USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 915 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 112 MET CE :methyl -141:sc= -0.517 (180deg=-2.21) USER MOD Set 1.2: A 113 MET CE :methyl 165:sc= -0.279 (180deg=-0.618) USER MOD Set 2.1: A 65 ASN : amide:sc= 0.961 K(o=0.77,f=-0.6) USER MOD Set 2.2: A 105 SER OG : rot 180:sc= -0.194 USER MOD Set 3.1: A 31 ASN : amide:sc= -3.8! C(o=-3!,f=-5.7!) USER MOD Set 3.2: A 106 TYR OH : rot 6:sc= 0.851 USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= 2.5 (180deg=1.45) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.35 F(o=-4.7!,f=-1.4) USER MOD Single : A 23 GLN :FLIP amide:sc= -3.24! C(o=-4.3!,f=-3.2!) USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= 1.27 (180deg=1.02) USER MOD Single : A 33 GLN :FLIP amide:sc= -2.76! C(o=-4.3!,f=-2.8!) USER MOD Single : A 39 LYS NZ :NH3+ 141:sc= -0.923 (180deg=-3.05!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -19:sc= 0.925 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= 1.02 (180deg=0.163!) USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= 0.761 (180deg=0.282) USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 2.35 (180deg=2.28) USER MOD Single : A 57 TYR OH : rot -154:sc= 1.29 USER MOD Single : A 58 MET CE :methyl 165:sc= -0.158 (180deg=-0.781) USER MOD Single : A 63 ASN : amide:sc= 1.3 K(o=1.3,f=0) USER MOD Single : A 71 MET CE :methyl 155:sc= -0.25 (180deg=-1.14) USER MOD Single : A 72 SER OG : rot -141:sc= 0.118 USER MOD Single : A 74 LYS NZ :NH3+ -158:sc= 1.18 (180deg=0.399) USER MOD Single : A 76 MET CE :methyl -160:sc= -0.53 (180deg=-1.53) USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= -0.0356 (180deg=-0.248) USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.112) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -173:sc= 0.777 (180deg=0.738) USER MOD Single : A 97 SER OG : rot -130:sc= 1.26 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 165:sc= 1.49 (180deg=1.14) USER MOD Single : A 123 MET CE :methyl -174:sc= 0 (180deg=-0.0703) USER MOD Single : A 126 MET CE :methyl 146:sc= -2.46! (180deg=-5.85!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 245 N LEU A 18 10.350 4.390 -8.850 1.00 44.23 N ATOM 246 CA LEU A 18 11.198 3.241 -9.188 1.00 61.44 C ATOM 247 C LEU A 18 10.519 1.903 -8.881 1.00 42.31 C ATOM 248 O LEU A 18 10.496 0.998 -9.730 1.00 44.35 O ATOM 249 CB LEU A 18 12.599 3.323 -8.543 1.00 21.44 C ATOM 250 CG LEU A 18 13.636 4.275 -9.198 1.00 74.12 C ATOM 251 CD1 LEU A 18 13.872 3.907 -10.649 1.00 11.02 C ATOM 252 CD2 LEU A 18 13.243 5.732 -9.080 1.00 72.15 C ATOM 0 HA LEU A 18 11.343 3.289 -10.267 1.00 61.44 H new ATOM 0 HB2 LEU A 18 12.473 3.627 -7.504 1.00 21.44 H new ATOM 0 HB3 LEU A 18 13.024 2.319 -8.533 1.00 21.44 H new ATOM 0 HG LEU A 18 14.567 4.146 -8.646 1.00 74.12 H new ATOM 0 HD11 LEU A 18 14.602 4.590 -11.083 1.00 11.02 H new ATOM 0 HD12 LEU A 18 14.249 2.886 -10.709 1.00 11.02 H new ATOM 0 HD13 LEU A 18 12.934 3.980 -11.200 1.00 11.02 H new ATOM 0 HD21 LEU A 18 14.003 6.353 -9.554 1.00 72.15 H new ATOM 0 HD22 LEU A 18 12.284 5.891 -9.573 1.00 72.15 H new ATOM 0 HD23 LEU A 18 13.159 6.002 -8.027 1.00 72.15 H new ATOM 264 N LEU A 19 9.946 1.790 -7.703 1.00 14.50 N ATOM 265 CA LEU A 19 9.248 0.578 -7.315 1.00 2.42 C ATOM 266 C LEU A 19 7.941 0.427 -8.062 1.00 41.12 C ATOM 267 O LEU A 19 7.644 -0.643 -8.573 1.00 61.42 O ATOM 268 CB LEU A 19 9.088 0.491 -5.800 1.00 52.04 C ATOM 269 CG LEU A 19 10.375 0.141 -5.041 1.00 42.40 C ATOM 270 CD1 LEU A 19 10.204 0.375 -3.573 1.00 35.43 C ATOM 271 CD2 LEU A 19 10.716 -1.321 -5.262 1.00 62.44 C ATOM 0 H LEU A 19 9.948 2.523 -6.994 1.00 14.50 H new ATOM 0 HA LEU A 19 9.861 -0.275 -7.606 1.00 2.42 H new ATOM 0 HB2 LEU A 19 8.713 1.446 -5.432 1.00 52.04 H new ATOM 0 HB3 LEU A 19 8.331 -0.259 -5.570 1.00 52.04 H new ATOM 0 HG LEU A 19 11.176 0.778 -5.416 1.00 42.40 H new ATOM 0 HD11 LEU A 19 11.128 0.121 -3.054 1.00 35.43 H new ATOM 0 HD12 LEU A 19 9.966 1.424 -3.397 1.00 35.43 H new ATOM 0 HD13 LEU A 19 9.393 -0.249 -3.197 1.00 35.43 H new ATOM 0 HD21 LEU A 19 11.630 -1.567 -4.722 1.00 62.44 H new ATOM 0 HD22 LEU A 19 9.900 -1.944 -4.897 1.00 62.44 H new ATOM 0 HD23 LEU A 19 10.863 -1.503 -6.327 1.00 62.44 H new ATOM 283 N LYS A 20 7.193 1.510 -8.164 1.00 34.33 N ATOM 284 CA LYS A 20 5.961 1.537 -8.934 1.00 14.22 C ATOM 285 C LYS A 20 6.198 1.032 -10.341 1.00 22.01 C ATOM 286 O LYS A 20 5.563 0.083 -10.753 1.00 1.51 O ATOM 287 CB LYS A 20 5.352 2.964 -8.944 1.00 42.00 C ATOM 288 CG LYS A 20 4.254 3.210 -9.991 1.00 24.44 C ATOM 289 CD LYS A 20 3.645 4.599 -9.830 1.00 30.01 C ATOM 290 CE LYS A 20 2.796 5.027 -11.040 1.00 41.00 C ATOM 291 NZ LYS A 20 1.732 4.060 -11.410 1.00 74.14 N ATOM 0 H LYS A 20 7.422 2.397 -7.715 1.00 34.33 H new ATOM 0 HA LYS A 20 5.242 0.871 -8.457 1.00 14.22 H new ATOM 0 HB2 LYS A 20 4.940 3.171 -7.956 1.00 42.00 H new ATOM 0 HB3 LYS A 20 6.155 3.681 -9.111 1.00 42.00 H new ATOM 0 HG2 LYS A 20 4.672 3.106 -10.992 1.00 24.44 H new ATOM 0 HG3 LYS A 20 3.475 2.454 -9.891 1.00 24.44 H new ATOM 0 HD2 LYS A 20 3.025 4.616 -8.934 1.00 30.01 H new ATOM 0 HD3 LYS A 20 4.444 5.325 -9.679 1.00 30.01 H new ATOM 0 HE2 LYS A 20 2.336 5.991 -10.824 1.00 41.00 H new ATOM 0 HE3 LYS A 20 3.453 5.173 -11.897 1.00 41.00 H new ATOM 0 HZ1 LYS A 20 0.945 4.566 -11.864 1.00 74.14 H new ATOM 0 HZ2 LYS A 20 2.118 3.356 -12.071 1.00 74.14 H new ATOM 0 HZ3 LYS A 20 1.387 3.579 -10.555 1.00 74.14 H new ATOM 305 N ALA A 21 7.179 1.615 -11.018 1.00 54.51 N ATOM 306 CA ALA A 21 7.482 1.308 -12.420 1.00 41.10 C ATOM 307 C ALA A 21 7.628 -0.176 -12.671 1.00 70.41 C ATOM 308 O ALA A 21 7.073 -0.698 -13.618 1.00 13.23 O ATOM 309 CB ALA A 21 8.732 2.035 -12.876 1.00 12.54 C ATOM 0 H ALA A 21 7.794 2.320 -10.612 1.00 54.51 H new ATOM 0 HA ALA A 21 6.630 1.657 -13.003 1.00 41.10 H new ATOM 0 HB1 ALA A 21 8.935 1.791 -13.919 1.00 12.54 H new ATOM 0 HB2 ALA A 21 8.584 3.110 -12.778 1.00 12.54 H new ATOM 0 HB3 ALA A 21 9.577 1.727 -12.260 1.00 12.54 H new ATOM 315 N GLN A 22 8.381 -0.856 -11.844 1.00 1.34 N ATOM 316 CA GLN A 22 8.552 -2.268 -12.034 1.00 11.24 C ATOM 317 C GLN A 22 7.366 -3.129 -11.571 1.00 22.10 C ATOM 318 O GLN A 22 7.114 -4.204 -12.128 1.00 2.23 O ATOM 319 CB GLN A 22 9.946 -2.785 -11.619 1.00 21.41 C ATOM 320 CG GLN A 22 10.413 -2.516 -10.205 1.00 50.35 C ATOM 321 CD GLN A 22 9.694 -3.322 -9.147 1.00 23.40 C ATOM 322 OE1 GLN A 22 9.650 -2.805 -7.969 1.00 14.53 O flip ATOM 323 NE2 GLN A 22 9.224 -4.431 -9.395 1.00 54.52 N flip ATOM 0 H GLN A 22 8.877 -0.460 -11.046 1.00 1.34 H new ATOM 0 HA GLN A 22 8.533 -2.405 -13.115 1.00 11.24 H new ATOM 0 HB2 GLN A 22 9.962 -3.863 -11.776 1.00 21.41 H new ATOM 0 HB3 GLN A 22 10.679 -2.352 -12.300 1.00 21.41 H new ATOM 0 HG2 GLN A 22 11.481 -2.726 -10.142 1.00 50.35 H new ATOM 0 HG3 GLN A 22 10.283 -1.456 -9.988 1.00 50.35 H new ATOM 0 HE21 GLN A 22 9.278 -4.808 -10.341 1.00 54.52 H new ATOM 0 HE22 GLN A 22 8.780 -4.974 -8.654 1.00 54.52 H new ATOM 332 N GLN A 23 6.631 -2.655 -10.574 1.00 51.13 N ATOM 333 CA GLN A 23 5.516 -3.424 -10.010 1.00 31.25 C ATOM 334 C GLN A 23 4.216 -3.299 -10.813 1.00 24.04 C ATOM 335 O GLN A 23 3.384 -4.189 -10.741 1.00 71.24 O ATOM 336 CB GLN A 23 5.239 -3.036 -8.554 1.00 13.24 C ATOM 337 CG GLN A 23 6.410 -3.241 -7.615 1.00 1.32 C ATOM 338 CD GLN A 23 6.096 -2.876 -6.176 1.00 65.30 C ATOM 339 OE1 GLN A 23 4.876 -3.086 -5.767 1.00 24.34 O flip ATOM 340 NE2 GLN A 23 6.966 -2.446 -5.428 1.00 43.34 N flip ATOM 0 H GLN A 23 6.781 -1.746 -10.137 1.00 51.13 H new ATOM 0 HA GLN A 23 5.841 -4.463 -10.061 1.00 31.25 H new ATOM 0 HB2 GLN A 23 4.942 -1.988 -8.521 1.00 13.24 H new ATOM 0 HB3 GLN A 23 4.392 -3.618 -8.191 1.00 13.24 H new ATOM 0 HG2 GLN A 23 6.723 -4.284 -7.658 1.00 1.32 H new ATOM 0 HG3 GLN A 23 7.252 -2.641 -7.959 1.00 1.32 H new ATOM 0 HE21 GLN A 23 7.911 -2.293 -5.780 1.00 43.34 H new ATOM 0 HE22 GLN A 23 6.745 -2.241 -4.453 1.00 43.34 H new ATOM 349 N GLU A 24 4.056 -2.206 -11.570 1.00 43.34 N ATOM 350 CA GLU A 24 2.797 -1.918 -12.329 1.00 54.12 C ATOM 351 C GLU A 24 2.314 -3.101 -13.151 1.00 31.40 C ATOM 352 O GLU A 24 1.162 -3.526 -13.024 1.00 10.33 O ATOM 353 CB GLU A 24 2.976 -0.703 -13.241 1.00 21.13 C ATOM 354 CG GLU A 24 3.315 0.557 -12.494 1.00 32.14 C ATOM 355 CD GLU A 24 3.577 1.730 -13.380 1.00 52.52 C ATOM 356 OE1 GLU A 24 4.621 1.761 -14.064 1.00 62.21 O ATOM 357 OE2 GLU A 24 2.762 2.650 -13.401 1.00 2.11 O ATOM 0 H GLU A 24 4.777 -1.494 -11.684 1.00 43.34 H new ATOM 0 HA GLU A 24 2.035 -1.708 -11.578 1.00 54.12 H new ATOM 0 HB2 GLU A 24 3.765 -0.913 -13.963 1.00 21.13 H new ATOM 0 HB3 GLU A 24 2.059 -0.545 -13.808 1.00 21.13 H new ATOM 0 HG2 GLU A 24 2.495 0.800 -11.818 1.00 32.14 H new ATOM 0 HG3 GLU A 24 4.194 0.377 -11.876 1.00 32.14 H new ATOM 364 N GLU A 25 3.196 -3.645 -13.956 1.00 54.12 N ATOM 365 CA GLU A 25 2.860 -4.745 -14.829 1.00 1.12 C ATOM 366 C GLU A 25 2.450 -5.980 -14.010 1.00 13.41 C ATOM 367 O GLU A 25 1.570 -6.745 -14.413 1.00 0.23 O ATOM 368 CB GLU A 25 4.034 -5.072 -15.739 1.00 74.42 C ATOM 369 CG GLU A 25 3.684 -6.005 -16.852 1.00 54.23 C ATOM 370 CD GLU A 25 4.854 -6.398 -17.681 1.00 50.10 C ATOM 371 OE1 GLU A 25 5.403 -5.547 -18.400 1.00 3.03 O ATOM 372 OE2 GLU A 25 5.228 -7.584 -17.641 1.00 32.03 O ATOM 0 H GLU A 25 4.166 -3.338 -14.024 1.00 54.12 H new ATOM 0 HA GLU A 25 2.013 -4.450 -15.448 1.00 1.12 H new ATOM 0 HB2 GLU A 25 4.425 -4.146 -16.161 1.00 74.42 H new ATOM 0 HB3 GLU A 25 4.833 -5.513 -15.143 1.00 74.42 H new ATOM 0 HG2 GLU A 25 3.226 -6.902 -16.434 1.00 54.23 H new ATOM 0 HG3 GLU A 25 2.937 -5.533 -17.491 1.00 54.23 H new ATOM 379 N ARG A 26 3.082 -6.157 -12.847 1.00 2.12 N ATOM 380 CA ARG A 26 2.752 -7.274 -11.977 1.00 73.25 C ATOM 381 C ARG A 26 1.372 -7.057 -11.368 1.00 71.32 C ATOM 382 O ARG A 26 0.588 -7.974 -11.248 1.00 52.51 O ATOM 383 CB ARG A 26 3.789 -7.466 -10.851 1.00 25.41 C ATOM 384 CG ARG A 26 3.462 -8.655 -9.942 1.00 12.21 C ATOM 385 CD ARG A 26 4.439 -8.812 -8.780 1.00 34.11 C ATOM 386 NE ARG A 26 4.100 -9.993 -7.957 1.00 11.32 N ATOM 387 CZ ARG A 26 4.513 -10.227 -6.692 1.00 42.15 C ATOM 388 NH1 ARG A 26 5.268 -9.340 -6.048 1.00 61.34 N ATOM 389 NH2 ARG A 26 4.160 -11.349 -6.081 1.00 35.01 N ATOM 0 H ARG A 26 3.817 -5.544 -12.494 1.00 2.12 H new ATOM 0 HA ARG A 26 2.759 -8.177 -12.587 1.00 73.25 H new ATOM 0 HB2 ARG A 26 4.775 -7.612 -11.292 1.00 25.41 H new ATOM 0 HB3 ARG A 26 3.839 -6.558 -10.250 1.00 25.41 H new ATOM 0 HG2 ARG A 26 2.454 -8.535 -9.546 1.00 12.21 H new ATOM 0 HG3 ARG A 26 3.464 -9.569 -10.536 1.00 12.21 H new ATOM 0 HD2 ARG A 26 5.454 -8.912 -9.165 1.00 34.11 H new ATOM 0 HD3 ARG A 26 4.420 -7.915 -8.161 1.00 34.11 H new ATOM 0 HE ARG A 26 3.498 -10.697 -8.384 1.00 11.32 H new ATOM 0 HH11 ARG A 26 5.541 -8.472 -6.509 1.00 61.34 H new ATOM 0 HH12 ARG A 26 5.574 -9.528 -5.093 1.00 61.34 H new ATOM 0 HH21 ARG A 26 3.578 -12.032 -6.566 1.00 35.01 H new ATOM 0 HH22 ARG A 26 4.470 -11.529 -5.126 1.00 35.01 H new ATOM 403 N LEU A 27 1.086 -5.826 -11.007 1.00 73.11 N ATOM 404 CA LEU A 27 -0.187 -5.475 -10.397 1.00 42.33 C ATOM 405 C LEU A 27 -1.334 -5.804 -11.340 1.00 41.12 C ATOM 406 O LEU A 27 -2.299 -6.475 -10.958 1.00 63.51 O ATOM 407 CB LEU A 27 -0.207 -3.993 -10.025 1.00 33.15 C ATOM 408 CG LEU A 27 0.893 -3.529 -9.068 1.00 22.51 C ATOM 409 CD1 LEU A 27 0.780 -2.048 -8.809 1.00 54.42 C ATOM 410 CD2 LEU A 27 0.813 -4.279 -7.768 1.00 73.21 C ATOM 0 H LEU A 27 1.724 -5.039 -11.125 1.00 73.11 H new ATOM 0 HA LEU A 27 -0.310 -6.061 -9.486 1.00 42.33 H new ATOM 0 HB2 LEU A 27 -0.135 -3.407 -10.941 1.00 33.15 H new ATOM 0 HB3 LEU A 27 -1.173 -3.764 -9.575 1.00 33.15 H new ATOM 0 HG LEU A 27 1.856 -3.734 -9.536 1.00 22.51 H new ATOM 0 HD11 LEU A 27 1.571 -1.737 -8.126 1.00 54.42 H new ATOM 0 HD12 LEU A 27 0.878 -1.506 -9.749 1.00 54.42 H new ATOM 0 HD13 LEU A 27 -0.191 -1.830 -8.364 1.00 54.42 H new ATOM 0 HD21 LEU A 27 1.603 -3.935 -7.100 1.00 73.21 H new ATOM 0 HD22 LEU A 27 -0.157 -4.101 -7.304 1.00 73.21 H new ATOM 0 HD23 LEU A 27 0.935 -5.346 -7.955 1.00 73.21 H new ATOM 422 N ASP A 28 -1.204 -5.369 -12.580 1.00 64.13 N ATOM 423 CA ASP A 28 -2.209 -5.649 -13.589 1.00 31.23 C ATOM 424 C ASP A 28 -2.341 -7.138 -13.912 1.00 13.21 C ATOM 425 O ASP A 28 -3.437 -7.601 -14.260 1.00 44.41 O ATOM 426 CB ASP A 28 -2.046 -4.790 -14.866 1.00 44.40 C ATOM 427 CG ASP A 28 -2.623 -3.381 -14.728 1.00 24.41 C ATOM 428 OD1 ASP A 28 -3.837 -3.235 -14.900 1.00 0.33 O ATOM 429 OD2 ASP A 28 -1.889 -2.408 -14.452 1.00 53.00 O ATOM 0 H ASP A 28 -0.411 -4.820 -12.913 1.00 64.13 H new ATOM 0 HA ASP A 28 -3.154 -5.349 -13.136 1.00 31.23 H new ATOM 0 HB2 ASP A 28 -0.987 -4.718 -15.114 1.00 44.40 H new ATOM 0 HB3 ASP A 28 -2.535 -5.295 -15.699 1.00 44.40 H new ATOM 434 N GLU A 29 -1.248 -7.915 -13.784 1.00 45.34 N ATOM 435 CA GLU A 29 -1.357 -9.355 -14.073 1.00 70.45 C ATOM 436 C GLU A 29 -2.088 -10.048 -12.942 1.00 40.33 C ATOM 437 O GLU A 29 -2.815 -11.026 -13.160 1.00 1.22 O