -12.460 1.00 0.00 N ATOM 0 H GLN A 28 -17.570 0.189 -10.274 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.828 -1.799 -11.225 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.833 0.772 -11.550 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.008 0.855 -10.006 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.200 -0.601 -10.904 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.021 -0.653 -12.452 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.494 0.199 -12.533 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.401 1.949 -12.753 1.00 0.00 H new ATOM 315 N PHE A 29 -15.327 -0.914 -8.072 1.00 0.00 N ATOM 316 CA PHE A 29 -14.719 -1.347 -6.819 1.00 0.00 C ATOM 317 C PHE A 29 -15.288 -2.692 -6.375 1.00 0.00 C ATOM 318 O PHE A 29 -14.563 -3.681 -6.275 1.00 0.00 O ATOM 319 CB PHE A 29 -14.947 -0.299 -5.728 1.00 0.00 C ATOM 320 CG PHE A 29 -14.762 -0.832 -4.336 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.589 -1.474 -3.976 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.763 -0.691 -3.388 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.415 -1.966 -2.696 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.595 -1.180 -2.106 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.420 -1.819 -1.760 1.00 0.00 C ATOM 0 H PHE A 29 -15.839 -0.034 -8.010 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.648 -1.462 -6.984 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.259 0.532 -5.884 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.957 0.100 -5.824 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.800 -1.592 -4.704 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.684 -0.194 -3.654 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.495 -2.464 -2.428 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.382 -1.063 -1.375 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.288 -2.203 -0.759 1.00 0.00 H new ATOM 335 N GLU A 30 -16.590 -2.718 -6.109 1.00 0.00 N ATOM 336 CA GLU A 30 -17.256 -3.940 -5.674 1.00 0.00 C ATOM 337 C GLU A 30 -16.866 -5.118 -6.563 1.00 0.00 C ATOM 338 O GLU A 30 -16.665 -6.232 -6.081 1.00 0.00 O ATOM 339 CB GLU A 30 -18.774 -3.754 -5.691 1.00 0.00 C ATOM 340 CG GLU A 30 -19.273 -2.727 -4.688 1.00 0.00 C ATOM 341 CD GLU A 30 -20.676 -3.027 -4.195 1.00 0.00 C ATOM 342 OE1 GLU A 30 -21.086 -4.206 -4.255 1.00 0.00 O ATOM 343 OE2 GLU A 30 -21.363 -2.085 -3.750 1.00 0.00 O ATOM 0 H GLU A 30 -17.204 -1.907 -6.187 1.00 0.00 H new ATOM 0 HA GLU A 30 -16.936 -4.155 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.083 -3.452 -6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.251 -4.712 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.592 -2.695 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.257 -1.739 -5.147 1.00 0.00 H new ATOM 350 N GLU A 31 -16.763 -4.861 -7.863 1.00 0.00 N ATOM 351 CA GLU A 31 -16.399 -5.900 -8.819 1.00 0.00 C ATOM 352 C GLU A 31 -14.989 -6.418 -8.550 1.00 0.00 C ATOM 353 O GLU A 31 -14.776 -7.622 -8.396 1.00 0.00 O ATOM 354 CB GLU A 31 -16.492 -5.364 -10.249 1.00 0.00 C ATOM 355 CG GLU A 31 -15.973 -6.333 -11.298 1.00 0.00 C ATOM 356 CD GLU A 31 -16.331 -5.911 -12.710 1.00 0.00 C ATOM 357 OE1 GLU A 31 -17.467 -5.435 -12.916 1.00 0.00 O ATOM 358 OE2 GLU A 31 -15.476 -6.058 -13.608 1.00 0.00 O ATOM 0 H GLU A 31 -16.926 -3.944 -8.278 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.100 -6.726 -8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.532 -5.124 -10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.929 -4.433 -10.316 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.889 -6.412 -11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.381 -7.325 -11.105 1.00 0.00 H new ATOM 365 N LEU A 32 -14.029 -5.502 -8.495 1.00 0.00 N ATOM 366 CA LEU A 32 -12.638 -5.864 -8.245 1.00 0.00 C ATOM 367 C LEU A 32 -12.525 -6.783 -7.032 1.00 0.00 C ATOM 368 O LEU A 32 -11.915 -7.851 -7.104 1.00 0.00 O ATOM 369 CB LEU A 32 -11.794 -4.607 -8.027 1.00 0.00 C ATOM 370 CG LEU A 32 -10.296 -4.749 -8.300 1.00 0.00 C ATOM 371 CD1 LEU A 32 -10.007 -4.588 -9.784 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.508 -3.732 -7.487 1.00 0.00 C ATOM 0 H LEU A 32 -14.188 -4.502 -8.620 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.264 -6.398 -9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.186 -3.815 -8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.926 -4.279 -6.996 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.983 -5.748 -7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.936 -4.692 -9.960 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.543 -5.354 -10.344 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.335 -3.602 -10.114 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.444 -3.847 -7.693 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.824 -2.725 -7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.691 -3.895 -6.425 1.00 0.00 H new ATOM 384 N LEU A 33 -13.117 -6.363 -5.920 1.00 0.00 N ATOM 385 CA LEU A 33 -13.085 -7.149 -4.692 1.00 0.00 C ATOM 386 C LEU A 33 -13.117 -8.643 -5.000 1.00 0.00 C ATOM 387 O LEU A 33 -12.424 -9.434 -4.361 1.00 0.00 O ATOM 388 CB LEU A 33 -14.266 -6.777 -3.794 1.00 0.00 C ATOM 389 CG LEU A 33 -14.020 -5.642 -2.798 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.333 -5.167 -2.196 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.061 -6.090 -1.705 1.00 0.00 C ATOM 0 H LEU A 33 -13.625 -5.482 -5.843 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.155 -6.924 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.107 -6.500 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.566 -7.664 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.566 -4.807 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.139 -4.360 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -15.987 -4.806 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -15.816 -5.995 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.898 -5.270 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.487 -6.941 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.110 -6.381 -2.152 1.00 0.00 H new ATOM 403 N ARG A 34 -13.925 -9.021 -5.986 1.00 0.00 N ATOM 404 CA ARG A 34 -14.047 -10.419 -6.380 1.00 0.00 C ATOM 405 C ARG A 34 -12.778 -10.900 -7.078 1.00 0.00 C ATOM 406 O ARG A 34 -12.113 -11.826 -6.611 1.00 0.00 O ATOM 407 CB ARG A 34 -15.252 -10.608 -7.303 1.00 0.00 C ATOM 408 CG ARG A 34 -16.567 -10.785 -6.560 1.00 0.00 C ATOM 409 CD ARG A 34 -17.733 -10.948 -7.522 1.00 0.00 C ATOM 410 NE ARG A 34 -19.021 -10.864 -6.840 1.00 0.00 N ATOM 411 CZ ARG A 34 -20.150 -11.357 -7.338 1.00 0.00 C ATOM 412 NH1 ARG A 34 -20.148 -11.966 -8.516 1.00 0.00 N ATOM 413 NH2 ARG A 34 -21.283 -11.242 -6.657 1.00 0.00 N ATOM 0 H ARG A 34 -14.504 -8.378 -6.526 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.192 -11.013 -5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.331 -9.745 -7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.082 -11.479 -7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.505 -11.658 -5.911 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.742 -9.922 -5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.679 -10.177 -8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.653 -11.910 -8.029 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.056 -10.402 -5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.279 -12.057 -9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -21.016 -12.344 -8.896 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -21.288 -10.775 -5.750 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -22.149 -11.621 -7.040 1.00 0.00 H new ATOM 427 N LEU A 35 -12.448 -10.265 -8.197 1.00 0.00 N ATOM 428 CA LEU A 35 -11.259 -10.628 -8.960 1.00 0.00 C ATOM 429 C LEU A 35 -10.022 -10.638 -8.068 1.00 0.00 C ATOM 430 O LEU A 35 -9.291 -11.627 -8.014 1.00 0.00 O ATOM 431 CB LEU A 35 -11.057 -9.652 -10.121 1.00 0.00 C ATOM 432 CG LEU A 35 -12.132 -9.669 -11.208 1.00 0.00 C ATOM 433 CD1 LEU A 35 -12.117 -8.368 -11.995 1.00 0.00 C ATOM 434 CD2 LEU A 35 -11.934 -10.859 -12.136 1.00 0.00 C ATOM 0 H LEU A 35 -12.987 -9.496 -8.596 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.405 -11.632 -9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.996 -8.643 -9.714 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.095 -9.867 -10.586 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.105 -9.767 -10.727 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.889 -8.399 -12.764 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.309 -7.533 -11.321 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.142 -8.238 -12.465 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.708 -10.855 -12.903 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.954 -10.793 -12.609 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.998 -11.783 -11.561 1.00 0.00 H new ATOM 446 N LYS A 36 -9.794 -9.532 -7.368 1.00 0.00 N ATOM 447 CA LYS A 36 -8.648 -9.414 -6.475 1.00 0.00 C ATOM 448 C LYS A 36 -9.004 -9.883 -5.068 1.00 0.00 C ATOM 449 O LYS A 36 -8.619 -9.258 -4.080 1.00 0.00 O ATOM 450 CB LYS A 36 -8.156 -7.965 -6.432 1.00 0.00 C ATOM 451 CG LYS A 36 -7.839 -7.390 -7.802 1.00 0.00 C ATOM 452 CD LYS A 36 -6.635 -8.073 -8.429 1.00 0.00 C ATOM 453 CE LYS A 36 -6.485 -7.702 -9.896 1.00 0.00 C ATOM 454 NZ LYS A 36 -5.652 -8.691 -10.636 1.00 0.00 N ATOM 0 H LYS A 36 -10.389 -8.704 -7.402 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.852 -10.051 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.916 -7.346 -5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.263 -7.911 -5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.704 -7.505 -8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.646 -6.321 -7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.732 -7.791 -7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.739 -9.154 -8.335 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.471 -7.640 -10.357 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.032 -6.714 -9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.574 -8.403 -11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.703 -8.732 -10.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.097 -9.629 -10.581 1.00 0.00 H new ATOM 468 N ALA A 37 -9.739 -10.987 -4.985 1.00 0.00 N ATOM 469 CA ALA A 37 -10.143 -11.541 -3.699 1.00 0.00 C ATOM 470 C ALA A 37 -9.004 -12.326 -3.058 1.00 0.00 C ATOM 471 O ALA A 37 -8.704 -12.153 -1.876 1.00 0.00 O ATOM 472 CB ALA A 37 -11.368 -12.426 -3.868 1.00 0.00 C ATOM 0 H ALA A 37 -10.067 -11.515 -5.794 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.396 -10.713 -3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.659 -12.833 -2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.189 -11.836 -4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.135 -13.244 -4.550 1.00 0.00 H new ATOM 478 N LYS A 38 -8.373 -13.192 -3.843 1.00 0.00 N ATOM 479 CA LYS A 38 -7.266 -14.005 -3.353 1.00 0.00 C ATOM 480 C LYS A 38 -6.149 -13.126 -2.799 1.00 0.00 C ATOM 481 O LYS A 38 -5.662 -13.351 -1.691 1.00 0.00 O ATOM 482 CB LYS A 38 -6.722 -14.893 -4.475 1.00 0.00 C ATOM 483 CG LYS A 38 -7.741 -15.879 -5.018 1.00 0.00 C ATOM 484 CD LYS A 38 -7.936 -17.056 -4.077 1.00 0.00 C ATOM 485 CE LYS A 38 -8.608 -18.226 -4.778 1.00 0.00 C ATOM 486 NZ LYS A 38 -8.494 -19.485 -3.991 1.00 0.00 N ATOM 0 H LYS A 38 -8.610 -13.349 -4.823 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.641 -14.637 -2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.371 -14.260 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.858 -15.444 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.694 -15.372 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.414 -16.242 -5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.970 -17.373 -3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.541 -16.745 -3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.660 -17.995 -4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.156 -18.369 -5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.965 -20.258 -4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.490 -19.720 -3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.948 -19.357 -3.064 1.00 0.00 H new ATOM 500 N SER A 39 -5.750 -12.125 -3.576 1.00 0.00 N ATOM 501 CA SER A 39 -4.689 -11.214 -3.163 1.00 0.00 C ATOM 502 C SER A 39 -5.214 -10.183 -2.168 1.00 0.00 C ATOM 503 O SER A 39 -6.412 -10.129 -1.886 1.00 0.00 O ATOM 504 CB SER A 39 -4.093 -10.506 -4.382 1.00 0.00 C ATOM 505 OG SER A 39 -3.568 -11.440 -5.309 1.00 0.00 O ATOM 0 H SER A 39 -6.145 -11.924 -4.495 1.00 0.00 H new ATOM 0 HA SER A 39 -3.910 -11.800 -2.675 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.860 -9.901 -4.866 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.305 -9.825 -4.061 1.00 0.00 H new ATOM 0 HG SER A 39 -3.195 -10.962 -6.079 1.00 0.00 H new ATOM 511 N LEU A 40 -4.309 -9.367 -1.639 1.00 0.00 N ATOM 512 CA LEU A 40 -4.680 -8.337 -0.675 1.00 0.00 C ATOM 513 C LEU A 40 -5.039 -7.033 -1.381 1.00 0.00 C ATOM 514 O LEU A 40 -4.258 -6.510 -2.177 1.00 0.00 O ATOM 515 CB LEU A 40 -3.534 -8.097 0.310 1.00 0.00 C ATOM 516 CG LEU A 40 -3.627 -6.823 1.150 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.744 -6.939 2.175 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.299 -6.538 1.836 1.00 0.00 C ATOM 0 H LEU A 40 -3.314 -9.398 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.556 -8.685 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.478 -8.950 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.599 -8.072 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.857 -5.990 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.795 -6.023 2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.693 -7.094 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.546 -7.783 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.384 -5.628 2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.039 -7.373 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.521 -6.409 1.083 1.00 0.00 H new ATOM 530 N LEU A 41 -6.224 -6.513 -1.084 1.00 0.00 N ATOM 531 CA LEU A 41 -6.687 -5.268 -1.689 1.00 0.00 C ATOM 532 C LEU A 41 -6.623 -4.119 -0.688 1.00 0.00 C ATOM 533 O LEU A 41 -6.783 -4.321 0.516 1.00 0.00 O ATOM 534 CB LEU A 41 -8.118 -5.430 -2.205 1.00 0.00 C ATOM 535 CG LEU A 41 -8.604 -4.359 -3.181 1.00 0.00 C ATOM 536 CD1 LEU A 41 -8.267 -4.747 -4.612 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.102 -4.137 -3.026 1.00 0.00 C ATOM 0 H LEU A 41 -6.882 -6.933 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.029 -5.033 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.199 -6.401 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.792 -5.446 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.092 -3.425 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.621 -3.972 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.187 -4.855 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.751 -5.693 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.431 -3.371 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.631 -5.068 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.318 -3.813 -2.008 1.00 0.00 H new ATOM 549 N VAL A 42 -6.389 -2.913 -1.194 1.00 0.00 N ATOM 550 CA VAL A 42 -6.307 -1.730 -0.345 1.00 0.00 C ATOM 551 C VAL A 42 -7.024 -0.545 -0.982 1.00 0.00 C ATOM 552 O VAL A 42 -6.574 -0.002 -1.991 1.00 0.00 O ATOM 553 CB VAL A 42 -4.843 -1.340 -0.065 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.779 -0.076 0.777 1.00 0.00 C ATOM 555 CG2 VAL A 42 -4.109 -2.484 0.618 1.00 0.00 C ATOM 0 H VAL A 42 -6.253 -2.729 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.795 -1.982 0.597 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.350 -1.139 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.737 0.184 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.267 0.741 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.287 -0.245 1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.076 -2.192 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.600 -2.719 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.124 -3.363 -0.027 1.00 0.00 H new ATOM 565 N VAL A 43 -8.144 -0.148 -0.385 1.00 0.00 N ATOM 566 CA VAL A 43 -8.924 0.974 -0.893 1.00 0.00 C ATOM 567 C VAL A 43 -8.636 2.245 -0.103 1.00 0.00 C ATOM 568 O VAL A 43 -9.173 2.447 0.987 1.00 0.00 O ATOM 569 CB VAL A 43 -10.435 0.679 -0.836 1.00 0.00 C ATOM 570 CG1 VAL A 43 -11.232 1.873 -1.338 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.764 -0.569 -1.642 1.00 0.00 C ATOM 0 H VAL A 43 -8.531 -0.587 0.451 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.629 1.120 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.713 0.498 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.297 1.646 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.018 2.741 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.953 2.089 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.835 -0.763 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.471 -0.419 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.221 -1.421 -1.232 1.00 0.00 H new ATOM 581 N HIS A 44 -7.785 3.101 -0.659 1.00 0.00 N ATOM 582 CA HIS A 44 -7.426 4.355 -0.007 1.00 0.00 C ATOM 583 C HIS A 44 -8.398 5.466 -0.392 1.00 0.00 C ATOM 584 O HIS A 44 -8.703 5.657 -1.569 1.00 0.00 O ATOM 585 CB HIS A 44 -5.999 4.759 -0.380 1.00 0.00 C ATOM 586 CG HIS A 44 -5.732 6.225 -0.231 1.00 0.00 C ATOM 587 ND1 HIS A 44 -5.623 6.996 0.876 1.00 0.00 N flip ATOM 588 CD2 HIS A 44 -5.546 7.069 -1.305 1.00 0.00 C flip ATOM 589 CE1 HIS A 44 -5.373 8.280 0.455 1.00 0.00 C flip ATOM 590 NE2 HIS A 44 -5.331 8.296 -0.865 1.00 0.00 N flip ATOM 0 H HIS A 44 -7.331 2.949 -1.560 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.483 4.204 1.071 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.299 4.205 0.245 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.805 4.466 -1.412 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -5.710 6.682 1.843 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.572 6.773 -2.343 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.234 9.136 1.098 1.00 0.00 H new ATOM 599 N PHE A 45 -8.882 6.196 0.608 1.00 0.00 N ATOM 600 CA PHE A 45 -9.821 7.286 0.374 1.00 0.00 C ATOM 601 C PHE A 45 -9.082 8.604 0.159 1.00 0.00 C ATOM 602 O PHE A 45 -8.605 9.222 1.111 1.00 0.00 O ATOM 603 CB PHE A 45 -10.788 7.417 1.552 1.00 0.00 C ATOM 604 CG PHE A 45 -12.040 6.603 1.394 1.00 0.00 C ATOM 605 CD1 PHE A 45 -12.053 5.256 1.719 1.00 0.00 C ATOM 606 CD2 PHE A 45 -13.205 7.184 0.918 1.00 0.00 C ATOM 607 CE1 PHE A 45 -13.204 4.504 1.575 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.358 6.437 0.771 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.358 5.095 1.099 1.00 0.00 C ATOM 0 H PHE A 45 -8.639 6.052 1.588 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.388 7.056 -0.528 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.278 7.111 2.466 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.059 8.466 1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.153 4.788 2.089 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.212 8.232 0.659 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.201 3.456 1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.259 6.902 0.400 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.258 4.509 0.983 1.00 0.00 H new ATOM 619 N TRP A 46 -8.992 9.027 -1.096 1.00 0.00 N ATOM 620 CA TRP A 46 -8.310 10.270 -1.437 1.00 0.00 C ATOM 621 C TRP A 46 -9.311 11.405 -1.627 1.00 0.00 C ATOM 622 O TRP A 46 -10.349 11.228 -2.265 1.00 0.00 O ATOM 623 CB TRP A 46 -7.478 10.089 -2.707 1.00 0.00 C ATOM 624 CG TRP A 46 -8.298 10.106 -3.962 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.806 9.025 -4.624 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.703 11.261 -4.705 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.502 9.438 -5.734 1.00 0.00 N ATOM 628 CE2 TRP A 46 -9.454 10.805 -5.806 1.00 0.00 C ATOM 629 CE3 TRP A 46 -8.505 12.635 -4.547 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -10.005 11.676 -6.742 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -9.053 13.498 -5.477 1.00 0.00 C ATOM 632 CH2 TRP A 46 -9.796 13.017 -6.563 1.00 0.00 C ATOM 0 H TRP A 46 -9.383 8.528 -1.895 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.647 10.529 -0.612 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.731 10.881 -2.759 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.938 9.144 -2.647 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.679 7.997 -4.320 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.977 8.826 -6.397 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.934 13.016 -3.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -10.577 11.307 -7.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -8.906 14.562 -5.365 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -10.212 13.717 -7.272 1.00 0.00 H new ATOM 643 N ALA A 47 -8.993 12.569 -1.071 1.00 0.00 N ATOM 644 CA ALA A 47 -9.864 13.733 -1.182 1.00 0.00 C ATOM 645 C ALA A 47 -9.131 14.908 -1.820 1.00 0.00 C ATOM 646 O ALA A 47 -7.938 15.119 -1.602 1.00 0.00 O ATOM 647 CB ALA A 47 -10.400 14.123 0.187 1.00 0.00 C ATOM 0 H ALA A 47 -8.138 12.731 -0.539 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.702 13.469 -1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.049 14.993 0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.968 13.292 0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.568 14.363 0.849 1.00 0.00 H new ATOM 653 N PRO A 48 -9.859 15.692 -2.629 1.00 0.00 N ATOM 654 CA PRO A 48 -9.298 16.859 -3.315 1.00 0.00 C ATOM 655 C PRO A 48 -8.966 17.994 -2.352 1.00 0.00 C ATOM 656 O PRO A 48 -7.941 18.661 -2.494 1.00 0.00 O ATOM 657 CB PRO A 48 -10.416 17.280 -4.272 1.00 0.00 C ATOM 658 CG PRO A 48 -11.666 16.773 -3.640 1.00 0.00 C ATOM 659 CD PRO A 48 -11.286 15.500 -2.935 1.00 0.00 C ATOM 0 HA PRO A 48 -8.357 16.625 -3.813 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.445 18.363 -4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.271 16.851 -5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.072 17.502 -2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.436 16.589 -4.390 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.875 15.351 -2.030 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.447 14.627 -3.567 1.00 0.00 H new ATOM 667 N TRP A 49 -9.838 18.207 -1.373 1.00 0.00 N ATOM 668 CA TRP A 49 -9.636 19.261 -0.386 1.00 0.00 C ATOM 669 C TRP A 49 -8.503 18.903 0.570 1.00 0.00 C ATOM 670 O TRP A 49 -7.582 19.692 0.778 1.00 0.00 O ATOM 671 CB TRP A 49 -10.925 19.505 0.400 1.00 0.00 C ATOM 672 CG TRP A 49 -11.625 18.242 0.801 1.00 0.00 C ATOM 673 CD1 TRP A 49 -12.525 17.532 0.058 1.00 0.00 C ATOM 674 CD2 TRP A 49 -11.483 17.540 2.041 1.00 0.00 C ATOM 675 NE1 TRP A 49 -12.951 16.432 0.761 1.00 0.00 N ATOM 676 CE2 TRP A 49 -12.326 16.413 1.980 1.00 0.00 C ATOM 677 CE3 TRP A 49 -10.725 17.752 3.195 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -12.431 15.505 3.030 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -10.830 16.850 4.236 1.00 0.00 C ATOM 680 CH2 TRP A 49 -11.678 15.737 4.148 1.00 0.00 C ATOM 0 H TRP A 49 -10.691 17.664 -1.242 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.363 20.173 -0.916 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.693 20.083 1.295 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.601 20.110 -0.204 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.853 17.797 -0.936 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.624 15.741 0.429 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.068 18.606 3.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.084 14.647 2.