ATOM 438 CB GLU A 29 -0.009 -10.053 -14.340 1.00 0.12 C ATOM 439 CG GLU A 29 0.853 -10.286 -13.129 1.00 73.12 C ATOM 440 CD GLU A 29 2.076 -11.075 -13.454 1.00 33.05 C ATOM 441 OE1 GLU A 29 1.941 -12.293 -13.762 1.00 51.54 O ATOM 442 OE2 GLU A 29 3.179 -10.535 -13.377 1.00 34.31 O ATOM 0 H GLU A 29 -0.324 -7.591 -13.497 1.00 45.34 H new ATOM 0 HA GLU A 29 -1.920 -9.436 -15.003 1.00 70.45 H new ATOM 0 HB2 GLU A 29 -0.206 -11.014 -14.814 1.00 0.12 H new ATOM 0 HB3 GLU A 29 0.555 -9.454 -15.055 1.00 0.12 H new ATOM 0 HG2 GLU A 29 1.144 -9.326 -12.702 1.00 73.12 H new ATOM 0 HG3 GLU A 29 0.275 -10.811 -12.369 1.00 73.12 H new ATOM 449 N ILE A 30 -1.905 -9.531 -11.733 1.00 71.23 N ATOM 450 CA ILE A 30 -2.557 -10.078 -10.577 1.00 32.22 C ATOM 451 C ILE A 30 -4.050 -9.799 -10.662 1.00 72.44 C ATOM 452 O ILE A 30 -4.875 -10.629 -10.275 1.00 55.33 O ATOM 453 CB ILE A 30 -1.943 -9.553 -9.240 1.00 32.34 C ATOM 454 CG1 ILE A 30 -0.456 -9.937 -9.157 1.00 22.24 C ATOM 455 CG2 ILE A 30 -2.682 -10.132 -8.050 1.00 63.21 C ATOM 456 CD1 ILE A 30 0.254 -9.429 -7.914 1.00 63.25 C ATOM 0 H ILE A 30 -1.305 -8.729 -11.540 1.00 71.23 H new ATOM 0 HA ILE A 30 -2.396 -11.156 -10.571 1.00 32.22 H new ATOM 0 HB ILE A 30 -2.040 -8.467 -9.221 1.00 32.34 H new ATOM 0 HG12 ILE A 30 -0.371 -11.023 -9.191 1.00 22.24 H new ATOM 0 HG13 ILE A 30 0.057 -9.550 -10.037 1.00 22.24 H new ATOM 0 HG21 ILE A 30 -2.240 -9.755 -7.128 1.00 63.21 H new ATOM 0 HG22 ILE A 30 -3.731 -9.839 -8.096 1.00 63.21 H new ATOM 0 HG23 ILE A 30 -2.608 -11.219 -8.069 1.00 63.21 H new ATOM 0 HD11 ILE A 30 1.297 -9.745 -7.936 1.00 63.25 H new ATOM 0 HD12 ILE A 30 0.205 -8.340 -7.886 1.00 63.25 H new ATOM 0 HD13 ILE A 30 -0.230 -9.837 -7.026 1.00 63.25 H new ATOM 468 N ASN A 31 -4.398 -8.650 -11.215 1.00 22.22 N ATOM 469 CA ASN A 31 -5.796 -8.330 -11.429 1.00 12.40 C ATOM 470 C ASN A 31 -6.425 -9.322 -12.375 1.00 5.35 C ATOM 471 O ASN A 31 -7.483 -9.864 -12.084 1.00 1.40 O ATOM 472 CB ASN A 31 -6.026 -6.893 -11.924 1.00 73.14 C ATOM 473 CG ASN A 31 -5.601 -5.844 -10.919 1.00 33.41 C ATOM 474 OD1 ASN A 31 -5.580 -6.093 -9.716 1.00 51.21 O ATOM 475 ND2 ASN A 31 -5.341 -4.654 -11.378 1.00 3.21 N ATOM 0 H ASN A 31 -3.741 -7.932 -11.520 1.00 22.22 H new ATOM 0 HA ASN A 31 -6.279 -8.399 -10.454 1.00 12.40 H new ATOM 0 HB2 ASN A 31 -5.475 -6.742 -12.852 1.00 73.14 H new ATOM 0 HB3 ASN A 31 -7.083 -6.759 -12.155 1.00 73.14 H new ATOM 0 HD21 ASN A 31 -5.112 -3.898 -10.733 1.00 3.21 H new ATOM 0 HD22 ASN A 31 -5.366 -4.478 -12.382 1.00 3.21 H new ATOM 482 N LYS A 32 -5.751 -9.598 -13.495 1.00 42.33 N ATOM 483 CA LYS A 32 -6.267 -10.562 -14.469 1.00 1.12 C ATOM 484 C LYS A 32 -6.418 -11.953 -13.918 1.00 53.15 C ATOM 485 O LYS A 32 -7.424 -12.599 -14.162 1.00 54.31 O ATOM 486 CB LYS A 32 -5.448 -10.632 -15.749 1.00 43.41 C ATOM 487 CG LYS A 32 -5.611 -9.461 -16.670 1.00 34.20 C ATOM 488 CD LYS A 32 -4.872 -9.677 -17.991 1.00 35.02 C ATOM 489 CE LYS A 32 -5.296 -10.983 -18.708 1.00 54.44 C ATOM 490 NZ LYS A 32 -6.763 -11.066 -18.975 1.00 32.40 N ATOM 0 H LYS A 32 -4.858 -9.174 -13.747 1.00 42.33 H new ATOM 0 HA LYS A 32 -7.256 -10.171 -14.707 1.00 1.12 H new ATOM 0 HB2 LYS A 32 -4.395 -10.723 -15.484 1.00 43.41 H new ATOM 0 HB3 LYS A 32 -5.721 -11.540 -16.288 1.00 43.41 H new ATOM 0 HG2 LYS A 32 -6.670 -9.297 -16.868 1.00 34.20 H new ATOM 0 HG3 LYS A 32 -5.234 -8.561 -16.185 1.00 34.20 H new ATOM 0 HD2 LYS A 32 -5.059 -8.829 -18.650 1.00 35.02 H new ATOM 0 HD3 LYS A 32 -3.799 -9.703 -17.802 1.00 35.02 H new ATOM 0 HE2 LYS A 32 -4.758 -11.061 -19.653 1.00 54.44 H new ATOM 0 HE3 LYS A 32 -4.997 -11.836 -18.099 1.00 54.44 H new ATOM 0 HZ1 LYS A 32 -6.924 -11.555 -19.878 1.00 32.40 H new ATOM 0 HZ2 LYS A 32 -7.226 -11.594 -18.208 1.00 32.40 H new ATOM 0 HZ3 LYS A 32 -7.162 -10.107 -19.025 1.00 32.40 H new ATOM 504 N GLN A 33 -5.433 -12.421 -13.183 1.00 63.44 N ATOM 505 CA GLN A 33 -5.469 -13.787 -12.684 1.00 41.22 C ATOM 506 C GLN A 33 -6.658 -14.000 -11.749 1.00 61.34 C ATOM 507 O GLN A 33 -7.280 -15.048 -11.775 1.00 25.42 O ATOM 508 CB GLN A 33 -4.119 -14.183 -12.061 1.00 41.12 C ATOM 509 CG GLN A 33 -3.743 -13.423 -10.800 1.00 1.10 C ATOM 510 CD GLN A 33 -2.257 -13.475 -10.486 1.00 74.31 C ATOM 511 OE1 GLN A 33 -1.445 -13.479 -11.511 1.00 61.41 O flip ATOM 512 NE2 GLN A 33 -1.847 -13.454 -9.322 1.00 5.24 N flip ATOM 0 H GLN A 33 -4.605 -11.887 -12.918 1.00 63.44 H new ATOM 0 HA GLN A 33 -5.623 -14.463 -13.525 1.00 41.22 H new ATOM 0 HB2 GLN A 33 -4.141 -15.248 -11.831 1.00 41.12 H new ATOM 0 HB3 GLN A 33 -3.336 -14.033 -12.804 1.00 41.12 H new ATOM 0 HG2 GLN A 33 -4.048 -12.382 -10.907 1.00 1.10 H new ATOM 0 HG3 GLN A 33 -4.300 -13.833 -9.957 1.00 1.10 H new ATOM 0 HE21 GLN A 33 -2.511 -13.452 -8.547 1.00 5.24 H new ATOM 0 HE22 GLN A 33 -0.844 -13.439 -9.135 1.00 5.24 H new ATOM 521 N PHE A 34 -6.967 -13.003 -10.933 1.00 53.44 N ATOM 522 CA PHE A 34 -8.167 -13.053 -10.117 1.00 21.43 C ATOM 523 C PHE A 34 -9.436 -12.842 -10.947 1.00 21.11 C ATOM 524 O PHE A 34 -10.394 -13.590 -10.828 1.00 33.51 O ATOM 525 CB PHE A 34 -8.107 -12.085 -8.929 1.00 24.44 C ATOM 526 CG PHE A 34 -7.163 -12.529 -7.842 1.00 2.13 C ATOM 527 CD1 PHE A 34 -7.594 -13.420 -6.881 1.00 61.21 C ATOM 528 CD2 PHE A 34 -5.865 -12.068 -7.781 1.00 10.13 C ATOM 529 CE1 PHE A 34 -6.749 -13.845 -5.877 1.00 72.10 C ATOM 530 CE2 PHE A 34 -5.011 -12.491 -6.779 1.00 31.45 C ATOM 531 CZ PHE A 34 -5.456 -13.379 -5.826 1.00 5.41 C ATOM 0 H PHE A 34 -6.408 -12.157 -10.820 1.00 53.44 H new ATOM 0 HA PHE A 34 -8.213 -14.061 -9.704 1.00 21.43 H new ATOM 0 HB2 PHE A 34 -7.801 -11.102 -9.286 1.00 24.44 H new ATOM 0 HB3 PHE A 34 -9.107 -11.975 -8.509 1.00 24.44 H new ATOM 0 HD1 PHE A 34 -8.608 -13.790 -6.915 1.00 61.21 H new ATOM 0 HD2 PHE A 34 -5.511 -11.369 -8.524 1.00 10.13 H new ATOM 0 HE1 PHE A 34 -7.102 -14.543 -5.132 1.00 72.10 H new ATOM 0 HE2 PHE A 34 -3.996 -12.125 -6.744 1.00 31.45 H new ATOM 0 HZ PHE A 34 -4.792 -13.709 -5.041 1.00 5.41 H new ATOM 541 N LEU A 35 -9.413 -11.838 -11.804 1.00 44.50 N ATOM 542 CA LEU A 35 -10.575 -11.449 -12.612 1.00 20.52 C ATOM 543 C LEU A 35 -11.021 -12.582 -13.532 1.00 3.30 C ATOM 544 O LEU A 35 -12.211 -12.928 -13.589 1.00 72.15 O ATOM 545 CB LEU A 35 -10.193 -10.187 -13.445 1.00 71.32 C ATOM 546 CG LEU A 35 -11.281 -9.408 -14.243 1.00 30.44 C ATOM 547 CD1 LEU A 35 -10.645 -8.195 -14.876 1.00 14.33 C ATOM 548 CD2 LEU A 35 -11.945 -10.243 -15.333 1.00 50.45 C ATOM 0 H LEU A 35 -8.588 -11.261 -11.967 1.00 44.50 H new ATOM 0 HA LEU A 35 -11.413 -11.226 -11.952 1.00 20.52 H new ATOM 0 HB2 LEU A 35 -9.727 -9.478 -12.760 1.00 71.32 H new ATOM 0 HB3 LEU A 35 -9.427 -10.492 -14.158 1.00 71.32 H new ATOM 0 HG LEU A 35 -12.061 -9.130 -13.534 1.00 30.44 H new ATOM 0 HD11 LEU A 35 -11.397 -7.641 -15.438 1.00 14.33 H new ATOM 0 HD12 LEU A 35 -10.229 -7.555 -14.098 1.00 14.33 H new ATOM 0 HD13 LEU A 35 -9.849 -8.512 -15.550 1.00 14.33 H new ATOM 0 HD21 LEU A 35 -12.692 -9.640 -15.849 1.00 50.45 H new ATOM 0 HD22 LEU A 35 -11.191 -10.576 -16.046 1.00 50.45 H new ATOM 0 HD23 LEU A 35 -12.427 -11.111 -14.883 1.00 50.45 H new ATOM 560 N ASP A 36 -10.082 -13.167 -14.215 1.00 11.41 N ATOM 561 CA ASP A 36 -10.374 -14.146 -15.238 1.00 33.15 C ATOM 562 C ASP A 36 -10.465 -15.554 -14.702 1.00 20.14 C ATOM 563 O ASP A 36 -10.623 -16.504 -15.477 1.00 53.04 O ATOM 564 CB ASP A 36 -9.343 -14.079 -16.375 1.00 23.42 C ATOM 565 CG ASP A 36 -9.388 -12.783 -17.166 1.00 73.24 C ATOM 566 OD1 ASP A 36 -10.330 -12.595 -17.981 1.00 20.31 O ATOM 567 OD2 ASP A 36 -8.466 -11.947 -17.028 1.00 12.11 O ATOM 0 H ASP A 36 -9.087 -12.983 -14.083 1.00 11.41 H new ATOM 0 HA ASP A 36 -11.359 -13.889 -15.629 1.00 33.15 H new ATOM 0 HB2 ASP A 36 -8.345 -14.204 -15.956 1.00 23.42 H new ATOM 0 HB3 ASP A 36 -9.510 -14.915 -17.054 1.00 23.42 H new ATOM 572 N ASP A 37 -10.406 -15.708 -13.405 1.00 2.14 N ATOM 573 CA ASP A 37 -10.461 -17.038 -12.823 1.00 60.32 C ATOM 574 C ASP A 37 -11.921 -17.475 -12.654 1.00 54.13 C ATOM 575 O ASP A 37 -12.757 -16.701 -12.154 1.00 24.21 O ATOM 576 CB ASP A 37 -9.741 -17.087 -11.477 1.00 40.53 C ATOM 577 CG ASP A 37 -9.574 -18.500 -10.951 1.00 32.22 C ATOM 578 OD1 ASP A 37 -10.572 -19.127 -10.557 1.00 75.12 O ATOM 579 OD2 ASP A 37 -8.414 -19.002 -10.919 1.00 51.52 O ATOM 0 H ASP A 37 -10.321 -14.945 -12.733 1.00 2.14 H new ATOM 0 HA ASP A 37 -9.953 -17.724 -13.501 1.00 60.32 H new ATOM 0 HB2 ASP A 37 -8.760 -16.623 -11.578 1.00 40.53 H new ATOM 0 HB3 ASP A 37 -10.299 -16.497 -10.750 1.00 40.53 H new ATOM 584 N PRO A 38 -12.251 -18.711 -13.089 1.00 23.14 N ATOM 585 CA PRO A 38 -13.610 -19.287 -13.001 1.00 64.33 C ATOM 586 C PRO A 38 -14.280 -19.189 -11.611 1.00 31.04 C ATOM 587 O PRO A 38 -15.509 -19.117 -11.531 1.00 51.21 O ATOM 588 CB PRO A 38 -13.393 -20.752 -13.373 1.00 42.22 C ATOM 589 CG PRO A 38 -12.229 -20.723 -14.286 1.00 71.34 C ATOM 590 CD PRO A 38 -11.321 -19.654 -13.753 1.00 74.33 C ATOM 0 HA PRO A 38 -14.292 -18.737 -13.649 1.00 64.33 H new ATOM 0 HB2 PRO A 38 -13.194 -21.362 -12.492 1.00 42.22 H new ATOM 0 HB3 PRO A 38 -14.272 -21.174 -13.861 1.00 42.22 H new ATOM 0 HG2 PRO A 38 -11.725 -21.689 -14.309 1.00 71.34 H new ATOM 0 HG3 PRO A 38 -12.538 -20.501 -15.307 1.00 71.34 H new ATOM 0 HD2 PRO A 38 -10.592 -20.060 -13.052 1.00 74.33 H new ATOM 0 HD3 PRO A 38 -10.760 -19.169 -14.552 1.00 74.33 H new ATOM 598 N LYS A 39 -13.498 -19.161 -10.523 1.00 74.32 N ATOM 599 CA LYS A 39 -14.107 -19.103 -9.183 1.00 42.04 C ATOM 600 C LYS A 39 -14.683 -17.721 -8.887 1.00 44.01 C ATOM 601 O LYS A 39 -15.490 -17.560 -7.977 1.00 5.21 O ATOM 602 CB LYS A 39 -13.140 -19.549 -8.066 1.00 32.23 C ATOM 603 CG LYS A 39 -11.906 -18.678 -7.917 1.00 50.11 C ATOM 604 CD LYS A 39 -10.913 -19.168 -6.842 1.00 15.20 C ATOM 605 CE LYS A 39 -11.412 -19.025 -5.389 1.00 21.21 C ATOM 606 NZ LYS A 39 -12.532 -19.929 -5.028 1.00 72.03 N ATOM 0 H LYS A 39 -12.478 -19.177 -10.537 1.00 74.32 H new ATOM 0 HA LYS A 39 -14.929 -19.819 -9.193 1.00 42.04 H new ATOM 0 HB2 LYS A 39 -13.679 -19.559 -7.119 1.00 32.23 H new ATOM 0 HB3 LYS A 39 -12.824 -20.573 -8.264 1.00 32.23 H new ATOM 0 HG2 LYS A 39 -11.391 -18.630 -8.876 1.00 50.11 H new ATOM 0 HG3 LYS A 39 -12.219 -17.663 -7.671 1.00 50.11 H new ATOM 0 HD2 LYS A 39 -10.683 -20.216 -7.031 1.00 15.20 H new ATOM 0 HD3 LYS A 39 -9.981 -18.613 -6.948 1.00 15.20 H new ATOM 0 HE2 LYS A 39 -10.578 -19.213 -4.712 1.00 21.21 H new ATOM 0 HE3 LYS A 39 -11.728 -17.994 -5.227 1.00 21.21 H new ATOM 0 HZ1 LYS A 39 -12.397 -20.279 -4.058 1.00 72.03 H new ATOM 0 HZ2 LYS A 39 -13.431 -19.409 -5.086 1.00 72.03 H new ATOM 0 HZ3 LYS A 39 -12.555 -20.734 -5.686 1.00 72.03 H new ATOM 620 N TYR A 40 -14.261 -16.730 -9.649 1.00 13.45 N ATOM 621 CA TYR A 40 -14.783 -15.387 -9.480 1.00 23.52 C ATOM 622 C TYR A 40 -15.787 -15.080 -10.573 1.00 1.34 C ATOM 623 O TYR A 40 -16.424 -14.018 -10.581 1.00 61.45 O ATOM 624 CB TYR A 40 -13.651 -14.358 -9.420 1.00 1.30 C ATOM 625 CG TYR A 40 -12.702 -14.641 -8.280 1.00 71.50 C ATOM 626 CD1 TYR A 40 -13.091 -14.441 -6.967 1.00 62.32 C ATOM 627 CD2 TYR A 40 -11.437 -15.150 -8.515 1.00 34.20 C ATOM 628 CE1 TYR A 40 -12.242 -14.735 -5.924 1.00 1.32 C ATOM 629 CE2 TYR A 40 -10.581 -15.454 -7.480 1.00 42.34 C ATOM 630 CZ TYR A 40 -10.985 -15.244 -6.188 1.00 22.24 C ATOM 631 OH TYR A 40 -10.138 -15.559 -5.144 1.00 15.44 O ATOM 0 H TYR A 40 -13.563 -16.828 -10.386 1.00 13.45 H new ATOM 0 HA TYR A 40 -15.305 -15.326 -8.525 1.00 23.52 H new ATOM 0 HB2 TYR A 40 -13.102 -14.365 -10.362 1.00 1.30 H new ATOM 0 HB3 TYR A 40 -14.072 -13.359 -9.304 1.00 1.30 H new ATOM 0 HD1 TYR A 40 -14.075 -14.048 -6.758 1.00 62.32 H new ATOM 0 HD2 TYR A 40 -11.114 -15.312 -9.533 1.00 34.20 H new ATOM 0 HE1 TYR A 40 -12.557 -14.569 -4.904 1.00 1.32 H new ATOM 0 HE2 TYR A 40 -9.599 -15.855 -7.685 1.00 42.34 H new ATOM 0 HH TYR A 40 -9.294 -15.906 -5.501 1.00 15.44 H new ATOM 641 N SER A 41 -15.897 -16.031 -11.510 1.00 64.52 N ATOM 642 CA SER A 41 -16.874 -16.034 -12.614 1.00 2.33 C ATOM 643 C SER A 41 -16.726 -14.838 -13.580 1.00 24.24 C ATOM 644 O SER A 41 -17.539 -14.681 -14.495 1.00 52.04 O ATOM 645 CB SER A 41 -18.299 -16.098 -12.035 1.00 42.12 C ATOM 646 OG SER A 41 -18.440 -17.237 -11.174 1.00 63.35 O ATOM 0 H SER A 41 -15.288 -16.849 -11.523 1.00 64.52 H new ATOM 0 HA SER A 41 -16.673 -16.920 -13.216 1.00 2.33 H new ATOM 0 HB2 SER A 41 -18.513 -15.185 -11.479 1.00 42.12 H new ATOM 0 HB3 SER A 41 -19.025 -16.155 -12.846 1.00 42.12 H new ATOM 0 HG SER A 41 -19.350 -17.263 -10.812 1.00 63.35 H new ATOM 652 N SER A 42 -15.666 -14.042 -13.390 1.00 14.12 N ATOM 653 CA SER A 42 -15.439 -12.826 -14.154 1.00 20.23 C ATOM 654 C SER A 42 -16.685 -11.917 -14.126 1.00 54.41 C ATOM 655 O SER A 42 -17.455 -11.846 -15.081 1.00 44.02 O ATOM 656 CB SER A 42 -14.963 -13.132 -15.589 1.00 22.44 C ATOM 657 OG SER A 42 -13.746 -13.892 -15.564 1.00 13.34 O ATOM 0 H SER A 42 -14.943 -14.232 -12.696 1.00 14.12 H new ATOM 0 HA SER A 42 -14.629 -12.275 -13.676 1.00 20.23 