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.249 17.005 5.133 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -11.738 15.050 4.979 1.00 0.00 H new ATOM 691 N ALA A 50 -8.578 17.708 1.148 1.00 0.00 N ATOM 692 CA ALA A 50 -7.557 17.246 2.079 1.00 0.00 C ATOM 693 C ALA A 50 -6.229 17.010 1.367 1.00 0.00 C ATOM 694 O ALA A 50 -6.090 16.104 0.545 1.00 0.00 O ATOM 695 CB ALA A 50 -8.016 15.974 2.777 1.00 0.00 C ATOM 0 H ALA A 50 -9.335 17.043 0.988 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.405 18.024 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.243 15.640 3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.936 16.173 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.198 15.197 2.035 1.00 0.00 H new ATOM 701 N PRO A 51 -5.229 17.845 1.686 1.00 0.00 N ATOM 702 CA PRO A 51 -3.895 17.748 1.087 1.00 0.00 C ATOM 703 C PRO A 51 -3.140 16.508 1.553 1.00 0.00 C ATOM 704 O PRO A 51 -2.090 16.168 1.007 1.00 0.00 O ATOM 705 CB PRO A 51 -3.193 19.017 1.576 1.00 0.00 C ATOM 706 CG PRO A 51 -3.894 19.374 2.842 1.00 0.00 C ATOM 707 CD PRO A 51 -5.324 18.948 2.657 1.00 0.00 C ATOM 0 HA PRO A 51 -3.941 17.662 0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.131 18.841 1.748 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.269 19.819 0.842 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.443 18.867 3.695 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.828 20.444 3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.770 18.620 3.596 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.941 19.764 2.279 1.00 0.00 H new ATOM 715 N GLN A 52 -3.680 15.836 2.564 1.00 0.00 N ATOM 716 CA GLN A 52 -3.056 14.634 3.103 1.00 0.00 C ATOM 717 C GLN A 52 -2.979 13.539 2.043 1.00 0.00 C ATOM 718 O GLN A 52 -1.930 12.922 1.850 1.00 0.00 O ATOM 719 CB GLN A 52 -3.836 14.129 4.318 1.00 0.00 C ATOM 720 CG GLN A 52 -3.546 14.906 5.592 1.00 0.00 C ATOM 721 CD GLN A 52 -3.872 16.381 5.464 1.00 0.00 C ATOM 722 OE1 GLN A 52 -4.968 16.751 5.041 1.00 0.00 O ATOM 723 NE2 GLN A 52 -2.921 17.232 5.829 1.00 0.00 N ATOM 0 H GLN A 52 -4.549 16.104 3.027 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.042 14.889 3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.903 14.185 4.103 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.598 13.078 4.481 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.124 14.480 6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.493 14.792 5.851 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.028 16.881 6.174 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.084 18.237 5.765 1.00 0.00 H new ATOM 732 N CYS A 53 -4.094 13.304 1.361 1.00 0.00 N ATOM 733 CA CYS A 53 -4.152 12.282 0.321 1.00 0.00 C ATOM 734 C CYS A 53 -2.837 12.213 -0.447 1.00 0.00 C ATOM 735 O CYS A 53 -2.388 11.133 -0.832 1.00 0.00 O ATOM 736 CB CYS A 53 -5.305 12.571 -0.642 1.00 0.00 C ATOM 737 SG CYS A 53 -5.215 14.193 -1.435 1.00 0.00 S ATOM 0 H CYS A 53 -4.969 13.806 1.509 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.322 11.318 0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.321 11.801 -1.414 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.246 12.496 -0.098 1.00 0.00 H new ATOM 0 HG CYS A 53 -6.271 14.885 -1.128 1.00 0.00 H new ATOM 743 N ALA A 54 -2.225 13.371 -0.669 1.00 0.00 N ATOM 744 CA ALA A 54 -0.961 13.442 -1.392 1.00 0.00 C ATOM 745 C ALA A 54 0.073 12.500 -0.783 1.00 0.00 C ATOM 746 O ALA A 54 0.433 11.488 -1.384 1.00 0.00 O ATOM 747 CB ALA A 54 -0.437 14.870 -1.400 1.00 0.00 C ATOM 0 H ALA A 54 -2.584 14.274 -0.358 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.140 13.127 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.507 14.908 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.163 15.521 -1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.280 15.206 -0.375 1.00 0.00 H new ATOM 753 N GLN A 55 0.545 12.841 0.412 1.00 0.00 N ATOM 754 CA GLN A 55 1.539 12.025 1.100 1.00 0.00 C ATOM 755 C GLN A 55 1.280 10.540 0.868 1.00 0.00 C ATOM 756 O GLN A 55 2.204 9.775 0.592 1.00 0.00 O ATOM 757 CB GLN A 55 1.528 12.328 2.600 1.00 0.00 C ATOM 758 CG GLN A 55 2.140 13.674 2.953 1.00 0.00 C ATOM 759 CD GLN A 55 3.643 13.601 3.137 1.00 0.00 C ATOM 760 OE1 GLN A 55 4.371 13.498 2.031 1.00 0.00 O flip ATOM 761 NE2 GLN A 55 4.145 13.636 4.261 1.00 0.00 N flip ATOM 0 H GLN A 55 0.256 13.675 0.923 1.00 0.00 H new ATOM 0 HA GLN A 55 2.520 12.272 0.693 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.500 12.300 2.960 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.071 11.542 3.125 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.909 14.392 2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.683 14.047 3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.548 13.716 5.084 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.158 13.585 4.369 1.00 0.00 H new ATOM 770 N MET A 56 0.018 10.139 0.982 1.00 0.00 N ATOM 771 CA MET A 56 -0.361 8.746 0.783 1.00 0.00 C ATOM 772 C MET A 56 -0.114 8.315 -0.660 1.00 0.00 C ATOM 773 O MET A 56 0.637 7.375 -0.916 1.00 0.00 O ATOM 774 CB MET A 56 -1.834 8.539 1.144 1.00 0.00 C ATOM 775 CG MET A 56 -2.192 9.026 2.538 1.00 0.00 C ATOM 776 SD MET A 56 -1.465 8.008 3.837 1.00 0.00 S ATOM 777 CE MET A 56 0.227 8.594 3.820 1.00 0.00 C ATOM 0 H MET A 56 -0.759 10.759 1.211 1.00 0.00 H new ATOM 0 HA MET A 56 0.256 8.131 1.438 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.455 9.060 0.415 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.073 7.478 1.066 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.854 10.056 2.657 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.276 9.031 2.650 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.613 8.621 4.839 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.839 7.922 3.218 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.261 9.596 3.393 1.00 0.00 H new ATOM 787 N ASN A 57 -0.751 9.009 -1.597 1.00 0.00 N ATOM 788 CA ASN A 57 -0.601 8.697 -3.014 1.00 0.00 C ATOM 789 C ASN A 57 0.848 8.353 -3.344 1.00 0.00 C ATOM 790 O ASN A 57 1.116 7.463 -4.150 1.00 0.00 O ATOM 791 CB ASN A 57 -1.063 9.879 -3.869 1.00 0.00 C ATOM 792 CG ASN A 57 0.068 10.834 -4.196 1.00 0.00 C ATOM 793 OD1 ASN A 57 0.102 11.964 -3.708 1.00 0.00 O ATOM 794 ND2 ASN A 57 1.001 10.383 -5.027 1.00 0.00 N ATOM 0 H ASN A 57 -1.376 9.791 -1.401 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.222 7.830 -3.238 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.498 9.505 -4.796 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.850 10.419 -3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.786 10.981 -5.285 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.932 9.439 -5.407 1.00 0.00 H new ATOM 801 N GLU A 58 1.778 9.064 -2.714 1.00 0.00 N ATOM 802 CA GLU A 58 3.200 8.833 -2.941 1.00 0.00 C ATOM 803 C GLU A 58 3.645 7.516 -2.310 1.00 0.00 C ATOM 804 O GLU A 58 4.237 6.666 -2.975 1.00 0.00 O ATOM 805 CB GLU A 58 4.025 9.989 -2.371 1.00 0.00 C ATOM 806 CG GLU A 58 3.646 11.345 -2.940 1.00 0.00 C ATOM 807 CD GLU A 58 4.599 12.444 -2.512 1.00 0.00 C ATOM 808 OE1 GLU A 58 4.657 12.740 -1.300 1.00 0.00 O ATOM 809 OE2 GLU A 58 5.287 13.009 -3.388 1.00 0.00 O ATOM 0 H GLU A 58 1.573 9.804 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 58 3.365 8.775 -4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.903 10.012 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.081 9.803 -2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.630 11.287 -4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.636 11.600 -2.620 1.00 0.00 H new ATOM 816 N VAL A 59 3.356 7.356 -1.023 1.00 0.00 N ATOM 817 CA VAL A 59 3.725 6.144 -0.301 1.00 0.00 C ATOM 818 C VAL A 59 3.182 4.902 -1.000 1.00 0.00 C ATOM 819 O VAL A 59 3.880 3.897 -1.132 1.00 0.00 O ATOM 820 CB VAL A 59 3.205 6.173 1.148 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.516 4.862 1.854 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.803 7.350 1.904 1.00 0.00 C ATOM 0 H VAL A 59 2.867 8.051 -0.458 1.00 0.00 H new ATOM 0 HA VAL A 59 4.814 6.103 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 59 2.122 6.297 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.141 4.902 2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.036 4.040 1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.594 4.704 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.425 7.356 2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.889 7.259 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.524 8.280 1.409 1.00 0.00 H new ATOM 832 N MET A 60 1.932 4.979 -1.445 1.00 0.00 N ATOM 833 CA MET A 60 1.296 3.861 -2.132 1.00 0.00 C ATOM 834 C MET A 60 2.069 3.487 -3.393 1.00 0.00 C ATOM 835 O MET A 60 2.473 2.338 -3.567 1.00 0.00 O ATOM 836 CB MET A 60 -0.149 4.211 -2.491 1.00 0.00 C ATOM 837 CG MET A 60 -1.062 4.337 -1.281 1.00 0.00 C ATOM 838 SD MET A 60 -2.648 5.095 -1.684 1.00 0.00 S ATOM 839 CE MET A 60 -3.377 3.826 -2.717 1.00 0.00 C ATOM 0 H MET A 60 1.340 5.803 -1.342 1.00 0.00 H new ATOM 0 HA MET A 60 1.298 3.004 -1.458 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.160 5.150 -3.044 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.545 3.444 -3.157 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.234 3.348 -0.856 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.564 4.931 -0.515 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.350 4.163 -3.076 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.724 3.630 -3.568 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.501 2.912 -2.137 1.00 0.00 H new ATOM 849 N ALA A 61 2.270 4.465 -4.270 1.00 0.00 N ATOM 850 CA ALA A 61 2.996 4.238 -5.514 1.00 0.00 C ATOM 851 C ALA A 61 4.191 3.317 -5.292 1.00 0.00 C ATOM 852 O ALA A 61 4.362 2.326 -6.001 1.00 0.00 O ATOM 853 CB ALA A 61 3.450 5.562 -6.109 1.00 0.00 C ATOM 0 H ALA A 61 1.941 5.422 -4.142 1.00 0.00 H new ATOM 0 HA ALA A 61 2.320 3.750 -6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.991 5.377 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.580 6.186 -6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.105 6.073 -5.403 1.00 0.00 H new ATOM 859 N GLU A 62 5.015 3.653 -4.305 1.00 0.00 N ATOM 860 CA GLU A 62 6.195 2.856 -3.992 1.00 0.00 C ATOM 861 C GLU A 62 5.800 1.453 -3.538 1.00 0.00 C ATOM 862 O GLU A 62 6.444 0.467 -3.899 1.00 0.00 O ATOM 863 CB GLU A 62 7.027 3.540 -2.905 1.00 0.00 C ATOM 864 CG GLU A 62 7.615 4.873 -3.337 1.00 0.00 C ATOM 865 CD GLU A 62 8.857 5.245 -2.551 1.00 0.00 C ATOM 866 OE1 GLU A 62 9.600 4.327 -2.146 1.00 0.00 O ATOM 867 OE2 GLU A 62 9.086 6.455 -2.342 1.00 0.00 O ATOM 0 H GLU A 62 4.887 4.471 -3.709 1.00 0.00 H new ATOM 0 HA GLU A 62 6.794 2.771 -4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.402 3.696 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.837 2.875 -2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.860 4.831 -4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.864 5.654 -3.214 1.00 0.00 H new ATOM 874 N LEU A 63 4.739 1.373 -2.743 1.00 0.00 N ATOM 875 CA LEU A 63 4.257 0.092 -2.238 1.00 0.00 C ATOM 876 C LEU A 63 3.768 -0.795 -3.379 1.00 0.00 C ATOM 877 O LEU A 63 3.971 -2.008 -3.366 1.00 0.00 O ATOM 878 CB LEU A 63 3.129 0.311 -1.228 1.00 0.00 C ATOM 879 CG LEU A 63 3.562 0.636 0.202 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.368 1.081 1.032 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.239 -0.568 0.840 1.00 0.00 C ATOM 0 H LEU A 63 4.196 2.179 -2.434 1.00 0.00 H new ATOM 0 HA LEU A 63 5.088 -0.410 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.498 1.123 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.511 -0.586 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 63 4.280 1.455 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.695 1.308 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.926 1.972 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.626 0.283 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.541 -0.319 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.543 -1.407 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.119 -0.842 0.257 1.00 0.00 H new ATOM 893 N ALA A 64 3.126 -0.179 -4.366 1.00 0.00 N ATOM 894 CA ALA A 64 2.612 -0.911 -5.517 1.00 0.00 C ATOM 895 C ALA A 64 3.679 -1.830 -6.104 1.00 0.00 C ATOM 896 O ALA A 64 3.496 -3.045 -6.174 1.00 0.00 O ATOM 897 CB ALA A 64 2.107 0.058 -6.576 1.00 0.00 C ATOM 0 H ALA A 64 2.949 0.825 -4.392 1.00 0.00 H new ATOM 0 HA ALA A 64 1.781 -1.531 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.726 -0.502 -7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.308 0.670 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.925 0.701 -6.900 1.00 0.00 H new ATOM 903 N LYS A 65 4.793 -1.241 -6.525 1.00 0.00 N ATOM 904 CA LYS A 65 5.890 -2.006 -7.106 1.00 0.00 C ATOM 905 C LYS A 65 6.538 -2.908 -6.060 1.00 0.00 C ATOM 906 O LYS A 65 6.747 -4.097 -6.297 1.00 0.00 O ATOM 907 CB LYS A 65 6.938 -1.063 -7.701 1.00 0.00 C ATOM 908 CG LYS A 65 7.468 -0.041 -6.710 1.00 0.00 C ATOM 909 CD LYS A 65 8.077 1.158 -7.418 1.00 0.00 C ATOM 910 CE LYS A 65 7.011 2.164 -7.826 1.00 0.00 C ATOM 911 NZ LYS A 65 7.602 3.361 -8.486 1.00 0.00 N ATOM 0 H LYS A 65 4.960 -0.236 -6.475 1.00 0.00 H new ATOM 0 HA LYS A 65 5.482 -2.633 -7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.771 -1.653 -8.082 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.502 -0.540 -8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.658 0.291 -6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.218 -0.507 -6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.802 1.640 -6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.620 0.823 -8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.303 1.688 -8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.449 2.475 -6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.844 4.022 -8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.259 3.830 -7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.117 3.067 -9.341 1.00 0.00 H new ATOM 925 N GLU A 66 6.852 -2.334 -4.903 1.00 0.00 N ATOM 926 CA GLU A 66 7.475 -3.088 -3.821 1.00 0.00 C ATOM 927 C GLU A 66 6.746 -4.408 -3.588 1.00 0.00 C ATOM 928 O GLU A 66 7.371 -5.464 -3.476 1.00 0.00 O ATOM 929 CB GLU A 66 7.483 -2.262 -2.533 1.00 0.00 C ATOM 930 CG GLU A 66 8.079 -2.997 -1.344 1.00 0.00 C ATOM 931 CD GLU A 66 9.595 -3.012 -1.367 1.00 0.00 C ATOM 932 OE1 GLU A 66 10.171 -3.042 -2.474 1.00 0.00 O ATOM 933 OE2 GLU A 66 10.205 -2.994 -0.277 1.00 0.00 O ATOM 0 H GLU A 66 6.685 -1.350 -4.691 1.00 0.00 H new ATOM 0 HA GLU A 66 8.503 -3.307 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.047 -1.345 -2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.461 -1.968 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.738 -2.526 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.709 -4.022 -1.333 1.00 0.00 H new ATOM 940 N LEU A 67 5.422 -4.341 -3.515 1.00 0.00 N ATOM 941 CA LEU A 67 4.606 -5.530 -3.294 1.00 0.00 C ATOM 942 C LEU A 67 3.736 -5.827 -4.511 1.00 0.00 C ATOM 943 O LEU A 67 2.628 -5.310 -4.654 1.00 0.00 O ATOM 944 CB LEU A 67 3.726 -5.346 -2.057 1.00 0.00 C ATOM 945 CG LEU A 67 4.451 -4.954 -0.769 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.455 -4.512 0.292 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.297 -6.112 -0.260 1.00 0.00 C ATOM 0 H LEU A 67 4.890 -3.476 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 67 5.275 -6.375 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.980 -4.582 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.187 -6.276 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 67 5.112 -4.116 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.990 -4.237 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.893 -3.652 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.767 -5.330 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.806 -5.815 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.656 -6.970 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.036 -6.381 -1.014 1.00 0.00 H new ATOM 959 N PRO A 68 4.247 -6.682 -5.410 1.00 0.00 N ATOM 960 CA PRO A 68 3.533 -7.070 -6.629 1.00 0.00 C ATOM 961 C PRO A 68 2.321 -7.949 -6.337 1.00 0.00 C ATOM 962 O PRO A 68 1.454 -8.130 -7.191 1.00 0.00 O ATOM 963 CB PRO A 68 4.582 -7.852 -7.422 1.00 0.00 C ATOM 964 CG PRO A 68 5.525 -8.373 -6.392 1.00 0.00 C ATOM 965 CD PRO A 68 5.563 -7.336 -5.304 1.00 0.00 C ATOM 0 HA PRO A 68 3.135 -6.205 -7.160 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.126 -8.664 -7.988 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.094 -7.211 -8.140 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.187 -9.334 -6.004 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.517 -8.531 -6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.709 -7.788 -4.323 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.377 -6.627 -5.453 1.00 0.00 H new ATOM 973 N GLN A 69 2.269 -8.492 -5.125 1.00 0.00 N ATOM 974 CA GLN A 69 1.163 -9.352 -4.721 1.00 0.00 C ATOM 975 C GLN A 69 0.108 -8.560 -3.957 1.00 0.00 C ATOM 976 O GLN A 69 -0.643 -9.117 -3.157 1.00 0.00 O ATOM 977 CB GLN A 69 1.676 -10.506 -3.857 1.00 0.00 C ATOM 978 CG GLN A 69 2.092 -10.080 -2.458 1.00 0.00 C ATOM 979 CD GLN A 69 3.503 -9.527 -2.412 1.00 0.00 C ATOM 980 OE1 GLN A 69 3.747 -8.384 -2.800 1.00 0.00 O ATOM 981 NE2 GLN A 69 4.441 -10.336 -1.935 1.00 0.00 N ATOM 0 H GLN A 69 2.979 -8.352 -4.406 1.00 0.00 H new ATOM 0 HA GLN A 69 0.704 -9.758 -5.622 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.898 -11.265 -3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.527 -10.971 -4.354 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.398 -9.324 -2.091 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.019 -10.934 -1.785 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.194 -11.276 -1.624 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.409 -10.018 -1.879 1.00 0.00 H new ATOM 990 N VAL A 70 0.057 -7.255 -4.209 1.00 0.00 N ATOM 991 CA VAL A 70 -0.907 -6.386 -3.545 1.00 0.00 C ATOM 992 C VAL A 70 -1.630 -5.498 -4.551 1.00 0.00 C ATOM 993 O VAL A 70 -1.022 -4.980 -5.488 1.00 0.00 O ATOM 994 CB VAL A 70 -0.225 -5.496 -2.489 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.239 -4.564 -1.841 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.471 -6.351 -1.441 1.00 0.00 C ATOM 0 H VAL A 70 0.672 -6.777 -4.868 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.631 -7.034 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 70 0.529 -4.885 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.739 -3.943 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.687 -3.927 -2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.018 -5.153 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.947 -5.706 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.262 -6.989 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.227 -6.972 -1.922 1.00 0.00 H new ATOM 1006 N SER A 71 -2.933 -5.326 -4.351 1.00 0.00 N ATOM 1007 CA SER A 71 -3.741 -4.504 -5.244 1.00 0.00 C ATOM 1008 C SER A 71 -4.070 -3.162 -4.596 1.00 0.00 C ATOM 1009 O SER A 71 -4.913 -3.081 -3.702 1.00 0.00 O ATOM 1010 CB SER A 71 -5.033 -5.234 -5.615 1.00 0.00 C ATOM 1011 OG SER A 71 -4.757 -6.435 -6.315 1.00 0.00 O ATOM 0 H SER A 71 -3.451 -5.745 -3.579 1.00 0.00 H new ATOM 0 HA SER A 71 -3.164 -4.320 -6.150 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.600 -5.458 -4.712 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.657 -4.586 -6.230 1.00 0.00 H new ATOM 0 HG SER A 71 -5.119 -7.196 -5.814 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.400 -2.111 -5.055 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.619 -0.771 -4.521 1.00 0.00 C ATOM 1019 C PHE A 72 -4.617 0.000 -5.380 1.00 0.00 C ATOM 1020 O PHE A 72 -4.392 0.215 -6.571 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.296 -0.007 -4.445 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.342 -0.559 -3.424 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -1.395 -0.134 -2.106 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -0.393 -1.502 -3.782 1.00 0.00 C ATOM 1025 CE1 PHE A 72 -0.519 -0.640 -1.164 1.00 0.00 C ATOM 1026 CE2 PHE A 72 0.485 -2.012 -2.845 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.423 -1.580 -1.534 1.00 0.00 C ATOM 0 H PHE A 72 -2.701 -2.161 -5.796 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.031 -0.870 -3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.818 -0.026 -5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.502 1.037 -4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.129 0.601 -1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.339 -1.843 -4.805 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.571 -0.301 -0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.219 -2.748 -3.137 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.109 -1.976 -0.800 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.721 0.414 -4.766 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.754 1.162 -5.473 1.00 0.00 C ATOM 1039 C VAL A 73 -7.214 2.366 -4.659 1.00 0.00 C ATOM 1040 O VAL A 73 -7.536 2.245 -3.477 1.00 0.00 O ATOM 1041 CB VAL A 73 -7.972 0.274 -5.790 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.622 -0.751 -6.858 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.476 -0.409 -4.528 1.00 0.00 C ATOM 0 H VAL A 73 -5.923 0.244 -3.781 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.312 1.507 -6.408 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.771 0.907 -6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.495 -1.369 -7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.313 -0.237 -7.768 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.807 -1.382 -6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.337 -1.032 -4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.684 -1.031 -4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.769 0.346 -3.798 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.245 3.530 -5.300 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.668 4.758 -4.637 1.00 0.00 C ATOM 1055 C LYS A 74 -9.037 5.204 -5.141 1.00 0.00 C ATOM 1056 O LYS A 74 -9.266 5.295 -6.348 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.640 5.867 -4.870 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.609 6.376 -6.301 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.442 7.323 -6.531 1.00 0.00 C ATOM 1060 CE LYS A 74 -5.764 8.356 -7.599 1.00 0.00 C ATOM 1061 NZ LYS A 74 -5.385 7.884 -8.960 1.00 0.00 N ATOM 0 H LYS A 74 -6.982 3.648 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.742 4.558 -3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.858 6.700 -4.202 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.650 5.496 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.535 5.532 -6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.544 6.888 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.193 7.828 -5.598 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.562 6.752 -6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.830 8.581 -7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.237 9.284 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.799 8.516 -9.