H new ATOM 0 HB2 SER A 42 -15.734 -13.687 -16.124 1.00 22.44 H new ATOM 0 HB3 SER A 42 -14.806 -12.200 -16.133 1.00 22.44 H new ATOM 0 HG SER A 42 -13.315 -13.792 -14.689 1.00 13.34 H new ATOM 663 N ASP A 43 -16.905 -11.296 -12.987 1.00 4.33 N ATOM 664 CA ASP A 43 -18.065 -10.431 -12.779 1.00 53.40 C ATOM 665 C ASP A 43 -17.813 -9.053 -13.408 1.00 45.11 C ATOM 666 O ASP A 43 -16.685 -8.749 -13.779 1.00 71.23 O ATOM 667 CB ASP A 43 -18.345 -10.324 -11.263 1.00 45.33 C ATOM 668 CG ASP A 43 -19.526 -9.462 -10.901 1.00 42.24 C ATOM 669 OD1 ASP A 43 -20.659 -9.968 -10.877 1.00 21.41 O ATOM 670 OD2 ASP A 43 -19.335 -8.262 -10.633 1.00 51.31 O ATOM 0 H ASP A 43 -16.291 -11.371 -12.176 1.00 4.33 H new ATOM 0 HA ASP A 43 -18.944 -10.855 -13.265 1.00 53.40 H new ATOM 0 HB2 ASP A 43 -18.508 -11.326 -10.866 1.00 45.33 H new ATOM 0 HB3 ASP A 43 -17.458 -9.926 -10.770 1.00 45.33 H new ATOM 675 N GLU A 44 -18.850 -8.244 -13.540 1.00 61.12 N ATOM 676 CA GLU A 44 -18.734 -6.920 -14.143 1.00 5.43 C ATOM 677 C GLU A 44 -18.116 -5.889 -13.178 1.00 73.01 C ATOM 678 O GLU A 44 -17.444 -4.949 -13.607 1.00 71.32 O ATOM 679 CB GLU A 44 -20.104 -6.418 -14.614 1.00 22.10 C ATOM 680 CG GLU A 44 -21.140 -6.311 -13.506 1.00 32.04 C ATOM 681 CD GLU A 44 -22.417 -5.663 -13.962 1.00 71.34 C ATOM 682 OE1 GLU A 44 -22.467 -4.409 -14.014 1.00 11.02 O ATOM 683 OE2 GLU A 44 -23.382 -6.371 -14.270 1.00 64.13 O ATOM 0 H GLU A 44 -19.794 -8.481 -13.235 1.00 61.12 H new ATOM 0 HA GLU A 44 -18.066 -7.024 -14.998 1.00 5.43 H new ATOM 0 HB2 GLU A 44 -19.981 -5.439 -15.077 1.00 22.10 H new ATOM 0 HB3 GLU A 44 -20.480 -7.091 -15.385 1.00 22.10 H new ATOM 0 HG2 GLU A 44 -21.360 -7.308 -13.124 1.00 32.04 H new ATOM 0 HG3 GLU A 44 -20.722 -5.737 -12.679 1.00 32.04 H new ATOM 690 N ASP A 45 -18.348 -6.063 -11.892 1.00 32.31 N ATOM 691 CA ASP A 45 -17.864 -5.110 -10.886 1.00 33.50 C ATOM 692 C ASP A 45 -16.573 -5.594 -10.256 1.00 63.03 C ATOM 693 O ASP A 45 -15.814 -4.820 -9.656 1.00 3.22 O ATOM 694 CB ASP A 45 -18.936 -4.858 -9.822 1.00 12.41 C ATOM 695 CG ASP A 45 -18.466 -3.944 -8.714 1.00 32.51 C ATOM 696 OD1 ASP A 45 -18.272 -2.737 -8.961 1.00 1.44 O ATOM 697 OD2 ASP A 45 -18.258 -4.425 -7.587 1.00 72.32 O ATOM 0 H ASP A 45 -18.868 -6.853 -11.509 1.00 32.31 H new ATOM 0 HA ASP A 45 -17.654 -4.164 -11.386 1.00 33.50 H new ATOM 0 HB2 ASP A 45 -19.815 -4.422 -10.296 1.00 12.41 H new ATOM 0 HB3 ASP A 45 -19.245 -5.811 -9.393 1.00 12.41 H new ATOM 702 N LEU A 46 -16.317 -6.870 -10.418 1.00 12.33 N ATOM 703 CA LEU A 46 -15.103 -7.497 -9.914 1.00 41.31 C ATOM 704 C LEU A 46 -13.827 -6.744 -10.421 1.00 22.00 C ATOM 705 O LEU A 46 -13.028 -6.314 -9.604 1.00 32.20 O ATOM 706 CB LEU A 46 -15.141 -9.032 -10.222 1.00 24.11 C ATOM 707 CG LEU A 46 -13.990 -9.968 -9.750 1.00 31.23 C ATOM 708 CD1 LEU A 46 -12.723 -9.758 -10.530 1.00 63.35 C ATOM 709 CD2 LEU A 46 -13.732 -9.827 -8.253 1.00 1.31 C ATOM 0 H LEU A 46 -16.943 -7.512 -10.904 1.00 12.33 H new ATOM 0 HA LEU A 46 -15.049 -7.411 -8.829 1.00 41.31 H new ATOM 0 HB2 LEU A 46 -16.066 -9.421 -9.796 1.00 24.11 H new ATOM 0 HB3 LEU A 46 -15.218 -9.140 -11.304 1.00 24.11 H new ATOM 0 HG LEU A 46 -14.324 -10.987 -9.944 1.00 31.23 H new ATOM 0 HD11 LEU A 46 -11.952 -10.435 -10.161 1.00 63.35 H new ATOM 0 HD12 LEU A 46 -12.908 -9.959 -11.585 1.00 63.35 H new ATOM 0 HD13 LEU A 46 -12.388 -8.728 -10.410 1.00 63.35 H new ATOM 0 HD21 LEU A 46 -12.922 -10.495 -7.959 1.00 1.31 H new ATOM 0 HD22 LEU A 46 -13.453 -8.798 -8.027 1.00 1.31 H new ATOM 0 HD23 LEU A 46 -14.636 -10.088 -7.702 1.00 1.31 H new ATOM 721 N PRO A 47 -13.643 -6.531 -11.770 1.00 1.00 N ATOM 722 CA PRO A 47 -12.505 -5.757 -12.309 1.00 22.23 C ATOM 723 C PRO A 47 -12.418 -4.346 -11.723 1.00 60.14 C ATOM 724 O PRO A 47 -11.330 -3.779 -11.619 1.00 63.41 O ATOM 725 CB PRO A 47 -12.808 -5.654 -13.812 1.00 54.14 C ATOM 726 CG PRO A 47 -14.225 -6.072 -13.954 1.00 62.12 C ATOM 727 CD PRO A 47 -14.475 -7.041 -12.857 1.00 21.54 C ATOM 0 HA PRO A 47 -11.558 -6.241 -12.069 1.00 22.23 H new ATOM 0 HB2 PRO A 47 -12.659 -4.637 -14.175 1.00 54.14 H new ATOM 0 HB3 PRO A 47 -12.147 -6.299 -14.392 1.00 54.14 H new ATOM 0 HG2 PRO A 47 -14.894 -5.215 -13.878 1.00 62.12 H new ATOM 0 HG3 PRO A 47 -14.402 -6.530 -14.927 1.00 62.12 H new ATOM 0 HD2 PRO A 47 -15.528 -7.072 -12.578 1.00 21.54 H new ATOM 0 HD3 PRO A 47 -14.191 -8.054 -13.141 1.00 21.54 H new ATOM 735 N SER A 48 -13.560 -3.797 -11.324 1.00 72.13 N ATOM 736 CA SER A 48 -13.608 -2.457 -10.779 1.00 4.42 C ATOM 737 C SER A 48 -12.910 -2.424 -9.419 1.00 32.44 C ATOM 738 O SER A 48 -12.180 -1.485 -9.104 1.00 72.44 O ATOM 739 CB SER A 48 -15.057 -1.987 -10.674 1.00 14.53 C ATOM 740 OG SER A 48 -15.711 -2.087 -11.940 1.00 30.11 O ATOM 0 H SER A 48 -14.465 -4.266 -11.371 1.00 72.13 H new ATOM 0 HA SER A 48 -13.082 -1.774 -11.445 1.00 4.42 H new ATOM 0 HB2 SER A 48 -15.588 -2.589 -9.936 1.00 14.53 H new ATOM 0 HB3 SER A 48 -15.086 -0.955 -10.324 1.00 14.53 H new ATOM 0 HG SER A 48 -16.639 -1.783 -11.854 1.00 30.11 H new ATOM 746 N LYS A 49 -13.120 -3.478 -8.630 1.00 11.20 N ATOM 747 CA LYS A 49 -12.440 -3.620 -7.347 1.00 72.03 C ATOM 748 C LYS A 49 -10.943 -3.779 -7.550 1.00 42.02 C ATOM 749 O LYS A 49 -10.154 -3.184 -6.835 1.00 42.32 O ATOM 750 CB LYS A 49 -12.995 -4.803 -6.530 1.00 60.21 C ATOM 751 CG LYS A 49 -14.179 -4.529 -5.555 1.00 43.43 C ATOM 752 CD LYS A 49 -15.478 -3.961 -6.167 1.00 3.24 C ATOM 753 CE LYS A 49 -15.386 -2.480 -6.543 1.00 10.42 C ATOM 754 NZ LYS A 49 -16.702 -1.926 -6.941 1.00 11.15 N ATOM 0 H LYS A 49 -13.755 -4.243 -8.858 1.00 11.20 H new ATOM 0 HA LYS A 49 -12.627 -2.709 -6.779 1.00 72.03 H new ATOM 0 HB2 LYS A 49 -13.313 -5.574 -7.232 1.00 60.21 H new ATOM 0 HB3 LYS A 49 -12.174 -5.221 -5.948 1.00 60.21 H new ATOM 0 HG2 LYS A 49 -14.424 -5.463 -5.049 1.00 43.43 H new ATOM 0 HG3 LYS A 49 -13.833 -3.834 -4.790 1.00 43.43 H new ATOM 0 HD2 LYS A 49 -15.732 -4.537 -7.057 1.00 3.24 H new ATOM 0 HD3 LYS A 49 -16.293 -4.096 -5.456 1.00 3.24 H new ATOM 0 HE2 LYS A 49 -14.995 -1.915 -5.697 1.00 10.42 H new ATOM 0 HE3 LYS A 49 -14.678 -2.357 -7.363 1.00 10.42 H new ATOM 0 HZ1 LYS A 49 -16.676 -0.888 -6.876 1.00 11.15 H new ATOM 0 HZ2 LYS A 49 -16.915 -2.206 -7.920 1.00 11.15 H new ATOM 0 HZ3 LYS A 49 -17.440 -2.294 -6.307 1.00 11.15 H new ATOM 768 N LEU A 50 -10.570 -4.572 -8.544 1.00 74.04 N ATOM 769 CA LEU A 50 -9.156 -4.801 -8.869 1.00 74.43 C ATOM 770 C LEU A 50 -8.446 -3.528 -9.318 1.00 53.01 C ATOM 771 O LEU A 50 -7.394 -3.192 -8.785 1.00 63.44 O ATOM 772 CB LEU A 50 -8.971 -5.932 -9.904 1.00 34.42 C ATOM 773 CG LEU A 50 -9.093 -7.398 -9.407 1.00 11.42 C ATOM 774 CD1 LEU A 50 -8.015 -7.711 -8.407 1.00 45.05 C ATOM 775 CD2 LEU A 50 -10.437 -7.686 -8.795 1.00 31.20 C ATOM 0 H LEU A 50 -11.224 -5.073 -9.146 1.00 74.04 H new ATOM 0 HA LEU A 50 -8.685 -5.123 -7.941 1.00 74.43 H new ATOM 0 HB2 LEU A 50 -9.706 -5.785 -10.695 1.00 34.42 H new ATOM 0 HB3 LEU A 50 -7.987 -5.813 -10.357 1.00 34.42 H new ATOM 0 HG LEU A 50 -8.979 -8.034 -10.285 1.00 11.42 H new ATOM 0 HD11 LEU A 50 -8.119 -8.743 -8.071 1.00 45.05 H new ATOM 0 HD12 LEU A 50 -7.038 -7.577 -8.871 1.00 45.05 H new ATOM 0 HD13 LEU A 50 -8.106 -7.041 -7.552 1.00 45.05 H new ATOM 0 HD21 LEU A 50 -10.471 -8.724 -8.464 1.00 31.20 H new ATOM 0 HD22 LEU A 50 -10.597 -7.027 -7.942 1.00 31.20 H new ATOM 0 HD23 LEU A 50 -11.218 -7.516 -9.536 1.00 31.20 H new ATOM 787 N GLU A 51 -9.023 -2.810 -10.279 1.00 53.33 N ATOM 788 CA GLU A 51 -8.422 -1.560 -10.740 1.00 22.55 C ATOM 789 C GLU A 51 -8.380 -0.505 -9.670 1.00 12.44 C ATOM 790 O GLU A 51 -7.362 0.183 -9.522 1.00 75.33 O ATOM 791 CB GLU A 51 -9.063 -1.028 -12.013 1.00 43.34 C ATOM 792 CG GLU A 51 -8.632 -1.772 -13.249 1.00 70.54 C ATOM 793 CD GLU A 51 -7.140 -1.639 -13.442 1.00 74.44 C ATOM 794 OE1 GLU A 51 -6.681 -0.587 -13.962 1.00 43.04 O ATOM 795 OE2 GLU A 51 -6.401 -2.560 -13.066 1.00 34.42 O ATOM 0 H GLU A 51 -9.892 -3.066 -10.748 1.00 53.33 H new ATOM 0 HA GLU A 51 -7.390 -1.812 -10.984 1.00 22.55 H new ATOM 0 HB2 GLU A 51 -10.147 -1.089 -11.919 1.00 43.34 H new ATOM 0 HB3 GLU A 51 -8.812 0.027 -12.125 1.00 43.34 H new ATOM 0 HG2 GLU A 51 -8.903 -2.824 -13.162 1.00 70.54 H new ATOM 0 HG3 GLU A 51 -9.156 -1.379 -14.120 1.00 70.54 H new ATOM 802 N GLY A 52 -9.466 -0.390 -8.912 1.00 42.15 N ATOM 803 CA GLY A 52 -9.507 0.564 -7.828 1.00 22.33 C ATOM 804 C GLY A 52 -8.417 0.284 -6.827 1.00 73.12 C ATOM 805 O GLY A 52 -7.688 1.184 -6.414 1.00 1.02 O ATOM 0 H GLY A 52 -10.316 -0.942 -9.032 1.00 42.15 H new ATOM 0 HA2 GLY A 52 -9.394 1.574 -8.222 1.00 22.33 H new ATOM 0 HA3 GLY A 52 -10.479 0.521 -7.336 1.00 22.33 H new ATOM 809 N PHE A 53 -8.290 -0.978 -6.472 1.00 72.20 N ATOM 810 CA PHE A 53 -7.279 -1.431 -5.552 1.00 24.10 C ATOM 811 C PHE A 53 -5.864 -1.235 -6.105 1.00 43.44 C ATOM 812 O PHE A 53 -4.994 -0.770 -5.399 1.00 4.52 O ATOM 813 CB PHE A 53 -7.530 -2.888 -5.165 1.00 4.43 C ATOM 814 CG PHE A 53 -6.414 -3.508 -4.406 1.00 40.34 C ATOM 815 CD1 PHE A 53 -6.066 -3.049 -3.160 1.00 52.41 C ATOM 816 CD2 PHE A 53 -5.709 -4.556 -4.951 1.00 12.14 C ATOM 817 CE1 PHE A 53 -5.029 -3.622 -2.475 1.00 72.32 C ATOM 818 CE2 PHE A 53 -4.679 -5.138 -4.270 1.00 64.35 C ATOM 819 CZ PHE A 53 -4.334 -4.674 -3.029 1.00 23.21 C ATOM 0 H PHE A 53 -8.894 -1.722 -6.820 1.00 72.20 H new ATOM 0 HA PHE A 53 -7.348 -0.817 -4.654 1.00 24.10 H new ATOM 0 HB2 PHE A 53 -8.439 -2.944 -4.566 1.00 4.43 H new ATOM 0 HB3 PHE A 53 -7.708 -3.469 -6.070 1.00 4.43 H new ATOM 0 HD1 PHE A 53 -6.614 -2.230 -2.717 1.00 52.41 H new ATOM 0 HD2 PHE A 53 -5.974 -4.923 -5.931 1.00 12.14 H new ATOM 0 HE1 PHE A 53 -4.755 -3.249 -1.499 1.00 72.32 H new ATOM 0 HE2 PHE A 53 -4.137 -5.963 -4.709 1.00 64.35 H new ATOM 0 HZ PHE A 53 -3.520 -5.131 -2.486 1.00 23.21 H new ATOM 829 N LYS A 54 -5.654 -1.595 -7.350 1.00 21.11 N ATOM 830 CA LYS A 54 -4.353 -1.446 -8.015 1.00 25.44 C ATOM 831 C LYS A 54 -3.843 -0.006 -7.943 1.00 41.00 C ATOM 832 O LYS A 54 -2.685 0.238 -7.561 1.00 33.34 O ATOM 833 CB LYS A 54 -4.475 -1.970 -9.460 1.00 13.00 C ATOM 834 CG LYS A 54 -3.195 -1.998 -10.321 1.00 53.24 C ATOM 835 CD LYS A 54 -2.816 -0.652 -10.933 1.00 40.14 C ATOM 836 CE LYS A 54 -3.857 -0.177 -11.940 1.00 42.03 C ATOM 837 NZ LYS A 54 -4.062 -1.149 -13.048 1.00 10.02 N ATOM 0 H LYS A 54 -6.376 -2.003 -7.944 1.00 21.11 H new ATOM 0 HA LYS A 54 -3.602 -2.041 -7.495 1.00 25.44 H new ATOM 0 HB2 LYS A 54 -4.873 -2.984 -9.417 1.00 13.00 H new ATOM 0 HB3 LYS A 54 -5.214 -1.359 -9.977 1.00 13.00 H new ATOM 0 HG2 LYS A 54 -2.366 -2.350 -9.707 1.00 53.24 H new ATOM 0 HG3 LYS A 54 -3.328 -2.724 -11.123 1.00 53.24 H new ATOM 0 HD2 LYS A 54 -2.710 0.090 -10.142 1.00 40.14 H new ATOM 0 HD3 LYS A 54 -1.846 -0.736 -11.424 1.00 40.14 H new ATOM 0 HE2 LYS A 54 -4.804 -0.010 -11.427 1.00 42.03 H new ATOM 0 HE3 LYS A 54 -3.546 0.782 -12.355 1.00 42.03 H new ATOM 0 HZ1 LYS A 54 -4.558 -0.681 -13.833 1.00 10.02 H new ATOM 0 HZ2 LYS A 54 -3.140 -1.497 -13.380 1.00 10.02 H new ATOM 0 HZ3 LYS A 54 -4.631 -1.950 -12.707 1.00 10.02 H new ATOM 851 N GLU A 55 -4.706 0.930 -8.270 1.00 44.40 N ATOM 852 CA GLU A 55 -4.370 2.346 -8.209 1.00 70.20 C ATOM 853 C GLU A 55 -4.144 2.792 -6.770 1.00 44.11 C ATOM 854 O GLU A 55 -3.307 3.648 -6.508 1.00 51.34 O ATOM 855 CB GLU A 55 -5.464 3.180 -8.864 1.00 71.13 C ATOM 856 CG GLU A 55 -5.560 3.015 -10.369 1.00 4.35 C ATOM 857 CD GLU A 55 -4.412 3.670 -11.104 1.00 11.51 C ATOM 858 OE1 GLU A 55 -3.274 3.170 -11.038 1.00 44.14 O ATOM 859 OE2 GLU A 55 -4.647 4.705 -11.774 1.00 35.33 O ATOM 0 H GLU A 55 -5.657 0.739 -8.585 1.00 44.40 H new ATOM 0 HA GLU A 55 -3.441 2.499 -8.758 1.00 70.20 H new ATOM 0 HB2 GLU A 55 -6.423 2.913 -8.419 1.00 71.13 H new ATOM 0 HB3 GLU A 55 -5.288 4.231 -8.636 1.00 71.13 H new ATOM 0 HG2 GLU A 55 -5.583 1.953 -10.613 1.00 4.35 H new ATOM 0 HG3 GLU A 55 -6.500 3.443 -10.718 1.00 4.35 H new ATOM 866 N LYS A 56 -4.888 2.199 -5.851 1.00 23.03 N ATOM 867 CA LYS A 56 -4.759 2.504 -4.432 1.00 53.44 C ATOM 868 C LYS A 56 -3.504 1.950 -3.828 1.00 11.43 C ATOM 869 O LYS A 56 -2.814 2.651 -3.104 1.00 13.31 O ATOM 870 CB LYS A 56 -5.954 1.985 -3.615 1.00 34.23 C ATOM 871 CG LYS A 56 -7.250 2.737 -3.814 1.00 52.22 C ATOM 872 CD LYS A 56 -7.098 4.195 -3.443 1.00 5.42 C ATOM 873 CE LYS A 56 -6.629 4.377 -2.006 1.00 72.12 C ATOM 874 NZ LYS A 56 -6.363 5.781 -1.732 1.00 23.30 N ATOM 0 H LYS A 56 -5.596 1.496 -6.064 1.00 23.03 H new ATOM 0 HA LYS A 56 -4.725 3.592 -4.385 1.00 53.44 H new ATOM 0 HB2 LYS A 56 -6.119 0.938 -3.869 1.00 34.23 H new ATOM 0 HB3 LYS A 56 -5.692 2.020 -2.558 1.00 34.23 H new ATOM 0 HG2 LYS A 56 -7.565 2.655 -4.854 1.00 52.22 H new ATOM 0 HG3 LYS A 56 -8.033 2.284 -3.206 1.00 52.22 H new ATOM 0 HD2 LYS A 56 -6.385 4.668 -4.119 1.00 5.42 H new ATOM 0 HD3 LYS A 56 -8.052 4.704 -3.579 1.00 5.42 H new ATOM 0 HE2 LYS A 56 -7.388 4.004 -1.319 1.00 72.12 H new ATOM 0 HE3 LYS A 56 -5.727 3.789 -1.834 1.00 72.12 H new ATOM 0 HZ1 LYS A 56 -6.060 5.890 -0.743 1.00 23.30 H new ATOM 