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.349 7.888 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.742 6.918 -9.104 1.00 0.00 H new ATOM 1075 N LEU A 75 -9.943 5.483 -4.211 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.289 5.922 -4.561 1.00 0.00 C ATOM 1077 C LEU A 75 -11.549 7.337 -4.054 1.00 0.00 C ATOM 1078 O LEU A 75 -11.128 7.700 -2.957 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.327 4.961 -3.979 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.778 5.211 -4.391 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.591 3.930 -4.287 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -14.395 6.306 -3.533 1.00 0.00 C ATOM 0 H LEU A 75 -9.770 5.413 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.373 5.924 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.057 3.946 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.266 5.007 -2.892 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.788 5.541 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.621 4.128 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.163 3.173 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.573 3.570 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.428 6.471 -3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.372 6.004 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.828 7.229 -3.657 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.248 8.129 -4.862 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.565 9.504 -4.494 1.00 0.00 C ATOM 1096 C GLU A 76 -13.876 9.571 -3.716 1.00 0.00 C ATOM 1097 O GLU A 76 -14.959 9.524 -4.299 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.656 10.382 -5.744 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.694 11.871 -5.441 1.00 0.00 C ATOM 1100 CD GLU A 76 -13.066 12.703 -6.652 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -12.641 12.344 -7.771 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -13.780 13.713 -6.483 1.00 0.00 O ATOM 0 H GLU A 76 -12.605 7.843 -5.774 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.764 9.876 -3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.802 10.173 -6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.551 10.111 -6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.412 12.057 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.718 12.188 -5.073 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.770 9.679 -2.396 1.00 0.00 N ATOM 1110 CA ALA A 77 -14.946 9.753 -1.538 1.00 0.00 C ATOM 1111 C ALA A 77 -16.001 10.680 -2.132 1.00 0.00 C ATOM 1112 O ALA A 77 -17.190 10.361 -2.133 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.554 10.222 -0.145 1.00 0.00 C ATOM 0 H ALA A 77 -12.881 9.717 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.376 8.754 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.442 10.273 0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.841 9.520 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.097 11.210 -0.209 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.558 11.828 -2.636 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.466 12.801 -3.232 1.00 0.00 C ATOM 1121 C GLU A 78 -16.883 12.368 -4.635 1.00 0.00 C ATOM 1122 O GLU A 78 -17.938 12.763 -5.131 1.00 0.00 O ATOM 1123 CB GLU A 78 -15.807 14.180 -3.286 1.00 0.00 C ATOM 1124 CG GLU A 78 -15.871 14.937 -1.970 1.00 0.00 C ATOM 1125 CD GLU A 78 -17.294 15.177 -1.504 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -17.890 16.194 -1.916 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -17.811 14.347 -0.726 1.00 0.00 O ATOM 0 H GLU A 78 -14.577 12.107 -2.643 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.358 12.857 -2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.763 14.063 -3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.290 14.774 -4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.332 14.377 -1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.362 15.895 -2.081 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.045 11.555 -5.271 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.342 11.083 -6.610 1.00 0.00 C ATOM 1136 C GLY A 79 -17.388 9.986 -6.620 1.00 0.00 C ATOM 1137 O GLY A 79 -18.271 9.967 -7.477 1.00 0.00 O ATOM 0 H GLY A 79 -15.165 11.215 -4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.690 11.918 -7.217 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.427 10.713 -7.072 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.289 9.067 -5.664 1.00 0.00 N ATOM 1142 CA VAL A 80 -18.234 7.961 -5.566 1.00 0.00 C ATOM 1143 C VAL A 80 -18.834 7.874 -4.167 1.00 0.00 C ATOM 1144 O VAL A 80 -18.387 7.100 -3.320 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.563 6.618 -5.909 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.558 5.475 -5.779 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.969 6.662 -7.309 1.00 0.00 C ATOM 0 H VAL A 80 -16.564 9.067 -4.947 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.027 8.157 -6.287 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.753 6.445 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -18.066 4.534 -6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.931 5.432 -4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -19.391 5.638 -6.463 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.499 5.705 -7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.759 6.858 -8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.223 7.455 -7.363 1.00 0.00 H new ATOM 1157 N PRO A 81 -19.873 8.685 -3.917 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.558 8.718 -2.622 1.00 0.00 C ATOM 1159 C PRO A 81 -21.361 7.448 -2.359 1.00 0.00 C ATOM 1160 O PRO A 81 -21.724 7.158 -1.219 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.491 9.925 -2.745 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.729 10.073 -4.208 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.458 9.633 -4.880 1.00 0.00 C ATOM 0 HA PRO A 81 -19.856 8.788 -1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.424 9.760 -2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.035 10.822 -2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.572 9.462 -4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -21.968 11.106 -4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.655 9.159 -5.841 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.792 10.475 -5.070 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.633 6.695 -3.420 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.394 5.457 -3.302 1.00 0.00 C ATOM 1173 C GLU A 82 -21.696 4.478 -2.362 1.00 0.00 C ATOM 1174 O GLU A 82 -22.295 3.982 -1.407 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.582 4.814 -4.678 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.502 3.606 -4.664 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.958 3.984 -4.474 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -25.294 4.537 -3.406 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.763 3.726 -5.395 1.00 0.00 O ATOM 0 H GLU A 82 -21.338 6.920 -4.370 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.372 5.700 -2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -22.984 5.558 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.608 4.514 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -23.392 3.059 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -23.198 2.932 -3.863 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.426 4.203 -2.640 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.645 3.284 -1.820 1.00 0.00 C ATOM 1188 C VAL A 83 -19.369 3.875 -0.442 1.00 0.00 C ATOM 1189 O VAL A 83 -19.486 3.190 0.573 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.306 2.931 -2.493 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.475 2.031 -1.590 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.545 2.270 -3.842 1.00 0.00 C ATOM 0 H VAL A 83 -19.916 4.603 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 83 -20.238 2.376 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.749 3.853 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.532 1.792 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.273 2.545 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.023 1.110 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.588 2.028 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.122 1.356 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.097 2.952 -4.489 1.00 0.00 H new ATOM 1202 N SER A 84 -19.003 5.152 -0.415 1.00 0.00 N ATOM 1203 CA SER A 84 -18.706 5.836 0.838 1.00 0.00 C ATOM 1204 C SER A 84 -19.854 5.674 1.830 1.00 0.00 C ATOM 1205 O SER A 84 -19.632 5.486 3.025 1.00 0.00 O ATOM 1206 CB SER A 84 -18.444 7.322 0.583 1.00 0.00 C ATOM 1207 OG SER A 84 -17.349 7.502 -0.298 1.00 0.00 O ATOM 0 H SER A 84 -18.905 5.734 -1.247 1.00 0.00 H new ATOM 0 HA SER A 84 -17.811 5.385 1.267 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.336 7.784 0.159 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.242 7.826 1.528 1.00 0.00 H new ATOM 0 HG SER A 84 -17.646 7.365 -1.222 1.00 0.00 H new ATOM 1213 N GLU A 85 -21.081 5.748 1.323 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.264 5.611 2.165 1.00 0.00 C ATOM 1215 C GLU A 85 -22.309 4.233 2.819 1.00 0.00 C ATOM 1216 O GLU A 85 -22.364 4.115 4.043 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.533 5.838 1.340 1.00 0.00 C ATOM 1218 CG GLU A 85 -24.793 5.948 2.181 1.00 0.00 C ATOM 1219 CD GLU A 85 -24.777 7.154 3.101 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -24.062 7.112 4.123 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -25.481 8.140 2.796 1.00 0.00 O ATOM 0 H GLU A 85 -21.282 5.902 0.335 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.210 6.365 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.417 6.749 0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.649 5.016 0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -25.660 6.009 1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -24.908 5.043 2.777 1.00 0.00 H new ATOM 1228 N LYS A 86 -22.285 3.192 1.993 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.323 1.821 2.489 1.00 0.00 C ATOM 1230 C LYS A 86 -21.408 1.654 3.699 1.00 0.00 C ATOM 1231 O LYS A 86 -21.864 1.319 4.792 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.908 0.846 1.385 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.921 -0.609 1.821 1.00 0.00 C ATOM 1234 CD LYS A 86 -21.023 -1.463 0.941 1.00 0.00 C ATOM 1235 CE LYS A 86 -21.762 -1.961 -0.291 1.00 0.00 C ATOM 1236 NZ LYS A 86 -21.163 -3.214 -0.828 1.00 0.00 N ATOM 0 H LYS A 86 -22.239 3.272 0.977 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.346 1.600 2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.578 0.967 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.906 1.105 1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.592 -0.682 2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.941 -0.992 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -20.153 -0.882 0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.653 -2.314 1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -22.808 -2.137 -0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.744 -1.190 -1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -21.695 -3.521 -1.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -20.172 -3.040 -1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.203 -3.957 -0.102 1.00 0.00 H new ATOM 1250 N TYR A 87 -20.117 1.892 3.495 1.00 0.00 N ATOM 1251 CA TYR A 87 -19.139 1.768 4.569 1.00 0.00 C ATOM 1252 C TYR A 87 -19.217 2.959 5.519 1.00 0.00 C ATOM 1253 O TYR A 87 -18.646 2.937 6.608 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.727 1.654 3.991 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.526 0.433 3.122 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -17.814 0.467 1.764 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -17.045 -0.755 3.660 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -17.632 -0.647 0.967 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -16.858 -1.873 2.871 1.00 0.00 C ATOM 1260 CZ TYR A 87 -17.153 -1.814 1.525 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.969 -2.925 0.734 1.00 0.00 O ATOM 0 H TYR A 87 -19.724 2.172 2.596 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.369 0.863 5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.510 2.547 3.405 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -17.009 1.629 4.811 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -18.187 1.380 1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -16.813 -0.805 4.714 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -17.864 -0.604 -0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -16.483 -2.788 3.305 1.00 0.00 H new ATOM 0 HH TYR A 87 -16.114 -3.348 0.958 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.931 3.998 5.096 1.00 0.00 N ATOM 1272 CA GLU A 88 -20.084 5.200 5.908 1.00 0.00 C ATOM 1273 C GLU A 88 -18.735 5.873 6.143 1.00 0.00 C ATOM 1274 O GLU A 88 -18.429 6.300 7.257 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.736 4.856 7.249 1.00 0.00 C ATOM 1276 CG GLU A 88 -22.097 4.195 7.112 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.527 3.478 8.377 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -22.630 4.142 9.430 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -22.762 2.253 8.314 1.00 0.00 O ATOM 0 H GLU A 88 -20.412 4.032 4.197 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.727 5.894 5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -20.074 4.193 7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.842 5.768 7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.840 