0 HZ2 LYS A 56 -5.611 6.122 -2.364 1.00 23.30 H new ATOM 0 HZ3 LYS A 56 -7.228 6.336 -1.893 1.00 23.30 H new ATOM 888 N TYR A 57 -3.200 0.708 -4.142 1.00 50.10 N ATOM 889 CA TYR A 57 -2.137 -0.013 -3.497 1.00 41.42 C ATOM 890 C TYR A 57 -0.801 0.693 -3.701 1.00 44.25 C ATOM 891 O TYR A 57 -0.002 0.829 -2.773 1.00 51.21 O ATOM 892 CB TYR A 57 -2.123 -1.435 -4.042 1.00 40.00 C ATOM 893 CG TYR A 57 -1.234 -2.397 -3.308 1.00 32.34 C ATOM 894 CD1 TYR A 57 -1.634 -2.931 -2.093 1.00 22.03 C ATOM 895 CD2 TYR A 57 -0.023 -2.790 -3.824 1.00 52.52 C ATOM 896 CE1 TYR A 57 -0.848 -3.825 -1.412 1.00 42.30 C ATOM 897 CE2 TYR A 57 0.769 -3.687 -3.152 1.00 12.24 C ATOM 898 CZ TYR A 57 0.349 -4.201 -1.945 1.00 12.03 C ATOM 899 OH TYR A 57 1.141 -5.095 -1.275 1.00 42.11 O ATOM 0 H TYR A 57 -3.691 0.172 -4.858 1.00 50.10 H new ATOM 0 HA TYR A 57 -2.304 -0.048 -2.420 1.00 41.42 H new ATOM 0 HB2 TYR A 57 -3.142 -1.823 -4.025 1.00 40.00 H new ATOM 0 HB3 TYR A 57 -1.811 -1.403 -5.086 1.00 40.00 H new ATOM 0 HD1 TYR A 57 -2.585 -2.637 -1.674 1.00 22.03 H new ATOM 0 HD2 TYR A 57 0.310 -2.388 -4.770 1.00 52.52 H new ATOM 0 HE1 TYR A 57 -1.174 -4.227 -0.464 1.00 42.30 H new ATOM 0 HE2 TYR A 57 1.719 -3.989 -3.568 1.00 12.24 H new ATOM 0 HH TYR A 57 2.078 -4.956 -1.528 1.00 42.11 H new ATOM 909 N MET A 58 -0.585 1.157 -4.907 1.00 40.11 N ATOM 910 CA MET A 58 0.634 1.874 -5.259 1.00 65.42 C ATOM 911 C MET A 58 0.730 3.288 -4.655 1.00 43.21 C ATOM 912 O MET A 58 1.779 3.924 -4.760 1.00 52.21 O ATOM 913 CB MET A 58 0.835 1.940 -6.767 1.00 74.11 C ATOM 914 CG MET A 58 -0.299 2.615 -7.500 1.00 62.41 C ATOM 915 SD MET A 58 0.053 2.878 -9.241 1.00 52.15 S ATOM 916 CE MET A 58 0.263 1.199 -9.810 1.00 72.35 C ATOM 0 H MET A 58 -1.244 1.053 -5.678 1.00 40.11 H new ATOM 0 HA MET A 58 1.437 1.287 -4.813 1.00 65.42 H new ATOM 0 HB2 MET A 58 1.762 2.474 -6.978 1.00 74.11 H new ATOM 0 HB3 MET A 58 0.955 0.928 -7.154 1.00 74.11 H new ATOM 0 HG2 MET A 58 -1.199 2.008 -7.404 1.00 62.41 H new ATOM 0 HG3 MET A 58 -0.510 3.575 -7.028 1.00 62.41 H new ATOM 0 HE1 MET A 58 0.221 1.176 -10.899 1.00 72.35 H new ATOM 0 HE2 MET A 58 1.229 0.820 -9.476 1.00 72.35 H new ATOM 0 HE3 MET A 58 -0.532 0.575 -9.403 1.00 72.35 H new ATOM 926 N GLU A 59 -0.339 3.789 -4.035 1.00 21.52 N ATOM 927 CA GLU A 59 -0.303 5.156 -3.500 1.00 20.22 C ATOM 928 C GLU A 59 0.444 5.243 -2.197 1.00 73.13 C ATOM 929 O GLU A 59 0.862 6.315 -1.798 1.00 1.23 O ATOM 930 CB GLU A 59 -1.700 5.781 -3.316 1.00 60.21 C ATOM 931 CG GLU A 59 -2.477 5.968 -4.587 1.00 74.10 C ATOM 932 CD GLU A 59 -3.777 6.731 -4.400 1.00 5.24 C ATOM 933 OE1 GLU A 59 -4.660 6.286 -3.650 1.00 62.04 O ATOM 934 OE2 GLU A 59 -3.941 7.794 -5.030 1.00 23.01 O ATOM 0 H GLU A 59 -1.217 3.289 -3.892 1.00 21.52 H new ATOM 0 HA GLU A 59 0.229 5.728 -4.260 1.00 20.22 H new ATOM 0 HB2 GLU A 59 -2.279 5.150 -2.642 1.00 60.21 H new ATOM 0 HB3 GLU A 59 -1.588 6.750 -2.829 1.00 60.21 H new ATOM 0 HG2 GLU A 59 -1.855 6.498 -5.308 1.00 74.10 H new ATOM 0 HG3 GLU A 59 -2.698 4.990 -5.015 1.00 74.10 H new ATOM 941 N PHE A 60 0.611 4.130 -1.541 1.00 32.10 N ATOM 942 CA PHE A 60 1.207 4.124 -0.223 1.00 60.31 C ATOM 943 C PHE A 60 2.730 4.254 -0.265 1.00 63.02 C ATOM 944 O PHE A 60 3.268 5.345 -0.014 1.00 10.20 O ATOM 945 CB PHE A 60 0.716 2.917 0.584 1.00 11.25 C ATOM 946 CG PHE A 60 -0.791 2.937 0.782 1.00 21.35 C ATOM 947 CD1 PHE A 60 -1.648 2.414 -0.182 1.00 5.23 C ATOM 948 CD2 PHE A 60 -1.344 3.494 1.919 1.00 34.24 C ATOM 949 CE1 PHE A 60 -3.022 2.450 -0.013 1.00 60.14 C ATOM 950 CE2 PHE A 60 -2.718 3.529 2.093 1.00 44.43 C ATOM 951 CZ PHE A 60 -3.555 3.007 1.128 1.00 30.04 C ATOM 0 H PHE A 60 0.344 3.210 -1.893 1.00 32.10 H new ATOM 0 HA PHE A 60 0.870 5.017 0.304 1.00 60.31 H new ATOM 0 HB2 PHE A 60 1.002 1.998 0.072 1.00 11.25 H new ATOM 0 HB3 PHE A 60 1.209 2.906 1.556 1.00 11.25 H new ATOM 0 HD1 PHE A 60 -1.234 1.973 -1.077 1.00 5.23 H new ATOM 0 HD2 PHE A 60 -0.698 3.906 2.680 1.00 34.24 H new ATOM 0 HE1 PHE A 60 -3.673 2.043 -0.773 1.00 60.14 H new ATOM 0 HE2 PHE A 60 -3.136 3.967 2.988 1.00 44.43 H new ATOM 0 HZ PHE A 60 -4.626 3.035 1.267 1.00 30.04 H new ATOM 961 N ASP A 61 3.421 3.188 -0.604 1.00 53.13 N ATOM 962 CA ASP A 61 4.880 3.247 -0.695 1.00 73.42 C ATOM 963 C ASP A 61 5.417 2.102 -1.499 1.00 61.41 C ATOM 964 O ASP A 61 6.210 2.314 -2.415 1.00 3.41 O ATOM 965 CB ASP A 61 5.568 3.272 0.692 1.00 21.32 C ATOM 966 CG ASP A 61 5.440 1.976 1.465 1.00 75.33 C ATOM 967 OD1 ASP A 61 4.319 1.636 1.883 1.00 32.12 O ATOM 968 OD2 ASP A 61 6.459 1.283 1.633 1.00 14.21 O ATOM 0 H ASP A 61 3.013 2.279 -0.820 1.00 53.13 H new ATOM 0 HA ASP A 61 5.112 4.186 -1.197 1.00 73.42 H new ATOM 0 HB2 ASP A 61 6.625 3.501 0.558 1.00 21.32 H new ATOM 0 HB3 ASP A 61 5.140 4.081 1.284 1.00 21.32 H new ATOM 973 N LEU A 62 4.973 0.890 -1.142 1.00 33.14 N ATOM 974 CA LEU A 62 5.395 -0.354 -1.754 1.00 32.14 C ATOM 975 C LEU A 62 6.828 -0.701 -1.328 1.00 13.13 C ATOM 976 O LEU A 62 7.786 -0.144 -1.825 1.00 75.14 O ATOM 977 CB LEU A 62 5.245 -0.326 -3.295 1.00 11.53 C ATOM 978 CG LEU A 62 3.838 0.022 -3.823 1.00 44.02 C ATOM 979 CD1 LEU A 62 3.802 0.047 -5.342 1.00 64.03 C ATOM 980 CD2 LEU A 62 2.824 -0.951 -3.296 1.00 23.10 C ATOM 0 H LEU A 62 4.290 0.756 -0.396 1.00 33.14 H new ATOM 0 HA LEU A 62 4.733 -1.143 -1.396 1.00 32.14 H new ATOM 0 HB2 LEU A 62 5.954 0.398 -3.698 1.00 11.53 H new ATOM 0 HB3 LEU A 62 5.529 -1.302 -3.687 1.00 11.53 H new ATOM 0 HG LEU A 62 3.590 1.022 -3.466 1.00 44.02 H new ATOM 0 HD11 LEU A 62 2.795 0.296 -5.678 1.00 64.03 H new ATOM 0 HD12 LEU A 62 4.503 0.796 -5.710 1.00 64.03 H new ATOM 0 HD13 LEU A 62 4.082 -0.933 -5.729 1.00 64.03 H new ATOM 0 HD21 LEU A 62 1.837 -0.691 -3.678 1.00 23.10 H new ATOM 0 HD22 LEU A 62 3.084 -1.959 -3.620 1.00 23.10 H new ATOM 0 HD23 LEU A 62 2.813 -0.911 -2.207 1.00 23.10 H new ATOM 992 N ASN A 63 6.940 -1.582 -0.348 1.00 44.53 N ATOM 993 CA ASN A 63 8.245 -2.091 0.143 1.00 65.24 C ATOM 994 C ASN A 63 8.915 -3.006 -0.886 1.00 4.34 C ATOM 995 O ASN A 63 8.564 -2.989 -2.056 1.00 45.34 O ATOM 996 CB ASN A 63 8.071 -2.831 1.491 1.00 70.24 C ATOM 997 CG ASN A 63 7.841 -1.902 2.673 1.00 2.04 C ATOM 998 OD1 ASN A 63 8.795 -1.483 3.342 1.00 33.12 O ATOM 999 ND2 ASN A 63 6.610 -1.571 2.946 1.00 1.40 N ATOM 0 H ASN A 63 6.137 -1.976 0.142 1.00 44.53 H new ATOM 0 HA ASN A 63 8.896 -1.230 0.298 1.00 65.24 H new ATOM 0 HB2 ASN A 63 7.229 -3.519 1.412 1.00 70.24 H new ATOM 0 HB3 ASN A 63 8.959 -3.434 1.682 1.00 70.24 H new ATOM 0 HD21 ASN A 63 6.411 -0.950 3.730 1.00 1.40 H new ATOM 0 HD22 ASN A 63 5.846 -1.933 2.375 1.00 1.40 H new ATOM 1006 N GLY A 64 9.887 -3.791 -0.442 1.00 33.51 N ATOM 1007 CA GLY A 64 10.628 -4.700 -1.338 1.00 42.54 C ATOM 1008 C GLY A 64 9.720 -5.612 -2.165 1.00 71.44 C ATOM 1009 O GLY A 64 9.937 -5.792 -3.356 1.00 70.52 O ATOM 0 H GLY A 64 10.189 -3.824 0.532 1.00 33.51 H new ATOM 0 HA2 GLY A 64 11.247 -4.108 -2.012 1.00 42.54 H new ATOM 0 HA3 GLY A 64 11.303 -5.315 -0.742 1.00 42.54 H new ATOM 1013 N ASN A 65 8.688 -6.137 -1.535 1.00 15.53 N ATOM 1014 CA ASN A 65 7.701 -7.027 -2.201 1.00 14.41 C ATOM 1015 C ASN A 65 6.541 -6.169 -2.708 1.00 43.22 C ATOM 1016 O ASN A 65 5.583 -6.645 -3.338 1.00 11.53 O ATOM 1017 CB ASN A 65 7.179 -8.019 -1.155 1.00 62.34 C ATOM 1018 CG ASN A 65 6.079 -8.973 -1.610 1.00 62.30 C ATOM 1019 OD1 ASN A 65 6.037 -9.446 -2.763 1.00 64.24 O ATOM 1020 ND2 ASN A 65 5.145 -9.210 -0.715 1.00 52.42 N ATOM 0 H ASN A 65 8.492 -5.971 -0.548 1.00 15.53 H new ATOM 0 HA ASN A 65 8.155 -7.562 -3.035 1.00 14.41 H new ATOM 0 HB2 ASN A 65 8.020 -8.614 -0.799 1.00 62.34 H new ATOM 0 HB3 ASN A 65 6.807 -7.451 -0.302 1.00 62.34 H new ATOM 0 HD21 ASN A 65 4.348 -9.800 -0.953 1.00 52.42 H new ATOM 0 HD22 ASN A 65 5.217 -8.803 0.218 1.00 52.42 H new ATOM 1027 N GLY A 66 6.664 -4.894 -2.465 1.00 54.05 N ATOM 1028 CA GLY A 66 5.622 -3.983 -2.746 1.00 41.40 C ATOM 1029 C GLY A 66 4.605 -4.045 -1.665 1.00 64.45 C ATOM 1030 O GLY A 66 3.438 -3.980 -1.917 1.00 12.51 O ATOM 0 H GLY A 66 7.500 -4.468 -2.064 1.00 54.05 H new ATOM 0 HA2 GLY A 66 6.021 -2.972 -2.827 1.00 41.40 H new ATOM 0 HA3 GLY A 66 5.164 -4.223 -3.705 1.00 41.40 H new ATOM 1034 N ASP A 67 5.072 -4.167 -0.452 1.00 73.40 N ATOM 1035 CA ASP A 67 4.194 -4.363 0.704 1.00 61.23 C ATOM 1036 C ASP A 67 3.827 -3.023 1.262 1.00 13.33 C ATOM 1037 O ASP A 67 4.510 -2.035 0.998 1.00 23.53 O ATOM 1038 CB ASP A 67 4.918 -5.103 1.836 1.00 42.23 C ATOM 1039 CG ASP A 67 5.745 -6.271 1.399 1.00 71.22 C ATOM 1040 OD1 ASP A 67 6.941 -6.045 1.068 1.00 21.22 O ATOM 1041 OD2 ASP A 67 5.253 -7.415 1.401 1.00 2.55 O ATOM 0 H ASP A 67 6.065 -4.136 -0.222 1.00 73.40 H new ATOM 0 HA ASP A 67 3.329 -4.935 0.368 1.00 61.23 H new ATOM 0 HB2 ASP A 67 5.562 -4.396 2.359 1.00 42.23 H new ATOM 0 HB3 ASP A 67 4.177 -5.451 2.555 1.00 42.23 H new ATOM 1046 N ILE A 68 2.787 -2.987 2.037 1.00 73.44 N ATOM 1047 CA ILE A 68 2.390 -1.777 2.733 1.00 11.41 C ATOM 1048 C ILE A 68 2.482 -2.046 4.225 1.00 5.24 C ATOM 1049 O ILE A 68 1.823 -2.947 4.722 1.00 61.11 O ATOM 1050 CB ILE A 68 0.933 -1.363 2.389 1.00 61.23 C ATOM 1051 CG1 ILE A 68 0.782 -1.118 0.885 1.00 31.04 C ATOM 1052 CG2 ILE A 68 0.525 -0.114 3.182 1.00 40.40 C ATOM 1053 CD1 ILE A 68 -0.630 -0.795 0.462 1.00 2.44 C ATOM 0 H ILE A 68 2.182 -3.789 2.212 1.00 73.44 H new ATOM 0 HA ILE A 68 3.049 -0.965 2.426 1.00 11.41 H new ATOM 0 HB ILE A 68 0.270 -2.181 2.671 1.00 61.23 H new ATOM 0 HG12 ILE A 68 1.436 -0.297 0.592 1.00 31.04 H new ATOM 0 HG13 ILE A 68 1.120 -2.003 0.346 1.00 31.04 H new ATOM 0 HG21 ILE A 68 -0.499 0.160 2.927 1.00 40.40 H new ATOM 0 HG22 ILE A 68 0.590 -0.324 4.250 1.00 40.40 H new ATOM 0 HG23 ILE A 68 1.194 0.710 2.933 1.00 40.40 H new ATOM 0 HD11 ILE A 68 -0.659 -0.634 -0.616 1.00 2.44 H new ATOM 0 HD12 ILE A 68 -1.287 -1.625 0.723 1.00 2.44 H new ATOM 0 HD13 ILE A 68 -0.965 0.108 0.973 1.00 2.44 H new ATOM 1065 N ASP A 69 3.311 -1.304 4.918 1.00 53.30 N ATOM 1066 CA ASP A 69 3.451 -1.481 6.363 1.00 72.31 C ATOM 1067 C ASP A 69 2.677 -0.405 7.094 1.00 0.43 C ATOM 1068 O ASP A 69 2.260 0.591 6.476 1.00 22.42 O ATOM 1069 CB ASP A 69 4.917 -1.471 6.805 1.00 51.32 C ATOM 1070 CG ASP A 69 5.608 -0.165 6.541 1.00 42.34 C ATOM 1071 OD1 ASP A 69 6.191 -0.004 5.453 1.00 2.42 O ATOM 1072 OD2 ASP A 69 5.605 0.716 7.431 1.00 33.43 O ATOM 0 H ASP A 69 3.900 -0.574 4.518 1.00 53.30 H new ATOM 0 HA ASP A 69 3.042 -2.459 6.616 1.00 72.31 H new ATOM 0 HB2 ASP A 69 4.969 -1.693 7.871 1.00 51.32 H new ATOM 0 HB3 ASP A 69 5.451 -2.268 6.287 1.00 51.32 H new ATOM 1077 N ILE A 70 2.494 -0.576 8.410 1.00 54.00 N ATOM 1078 CA ILE A 70 1.686 0.364 9.178 1.00 53.13 C ATOM 1079 C ILE A 70 2.265 1.756 9.213 1.00 62.02 C ATOM 1080 O ILE A 70 1.529 2.717 9.334 1.00 25.42 O ATOM 1081 CB ILE A 70 1.460 -0.014 10.642 1.00 51.14 C ATOM 1082 CG1 ILE A 70 2.745 0.024 11.433 1.00 51.41 C ATOM 1083 CG2 ILE A 70 0.813 -1.347 10.746 1.00 71.21 C ATOM 1084 CD1 ILE A 70 2.508 0.139 12.893 1.00 61.43 C ATOM 0 H ILE A 70 2.889 -1.344 8.952 1.00 54.00 H new ATOM 0 HA ILE A 70 0.741 0.327 8.635 1.00 53.13 H new ATOM 0 HB ILE A 70 0.790 0.729 11.074 1.00 51.14 H new ATOM 0 HG12 ILE A 70 3.319 -0.880 11.231 1.00 51.41 H new ATOM 0 HG13 ILE A 70 3.349 0.867 11.098 1.00 51.41 H new ATOM 0 HG21 ILE A 70 0.661 -1.597 11.796 1.00 71.21 H new ATOM 0 HG22 ILE A 70 -0.150 -1.325 10.235 1.00 71.21 H new ATOM 0 HG23 ILE A 70 1.452 -2.099 10.283 1.00 71.21 H new ATOM 0 HD11 ILE A 70 3.464 0.162 13.416 1.00 61.43 H new ATOM 0 HD12 ILE A 70 1.958 1.057 13.101 1.00 61.43 H new ATOM 0 HD13 ILE A 70 1.928 -0.717 13.236 1.00 61.43 H new ATOM 1096 N MET A 71 3.583 1.879 9.126 1.00 12.31 N ATOM 1097 CA MET A 71 4.182 3.173 9.290 1.00 62.22 C ATOM 1098 C MET A 71 3.939 4.007 8.099 1.00 75.22 C ATOM 1099 O MET A 71 3.600 5.167 8.223 1.00 61.44 O ATOM 1100 CB MET A 71 5.664 3.124 9.637 1.00 61.22 C ATOM 1101 CG MET A 71 5.970 2.449 10.956 1.00 61.14 C ATOM 1102 SD MET A 71 7.696 2.629 11.442 1.00 10.40 S ATOM 1103 CE MET A 71 7.793 4.419 11.608 1.00 22.03 C ATOM 0 H MET A 71 4.233 1.114 8.947 1.00 12.31 H new ATOM 0 HA MET A 71 3.696 3.630 10.152 1.00 62.22 H new ATOM 0 HB2 MET A 71 6.195 2.600 8.842 1.00 61.22 H new ATOM 0 HB3 MET A 71 6.053 4.142 9.664 1.00 61.22 H new ATOM 0 HG2 MET A 71 5.332 2.871 11.732 1.00 61.14 H new ATOM 0 HG3 MET A 71 5.725 1.389 10.883 1.00 61.14 H new ATOM 0 HE1 MET A 71 8.595 4.677 12.299 1.00 22.03 H new ATOM 0 HE2 MET A 71 7.995 4.864 10.634 1.00 22.03 H new ATOM 0 HE3 MET A 71 6.847 4.801 11.992 1.00 22.03 H new ATOM 1113 N SER A 72 4.068 3.414 6.945 1.00 2.00 N ATOM 1114 CA SER A 72 3.795 4.098 5.715 1.00 3.51 C ATOM 1115 C SER A 72 2.307 4.423 5.638 1.00 2.05 C ATOM 1116 O SER A 72 1.910 5.524 5.217 1.00 23.21 O ATOM 1117 CB SER A 72 4.221 3.242 4.546 1.00 54.21 C ATOM 1118 OG SER A 72 4.000 3.898 3.320 1.00 22.35 O ATOM 0 H SER A 72 4.365 2.445 6.832 1.00 2.00 H new ATOM 0 HA SER A 72 4.359 5.030 5.678 1.00 3.51 H new ATOM 0 HB2 SER A 72 5.278 