4.951 6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -22.070 3.483 6.287 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.934 5.964 5.088 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.619 6.586 5.179 1.00 0.00 C ATOM 1288 C ILE A 89 -16.726 8.106 5.147 1.00 0.00 C ATOM 1289 O ILE A 89 -16.734 8.716 4.078 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.697 6.123 4.035 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.461 4.614 4.119 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.375 6.875 4.084 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.572 4.204 5.273 1.00 0.00 C ATOM 0 H ILE A 89 -18.172 5.615 4.160 1.00 0.00 H new ATOM 0 HA ILE A 89 -16.188 6.275 6.131 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.183 6.343 3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.422 4.109 4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.012 4.272 3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.734 6.537 3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.560 7.944 3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.882 6.683 5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.449 3.121 5.270 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.597 4.681 5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -15.029 4.515 6.213 1.00 0.00 H new ATOM 1305 N SER A 90 -16.806 8.713 6.327 1.00 0.00 N ATOM 1306 CA SER A 90 -16.914 10.164 6.435 1.00 0.00 C ATOM 1307 C SER A 90 -15.623 10.766 6.981 1.00 0.00 C ATOM 1308 O SER A 90 -15.652 11.695 7.788 1.00 0.00 O ATOM 1309 CB SER A 90 -18.089 10.542 7.338 1.00 0.00 C ATOM 1310 OG SER A 90 -18.275 11.947 7.372 1.00 0.00 O ATOM 0 H SER A 90 -16.798 8.223 7.222 1.00 0.00 H new ATOM 0 HA SER A 90 -17.087 10.567 5.437 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.998 10.060 6.978 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.910 10.171 8.347 1.00 0.00 H new ATOM 0 HG SER A 90 -17.431 12.383 7.612 1.00 0.00 H new ATOM 1316 N SER A 91 -14.492 10.229 6.534 1.00 0.00 N ATOM 1317 CA SER A 91 -13.190 10.710 6.980 1.00 0.00 C ATOM 1318 C SER A 91 -12.090 10.270 6.019 1.00 0.00 C ATOM 1319 O SER A 91 -12.115 9.155 5.497 1.00 0.00 O ATOM 1320 CB SER A 91 -12.888 10.195 8.389 1.00 0.00 C ATOM 1321 OG SER A 91 -12.835 8.779 8.414 1.00 0.00 O ATOM 0 H SER A 91 -14.451 9.461 5.864 1.00 0.00 H new ATOM 0 HA SER A 91 -13.219 11.799 6.997 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.938 10.604 8.733 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.655 10.546 9.080 1.00 0.00 H new ATOM 0 HG SER A 91 -12.639 8.475 9.325 1.00 0.00 H new ATOM 1327 N VAL A 92 -11.125 11.155 5.789 1.00 0.00 N ATOM 1328 CA VAL A 92 -10.015 10.859 4.891 1.00 0.00 C ATOM 1329 C VAL A 92 -8.724 11.505 5.382 1.00 0.00 C ATOM 1330 O VAL A 92 -8.733 12.545 6.042 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.306 11.345 3.459 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.495 10.598 2.873 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.551 12.846 3.445 1.00 0.00 C ATOM 0 H VAL A 92 -11.090 12.082 6.212 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.896 9.776 4.882 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.434 11.136 2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.686 10.955 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.277 9.530 2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.375 10.773 3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.755 13.172 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.406 13.081 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.668 13.362 3.821 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.586 10.877 5.053 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.563 9.639 4.268 1.00 0.00 C ATOM 1345 C PRO A 93 -8.110 8.448 5.048 1.00 0.00 C ATOM 1346 O PRO A 93 -8.255 8.506 6.269 1.00 0.00 O ATOM 1347 CB PRO A 93 -6.077 9.441 3.961 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.365 10.154 5.059 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.233 11.327 5.422 1.00 0.00 C ATOM 0 HA PRO A 93 -8.190 9.708 3.379 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.815 8.383 3.940 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.816 9.853 2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.215 9.499 5.917 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.378 10.484 4.734 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.164 11.565 6.484 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.945 12.225 4.875 1.00 0.00 H new ATOM 1357 N THR A 94 -8.412 7.368 4.334 1.00 0.00 N ATOM 1358 CA THR A 94 -8.943 6.163 4.959 1.00 0.00 C ATOM 1359 C THR A 94 -8.672 4.933 4.100 1.00 0.00 C ATOM 1360 O THR A 94 -9.126 4.848 2.959 1.00 0.00 O ATOM 1361 CB THR A 94 -10.459 6.280 5.205 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.716 7.241 6.234 1.00 0.00 O ATOM 1363 CG2 THR A 94 -11.048 4.935 5.601 1.00 0.00 C ATOM 0 H THR A 94 -8.298 7.303 3.322 1.00 0.00 H new ATOM 0 HA THR A 94 -8.434 6.053 5.917 1.00 0.00 H new ATOM 0 HB THR A 94 -10.931 6.607 4.278 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.553 7.712 6.040 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.120 5.042 5.770 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.877 4.213 4.802 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.570 4.584 6.516 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.930 3.981 4.657 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.598 2.755 3.941 1.00 0.00 C ATOM 1373 C PHE A 95 -8.480 1.599 4.405 1.00 0.00 C ATOM 1374 O PHE A 95 -8.707 1.418 5.602 1.00 0.00 O ATOM 1375 CB PHE A 95 -6.124 2.402 4.148 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.180 3.470 3.676 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.883 4.556 4.484 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.589 3.389 2.425 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -4.014 5.542 4.053 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.720 4.371 1.990 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.433 5.449 2.804 1.00 0.00 C ATOM 0 H PHE A 95 -7.548 4.035 5.601 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.778 2.923 2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.949 2.216 5.208 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.903 1.474 3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.335 4.633 5.462 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.810 2.549 1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.790 6.383 4.692 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.265 4.296 1.013 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.755 6.218 2.464 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.975 0.820 3.450 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.832 -0.319 3.759 1.00 0.00 C ATOM 1393 C LEU A 96 -9.236 -1.613 3.214 1.00 0.00 C ATOM 1394 O LEU A 96 -9.276 -1.869 2.010 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.230 -0.103 3.177 1.00 0.00 C ATOM 1396 CG LEU A 96 -12.158 0.809 3.980 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.453 1.055 3.221 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.446 0.206 5.347 1.00 0.00 C ATOM 0 H LEU A 96 -8.798 0.956 2.455 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.905 -0.403 4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.124 0.312 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.712 -1.075 3.071 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.658 1.767 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -14.101 1.706 3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.230 1.530 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.957 0.105 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.108 0.868 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.925 -0.765 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.511 0.082 5.894 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.686 -2.428 4.108 1.00 0.00 N ATOM 1411 CA PHE A 97 -8.083 -3.697 3.717 1.00 0.00 C ATOM 1412 C PHE A 97 -9.153 -4.759 3.486 1.00 0.00 C ATOM 1413 O PHE A 97 -9.914 -5.098 4.393 1.00 0.00 O ATOM 1414 CB PHE A 97 -7.101 -4.171 4.790 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.991 -3.195 5.060 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -6.143 -2.200 6.013 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.797 -3.272 4.362 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -5.124 -1.300 6.264 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.775 -2.375 4.609 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.939 -1.388 5.561 1.00 0.00 C ATOM 0 H PHE A 97 -8.645 -2.232 5.108 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.543 -3.542 2.783 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.647 -4.353 5.716 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.670 -5.123 4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.068 -2.127 6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.663 -4.042 3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.255 -0.529 7.009 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.849 -2.446 4.058 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.142 -0.686 5.755 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.206 -5.282 2.266 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.184 -6.305 1.914 1.00 0.00 C ATOM 1432 C PHE A 98 -9.492 -7.611 1.533 1.00 0.00 C ATOM 1433 O PHE A 98 -8.798 -7.686 0.518 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.063 -5.825 0.757 1.00 0.00 C ATOM 1435 CG PHE A 98 -11.952 -4.670 1.120 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -13.170 -4.885 1.745 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.570 -3.368 0.836 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.990 -3.824 2.081 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.386 -2.304 1.169 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.598 -2.532 1.791 1.00 0.00 C ATOM 0 H PHE A 98 -8.583 -5.014 1.504 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.811 -6.487 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.425 -5.534 -0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.681 -6.654 0.412 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.482 -5.894 1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -10.624 -3.183 0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.936 -4.005 2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.076 -1.294 0.943 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.238 -1.701 2.050 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.685 -8.637 2.354 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.081 -9.941 2.105 1.00 0.00 C ATOM 1452 C LYS A 99 -10.141 -10.966 1.713 1.00 0.00 C ATOM 1453 O LYS A 99 -10.990 -11.335 2.523 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.326 -10.422 3.346 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.381 -11.579 3.073 1.00 0.00 C ATOM 1456 CD LYS A 99 -6.025 -11.090 2.593 1.00 0.00 C ATOM 1457 CE LYS A 99 -5.154 -10.636 3.754 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.700 -11.782 4.589 1.00 0.00 N ATOM 0 H LYS A 99 -10.255 -8.591 3.198 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.379 -9.836 1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.757 -9.589 3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.047 -10.724 4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.255 -12.169 3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.818 -12.238 2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.521 -11.889 2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.161 -10.265 1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.286 -10.101 3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.712 -9.934 4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.886 -11.490 5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.475 -12.087 5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.421 -12.572 3.972 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.085 -11.422 0.466 