2.993 4.642 1.00 54.21 H new ATOM 0 HB3 SER A 72 3.670 2.302 4.562 1.00 54.21 H new ATOM 0 HG SER A 72 3.674 3.253 2.658 1.00 22.35 H new ATOM 1124 N LEU A 73 1.491 3.470 6.079 1.00 10.24 N ATOM 1125 CA LEU A 73 0.060 3.640 6.136 1.00 44.13 C ATOM 1126 C LEU A 73 -0.271 4.837 7.036 1.00 42.34 C ATOM 1127 O LEU A 73 -1.026 5.736 6.638 1.00 73.41 O ATOM 1128 CB LEU A 73 -0.599 2.345 6.654 1.00 61.52 C ATOM 1129 CG LEU A 73 -2.131 2.323 6.752 1.00 0.01 C ATOM 1130 CD1 LEU A 73 -2.756 2.578 5.397 1.00 63.03 C ATOM 1131 CD2 LEU A 73 -2.605 0.983 7.301 1.00 52.32 C ATOM 0 H LEU A 73 1.814 2.559 6.406 1.00 10.24 H new ATOM 0 HA LEU A 73 -0.334 3.840 5.140 1.00 44.13 H new ATOM 0 HB2 LEU A 73 -0.291 1.527 6.003 1.00 61.52 H new ATOM 0 HB3 LEU A 73 -0.195 2.134 7.644 1.00 61.52 H new ATOM 0 HG LEU A 73 -2.442 3.115 7.433 1.00 0.01 H new ATOM 0 HD11 LEU A 73 -3.842 2.558 5.488 1.00 63.03 H new ATOM 0 HD12 LEU A 73 -2.440 3.554 5.029 1.00 63.03 H new ATOM 0 HD13 LEU A 73 -2.436 1.805 4.698 1.00 63.03 H new ATOM 0 HD21 LEU A 73 -3.693 0.981 7.365 1.00 52.32 H new ATOM 0 HD22 LEU A 73 -2.279 0.182 6.637 1.00 52.32 H new ATOM 0 HD23 LEU A 73 -2.182 0.826 8.293 1.00 52.32 H new ATOM 1143 N LYS A 74 0.328 4.862 8.236 1.00 13.22 N ATOM 1144 CA LYS A 74 0.136 5.962 9.162 1.00 14.11 C ATOM 1145 C LYS A 74 0.671 7.277 8.580 1.00 2.05 C ATOM 1146 O LYS A 74 0.046 8.303 8.745 1.00 65.25 O ATOM 1147 CB LYS A 74 0.761 5.623 10.546 1.00 43.24 C ATOM 1148 CG LYS A 74 0.480 6.610 11.703 1.00 53.02 C ATOM 1149 CD LYS A 74 1.324 7.861 11.697 1.00 73.32 C ATOM 1150 CE LYS A 74 2.803 7.568 11.803 1.00 70.42 C ATOM 1151 NZ LYS A 74 3.555 8.792 12.138 1.00 14.22 N ATOM 0 H LYS A 74 0.948 4.127 8.578 1.00 13.22 H new ATOM 0 HA LYS A 74 -0.933 6.106 9.317 1.00 14.11 H new ATOM 0 HB2 LYS A 74 0.404 4.638 10.847 1.00 43.24 H new ATOM 0 HB3 LYS A 74 1.841 5.546 10.421 1.00 43.24 H new ATOM 0 HG2 LYS A 74 -0.570 6.899 11.666 1.00 53.02 H new ATOM 0 HG3 LYS A 74 0.635 6.091 12.649 1.00 53.02 H new ATOM 0 HD2 LYS A 74 1.133 8.419 10.780 1.00 73.32 H new ATOM 0 HD3 LYS A 74 1.024 8.501 12.527 1.00 73.32 H new ATOM 0 HE2 LYS A 74 2.975 6.809 12.567 1.00 70.42 H new ATOM 0 HE3 LYS A 74 3.166 7.159 10.860 1.00 70.42 H new ATOM 0 HZ1 LYS A 74 4.548 8.680 11.849 1.00 14.22 H new ATOM 0 HZ2 LYS A 74 3.139 9.603 11.638 1.00 14.22 H new ATOM 0 HZ3 LYS A 74 3.510 8.958 13.164 1.00 14.22 H new ATOM 1165 N ARG A 75 1.807 7.222 7.859 1.00 10.12 N ATOM 1166 CA ARG A 75 2.423 8.435 7.272 1.00 62.05 C ATOM 1167 C ARG A 75 1.443 9.226 6.447 1.00 42.13 C ATOM 1168 O ARG A 75 1.367 10.451 6.571 1.00 50.10 O ATOM 1169 CB ARG A 75 3.642 8.124 6.391 1.00 64.21 C ATOM 1170 CG ARG A 75 4.866 7.613 7.110 1.00 5.21 C ATOM 1171 CD ARG A 75 5.970 7.311 6.113 1.00 3.23 C ATOM 1172 NE ARG A 75 7.180 6.799 6.748 1.00 23.40 N ATOM 1173 CZ ARG A 75 8.197 6.220 6.096 1.00 22.41 C ATOM 1174 NH1 ARG A 75 8.130 6.028 4.779 1.00 54.42 N ATOM 1175 NH2 ARG A 75 9.270 5.830 6.769 1.00 63.45 N ATOM 0 H ARG A 75 2.316 6.359 7.668 1.00 10.12 H new ATOM 0 HA ARG A 75 2.746 9.022 8.131 1.00 62.05 H new ATOM 0 HB2 ARG A 75 3.348 7.385 5.646 1.00 64.21 H new ATOM 0 HB3 ARG A 75 3.915 9.030 5.850 1.00 64.21 H new ATOM 0 HG2 ARG A 75 5.210 8.355 7.831 1.00 5.21 H new ATOM 0 HG3 ARG A 75 4.617 6.713 7.672 1.00 5.21 H new ATOM 0 HD2 ARG A 75 5.609 6.582 5.388 1.00 3.23 H new ATOM 0 HD3 ARG A 75 6.212 8.218 5.559 1.00 3.23 H new ATOM 0 HE ARG A 75 7.257 6.888 7.761 1.00 23.40 H new ATOM 0 HH11 ARG A 75 7.301 6.322 4.262 1.00 54.42 H new ATOM 0 HH12 ARG A 75 8.907 5.587 4.288 1.00 54.42 H new ATOM 0 HH21 ARG A 75 9.318 5.971 7.778 1.00 63.45 H new ATOM 0 HH22 ARG A 75 10.047 5.389 6.278 1.00 63.45 H new ATOM 1189 N MET A 76 0.696 8.556 5.594 1.00 31.23 N ATOM 1190 CA MET A 76 -0.234 9.293 4.798 1.00 53.23 C ATOM 1191 C MET A 76 -1.450 9.717 5.583 1.00 62.45 C ATOM 1192 O MET A 76 -1.743 10.900 5.639 1.00 13.03 O ATOM 1193 CB MET A 76 -0.604 8.649 3.451 1.00 33.23 C ATOM 1194 CG MET A 76 0.591 8.431 2.533 1.00 42.23 C ATOM 1195 SD MET A 76 0.148 8.263 0.781 1.00 71.13 S ATOM 1196 CE MET A 76 -1.034 6.916 0.780 1.00 61.11 C ATOM 0 H MET A 76 0.717 7.547 5.444 1.00 31.23 H new ATOM 0 HA MET A 76 0.312 10.194 4.520 1.00 53.23 H new ATOM 0 HB2 MET A 76 -1.089 7.691 3.637 1.00 33.23 H new ATOM 0 HB3 MET A 76 -1.332 9.281 2.943 1.00 33.23 H new ATOM 0 HG2 MET A 76 1.281 9.268 2.645 1.00 42.23 H new ATOM 0 HG3 MET A 76 1.123 7.534 2.851 1.00 42.23 H new ATOM 0 HE1 MET A 76 -1.103 6.493 -0.222 1.00 61.11 H new ATOM 0 HE2 MET A 76 -0.707 6.145 1.478 1.00 61.11 H new ATOM 0 HE3 MET A 76 -2.012 7.290 1.084 1.00 61.11 H new ATOM 1206 N LEU A 77 -2.121 8.769 6.244 1.00 52.35 N ATOM 1207 CA LEU A 77 -3.368 9.078 6.950 1.00 73.00 C ATOM 1208 C LEU A 77 -3.201 10.147 8.041 1.00 12.11 C ATOM 1209 O LEU A 77 -4.033 11.047 8.166 1.00 15.05 O ATOM 1210 CB LEU A 77 -4.132 7.793 7.418 1.00 73.05 C ATOM 1211 CG LEU A 77 -3.450 6.799 8.396 1.00 21.03 C ATOM 1212 CD1 LEU A 77 -3.313 7.360 9.808 1.00 20.04 C ATOM 1213 CD2 LEU A 77 -4.206 5.479 8.423 1.00 30.31 C ATOM 0 H LEU A 77 -1.827 7.794 6.305 1.00 52.35 H new ATOM 0 HA LEU A 77 -4.025 9.545 6.216 1.00 73.00 H new ATOM 0 HB2 LEU A 77 -5.062 8.120 7.884 1.00 73.05 H new ATOM 0 HB3 LEU A 77 -4.403 7.233 6.523 1.00 73.05 H new ATOM 0 HG LEU A 77 -2.440 6.631 8.022 1.00 21.03 H new ATOM 0 HD11 LEU A 77 -2.829 6.622 10.448 1.00 20.04 H new ATOM 0 HD12 LEU A 77 -2.710 8.268 9.782 1.00 20.04 H new ATOM 0 HD13 LEU A 77 -4.301 7.592 10.205 1.00 20.04 H new ATOM 0 HD21 LEU A 77 -3.715 4.793 9.113 1.00 30.31 H new ATOM 0 HD22 LEU A 77 -5.231 5.653 8.751 1.00 30.31 H new ATOM 0 HD23 LEU A 77 -4.214 5.044 7.424 1.00 30.31 H new ATOM 1225 N GLU A 78 -2.104 10.079 8.769 1.00 23.32 N ATOM 1226 CA GLU A 78 -1.796 11.045 9.815 1.00 42.14 C ATOM 1227 C GLU A 78 -1.708 12.448 9.228 1.00 31.22 C ATOM 1228 O GLU A 78 -2.341 13.389 9.723 1.00 63.31 O ATOM 1229 CB GLU A 78 -0.481 10.655 10.508 1.00 51.31 C ATOM 1230 CG GLU A 78 0.031 11.644 11.528 1.00 72.43 C ATOM 1231 CD GLU A 78 1.310 11.192 12.191 1.00 2.42 C ATOM 1232 OE1 GLU A 78 2.387 11.224 11.536 1.00 53.04 O ATOM 1233 OE2 GLU A 78 1.268 10.799 13.372 1.00 25.31 O ATOM 0 H GLU A 78 -1.397 9.352 8.655 1.00 23.32 H new ATOM 0 HA GLU A 78 -2.594 11.040 10.557 1.00 42.14 H new ATOM 0 HB2 GLU A 78 -0.620 9.692 10.999 1.00 51.31 H new ATOM 0 HB3 GLU A 78 0.285 10.516 9.745 1.00 51.31 H new ATOM 0 HG2 GLU A 78 0.199 12.605 11.043 1.00 72.43 H new ATOM 0 HG3 GLU A 78 -0.732 11.801 12.290 1.00 72.43 H new ATOM 1240 N LYS A 79 -0.957 12.575 8.156 1.00 1.54 N ATOM 1241 CA LYS A 79 -0.761 13.854 7.492 1.00 55.33 C ATOM 1242 C LYS A 79 -1.986 14.288 6.677 1.00 61.42 C ATOM 1243 O LYS A 79 -2.074 15.435 6.229 1.00 43.24 O ATOM 1244 CB LYS A 79 0.513 13.845 6.654 1.00 10.10 C ATOM 1245 CG LYS A 79 1.769 13.557 7.472 1.00 11.42 C ATOM 1246 CD LYS A 79 1.956 14.582 8.585 1.00 5.14 C ATOM 1247 CE LYS A 79 3.196 14.295 9.414 1.00 4.43 C ATOM 1248 NZ LYS A 79 4.421 14.293 8.595 1.00 35.04 N ATOM 0 H LYS A 79 -0.463 11.798 7.717 1.00 1.54 H new ATOM 0 HA LYS A 79 -0.639 14.606 8.271 1.00 55.33 H new ATOM 0 HB2 LYS A 79 0.419 13.095 5.869 1.00 10.10 H new ATOM 0 HB3 LYS A 79 0.622 14.811 6.160 1.00 10.10 H new ATOM 0 HG2 LYS A 79 1.703 12.558 7.903 1.00 11.42 H new ATOM 0 HG3 LYS A 79 2.641 13.565 6.818 1.00 11.42 H new ATOM 0 HD2 LYS A 79 2.031 15.579 8.152 1.00 5.14 H new ATOM 0 HD3 LYS A 79 1.078 14.581 9.231 1.00 5.14 H new ATOM 0 HE2 LYS A 79 3.287 15.044 10.201 1.00 4.43 H new ATOM 0 HE3 LYS A 79 3.087 13.328 9.906 1.00 4.43 H new ATOM 0 HZ1 LYS A 79 5.254 14.297 9.217 1.00 35.04 H new ATOM 0 HZ2 LYS A 79 4.438 13.441 7.998 1.00 35.04 H new ATOM 0 HZ3 LYS A 79 4.436 15.139 7.991 1.00 35.04 H new ATOM 1262 N LEU A 80 -2.915 13.370 6.469 1.00 22.32 N ATOM 1263 CA LEU A 80 -4.166 13.695 5.791 1.00 53.13 C ATOM 1264 C LEU A 80 -5.163 14.260 6.782 1.00 32.41 C ATOM 1265 O LEU A 80 -6.185 14.823 6.394 1.00 33.14 O ATOM 1266 CB LEU A 80 -4.784 12.470 5.102 1.00 32.31 C ATOM 1267 CG LEU A 80 -3.961 11.798 4.007 1.00 60.44 C ATOM 1268 CD1 LEU A 80 -4.740 10.664 3.392 1.00 54.34 C ATOM 1269 CD2 LEU A 80 -3.527 12.791 2.949 1.00 44.45 C ATOM 0 H LEU A 80 -2.830 12.395 6.758 1.00 22.32 H new ATOM 0 HA LEU A 80 -3.933 14.435 5.025 1.00 53.13 H new ATOM 0 HB2 LEU A 80 -5.000 11.725 5.868 1.00 32.31 H new ATOM 0 HB3 LEU A 80 -5.739 12.771 4.671 1.00 32.31 H new ATOM 0 HG LEU A 80 -3.057 11.395 4.464 1.00 60.44 H new ATOM 0 HD11 LEU A 80 -4.142 10.193 2.612 1.00 54.34 H new ATOM 0 HD12 LEU A 80 -4.980 9.929 4.160 1.00 54.34 H new ATOM 0 HD13 LEU A 80 -5.663 11.050 2.958 1.00 54.34 H new ATOM 0 HD21 LEU A 80 -2.943 12.277 2.185 1.00 44.45 H new ATOM 0 HD22 LEU A 80 -4.407 13.242 2.491 1.00 44.45 H new ATOM 0 HD23 LEU A 80 -2.918 13.569 3.409 1.00 44.45 H new ATOM 1281 N GLY A 81 -4.863 14.101 8.064 1.00 13.34 N ATOM 1282 CA GLY A 81 -5.743 14.587 9.099 1.00 10.35 C ATOM 1283 C GLY A 81 -6.633 13.492 9.631 1.00 31.03 C ATOM 1284 O GLY A 81 -7.552 13.746 10.411 1.00 13.04 O ATOM 0 H GLY A 81 -4.019 13.640 8.404 1.00 13.34 H new ATOM 0 HA2 GLY A 81 -5.151 15.004 9.914 1.00 10.35 H new ATOM 0 HA3 GLY A 81 -6.357 15.396 8.705 1.00 10.35 H new ATOM 1288 N VAL A 82 -6.344 12.285 9.226 1.00 45.05 N ATOM 1289 CA VAL A 82 -7.108 11.121 9.602 1.00 20.24 C ATOM 1290 C VAL A 82 -6.681 10.611 10.984 1.00 13.10 C ATOM 1291 O VAL A 82 -5.519 10.250 11.184 1.00 64.01 O ATOM 1292 CB VAL A 82 -6.912 10.001 8.562 1.00 14.34 C ATOM 1293 CG1 VAL A 82 -7.602 8.738 8.992 1.00 25.43 C ATOM 1294 CG2 VAL A 82 -7.409 10.441 7.191 1.00 21.22 C ATOM 0 H VAL A 82 -5.556 12.077 8.613 1.00 45.05 H new ATOM 0 HA VAL A 82 -8.160 11.405 9.641 1.00 20.24 H new ATOM 0 HB VAL A 82 -5.844 9.796 8.490 1.00 14.34 H new ATOM 0 HG11 VAL A 82 -7.447 7.965 8.240 1.00 25.43 H new ATOM 0 HG12 VAL A 82 -7.191 8.405 9.945 1.00 25.43 H new ATOM 0 HG13 VAL A 82 -8.670 8.927 9.104 1.00 25.43 H new ATOM 0 HG21 VAL A 82 -7.260 9.634 6.474 1.00 21.22 H new ATOM 0 HG22 VAL A 82 -8.470 10.684 7.249 1.00 21.22 H new ATOM 0 HG23 VAL A 82 -6.853 11.321 6.868 1.00 21.22 H new ATOM 1304 N PRO A 83 -7.602 10.584 11.959 1.00 3.43 N ATOM 1305 CA PRO A 83 -7.295 10.112 13.283 1.00 32.20 C ATOM 1306 C PRO A 83 -7.583 8.605 13.495 1.00 23.02 C ATOM 1307 O PRO A 83 -8.741 8.154 13.507 1.00 53.31 O ATOM 1308 CB PRO A 83 -8.212 10.964 14.162 1.00 21.43 C ATOM 1309 CG PRO A 83 -9.391 11.315 13.294 1.00 13.23 C ATOM 1310 CD PRO A 83 -8.994 11.045 11.856 1.00 75.22 C ATOM 0 HA PRO A 83 -6.232 10.206 13.505 1.00 32.20 H new ATOM 0 HB2 PRO A 83 -8.528 10.414 15.048 1.00 21.43 H new ATOM 0 HB3 PRO A 83 -7.700 11.861 14.509 1.00 21.43 H new ATOM 0 HG2 PRO A 83 -10.261 10.719 13.570 1.00 13.23 H new ATOM 0 HG3 PRO A 83 -9.666 12.361 13.426 1.00 13.23 H new ATOM 0 HD2 PRO A 83 -9.633 10.289 11.399 1.00 75.22 H new ATOM 0 HD3 PRO A 83 -9.074 11.943 11.243 1.00 75.22 H new ATOM 1318 N LYS A 84 -6.520 7.852 13.652 1.00 21.30 N ATOM 1319 CA LYS A 84 -6.555 6.431 14.003 1.00 71.33 C ATOM 1320 C LYS A 84 -5.516 6.166 15.054 1.00 54.01 C ATOM 1321 O LYS A 84 -4.480 6.853 15.088 1.00 65.02 O ATOM 1322 CB LYS A 84 -6.309 5.464 12.802 1.00 74.23 C ATOM 1323 CG LYS A 84 -7.544 5.001 12.008 1.00 3.25 C ATOM 1324 CD LYS A 84 -8.225 6.095 11.226 1.00 44.54 C ATOM 1325 CE LYS A 84 -9.462 5.557 10.516 1.00 31.50 C ATOM 1326 NZ LYS A 84 -10.132 6.585 9.714 1.00 15.04 N ATOM 0 H LYS A 84 -5.572 8.212 13.538 1.00 21.30 H new ATOM 0 HA LYS A 84 -7.565 6.229 14.360 1.00 71.33 H new ATOM 0 HB2 LYS A 84 -5.625 5.954 12.108 1.00 74.23 H new ATOM 0 HB3 LYS A 84 -5.799 4.578 13.180 1.00 74.23 H new ATOM 0 HG2 LYS A 84 -7.244 4.211 11.319 1.00 3.25 H new ATOM 0 HG3 LYS A 84 -8.263 4.564 12.700 1.00 3.25 H new ATOM 0 HD2 LYS A 84 -8.508 6.906 11.896 1.00 44.54 H new ATOM 0 HD3 LYS A 84 -7.532 6.512 10.495 1.00 44.54 H new ATOM 0 HE2 LYS A 84 -9.176 4.725 9.872 1.00 31.50 H new ATOM 0 HE3 LYS A 84 -10.160 5.163 11.255 1.00 31.50 H new ATOM 0 HZ1 LYS A 84 -11.037 6.214 9.360 1.00 15.04 H new ATOM 0 HZ2 LYS A 84 -10.308 7.424 10.302 1.00 15.04 H new ATOM 0 HZ3 LYS A 84 -9.527 6.847 8.910 1.00 15.04 H new ATOM 1340 N THR A 85 -5.769 5.197 15.901 1.00 63.44 N ATOM 1341 CA THR A 85 -4.833 4.840 16.926 1.00 3.04 C ATOM 1342 C THR A 85 -3.649 4.089 16.268 1.00 33.01 C ATOM 1343 O THR A 85 -3.843 3.371 15.279 1.00 34.00 O ATOM 1344 CB THR A 85 -5.550 3.920 17.941 1.00 12.32 C ATOM 1345 OG1 THR A 85 -6.715 4.577 18.461 1.00 11.22 O ATOM 1346 CG2 THR A 85 -4.650 3.534 19.083 1.00 22.13 C ATOM 0 H THR A 85 -6.624 4.641 15.895 1.00 63.44 H new ATOM 0 HA THR A 85 -4.458 5.725 17.441 1.00 3.04 H new ATOM 0 HB THR A 85 -5.835 3.012 17.410 1.00 12.32 H new ATOM 0 HG1 THR A 85 -7.165 3.987 19.102 1.00 11.22 H new ATOM 0 HG21 THR A 85 -5.194 2.888 19.772 1.00 22.13 H new ATOM 0 HG22 THR A 85 -3.780 3.003 18.697 1.00 22.13 H new ATOM 0 HG23 THR A 85 -4.323 4.432 19.608 1.00 22.13 H new ATOM 1354 N HIS A 86 -2.446 4.233 16.830 1.00 5.31 N ATOM 1355 CA HIS A 86 -1.243 3.608 16.265 1.00 45.10 C ATOM 1356 C HIS A 86 -1.300 2.082 16.375 1.00 15.04 C ATOM 1357 O HIS A 86 -0.762 1.371 15.536 1.00 72.54 O ATOM 1358 CB HIS A 86 0.040 4.186 16.909 1.00 53.11 C ATOM 1359 CG HIS A 86 1.330 3.638 16.344 1.00 51.22 C ATOM 1360 ND1 HIS A 86 2.296 3.039 17.115 1.00 54.34 N ATOM 1361 CD2 HIS A 86 1.816 3.635 15.078 1.00 12.50 C ATOM 1362 CE1 HIS A 86 3.309 2.690 16.358 1.00 61.31 C ATOM 1363 NE2 HIS A 86 3.047 3.040 15.118 1.00 21.14 N ATOM 0 H HIS A 86 -2.277 4.777 17.676 1.00 5.31 H new ATOM 0 HA HIS A 86 -1.210 3.849 15.202 1.00 45.10 H new ATOM 0 HB2 HIS A 86 0.036 5.269 16.786 1.00 53.11 H new ATOM 0 HB3 HIS A 86 0.014 3.987 17.980 1.00 53.11 H new ATOM 0 HD2 HIS A 86 1.323 4.029 14.202 1.00 12.50 H new ATOM 0 HE1 HIS A 86 4.208 2.197 16.697 1.00 61.31 H new ATOM 0 HE2 HIS A 86 3.661 2.892 14.317 1.00 21.14 H new ATOM 1372 N LEU A 87 -1.944 1.595 17.401 1.00 12.42 N ATOM 1373 CA LEU A 87 -2.128 0.159 17.558 1.00 25.11 C ATOM 1374 C LEU A 87 -3.216 -0.361 16.618 1.00 74.43 C ATOM 1375 O LEU A 87 -3.119 -1.471 16.102 1.00 42.52 O ATOM 1376 CB LEU A 87 -2.502 -0.192 19.007 1.00 54.04 C ATOM 1377 CG LEU A 87 -1.472 0.137 20.086 1.00 54.14 C ATOM 1378 CD1 LEU A 87 -2.008 -0.220 21.463 1.00 13.15 C ATOM 1379 CD2 LEU A 87 -0.172 -0.597 19.825 1.00 73.54 C ATOM 0 H LEU A 87 -2.353 2.161 18.144 1.00 12.42 H new ATOM 0 HA LEU A 87 -1.181 -0.318 17.306 1.00 25.11 H new ATOM 0 HB2 LEU A 87 -3.429 0.327 19.253 1.00 54.04 H new ATOM 0 HB3 LEU A 87 -2.713 -1.260 19.054 1.00 54.04 H new ATOM 0 HG LEU A 87 -1.278 1.209 20.055 1.00 54.14 H new ATOM 0 HD11 LEU A 87 -1.260 0.022 22.218 1.00 13.15 H new ATOM 0 HD12 LEU A 87 -2.917 0.348 21.658 1.00 13.15 H new ATOM 0 HD13 LEU A 87 -2.231 -1.286 21.501 1.00 13.15 H new ATOM 0 HD21 LEU A 87 0.549 -0.349 20.604 1.00 73.54 H new ATOM 0 HD22 LEU A 87 -0.354 -1.672 19.827 1.00 73.54 H new ATOM 0 HD23 LEU A 87 0.226 -0.299 18.855 1.00 73.54 H new ATOM 1391 N GLU A 88 -4.213 0.476 16.359 1.00 74.25 N ATOM 1392 CA GLU A 88 -5.409 0.066 15.639 1.00 51.21 C ATOM 1393 C GLU A 88 -5.120 -0.336 14.192 1.00 21.00 C ATOM 1394 O GLU A 88 -5.576 -1.381 13.731 1.00 74.55 O ATOM 1395 CB GLU A 88 -6.463 1.165 15.665 1.00 52.34 C ATOM 1396 CG GLU A 88 -7.827 0.726 15.164 1.00 30.31 C ATOM 1397 CD GLU A 88 -8.492 -0.263 16.108 1.00 41.10 C ATOM 1398 OE1 GLU A 88 -8.175 -1.457 16.073 1.00 1.33 O ATOM 1399 OE2 GLU A 88 -9.357 0.153 16.901 1.00 13.32 O ATOM 0 H GLU A 88 -4.214 1.456 16.642 1.00 74.25 H new ATOM 0 HA GLU A 88 -5.789 -0.815 16.156 1.00 51.21 H new ATOM 0 HB2 GLU A 88 -6.564 1.533 16.686 1.00 52.34 H new ATOM 0 HB3 GLU A 88 -6.116 2.001 15.058 1.00 52.34 H new ATOM 0 HG2 GLU A 88 -8.468 1.600 15.045 1.00 30.31 H new ATOM 0 HG3 GLU A 88 -7.722 0.272 14.179 1.00 30.31 H new ATOM 1406 N LEU A 89 -4.351 0.478 13.477 1.00 53.33 N ATOM 1407 CA LEU A 89 -4.099 0.185 12.070 1.00 65.04 C ATOM 1408 C LEU A 89 -3.265 -1.075 11.884 1.00 73.14 C ATOM 1409 O LEU A 89 -3.435 -1.786 10.895 1.00 43.11 O ATOM 1410 CB LEU A 89 -3.521 1.369 11.244 1.00 14.41 C ATOM 1411 CG LEU A 89 -2.077 1.839 11.516 1.00 34.13 C ATOM 1412 CD1 LEU A 89 -1.667 2.832 10.462 1.00 53.01 C ATOM 1413 CD2 LEU A 89 -1.944 2.492 12.867 1.00 62.11 C ATOM 0 H LEU A 89 -3.903 1.322 13.834 1.00 53.33 H new ATOM 0 HA LEU A 89 -5.092 0.006 11.657 1.00 65.04 H new ATOM 0 HB2 LEU A 89 -3.585 1.097 10.190 1.00 14.41 H new ATOM 0 HB3 LEU A 89 -4.179 2.225 11.393 1.00 14.41 H new ATOM 0 HG LEU A 89 -1.435 0.959 11.493 1.00 34.13 H new ATOM 0 HD11 LEU A 89 -0.647 3.165 10.653 1.00 53.01 H new ATOM 0 HD12 LEU A 89 -1.717 2.362 9.480 1.00 53.01 H new ATOM 0 HD13 LEU A 89 -2.339 3.689 10.489 1.00 53.01 H new ATOM 0 HD21 LEU A 89 -0.912 2.808 13.018 1.00 62.11 H new ATOM 0 HD22 LEU A 89 -2.601 3.361 12.918 1.00 62.11 H new ATOM 0 HD23 LEU A 89 -2.223 1.780 13.644 1.00 62.11 H new ATOM 1425 N LYS A 90 -2.371 -1.370 12.841 1.00 11.12 N ATOM 1426 CA LYS A 90 -1.546 -2.562 12.721 1.00 70.32 C ATOM 1427 C LYS A 90 -2.444 -3.799 12.834 1.00 1.24 C ATOM 1428 O LYS A 90 -2.244 -4.800 12.152 1.00 31.32 O ATOM 1429 CB LYS A 90 -0.434 -2.624 13.787 1.00 15.42 C ATOM 1430 CG LYS A 90 0.628 -3.682 13.443 1.00 45.11 C ATOM 1431 CD LYS A 90 1.668 -3.898 14.555 1.00 53.03 C ATOM 1432 CE LYS A 90 2.497 -2.656 14.839 1.00 11.54 C ATOM 1433 NZ LYS A 90 3.527 -2.894 15.872 1.00 22.44 N ATOM 0 H LYS A 90 -2.210 -0.812 13.680 1.00 11.12 H new ATOM 0 HA LYS A 90 -1.052 -2.530 11.750 1.00 70.32 H new ATOM 0 HB2 LYS A 90 0.041 -1.647 13.874 1.00 15.42 H new ATOM 0 HB3 LYS A 90 -0.873 -2.852 14.758 1.00 15.42 H new ATOM 0 HG2 LYS A 90 0.130 -4.629 13.234 1.00 45.11 H new ATOM 0 HG3 LYS A 90 1.142 -3.384 12.529 1.00 45.11 H new ATOM 0 HD2 LYS A 90 1.158 -4.205 15.468 1.00 53.03 H new ATOM 0 HD3 LYS A 90 2.332 -4.715 14.271 1.00 53.03 H new ATOM 0 HE2 LYS A 90 2.978 -2.325 13.919 1.00 11.54 H new ATOM 0 HE3 LYS A 90 1.840 -1.849 15.163 1.00 11.54 H new ATOM 0 HZ1 LYS A 90 4.067 -2.020 16.032 1.00 22.44 H new ATOM 0 HZ2 LYS A 90 3.068 -3.185 16.759 1.00 22.44 H new ATOM 0 HZ3 LYS A 90 4.172 -3.645 15.553 1.00 22.44 H new ATOM 1447 N LYS A 91 -3.469 -3.685 13.681 1.00 74.33 N ATOM 1448 CA LYS A 91 -4.461 -4.748 13.882 1.00 51.45 C ATOM 1449 C LYS A 91 -5.212 -5.018 12.590 1.00 41.23 C ATOM 1450 O LYS A 91 -5.601 -6.154 12.300 1.00 34.41 O ATOM 1451 CB LYS A 91 -5.461 -4.322 14.945 1.00 24.13 C ATOM 1452 CG LYS A 91 -4.879 -4.151 16.333 1.00 44.34 C ATOM 1453 CD LYS A 91 -5.872 -3.465 17.258 1.00 12.20 C ATOM 1454 CE LYS A 91 -7.206 -4.190 17.335 1.00 44.11 C ATOM 1455 NZ LYS A 91 -8.183 -3.421 18.128 1.00 62.54 N ATOM 0 H LYS A 91 -3.636 -2.854 14.248 1.00 74.33 H new ATOM 0 HA LYS A 91 -3.940 -5.652 14.198 1.00 51.45 H new ATOM 0 HB2 LYS A 91 -5.916 -3.380 14.639 1.00 24.13 H new ATOM 0 HB3 LYS A 91 -6.260 -5.062 14.990 1.00 24.13 H new ATOM 0 HG2 LYS A 91 -4.609 -5.125 16.741 1.00 44.34 H new ATOM 0 HG3 LYS A 91 -3.962 -3.564 16.277 1.00 44.34 H new ATOM 0 HD2 LYS A 91 -5.443 -3.397 18.258 1.00 12.20 H new ATOM 0 HD3 LYS A 91 -6.038 -2.445 16.912 1.00 12.20 H new ATOM 0 HE2 LYS A 91 -7.595 -4.350 16.329 1.00 44.11 H new ATOM 0 HE3 LYS A 91 -7.064 -5.174 17.782 1.00 44.11 H new ATOM 0 HZ1 LYS A 91 -9.043 -3.989 18.265 1.00 62.54 H new ATOM 0 HZ2 LYS A 91 -7.771 -3.187 19.054 1.00 62.54 H new ATOM 0 HZ3 LYS A 91 -8.424 -2.543 17.625 1.00 62.54 H new ATOM 1469 N LEU A 92 -5.430 -3.967 11.832 1.00 53.14 N ATOM 1470 CA LEU A 92 -6.100 -4.067 10.566 1.00 52.24 C ATOM 1471 C LEU A 92 -5.239 -4.719 9.514 1.00 23.44 C ATOM 1472 O LEU A 92 -5.747 -5.382 8.615 1.00 13.34 O ATOM 1473 CB LEU A 92 -6.596 -2.722 10.103 1.00 62.43 C ATOM 1474 CG LEU A 92 -7.641 -2.074 10.995 1.00 10.45 C ATOM 1475 CD1 LEU A 92 -8.100 -0.755 10.403 1.00 55.44 C ATOM 1476 CD2 LEU A 92 -8.818 -3.016 11.191 1.00 41.53 C ATOM 0 H LEU A 92 -5.145 -3.020 12.081 1.00 53.14 H new ATOM 0 HA LEU A 92 -6.964 -4.714 10.717 1.00 52.24 H new ATOM 0 HB2 LEU A 92 -5.744 -2.047 10.020 1.00 62.43 H new ATOM 0 HB3 LEU A 92 -7.014 -2.832 9.102 1.00 62.43 H new ATOM 0 HG LEU A 92 -7.195 -1.871 11.969 1.00 10.45 H new ATOM 0 HD11 LEU A 92 -8.849 -0.304 11.055 1.00 55.44 H new ATOM 0 HD12 LEU A 92 -7.248 -0.082 10.310 1.00 55.44 H new ATOM 0 HD13 LEU A 92 -8.534 -0.929 9.418 1.00 55.44 H new ATOM 0 HD21 LEU A 92 -9.561 -2.541 11.832 1.00 41.53 H new ATOM 0 HD22 LEU A 92 -9.266 -3.245 10.224 1.00 41.53 H new ATOM 0 HD23 LEU A 92 -8.472 -3.938 11.658 1.00 41.53 H new ATOM 1488 N ILE A 93 -3.951 -4.555 9.613 1.00 32.21 N ATOM 1489 CA ILE A 93 -3.089 -5.222 8.678 1.00 31.51 C ATOM 1490 C ILE A 93 -3.010 -6.695 9.044 1.00 5.21 C ATOM 1491 O ILE A 93 -3.071 -7.576 8.180 1.00 74.52 O ATOM 1492 CB ILE A 93 -1.686 -4.587 8.587 1.00 43.52 C ATOM 1493 CG1 ILE A 93 -1.820 -3.108 8.204 1.00 40.22 C ATOM 1494 CG2 ILE A 93 -0.845 -5.332 7.566 1.00 65.52 C ATOM 1495 CD1 ILE A 93 -0.522 -2.423 7.851 1.00 43.24 C ATOM 0 H ILE A 93 -3.482 -3.980 10.313 1.00 32.21 H new ATOM 0 HA ILE A 93 -3.520 -5.111 7.683 1.00 31.51 H new ATOM 0 HB ILE A 93 -1.189 -4.657 9.555 1.00 43.52 H new ATOM 0 HG12 ILE A 93 -2.499 -3.028 7.355 1.00 40.22 H new ATOM 0 HG13 ILE A 93 -2.282 -2.573 9.034 1.00 40.22 H new ATOM 0 HG21 ILE A 93 0.144 -4.877 7.508 1.00 65.52 H new ATOM 0 HG22 ILE A 93 -0.748 -6.375 7.866 1.00 65.52 H new ATOM 0 HG23 ILE A 93 -1.327 -5.279 6.590 1.00 65.52 H new ATOM 0 HD11 ILE A 93 -0.718 -1.382 7.595 1.00 43.24 H new ATOM 0 HD12 ILE A 93 0.155 -2.465 8.704 1.00 43.24 H new ATOM 0 HD13 ILE A 93 -0.065 -2.927 6.999 1.00 43.24 H new ATOM 1507 N GLY A 94 -2.961 -6.956 10.341 1.00 20.24 N ATOM 1508 CA GLY A 94 -2.933 -8.322 10.841 1.00 43.23 C ATOM 1509 C GLY A 94 -4.222 -9.054 10.512 1.00 0.22 C ATOM 1510 O GLY A 94 -4.248 -10.280 10.405 1.00 33.21 O ATOM 0 H GLY A 94 -2.940 -6.240 11.067 1.00 20.24 H new ATOM 0 HA2 GLY A 94 -2.088 -8.854 10.405 1.00 43.23 H new ATOM 0 HA3 GLY A 94 -2.782 -8.314 11.920 1.00 43.23 H new ATOM 1514 N GLU A 95 -5.274 -8.279 10.334 1.00 3.13 N ATOM 1515 CA GLU A 95 -6.601 -8.754 9.969 1.00 11.42 C ATOM 1516 C GLU A 95 -6.535 -9.496 8.621 1.00 24.44 C ATOM 1517 O GLU A 95 -7.166 -10.535 8.430 1.00 32.34 O ATOM 1518 CB GLU A 95 -7.513 -7.530 9.827 1.00 31.40 C ATOM 1519 CG GLU A 95 -8.970 -7.819 9.592 1.00 54.15 C ATOM 1520 CD GLU A 95 -9.617 -8.466 10.789 1.00 22.44 C ATOM 1521 OE1 GLU A 95 -10.060 -7.737 11.693 1.00 51.35 O ATOM 1522 OE2 GLU A 95 -9.684 -9.708 10.849 1.00 31.23 O ATOM 0 H GLU A 95 -5.230 -7.266 10.443 1.00 3.13 H new ATOM 0 HA GLU A 95 -6.982 -9.436 10.729 1.00 11.42 H new ATOM 0 HB2 GLU A 95 -7.423 -6.928 10.731 1.00 31.40 H new ATOM 0 HB3 GLU A 95 -7.146 -6.921 9.001 1.00 31.40 H new ATOM 0 HG2 GLU A 95 -9.490 -6.891 9.356 1.00 54.15 H new ATOM 0 HG3 GLU A 95 -9.075 -8.472 8.726 1.00 54.15 H new ATOM 1529 N VAL A 96 -5.756 -8.952 7.712 1.00 33.31 N ATOM 1530 CA VAL A 96 -5.608 -9.515 6.380 1.00 60.31 C ATOM 1531 C VAL A 96 -4.406 -10.452 6.293 1.00 54.42 C ATOM 1532 O VAL A 96 -4.524 -11.601 5.845 1.00 3.43 O ATOM 1533 CB VAL A 96 -5.402 -8.372 5.348 1.00 30.52 C ATOM 1534 CG1 VAL A 96 -4.903 -8.893 4.029 1.00 72.32 C ATOM 1535 CG2 VAL A 96 -6.671 -7.632 5.098 1.00 75.12 C ATOM 0 H VAL A 96 -5.206 -8.108 7.871 1.00 33.31 H new ATOM 0 HA VAL A 96 -6.515 -10.079 6.164 1.00 60.31 H new ATOM 0 HB VAL A 96 -4.658 -7.704 5.782 1.00 30.52 H new ATOM 0 HG11 VAL A 96 -4.772 -8.062 3.336 1.00 72.32 H new ATOM 0 HG12 VAL A 96 -3.948 -9.398 4.175 1.00 72.32 H new ATOM 0 HG13 VAL A 96 -5.627 -9.597 3.619 1.00 72.32 H new ATOM 0 HG21 VAL A 96 -6.493 -6.839 4.372 1.00 75.12 H new ATOM 0 HG22 VAL A 96 -7.422 -8.319 4.708 1.00 75.12 H new ATOM 0 HG23 VAL A 96 -7.028 -7.196 6.031 1.00 75.12 H new ATOM 1545 N SER A 97 -3.291 -9.978 6.763 1.00 55.00 N ATOM 1546 CA SER A 97 -2.037 -10.653 6.619 1.00 44.03 C ATOM 1547 C SER A 97 -1.953 -11.943 7.423 1.00 1.10 C ATOM 1548 O SER A 97 -1.440 -12.949 6.921 1.00 62.52 O ATOM 1549 CB SER A 97 -0.939 -9.682 6.982 1.00 43.11 C ATOM 1550 OG SER A 97 -1.054 -8.539 6.166 1.00 20.44 O ATOM 0 H SER A 97 -3.227 -9.094 7.267 1.00 55.00 H new ATOM 0 HA SER A 97 -1.925 -10.972 5.583 1.00 44.03 H new ATOM 0 HB2 SER A 97 -1.014 -9.404 8.033 1.00 43.11 H new ATOM 0 HB3 SER A 97 0.037 -10.147 6.844 1.00 43.11 H new ATOM 0 HG SER A 97 -0.184 -8.336 5.763 1.00 20.44 H new ATOM 1556 N SER A 98 -2.459 -11.912 8.655 1.00 71.43 N ATOM 1557 CA SER A 98 -2.450 -13.060 9.581 1.00 0.11 C ATOM 1558 C SER A 98 -1.018 -13.439 10.061 1.00 42.31 C ATOM 1559 O SER A 98 -0.769 -13.554 11.263 1.00 54.21 O ATOM 1560 CB SER A 98 -3.188 -14.269 8.973 1.00 44.22 C ATOM 1561 OG SER A 98 -4.522 -13.914 8.606 1.00 35.11 O ATOM 0 H SER A 98 -2.895 -11.079 9.051 1.00 71.43 H new ATOM 0 HA SER A 98 -2.993 -12.748 10.473 1.00 0.11 H new ATOM 0 HB2 SER A 98 -2.648 -14.628 8.097 1.00 44.22 H new ATOM 0 HB3 SER A 98 -3.209 -15.088 9.692 1.00 44.22 H new ATOM 0 HG SER A 98 -4.974 -14.694 8.221 1.00 35.11 H new ATOM 1567 N GLY A 99 -0.094 -13.611 9.130 1.00 33.30 N ATOM 1568 CA GLY A 99 1.258 -13.967 9.485 1.00 12.45 C ATOM 1569 C GLY A 99 2.196 -12.778 9.485 1.00 63.53 C ATOM 1570 O GLY A 99 2.900 -12.546 10.463 1.00 52.00 O ATOM 0 H GLY A 99 -0.260 -13.509 8.129 1.00 33.30 H new ATOM 0 HA2 GLY A 99 1.261 -14.426 10.474 1.00 12.45 H new ATOM 0 HA3 GLY A 99 1.628 -14.716 8.785 1.00 12.45 H new ATOM 1574 N SER A 100 2.195 -12.023 8.389 1.00 75.45 N ATOM 1575 CA SER A 100 3.072 -10.858 8.239 1.00 31.22 C ATOM 1576 C SER A 100 2.790 -9.801 9.326 1.00 3.14 C ATOM 1577 O SER A 100 3.710 -9.171 9.848 1.00 35.21 O ATOM 1578 CB SER A 100 2.914 -10.272 6.837 1.00 54.42 C ATOM 1579 OG SER A 100 3.137 -11.279 5.850 1.00 42.43 O ATOM 0 H SER A 100 1.593 -12.197 7.584 1.00 75.45 H new ATOM 0 HA SER A 100 4.106 -11.178 8.368 1.00 31.22 H new ATOM 0 HB2 SER A 100 1.914 -9.855 6.721 1.00 54.42 H new ATOM 0 HB3 SER A 100 3.619 -9.453 6.696 1.00 54.42 H new ATOM 0 HG SER A 100 3.031 -10.891 4.957 1.00 