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.040 -12.405 -0.032 1.00 0.00 C ATOM 1474 C ASN A 100 -12.454 -11.833 -0.043 1.00 0.00 C ATOM 1475 O ASN A 100 -13.413 -12.513 0.321 1.00 0.00 O ATOM 1476 CB ASN A 100 -10.996 -13.670 0.827 1.00 0.00 C ATOM 1477 CG ASN A 100 -9.995 -14.685 0.312 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -10.352 -15.818 -0.012 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -8.731 -14.283 0.234 1.00 0.00 N ATOM 0 H ASN A 100 -9.388 -11.127 -0.218 1.00 0.00 H new ATOM 0 HA ASN A 100 -10.762 -12.659 -1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.741 -13.401 1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.987 -14.123 0.853 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -8.012 -14.923 -0.105 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.479 -13.335 0.513 1.00 0.00 H new ATOM 1486 N SER A 101 -12.575 -10.578 -0.465 1.00 0.00 N ATOM 1487 CA SER A 101 -13.871 -9.912 -0.521 1.00 0.00 C ATOM 1488 C SER A 101 -14.480 -9.790 0.873 1.00 0.00 C ATOM 1489 O SER A 101 -15.692 -9.920 1.045 1.00 0.00 O ATOM 1490 CB SER A 101 -14.823 -10.680 -1.440 1.00 0.00 C ATOM 1491 OG SER A 101 -14.589 -10.357 -2.800 1.00 0.00 O ATOM 0 H SER A 101 -11.791 -10.002 -0.773 1.00 0.00 H new ATOM 0 HA SER A 101 -13.720 -8.910 -0.922 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.693 -11.752 -1.290 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.855 -10.444 -1.179 1.00 0.00 H new ATOM 0 HG SER A 101 -13.633 -10.187 -2.936 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.630 -9.540 1.863 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.084 -9.401 3.242 1.00 0.00 C ATOM 1499 C GLN A 102 -13.122 -8.533 4.046 1.00 0.00 C ATOM 1500 O GLN A 102 -11.980 -8.920 4.296 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.218 -10.777 3.898 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.197 -11.697 3.186 1.00 0.00 C ATOM 1503 CD GLN A 102 -15.692 -12.821 4.074 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -15.393 -12.863 5.268 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -16.454 -13.742 3.495 1.00 0.00 N ATOM 0 H GLN A 102 -12.624 -9.430 1.737 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.060 -8.915 3.230 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.238 -11.254 3.926 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.539 -10.648 4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.049 -11.114 2.836 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -14.716 -12.120 2.304 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -16.677 -13.669 2.502 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -16.816 -14.523 4.043 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.591 -7.357 4.450 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.774 -6.433 5.228 1.00 0.00 C ATOM 1516 C LYS A 103 -12.240 -7.107 6.488 1.00 0.00 C ATOM 1517 O LYS A 103 -13.003 -7.680 7.267 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.588 -5.194 5.605 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.776 -4.126 6.318 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.668 -3.040 6.896 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.116 -3.381 8.309 1.00 0.00 C ATOM 1522 NZ LYS A 103 -13.151 -2.888 9.331 1.00 0.00 N ATOM 0 H LYS A 103 -14.533 -7.021 4.251 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.927 -6.130 4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.022 -4.766 4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.417 -5.495 6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.194 -4.584 7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.066 -3.682 5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.131 -2.091 6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.542 -2.907 6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.097 -2.943 8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.226 -4.461 8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.492 -3.140 10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.221 -3.325 9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.065 -1.854 9.257 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.928 -7.033 6.682 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.294 -7.634 7.849 1.00 0.00 C ATOM 1538 C ILE A 104 -9.574 -6.582 8.686 1.00 0.00 C ATOM 1539 O ILE A 104 -9.530 -6.674 9.913 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.288 -8.727 7.443 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.191 -8.137 6.555 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -10.002 -9.864 6.727 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -6.996 -9.049 6.384 1.00 0.00 C ATOM 0 H ILE A 104 -10.283 -6.563 6.047 1.00 0.00 H new ATOM 0 HA ILE A 104 -11.089 -8.086 8.442 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.824 -9.126 8.345 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.610 -7.913 5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.858 -7.191 6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -9.278 -10.629 6.446 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.750 -10.299 7.390 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.490 -9.480 5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.259 -8.566 5.743 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.552 -9.253 7.358 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.316 -9.986 5.928 1.00 0.00 H new ATOM 1555 N ASP A 105 -9.012 -5.583 8.015 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.297 -4.511 8.697 1.00 0.00 C ATOM 1557 C ASP A 105 -8.653 -3.153 8.099 1.00 0.00 C ATOM 1558 O ASP A 105 -9.291 -3.075 7.049 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.787 -4.740 8.609 1.00 0.00 C ATOM 1560 CG ASP A 105 -6.029 -4.033 9.714 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -6.261 -4.360 10.896 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -5.203 -3.150 9.398 1.00 0.00 O ATOM 0 H ASP A 105 -9.038 -5.493 6.999 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.598 -4.517 9.745 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.581 -5.809 8.658 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.425 -4.390 7.642 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.237 -2.087 8.774 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.515 -0.733 8.311 1.00 0.00 C ATOM 1569 C ARG A 106 -7.602 0.276 9.002 1.00 0.00 C ATOM 1570 O ARG A 106 -7.281 0.132 10.183 1.00 0.00 O ATOM 1571 CB ARG A 106 -9.979 -0.373 8.569 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.290 1.100 8.357 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.508 1.532 9.159 1.00 0.00 C ATOM 1574 NE ARG A 106 -12.047 2.806 8.690 1.00 0.00 N ATOM 1575 CZ ARG A 106 -12.900 3.546 9.391 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -13.308 3.140 10.585 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -13.346 4.694 8.897 1.00 0.00 N ATOM 0 H ARG A 106 -7.706 -2.135 9.644 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.323 -0.696 7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.612 -0.968 7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.237 -0.647 9.592 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.429 1.701 8.649 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.465 1.287 7.298 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.279 0.764 9.090 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.238 1.618 10.211 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.753 3.146 7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.967 2.258 10.968 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.963 3.710 11.121 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.034 5.009 7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.001 5.261 9.436 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.188 1.296 8.260 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.311 2.330 8.801 1.00 0.00 C ATOM 1593 C LEU A 107 -6.905 3.717 8.581 1.00 0.00 C ATOM 1594 O LEU A 107 -7.156 4.123 7.446 1.00 0.00 O ATOM 1595 CB LEU A 107 -4.929 2.245 8.152 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.753 2.703 9.015 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.444 2.555 8.256 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.950 4.143 9.465 1.00 0.00 C ATOM 0 H LEU A 107 -7.445 1.430 7.282 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.212 2.164 9.874 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.753 1.212 7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.940 2.843 7.241 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.710 2.069 9.901 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.619 2.886 8.886 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.297 1.510 7.985 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.477 3.163 7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.103 4.452 10.078 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.021 4.791 8.591 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.867 4.220 10.049 1.00 0.00 H new ATOM 1610 N ASP A 108 -7.125 4.441 9.673 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.687 5.785 9.599 1.00 0.00 C ATOM 1612 C ASP A 108 -6.628 6.834 9.922 1.00 0.00 C ATOM 1613 O ASP A 108 -5.823 6.659 10.836 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.867 5.921 10.562 1.00 0.00 C ATOM 1615 CG ASP A 108 -8.496 5.563 11.988 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -8.182 4.381 12.239 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -8.520 6.464 12.852 1.00 0.00 O ATOM 0 H ASP A 108 -6.923 4.120 10.620 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.039 5.950 8.581 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.240 6.945 10.533 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.680 5.276 10.229 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.633 7.926 9.163 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.667 8.987 9.382 1.00 0.00 C ATOM 1624 C GLY A 109 -4.477 8.890 8.450 1.00 0.00 C ATOM 1625 O GLY A 109 -4.075 7.795 8.057 1.00 0.00 O ATOM 0 H GLY A 109 -7.289 8.095 8.400 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.155 9.952 9.244 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.320 8.950 10.415 1.00 0.00 H new ATOM 1629 N ALA A 110 -3.911 10.038 8.093 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.759 10.078 7.201 1.00 0.00 C ATOM 1631 C ALA A 110 -1.499 9.592 7.909 1.00 0.00 C ATOM 1632 O ALA A 110 -0.871 10.338 8.661 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.555 11.487 6.664 1.00 0.00 C ATOM 0 H ALA A 110 -4.232 10.953 8.408 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.956 9.407 6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.691 11.502 5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.442 11.798 6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.385 12.172 7.495 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.135 8.337 7.666 1.00 0.00 N ATOM 1640 CA HIS A 111 0.051 7.752 8.281 1.00 0.00 C ATOM 1641 C HIS A 111 0.959 7.128 7.226 1.00 0.00 C ATOM 1642 O HIS A 111 0.570 6.184 6.538 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.352 6.698 9.313 1.00 0.00 C ATOM 1644 CG HIS A 111 -1.000 7.272 10.535 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -0.399 8.229 11.326 1.00 0.00 N ATOM 1646 CD2 HIS A 111 -2.204 7.021 11.099 1.00 0.00 C ATOM 1647 CE1 HIS A 111 -1.206 8.540 12.325 1.00 0.00 C ATOM 1648 NE2 HIS A 111 -2.308 7.821 12.210 1.00 0.00 N ATOM 0 H HIS A 111 -1.644 7.706 7.048 1.00 0.00 H new ATOM 0 HA HIS A 111 0.601 8.549 8.782 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.037 5.989 8.848 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.533 6.137 9.611 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -2.945 6.322 10.742 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.000 9.260 13.103 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.107 7.855 12.844 1.00 0.00 H new ATOM 1657 N ALA A 112 2.170 7.661 7.103 1.00 0.00 N ATOM 1658 CA ALA A 112 3.133 7.156 6.133 1.00 0.00 C ATOM 1659 C ALA A 112 3.655 5.783 6.542 1.00 0.00 C ATOM 1660 O ALA A 112 3.516 4.798 5.816 1.00 0.00 O ATOM 1661 CB ALA A 112 4.287 8.135 5.975 1.00 0.00 C ATOM 0 H ALA A 112 2.508 8.443 7.664 1.00 0.00 H new ATOM 0 HA ALA A 112 2.625 7.053 5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.998 7.744 5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.905 9.095 5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.786 8.267 6.935 1.00 0.00 H new ATOM 1667 N PRO A 113 4.271 5.713 7.731 1.00 0.00 N ATOM 1668 CA PRO A 113 4.826 4.465 8.263 1.00 0.00 C ATOM 1669 C PRO A 113 3.741 3.469 8.657 1.00 0.00 C ATOM 1670 O PRO A 113 3.807 2.293 8.301 1.00 0.00 O ATOM 1671 CB PRO A 113 5.606 4.922 9.499 1.00 0.00 C ATOM 1672 CG PRO A 113 4.945 6.190 9.916 1.00 0.00 C ATOM 1673 CD PRO A 113 4.472 6.847 8.649 1.00 0.00 C ATOM 0 HA PRO A 113 5.436 3.944 7.525 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.565 4.175 10.292 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.659 5.082 9.266 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.110 5.992 10.588 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.641 6.834 10.453 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.549 7.405 8.806 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.209 7.551 8.262 1.00 0.00 H new ATOM 1681 N GLU A 114 2.743 3.948 9.393 1.00 0.00 N ATOM 1682 CA GLU A 114 1.643 3.098 9.834 1.00 0.00 C ATOM 1683 C GLU A 114 1.030 2.346 8.656 1.00 0.00 C ATOM 1684 O GLU A 114 0.746 1.151 8.747 1.00 0.00 O ATOM 1685 CB GLU A 114 0.571 3.935 10.534 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.190 3.176 11.608 1.00 0.00 C ATOM 1687 CD GLU A 114 0.712 2.684 12.724 1.00 0.00 C ATOM 1688 OE1 GLU A 114 1.259 1.568 12.597 1.00 0.00 O ATOM 1689 OE2 GLU A 114 0.871 3.416 13.723 1.00 0.00 O ATOM 0 H GLU A 114 2.674 4.919 9.696 1.00 0.00 H new ATOM 0 HA GLU A 114 2.041 2.369 10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.041 4.810 10.983 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.136 4.300 9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.961 3.822 12.027 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.699 2.325 11.155 1.00 0.00 H new ATOM 1696 N LEU A 115 0.827 3.055 7.551 1.00 0.00 N ATOM 1697 CA LEU A 115 0.246 2.457 6.354 1.00 0.00 C ATOM 1698 C LEU A 115 1.043 1.233 5.916 1.00 0.00 C ATOM 1699 O LEU A 115 0.506 0.129 5.822 1.00 0.00 O ATOM 1700 CB LEU A 115 0.198 3.482 5.220 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.441 3.008 3.914 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -1.882 2.583 4.149 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.371 4.102 2.858 1.00 0.00 C ATOM 0 H LEU A 115 1.056 4.045 7.459 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.770 2.140 6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.348 4.358 5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.217 3.806 5.006 1.00 0.00 H new ATOM 0 HG LEU A 115 0.117 2.145 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.321 2.249 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.908 1.767 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.452 3.428 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.830 3.747 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.904 4.984 3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.671 4.359 2.669 1.00 0.00 H new ATOM 1715 N THR A 116 2.330 1.435 5.650 1.00 0.00 N ATOM 1716 CA THR A 116 3.202 0.348 5.223 1.00 0.00 C ATOM 1717 C THR A 116 3.058 -0.864 6.135 1.00 0.00 C ATOM 1718 O THR A 116 2.683 -1.949 5.690 1.00 0.00 O ATOM 1719 CB THR A 116 4.679 0.788 5.202 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.842 1.916 4.335 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.576 -0.349 4.737 1.00 0.00 C ATOM 0 H THR A 116 2.791 2.342 5.723 1.00 0.00 H new ATOM 0 HA THR A 116 2.896 0.077 4.213 1.00 0.00 H new ATOM 0 HB THR A 116 4.967 1.065 6.216 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.783 2.190 4.329 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.613 -0.015 4.730 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.472 -1.195 5.416 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.286 -0.653 3.731 1.00 0.00 H new ATOM 1729 N LYS A 117 3.357 -0.674 7.416 1.00 0.00 N ATOM 1730 CA LYS A 117 3.259 -1.751 8.393 1.00 0.00 C ATOM 1731 C LYS A 117 2.095 -2.681 8.064 1.00 0.00 C ATOM 1732 O LYS A 117 2.296 -3.842 7.708 1.00 0.00 O ATOM 1733 CB LYS A 117 3.083 -1.176 9.801 1.00 0.00 C ATOM 1734 CG LYS A 117 4.260 -0.337 10.267 1.00 0.00 C ATOM 1735 CD LYS A 117 4.152 0.005 11.743 1.00 0.00 C ATOM 1736 CE LYS A 117 4.990 1.224 12.096 1.00 0.00 C ATOM 1737 NZ LYS A 117 6.449 0.937 12.012 1.00 0.00 N ATOM 0 H LYS A 117 3.670 0.217 7.801 1.00 0.00 H new ATOM 0 HA LYS A 117 4.184 -2.327 8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.180 -0.565 9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.932 -1.996 10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.188 -0.878 10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.307 0.582 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.109 0.193 11.999 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.478 -0.847 12.340 1.00 0.00 H new ATOM 0 HE2 LYS A 117 4.742 2.043 11.421 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.742 1.555 13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.986 1.793 12.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 6.691 0.172 12.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.690 0.645 11.043 1.00 0.00 H new ATOM 1751 N LYS A 118 0.878 -2.162 8.182 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.319 -2.944 7.894 1.00 0.00 C ATOM 1753 C LYS A 118 -0.229 -3.588 6.514 1.00 0.00 C ATOM 1754 O LYS A 118 -0.467 -4.786 6.361 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.564 -2.057 7.975 1.00 0.00 C ATOM 1756 CG LYS A 118 -2.028 -1.789 9.396 1.00 0.00 C ATOM 1757 CD LYS A 118 -3.153 -0.768 9.431 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.435 -0.299 10.850 1.00 0.00 C ATOM 1759 NZ LYS A 118 -2.267 0.409 11.443 1.00 0.00 N ATOM 0 H LYS A 118 0.694 -1.203 8.475 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.395 -3.735 8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.355 -1.106 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.374 -2.531 7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.366 -2.720 9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -1.189 -1.429 9.992 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.889 0.088 8.809 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.056 -1.205 9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.299 0.365 10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.693 -1.157 11.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -1.922 -0.122 12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -1.508 0.480 10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -2.554 1.363 11.740 1.00 0.00 H new ATOM 1773 N VAL A 119 0.118 -2.785 5.513 1.00 0.00 N ATOM 1774 CA VAL A 119 0.242 -3.278 4.146 1.00 0.00 C ATOM 1775 C VAL A 119 1.127 -4.518 4.087 1.00 0.00 C ATOM 1776 O VAL A 119 0.667 -5.603 3.731 1.00 0.00 O ATOM 1777 CB VAL A 119 0.825 -2.200 3.212 1.00 0.00 C ATOM 1778 CG1 VAL A 119 1.027 -2.760 1.812 1.00 0.00 C ATOM 1779 CG2 VAL A 119 -0.079 -0.977 3.181 1.00 0.00 C ATOM 0 H VAL A 119 0.318 -1.791 5.623 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.762 -3.536 3.810 1.00 0.00 H new ATOM 0 HB VAL A 119 1.797 -1.895 3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.439 -1.985 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.717 -3.603 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.070 -3.094 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.348 -0.226 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.066 -1.263 2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.167 -0.564 4.186 1.00 0.00 H new ATOM 1789 N GLN A 120 2.397 -4.350 4.439 1.00 0.00 N ATOM 1790 CA GLN A 120 3.346 -5.456 4.426 1.00 0.00 C ATOM 1791 C GLN A 120 2.779 -6.669 5.157 1.00 0.00 C ATOM 1792 O GLN A 120 2.665 -7.753 4.586 1.00 0.00 O ATOM 1793 CB GLN A 120 4.667 -5.031 5.069 1.00 0.00 C ATOM 1794 CG GLN A 120 5.285 -3.797 4.430 1.00 0.00 C ATOM 1795 CD GLN A 120 6.568 -3.367 5.113 1.00 0.00 C ATOM 1796 OE1 GLN A 120 6.843 -3.760 6.247 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.363 -2.556 4.424 1.00 0.00 N ATOM 0 H GLN A 120 2.793 -3.458 4.737 1.00 0.00 H new ATOM 0 HA GLN A 120 3.528 -5.732 3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.500 -4.836 6.128 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.375 -5.857 5.004 1.00 0.00 H new ATOM 0 HG2 GLN A 120 5.488 -4.000 3.378 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.568 -2.977 4.464 1.00 0.00 H new ATOM 0 HE21 GLN A 120 7.096 -2.255 3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.241 -2.234 4.832 1.00 0.00 H new ATOM 1806 N ARG A 121 2.425 -6.478 6.424 1.00 0.00 N ATOM 1807 CA ARG A 121 1.871 -7.556 7.234 1.00 0.00 C ATOM 1808 C ARG A 121 0.789 -8.310 6.467 1.00 0.00 C ATOM 1809 O ARG A 121 0.905 -9.513 6.230 1.00 0.00 O ATOM 1810 CB ARG A 121 1.294 -7.000 8.537 1.00 0.00 C ATOM 1811 CG ARG A 121 0.786 -8.073 9.485 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.673 -8.408 9.216 1.00 0.00 C ATOM 1813 NE ARG A 121 -1.010 -9.765 9.638 1.00 0.00 N ATOM 1814 CZ ARG A 121 -1.355 -10.084 10.881 1.00 0.00 C ATOM 1815 NH1 ARG A 121 -1.408 -9.148 11.818 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -1.647 -11.341 11.188 1.00 0.00 N ATOM 0 H ARG A 121 2.512 -5.586 6.912 1.00 0.00 H new ATOM 0 HA ARG A 121 2.677 -8.251 7.470 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.061 -6.414 9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.476 -6.319 8.301 1.00 0.00 H new ATOM 0 HG2 ARG A 121 1.393 -8.972 9.377 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.899 -7.734 10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.311 -7.696 9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.880 -8.298 8.152 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.979 -10.509 8.940 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.184 -8.180 11.586 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.673 -9.395 12.771 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.607 -12.064 10.470 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.912 -11.585 12.142 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.264 -7.596 6.082 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.368 -8.198 5.342 1.00 0.00 C ATOM 1832 C HIS A 122 -0.895 -8.715 3.987 1.00 0.00 C ATOM 1833 O HIS A 122 -1.512 -9.605 3.402 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.494 -7.182 5.149 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.054 -6.657 6.435 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.450 -7.474 7.473 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.283 -5.389 6.849 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -3.899 -6.732 8.468 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.808 -5.462 8.115 1.00 0.00 N ATOM 0 H HIS A 122 -0.376 -6.600 6.270 1.00 0.00 H new ATOM 0 HA HIS A 122 -1.745 -9.041 5.921 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.121 -6.346 4.557 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.296 -7.646 4.575 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -3.403 -8.493 7.472 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -3.089 -4.487 6.287 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.277 -7.100 9.410 1.00 0.00 H new ATOM 1848 N ALA A 123 0.202 -8.150 3.494 1.00 0.00 N ATOM 1849 CA ALA A 123 0.758 -8.555 2.208 1.00 0.00 C ATOM 1850 C ALA A 123 1.651 -9.782 2.358 1.00 0.00 C ATOM 1851 O ALA A 123 2.528 -10.028 1.530 1.00 0.00 O ATOM 1852 CB ALA A 123 1.536 -7.406 1.584 1.00 0.00 C ATOM 0 H ALA A 123 0.723 -7.411 3.965 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.069 -8.819 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.945 -7.722 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.871 -6.556 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.350 -7.115 2.248 1.00 0.00 H new