42.43 H new ATOM 1585 N GLY A 101 1.515 -9.615 9.649 1.00 64.25 N ATOM 1586 CA GLY A 101 1.117 -8.747 10.748 1.00 75.04 C ATOM 1587 C GLY A 101 1.165 -7.259 10.457 1.00 21.44 C ATOM 1588 O GLY A 101 0.154 -6.582 10.540 1.00 53.10 O ATOM 0 H GLY A 101 0.736 -10.057 9.161 1.00 64.25 H new ATOM 0 HA2 GLY A 101 0.101 -9.009 11.045 1.00 75.04 H new ATOM 0 HA3 GLY A 101 1.762 -8.953 11.602 1.00 75.04 H new ATOM 1592 N GLU A 102 2.326 -6.757 10.114 1.00 5.22 N ATOM 1593 CA GLU A 102 2.497 -5.318 9.958 1.00 62.51 C ATOM 1594 C GLU A 102 2.593 -4.913 8.480 1.00 21.01 C ATOM 1595 O GLU A 102 2.475 -3.741 8.137 1.00 53.32 O ATOM 1596 CB GLU A 102 3.724 -4.838 10.763 1.00 12.43 C ATOM 1597 CG GLU A 102 3.913 -3.338 10.788 1.00 13.44 C ATOM 1598 CD GLU A 102 5.111 -2.913 11.583 1.00 24.55 C ATOM 1599 OE1 GLU A 102 6.232 -2.917 11.043 1.00 74.41 O ATOM 1600 OE2 GLU A 102 4.954 -2.573 12.765 1.00 24.54 O ATOM 0 H GLU A 102 3.164 -7.310 9.937 1.00 5.22 H new ATOM 0 HA GLU A 102 1.611 -4.824 10.358 1.00 62.51 H new ATOM 0 HB2 GLU A 102 3.632 -5.197 11.788 1.00 12.43 H new ATOM 0 HB3 GLU A 102 4.619 -5.297 10.344 1.00 12.43 H new ATOM 0 HG2 GLU A 102 4.013 -2.973 9.766 1.00 13.44 H new ATOM 0 HG3 GLU A 102 3.021 -2.872 11.207 1.00 13.44 H new ATOM 1607 N THR A 103 2.804 -5.875 7.623 1.00 3.24 N ATOM 1608 CA THR A 103 2.880 -5.631 6.204 1.00 12.44 C ATOM 1609 C THR A 103 1.699 -6.256 5.473 1.00 12.11 C ATOM 1610 O THR A 103 1.199 -7.301 5.884 1.00 2.34 O ATOM 1611 CB THR A 103 4.184 -6.208 5.621 1.00 70.54 C ATOM 1612 OG1 THR A 103 4.394 -7.535 6.126 1.00 42.01 O ATOM 1613 CG2 THR A 103 5.385 -5.337 5.925 1.00 3.13 C ATOM 0 H THR A 103 2.929 -6.852 7.887 1.00 3.24 H new ATOM 0 HA THR A 103 2.859 -4.551 6.062 1.00 12.44 H new ATOM 0 HB THR A 103 4.076 -6.237 4.537 1.00 70.54 H new ATOM 0 HG1 THR A 103 5.223 -7.900 5.752 1.00 42.01 H new ATOM 0 HG21 THR A 103 6.279 -5.786 5.493 1.00 3.13 H new ATOM 0 HG22 THR A 103 5.234 -4.346 5.497 1.00 3.13 H new ATOM 0 HG23 THR A 103 5.508 -5.251 7.005 1.00 3.13 H new ATOM 1621 N PHE A 104 1.280 -5.625 4.393 1.00 45.45 N ATOM 1622 CA PHE A 104 0.231 -6.144 3.525 1.00 25.42 C ATOM 1623 C PHE A 104 0.848 -6.653 2.286 1.00 65.54 C ATOM 1624 O PHE A 104 1.969 -6.288 1.946 1.00 53.31 O ATOM 1625 CB PHE A 104 -0.734 -5.049 3.026 1.00 54.32 C ATOM 1626 CG PHE A 104 -1.858 -4.634 3.900 1.00 3.12 C ATOM 1627 CD1 PHE A 104 -2.884 -5.513 4.154 1.00 13.31 C ATOM 1628 CD2 PHE A 104 -1.929 -3.357 4.416 1.00 22.01 C ATOM 1629 CE1 PHE A 104 -3.957 -5.144 4.913 1.00 74.51 C ATOM 1630 CE2 PHE A 104 -3.012 -2.971 5.176 1.00 35.23 C ATOM 1631 CZ PHE A 104 -4.028 -3.868 5.428 1.00 32.34 C ATOM 0 H PHE A 104 1.659 -4.729 4.087 1.00 45.45 H new ATOM 0 HA PHE A 104 -0.301 -6.892 4.114 1.00 25.42 H new ATOM 0 HB2 PHE A 104 -0.141 -4.161 2.808 1.00 54.32 H new ATOM 0 HB3 PHE A 104 -1.159 -5.389 2.081 1.00 54.32 H new ATOM 0 HD1 PHE A 104 -2.840 -6.512 3.746 1.00 13.31 H new ATOM 0 HD2 PHE A 104 -1.131 -2.655 4.223 1.00 22.01 H new ATOM 0 HE1 PHE A 104 -4.749 -5.851 5.110 1.00 74.51 H new ATOM 0 HE2 PHE A 104 -3.065 -1.968 5.573 1.00 35.23 H new ATOM 0 HZ PHE A 104 -4.876 -3.572 6.027 1.00 32.34 H new ATOM 1641 N SER A 105 0.118 -7.465 1.602 1.00 63.25 N ATOM 1642 CA SER A 105 0.548 -7.957 0.350 1.00 34.03 C ATOM 1643 C SER A 105 -0.627 -7.801 -0.606 1.00 65.43 C ATOM 1644 O SER A 105 -1.793 -7.897 -0.177 1.00 52.42 O ATOM 1645 CB SER A 105 0.994 -9.420 0.475 1.00 32.52 C ATOM 1646 OG SER A 105 1.538 -9.911 -0.747 1.00 12.14 O ATOM 0 H SER A 105 -0.796 -7.804 1.901 1.00 63.25 H new ATOM 0 HA SER A 105 1.411 -7.405 -0.024 1.00 34.03 H new ATOM 0 HB2 SER A 105 1.739 -9.507 1.266 1.00 32.52 H new ATOM 0 HB3 SER A 105 0.144 -10.036 0.768 1.00 32.52 H new ATOM 0 HG SER A 105 1.813 -10.844 -0.631 1.00 12.14 H new ATOM 1652 N TYR A 106 -0.333 -7.540 -1.862 1.00 23.03 N ATOM 1653 CA TYR A 106 -1.341 -7.268 -2.882 1.00 62.32 C ATOM 1654 C TYR A 106 -2.416 -8.392 -2.970 1.00 31.44 C ATOM 1655 O TYR A 106 -3.608 -8.103 -2.845 1.00 62.30 O ATOM 1656 CB TYR A 106 -0.644 -7.024 -4.233 1.00 64.14 C ATOM 1657 CG TYR A 106 -1.498 -6.433 -5.330 1.00 42.34 C ATOM 1658 CD1 TYR A 106 -2.232 -7.221 -6.184 1.00 70.50 C ATOM 1659 CD2 TYR A 106 -1.527 -5.075 -5.521 1.00 25.41 C ATOM 1660 CE1 TYR A 106 -2.973 -6.662 -7.211 1.00 13.02 C ATOM 1661 CE2 TYR A 106 -2.260 -4.499 -6.526 1.00 63.03 C ATOM 1662 CZ TYR A 106 -2.980 -5.299 -7.374 1.00 33.21 C ATOM 1663 OH TYR A 106 -3.702 -4.738 -8.382 1.00 54.31 O ATOM 0 H TYR A 106 0.624 -7.509 -2.215 1.00 23.03 H new ATOM 0 HA TYR A 106 -1.886 -6.367 -2.599 1.00 62.32 H new ATOM 0 HB2 TYR A 106 0.205 -6.361 -4.065 1.00 64.14 H new ATOM 0 HB3 TYR A 106 -0.242 -7.973 -4.587 1.00 64.14 H new ATOM 0 HD1 TYR A 106 -2.231 -8.293 -6.052 1.00 70.50 H new ATOM 0 HD2 TYR A 106 -0.955 -4.441 -4.860 1.00 25.41 H new ATOM 0 HE1 TYR A 106 -3.541 -7.293 -7.879 1.00 13.02 H new ATOM 0 HE2 TYR A 106 -2.270 -3.426 -6.648 1.00 63.03 H new ATOM 0 HH TYR A 106 -4.228 -5.431 -8.833 1.00 54.31 H new ATOM 1673 N PRO A 107 -2.024 -9.698 -3.159 1.00 75.04 N ATOM 1674 CA PRO A 107 -3.001 -10.791 -3.214 1.00 3.22 C ATOM 1675 C PRO A 107 -3.735 -10.981 -1.877 1.00 50.41 C ATOM 1676 O PRO A 107 -4.904 -11.354 -1.854 1.00 52.54 O ATOM 1677 CB PRO A 107 -2.156 -12.028 -3.550 1.00 41.34 C ATOM 1678 CG PRO A 107 -0.778 -11.672 -3.126 1.00 63.34 C ATOM 1679 CD PRO A 107 -0.641 -10.204 -3.360 1.00 14.21 C ATOM 0 HA PRO A 107 -3.785 -10.595 -3.945 1.00 3.22 H new ATOM 0 HB2 PRO A 107 -2.517 -12.910 -3.021 1.00 41.34 H new ATOM 0 HB3 PRO A 107 -2.196 -12.257 -4.615 1.00 41.34 H new ATOM 0 HG2 PRO A 107 -0.618 -11.916 -2.076 1.00 63.34 H new ATOM 0 HG3 PRO A 107 -0.037 -12.229 -3.699 1.00 63.34 H new ATOM 0 HD2 PRO A 107 0.060 -9.748 -2.661 1.00 14.21 H new ATOM 0 HD3 PRO A 107 -0.275 -9.989 -4.364 1.00 14.21 H new ATOM 1687 N ASP A 108 -3.052 -10.687 -0.771 1.00 33.03 N ATOM 1688 CA ASP A 108 -3.653 -10.839 0.550 1.00 32.33 C ATOM 1689 C ASP A 108 -4.728 -9.838 0.803 1.00 61.52 C ATOM 1690 O ASP A 108 -5.793 -10.190 1.296 1.00 14.01 O ATOM 1691 CB ASP A 108 -2.634 -10.854 1.694 1.00 11.30 C ATOM 1692 CG ASP A 108 -1.814 -12.116 1.731 1.00 64.11 C ATOM 1693 OD1 ASP A 108 -2.310 -13.139 2.238 1.00 54.54 O ATOM 1694 OD2 ASP A 108 -0.661 -12.108 1.270 1.00 33.51 O ATOM 0 H ASP A 108 -2.091 -10.345 -0.764 1.00 33.03 H new ATOM 0 HA ASP A 108 -4.112 -11.827 0.536 1.00 32.33 H new ATOM 0 HB2 ASP A 108 -1.968 -9.997 1.592 1.00 11.30 H new ATOM 0 HB3 ASP A 108 -3.158 -10.739 2.643 1.00 11.30 H new ATOM 1699 N PHE A 109 -4.470 -8.598 0.463 1.00 11.14 N ATOM 1700 CA PHE A 109 -5.450 -7.547 0.629 1.00 4.34 C ATOM 1701 C PHE A 109 -6.702 -7.892 -0.207 1.00 43.50 C ATOM 1702 O PHE A 109 -7.834 -7.652 0.215 1.00 75.00 O ATOM 1703 CB PHE A 109 -4.842 -6.218 0.182 1.00 10.42 C ATOM 1704 CG PHE A 109 -5.597 -4.992 0.621 1.00 2.44 C ATOM 1705 CD1 PHE A 109 -6.751 -4.583 -0.023 1.00 62.42 C ATOM 1706 CD2 PHE A 109 -5.136 -4.241 1.685 1.00 40.02 C ATOM 1707 CE1 PHE A 109 -7.423 -3.455 0.384 1.00 1.04 C ATOM 1708 CE2 PHE A 109 -5.801 -3.114 2.097 1.00 43.53 C ATOM 1709 CZ PHE A 109 -6.944 -2.721 1.446 1.00 73.33 C ATOM 0 H PHE A 109 -3.583 -8.289 0.066 1.00 11.14 H new ATOM 0 HA PHE A 109 -5.742 -7.458 1.675 1.00 4.34 H new ATOM 0 HB2 PHE A 109 -3.823 -6.155 0.565 1.00 10.42 H new ATOM 0 HB3 PHE A 109 -4.775 -6.214 -0.906 1.00 10.42 H new ATOM 0 HD1 PHE A 109 -7.129 -5.157 -0.856 1.00 62.42 H new ATOM 0 HD2 PHE A 109 -4.238 -4.546 2.201 1.00 40.02 H new ATOM 0 HE1 PHE A 109 -8.323 -3.146 -0.127 1.00 1.04 H new ATOM 0 HE2 PHE A 109 -5.427 -2.538 2.930 1.00 43.53 H new ATOM 0 HZ PHE A 109 -7.469 -1.834 1.768 1.00 73.33 H new ATOM 1719 N LEU A 110 -6.480 -8.501 -1.372 1.00 2.01 N ATOM 1720 CA LEU A 110 -7.563 -8.923 -2.231 1.00 54.51 C ATOM 1721 C LEU A 110 -8.389 -10.027 -1.613 1.00 72.43 C ATOM 1722 O LEU A 110 -9.588 -10.043 -1.797 1.00 33.21 O ATOM 1723 CB LEU A 110 -7.058 -9.315 -3.619 1.00 54.13 C ATOM 1724 CG LEU A 110 -6.598 -8.156 -4.496 1.00 54.15 C ATOM 1725 CD1 LEU A 110 -5.990 -8.662 -5.797 1.00 11.53 C ATOM 1726 CD2 LEU A 110 -7.782 -7.237 -4.790 1.00 51.31 C ATOM 0 H LEU A 110 -5.550 -8.710 -1.736 1.00 2.01 H new ATOM 0 HA LEU A 110 -8.222 -8.063 -2.349 1.00 54.51 H new ATOM 0 HB2 LEU A 110 -6.228 -10.012 -3.502 1.00 54.13 H new ATOM 0 HB3 LEU A 110 -7.853 -9.850 -4.139 1.00 54.13 H new ATOM 0 HG LEU A 110 -5.829 -7.599 -3.961 1.00 54.15 H new ATOM 0 HD11 LEU A 110 -5.671 -7.814 -6.403 1.00 11.53 H new ATOM 0 HD12 LEU A 110 -5.130 -9.294 -5.575 1.00 11.53 H new ATOM 0 HD13 LEU A 110 -6.734 -9.240 -6.345 1.00 11.53 H new ATOM 0 HD21 LEU A 110 -7.453 -6.408 -5.417 1.00 51.31 H new ATOM 0 HD22 LEU A 110 -8.558 -7.799 -5.309 1.00 51.31 H new ATOM 0 HD23 LEU A 110 -8.181 -6.847 -3.854 1.00 51.31 H new ATOM 1738 N ARG A 111 -7.748 -10.906 -0.836 1.00 4.14 N ATOM 1739 CA ARG A 111 -8.421 -12.053 -0.182 1.00 74.01 C ATOM 1740 C ARG A 111 -9.685 -11.623 0.557 1.00 4.54 C ATOM 1741 O ARG A 111 -10.733 -12.263 0.434 1.00 64.41 O ATOM 1742 CB ARG A 111 -7.467 -12.753 0.798 1.00 2.22 C ATOM 1743 CG ARG A 111 -6.278 -13.450 0.146 1.00 1.24 C ATOM 1744 CD ARG A 111 -5.274 -13.936 1.186 1.00 10.30 C ATOM 1745 NE ARG A 111 -5.858 -14.843 2.163 1.00 52.23 N ATOM 1746 CZ ARG A 111 -5.264 -15.207 3.310 1.00 22.12 C ATOM 1747 NH1 ARG A 111 -4.042 -14.742 3.629 1.00 32.12 N ATOM 1748 NH2 ARG A 111 -5.894 -16.030 4.143 1.00 64.41 N ATOM 0 H ARG A 111 -6.749 -10.850 -0.638 1.00 4.14 H new ATOM 0 HA ARG A 111 -8.707 -12.749 -0.971 1.00 74.01 H new ATOM 0 HB2 ARG A 111 -7.093 -12.016 1.508 1.00 2.22 H new ATOM 0 HB3 ARG A 111 -8.032 -13.489 1.370 1.00 2.22 H new ATOM 0 HG2 ARG A 111 -6.630 -14.296 -0.444 1.00 1.24 H new ATOM 0 HG3 ARG A 111 -5.786 -12.764 -0.543 1.00 1.24 H new ATOM 0 HD2 ARG A 111 -4.450 -14.439 0.680 1.00 10.30 H new ATOM 0 HD3 ARG A 111 -4.852 -13.075 1.705 1.00 10.30 H new ATOM 0 HE ARG A 111 -6.781 -15.228 1.962 1.00 52.23 H new ATOM 0 HH11 ARG A 111 -3.557 -14.106 2.996 1.00 32.12 H new ATOM 0 HH12 ARG A 111 -3.601 -15.026 4.504 1.00 32.12 H new ATOM 0 HH21 ARG A 111 -6.823 -16.380 3.908 1.00 64.41 H new ATOM 0 HH22 ARG A 111 -5.449 -16.311 5.017 1.00 64.41 H new ATOM 1762 N MET A 112 -9.587 -10.553 1.331 1.00 42.44 N ATOM 1763 CA MET A 112 -10.745 -10.057 2.046 1.00 72.44 C ATOM 1764 C MET A 112 -11.733 -9.313 1.143 1.00 33.01 C ATOM 1765 O MET A 112 -12.939 -9.380 1.347 1.00 54.44 O ATOM 1766 CB MET A 112 -10.373 -9.302 3.339 1.00 62.41 C ATOM 1767 CG MET A 112 -9.595 -8.055 3.152 1.00 31.52 C ATOM 1768 SD MET A 112 -10.570 -6.733 2.488 1.00 24.43 S ATOM 1769 CE MET A 112 -9.285 -5.622 2.193 1.00 15.45 C ATOM 0 H MET A 112 -8.729 -10.020 1.477 1.00 42.44 H new ATOM 0 HA MET A 112 -11.294 -10.935 2.386 1.00 72.44 H new ATOM 0 HB2 MET A 112 -11.291 -9.059 3.873 1.00 62.41 H new ATOM 0 HB3 MET A 112 -9.800 -9.974 3.978 1.00 62.41 H new ATOM 0 HG2 MET A 112 -9.176 -7.746 4.110 1.00 31.52 H new ATOM 0 HG3 MET A 112 -8.755 -8.252 2.485 1.00 31.52 H new ATOM 0 HE1 MET A 112 -9.612 -4.613 2.442 1.00 15.45 H new ATOM 0 HE2 MET A 112 -8.426 -5.887 2.810 1.00 15.45 H new ATOM 0 HE3 MET A 112 -9.003 -5.663 1.141 1.00 15.45 H new ATOM 1779 N MET A 113 -11.205 -8.644 0.121 1.00 41.12 N ATOM 1780 CA MET A 113 -12.004 -7.826 -0.799 1.00 53.02 C ATOM 1781 C MET A 113 -12.911 -8.698 -1.663 1.00 61.21 C ATOM 1782 O MET A 113 -14.086 -8.381 -1.890 1.00 22.42 O ATOM 1783 CB MET A 113 -11.079 -6.986 -1.693 1.00 53.42 C ATOM 1784 CG MET A 113 -11.808 -6.066 -2.663 1.00 51.43 C ATOM 1785 SD MET A 113 -12.829 -4.830 -1.829 1.00 65.21 S ATOM 1786 CE MET A 113 -11.580 -3.912 -0.922 1.00 71.30 C ATOM 0 H MET A 113 -10.208 -8.651 -0.096 1.00 41.12 H new ATOM 0 HA MET A 113 -12.633 -7.163 -0.205 1.00 53.02 H new ATOM 0 HB2 MET A 113 -10.429 -6.383 -1.058 1.00 53.42 H new ATOM 0 HB3 MET A 113 -10.436 -7.657 -2.262 1.00 53.42 H new ATOM 0 HG2 MET A 113 -11.078 -5.560 -3.294 1.00 51.43 H new ATOM 0 HG3 MET A 113 -12.437 -6.665 -3.321 1.00 51.43 H new ATOM 0 HE1 MET A 113 -12.002 -2.968 -0.576 1.00 71.30 H new ATOM 0 HE2 MET A 113 -11.249 -4.498 -0.065 1.00 71.30 H new ATOM 0 HE3 MET A 113 -10.730 -3.712 -1.575 1.00 71.30 H new ATOM 1796 N LEU A 114 -12.368 -9.792 -2.129 1.00 11.55 N ATOM 1797 CA LEU A 114 -13.092 -10.730 -2.965 1.00 3.11 C ATOM 1798 C LEU A 114 -13.720 -11.835 -2.123 1.00 4.42 C ATOM 1799 O LEU A 114 -14.217 -12.838 -2.646 1.00 73.25 O ATOM 1800 CB LEU A 114 -12.163 -11.271 -4.085 1.00 42.34 C ATOM 1801 CG LEU A 114 -10.789 -11.836 -3.661 1.00 0.23 C ATOM 1802 CD1 LEU A 114 -10.871 -13.157 -2.911 1.00 24.34 C ATOM 1803 CD2 LEU A 114 -9.834 -11.905 -4.828 1.00 23.22 C ATOM 0 H LEU A 114 -11.403 -10.065 -1.941 1.00 11.55 H new ATOM 0 HA LEU A 114 -13.918 -10.216 -3.456 1.00 3.11 H new ATOM 0 HB2 LEU A 114 -12.700 -12.056 -4.617 1.00 42.34 H new ATOM 0 HB3 LEU A 114 -11.990 -10.464 -4.797 1.00 42.34 H new ATOM 0 HG LEU A 114 -10.386 -11.124 -2.941 1.00 0.23 H new ATOM 0 HD11 LEU A 114 -9.867 -13.489 -2.648 1.00 24.34 H new ATOM 0 HD12 LEU A 114 -11.459 -13.024 -2.003 1.00 24.34 H new ATOM 0 HD13 LEU A 114 -11.346 -13.906 -3.544 1.00 24.34 H new ATOM 0 HD21 LEU A 114 -8.878 -12.307 -4.493 1.00 23.22 H new ATOM 0 HD22 LEU A 114 -10.249 -12.553 -5.600 1.00 23.22 H new ATOM 0 HD23 LEU A 114 -9.684 -10.905 -5.235 1.00 23.22 H new ATOM 1815 N GLY A 115 -13.711 -11.627 -0.829 1.00 4.21 N ATOM 1816 CA GLY A 115 -14.268 -12.571 0.085 1.00 64.10 C ATOM 1817 C GLY A 115 -15.207 -11.907 1.057 1.00 72.31 C ATOM 1818 O GLY A 115 -15.686 -10.789 0.814 1.00 52.10 O ATOM 0 H GLY A 115 -13.316 -10.796 -0.388 1.00 4.21 H new ATOM 0 HA2 GLY A 115 -14.801 -13.344 -0.468 1.00 64.10 H new ATOM 0 HA3 GLY A 115 -13.466 -13.067 0.632 1.00 64.10 H new ATOM 1822 N LYS A 116 -15.473 -12.572 2.151 1.00 14.23 N ATOM 1823 CA LYS A 116 -16.374 -12.062 3.166 1.00 51.41 C ATOM 1824 C LYS A 116 -15.632 -11.815 4.476 1.00 13.21 C ATOM 1825 O LYS A 116 -16.248 -11.639 5.525 1.00 43.33 O ATOM 1826 CB LYS A 116 -17.552 -13.029 3.367 1.00 42.33 C ATOM 1827 CG LYS A 116 -18.397 -13.218 2.113 1.00 62.34 C ATOM 1828 CD LYS A 116 -19.562 -14.169 2.335 1.00 23.14 C ATOM 1829 CE LYS A 116 -20.378 -14.321 1.057 1.00 62.34 C ATOM 1830 NZ LYS A 116 -21.506 -15.272 1.202 1.00 51.52 N ATOM 0 H LYS A 116 -15.073 -13.485 2.369 1.00 14.23 H new ATOM 0 HA LYS A 116 -16.773 -11.106 2.828 1.00 51.41 H new ATOM 0 HB2 LYS A 116 -17.168 -13.997 3.687 1.00 42.33 H new ATOM 0 HB3 LYS A 116 -18.186 -12.656 4.171 1.00 42.33 H new ATOM 0 HG2 LYS A 116 -18.779 -12.251 1.787 1.00 62.34 H new ATOM 0 HG3 LYS A 116 -17.768 -13.600 1.309 1.00 62.34 H new ATOM 0 HD2 LYS A 116 -19.189 -15.142 2.653 1.00 23.14 H new ATOM 0 HD3 LYS A 116 -20.198 -13.794 3.137 1.00 23.14 H new ATOM 0 HE2 LYS A 116 -20.767 -13.346 0.762 1.00 62.34 H new ATOM 0 HE3 LYS A 116 -19.725 -14.660 0.253 1.00 62.34 H new ATOM 0 HZ1 LYS A 116 -22.025 -15.335 0.303 1.00 51.52 H new ATOM 0 HZ2 LYS A 116 -21.138 -16.211 1.456 1.00 51.52 H new ATOM 0 HZ3 LYS A 116 -22.148 -14.938 1.949 1.00 51.52 H new ATOM 1844 N ARG A 117 -14.307 -11.777 4.399 1.00 32.23 N ATOM 1845 CA ARG A 117 -13.465 -11.509 5.566 1.00 75.14 C ATOM 1846 C ARG A 117 -13.705 -10.084 6.055 1.00 11.15 C ATOM 1847 O ARG A 117 -13.454 -9.123 5.327 1.00 13.44 O ATOM 1848 CB ARG A 117 -11.974 -11.701 5.221 1.00 44.23 C ATOM 1849 CG ARG A 117 -10.996 -11.360 6.359 1.00 43.44 C ATOM 1850 CD ARG A 117 -11.119 -12.309 7.539 1.00 54.43 C ATOM 1851 NE ARG A 117 -10.269 -11.898 8.665 1.00 32.41 N ATOM 1852 CZ ARG A 117 -9.572 -12.725 9.463 1.00 61.54 C ATOM 1853 NH1 ARG A 117 -9.521 -14.026 9.215 1.00 63.21 N ATOM 1854 NH2 ARG A 117 -8.921 -12.233 10.507 1.00 21.20 N ATOM 0 H ARG A 117 -13.786 -11.929 3.535 1.00 32.23 H new ATOM 0 HA ARG A 117 -13.729 -12.214 6.354 1.00 75.14 H new ATOM 0 HB2 ARG A 117 -11.816 -12.738 4.924 1.00 44.23 H new ATOM 0 HB3 ARG A 117 -11.733 -11.081 4.357 1.00 44.23 H new ATOM 0 HG2 ARG A 117 -9.975 -11.391 5.977 1.00 43.44 H new ATOM 0 HG3 ARG A 117 -11.179 -10.340 6.697 1.00 43.44 H new ATOM 0 HD2 ARG A 117 -12.158 -12.350 7.865 1.00 54.43 H new ATOM 0 HD3 ARG A 117 -10.844 -13.316 7.225 1.00 54.43 H new ATOM 0 HE ARG A 117 -10.202 -10.899 8.858 1.00 32.41 H new ATOM 0 HH11 ARG A 117 -10.015 -14.411 8.410 1.00 63.21 H new ATOM 0 HH12 ARG A 117 -8.988 -14.642 9.829 1.00 63.21 H new ATOM 0 HH21 ARG A 117 -8.951 -11.232 10.701 1.00 21.20 H new ATOM 0 HH22 ARG A 117 -8.390 -12.855 11.117 1.00 21.20 H new ATOM 1868 N SER A 118 -14.196 -9.962 7.261 1.00 52.31 N ATOM 1869 CA SER A 118 -14.479 -8.682 7.841 1.00 13.42 C ATOM 1870 C SER A 118 -13.190 -7.934 8.189 1.00 43.53 C ATOM 1871 O SER A 118 -12.522 -8.245 9.175 1.00 54.13 O ATOM 1872 CB SER A 118 -15.324 -8.875 9.084 1.00 61.32 C ATOM 1873 OG SER A 118 -16.485 -9.628 8.786 1.00 65.43 O ATOM 0 H SER A 118 -14.410 -10.753 7.868 1.00 52.31 H new ATOM 0 HA SER A 118 -15.024 -8.081 7.114 1.00 13.42 H new ATOM 0 HB2 SER A 118 -14.741 -9.384 9.851 1.00 61.32 H new ATOM 0 HB3 SER A 118 -15.608 -7.905 9.491 1.00 61.32 H new ATOM 0 HG SER A 118 -17.018 -9.744 9.600 1.00 65.43 H new ATOM 1879 N ALA A 119 -12.835 -7.005 7.351 1.00 43.42 N ATOM 1880 CA ALA A 119 -11.699 -6.156 7.559 1.00 40.33 C ATOM 1881 C ALA A 119 -12.142 -4.746 7.285 1.00 64.00 C ATOM 1882 O ALA A 119 -12.773 -4.496 6.261 1.00 65.41 O ATOM 1883 CB ALA A 119 -10.538 -6.560 6.627 1.00 20.13 C ATOM 0 H ALA A 119 -13.338 -6.812 6.485 1.00 43.42 H new ATOM 0 HA ALA A 119 -11.332 -6.248 8.581 1.00 40.33 H new ATOM 0 HB1 ALA A 119 -9.686 -5.903 6.801 1.00 20.13 H new ATOM 0 HB2 ALA A 119 -10.249 -7.591 6.832 1.00 20.13 H new ATOM 0 HB3 ALA A 119 -10.858 -6.472 5.589 1.00 20.13 H new ATOM 1889 N ILE A 120 -11.840 -3.822 8.194 1.00 63.02 N ATOM 1890 CA ILE A 120 -12.246 -2.407 8.032 1.00 40.05 C ATOM 1891 C ILE A 120 -11.724 -1.843 6.699 1.00 3.14 C ATOM 1892 O ILE A 120 -12.343 -0.976 6.085 1.00 41.32 O ATOM 1893 CB ILE A 120 -11.751 -1.519 9.219 1.00 12.04 C ATOM 1894 CG1 ILE A 120 -12.280 -2.071 10.552 1.00 74.25 C ATOM 1895 CG2 ILE A 120 -12.190 -0.060 9.037 1.00 3.40 C ATOM 1896 CD1 ILE A 120 -11.884 -1.255 11.765 1.00 63.12 C ATOM 0 H ILE A 120 -11.319 -4.015 9.049 1.00 63.02 H new ATOM 0 HA ILE A 120 -13.336 -2.383 8.029 1.00 40.05 H new ATOM 0 HB ILE A 120 -10.661 -1.546 9.231 1.00 12.04 H new ATOM 0 HG12 ILE A 120 -13.368 -2.124 10.504 1.00 74.25 H new ATOM 0 HG13 ILE A 120 -11.916 -3.090 10.680 1.00 74.25 H new ATOM 0 HG21 ILE A 120 -11.832 0.535 9.877 1.00 3.40 H new ATOM 0 HG22 ILE A 120 -11.772 0.333 8.110 1.00 3.40 H new ATOM 0 HG23 ILE A 120 -13.278 -0.010 8.994 1.00 3.40 H new ATOM 0 HD11 ILE A 120 -12.298 -1.714 12.663 1.00 63.12 H new ATOM 0 HD12 ILE A 120 -10.797 -1.222 11.842 1.00 63.12 H new ATOM 0 HD13 ILE A 120 -12.271 -0.241 11.664 1.00 63.12 H new ATOM 1908 N LEU A 121 -10.609 -2.395 6.246 1.00 10.31 N ATOM 1909 CA LEU A 121 -9.974 -2.004 4.992 1.00 43.32 C ATOM 1910 C LEU A 121 -10.929 -2.191 3.835 1.00 3.23 C ATOM 1911 O LEU A 121 -10.960 -1.392 2.923 1.00 74.21 O ATOM 1912 CB LEU A 121 -8.710 -2.835 4.688 1.00 3.20 C ATOM 1913 CG LEU A 121 -7.598 -2.871 5.730 1.00 73.12 C ATOM 1914 CD1 LEU A 121 -7.307 -1.497 6.266 1.00 72.44 C ATOM 1915 CD2 LEU A 121 -7.874 -3.873 6.835 1.00 62.20 C ATOM 0 H LEU A 121 -10.112 -3.135 6.742 1.00 10.31 H new ATOM 0 HA LEU A 121 -9.695 -0.957 5.108 1.00 43.32 H new ATOM 0 HB2 LEU A 121 -9.025 -3.862 4.503 1.00 3.20 H new ATOM 0 HB3 LEU A 121 -8.282 -2.460 3.758 1.00 3.20 H new ATOM 0 HG LEU A 121 -6.696 -3.219 5.226 1.00 73.12 H new ATOM 0 HD11 LEU A 121 -6.510 -1.557 7.007 1.00 72.44 H new ATOM 0 HD12 LEU A 121 -6.995 -0.846 5.449 1.00 72.44 H new ATOM 0 HD13 LEU A 121 -8.205 -1.090 6.731 1.00 72.44 H new ATOM 0 HD21 LEU A 121 -7.053 -3.860 7.551 1.00 62.20 H new ATOM 0 HD22 LEU A 121 -8.802 -3.609 7.342 1.00 62.20 H new ATOM 0 HD23 LEU A 121 -7.966 -4.871 6.407 1.00 62.20 H new ATOM 1927 N LYS A 122 -11.720 -3.246 3.904 1.00 42.31 N ATOM 1928 CA LYS A 122 -12.656 -3.591 2.856 1.00 31.03 C ATOM 1929 C LYS A 122 -13.665 -2.453 2.742 1.00 31.45 C ATOM 1930 O LYS A 122 -14.002 -2.026 1.660 1.00 42.32 O ATOM 1931 CB LYS A 122 -13.342 -4.936 3.229 1.00 44.53 C ATOM 1932 CG LYS A 122 -14.035 -5.723 2.097 1.00 15.45 C ATOM 1933 CD LYS A 122 -15.264 -5.056 1.511 1.00 12.24 C ATOM 1934 CE LYS A 122 -15.886 -5.956 0.448 1.00 12.35 C ATOM 1935 NZ LYS A 122 -17.123 -5.388 -0.121 1.00 13.24 N ATOM 0 H LYS A 122 -11.729 -3.890 4.695 1.00 42.31 H new ATOM 0 HA LYS A 122 -12.162 -3.721 1.893 1.00 31.03 H new ATOM 0 HB2 LYS A 122 -12.589 -5.584 3.676 1.00 44.53 H new ATOM 0 HB3 LYS A 122 -14.085 -4.732 4.000 1.00 44.53 H new ATOM 0 HG2 LYS A 122 -13.314 -5.889 1.297 1.00 15.45 H new ATOM 0 HG3 LYS A 122 -14.320 -6.704 2.478 1.00 15.45 H new ATOM 0 HD2 LYS A 122 -15.990 -4.854 2.299 1.00 12.24 H new ATOM 0 HD3 LYS A 122 -14.993 -4.095 1.073 1.00 12.24 H new ATOM 0 HE2 LYS A 122 -15.164 -6.120 -0.352 1.00 12.35 H new ATOM 0 HE3 LYS A 122 -16.105 -6.930 0.885 1.00 12.35 H new ATOM 0 HZ1 LYS A 122 -17.366 -5.893 -0.997 1.00 13.24 H new ATOM 0 HZ2 LYS A 122 -17.899 -5.489 0.564 1.00 13.24 H new ATOM 0 HZ3 LYS A 122 -16.977 -4.380 -0.332 1.00 13.24 H new ATOM 1949 N MET A 123 -14.069 -1.929 3.889 1.00 50.30 N ATOM 1950 CA MET A 123 -15.058 -0.854 3.961 1.00 23.15 C ATOM 1951 C MET A 123 -14.449 0.440 3.416 1.00 51.24 C ATOM 1952 O MET A 123 -15.059 1.133 2.593 1.00 4.21 O ATOM 1953 CB MET A 123 -15.513 -0.637 5.420 1.00 53.12 C ATOM 1954 CG MET A 123 -15.850 -1.922 6.181 1.00 0.54 C ATOM 1955 SD MET A 123 -17.039 -2.991 5.326 1.00 14.20 S ATOM 1956 CE MET A 123 -18.488 -1.947 5.284 1.00 44.23 C ATOM 0 H MET A 123 -13.723 -2.234 4.799 1.00 50.30 H new ATOM 0 HA MET A 123 -15.924 -1.133 3.361 1.00 23.15 H new ATOM 0 HB2 MET A 123 -14.726 -0.108 5.957 1.00 53.12 H new ATOM 0 HB3 MET A 123 -16.390 0.011 5.421 1.00 53.12 H new ATOM 0 HG2 MET A 123 -14.931 -2.482 6.353 1.00 0.54 H new ATOM 0 HG3 MET A 123 -16.251 -1.659 7.160 1.00 0.54 H new ATOM 0 HE1 MET A 123 -19.331 -2.510 4.883 1.00 44.23 H new ATOM 0 HE2 MET A 123 -18.724 -1.611 6.294 1.00 44.23 H new ATOM 0 HE3 MET A 123 -18.295 -1.082 4.649 1.00 44.23 H new ATOM 1966 N ILE A 124 -13.238 0.740 3.872 1.00 63.33 N ATOM 1967 CA ILE A 124 -12.489 1.930 3.454 1.00 22.22 C ATOM 1968 C ILE A 124 -12.260 1.895 1.944 1.00 34.55 C ATOM 1969 O ILE A 124 -12.508 2.867 1.241 1.00 50.14 O ATOM 1970 CB ILE A 124 -11.098 2.006 4.160 1.00 21.05 C ATOM 1971 CG1 ILE A 124 -11.235 1.930 5.692 1.00 35.20 C ATOM 1972 CG2 ILE A 124 -10.342 3.275 3.752 1.00 1.23 C ATOM 1973 CD1 ILE A 124 -12.095 3.008 6.312 1.00 2.51 C ATOM 0 H ILE A 124 -12.740 0.162 4.549 1.00 63.33 H new ATOM 0 HA ILE A 124 -13.078 2.803 3.734 1.00 22.22 H new ATOM 0 HB ILE A 124 -10.522 1.141 3.832 1.00 21.05 H new ATOM 0 HG12 ILE A 124 -11.651 0.958 5.957 1.00 35.20 H new ATOM 0 HG13 ILE A 124 -10.240 1.982 6.134 1.00 35.20 H new ATOM 0 HG21 ILE A 124 -9.377 3.302 4.258 1.00 1.23 H new ATOM 0 HG22 ILE A 124 -10.186 3.275 2.673 1.00 1.23 H new ATOM 0 HG23 ILE A 124 -10.925 4.152 4.034 1.00 1.23 H new ATOM 0 HD11 ILE A 124 -12.130 2.869 7.393 1.00 2.51 H new ATOM 0 HD12 ILE A 124 -11.672 3.986 6.085 1.00 2.51 H new ATOM 0 HD13 ILE A 124 -13.105 2.947 5.906 1.00 2.51 H new ATOM 1985 N LEU A 125 -11.799 0.767 1.454 1.00 55.41 N ATOM 1986 CA LEU A 125 -11.548 0.595 0.023 1.00 54.52 C ATOM 1987 C LEU A 125 -12.819 0.470 -0.832 1.00 4.43 C ATOM 1988 O LEU A 125 -12.740 0.412 -2.053 1.00 35.41 O ATOM 1989 CB LEU A 125 -10.509 -0.504 -0.275 1.00 73.00 C ATOM 1990 CG LEU A 125 -9.014 -0.154 -0.017 1.00 23.34 C ATOM 1991 CD1 LEU A 125 -8.565 0.962 -0.938 1.00 20.14 C ATOM 1992 CD2 LEU A 125 -8.750 0.237 1.432 1.00 0.23 C ATOM 0 H LEU A 125 -11.586 -0.054 2.020 1.00 55.41 H new ATOM 0 HA LEU A 125 -11.097 1.535 -0.294 1.00 54.52 H new ATOM 0 HB2 LEU A 125 -10.760 -1.379 0.325 1.00 73.00 H new ATOM 0 HB3 LEU A 125 -10.613 -0.794 -1.321 1.00 73.00 H new ATOM 0 HG LEU A 125 -8.438 -1.056 -0.225 1.00 23.34 H new ATOM 0 HD11 LEU A 125 -7.518 1.194 -0.745 1.00 20.14 H new ATOM 0 HD12 LEU A 125 -8.681 0.647 -1.975 1.00 20.14 H new ATOM 0 HD13 LEU A 125 -9.173 1.849 -0.758 1.00 20.14 H new ATOM 0 HD21 LEU A 125 -7.693 0.471 1.559 1.00 0.23 H new ATOM 0 HD22 LEU A 125 -9.349 1.111 1.688 1.00 0.23 H new ATOM 0 HD23 LEU A 125 -9.019 -0.591 2.087 1.00 0.23 H new ATOM 2004 N MET A 126 -13.981 0.406 -0.196 1.00 44.42 N ATOM 2005 CA MET A 126 -15.245 0.506 -0.941 1.00 24.10 C ATOM 2006 C MET A 126 -15.548 1.962 -1.139 1.00 23.44 C ATOM 2007 O MET A 126 -16.175 2.365 -2.118 1.00 14.13 O ATOM 2008 CB MET A 126 -16.425 -0.153 -0.215 1.00 54.42 C ATOM 2009 CG MET A 126 -16.373 -1.668 -0.011 1.00 21.12 C ATOM 2010 SD MET A 126 -16.608 -2.708 -1.502 1.00 73.43 S ATOM 2011 CE MET A 126 -15.178 -2.361 -2.528 1.00 11.55 C ATOM 0 H MET A 126 -14.083 0.288 0.812 1.00 44.42 H new ATOM 0 HA MET A 126 -15.121 -0.022 -1.887 1.00 24.10 H new ATOM 0 HB2 MET A 126 -16.521 0.315 0.765 1.00 54.42 H new ATOM 0 HB3 MET A 126 -17.334 0.080 -0.770 1.00 54.42 H new ATOM 0 HG2 MET A 126 -15.408 -1.919 0.430 1.00 21.12 H new ATOM 0 HG3 MET A 126 -17.137 -1.940 0.717 1.00 21.12 H new ATOM 0 HE1 MET A 126 -14.892 -3.262 -3.071 1.00 11.55 H new ATOM 0 HE2 MET A 126 -15.423 -1.572 -3.239 1.00 11.55 H new ATOM 0 HE3 MET A 126 -14.348 -2.038 -1.899 1.00 11.55 H new ATOM 2021 N TYR A 127 -15.089 2.748 -0.195 1.00 5.15 N ATOM 2022 CA TYR A 127 -15.257 4.169 -0.217 1.00 50.14 C ATOM 2023 C TYR A 127 -14.284 4.776 -1.227 1.00 4.02 C ATOM 2024 O TYR A 127 -14.657 5.625 -2.042 1.00 13.24 O ATOM 2025 CB TYR A 127 -15.000 4.743 1.186 1.00 12.24 C ATOM 2026 CG TYR A 127 -15.109 6.257 1.238 1.00 3.44 C ATOM 2027 CD1 TYR A 127 -16.342 6.897 1.316 1.00 51.03 C ATOM 2028 CD2 TYR A 127 -13.968 7.043 1.172 1.00 31.34 C ATOM 2029 CE1 TYR A 127 -16.423 8.280 1.332 1.00 14.23 C ATOM 2030 CE2 TYR A 127 -14.041 8.410 1.182 1.00 73.24 C ATOM 2031 CZ TYR A 127 -15.262 9.030 1.263 1.00 21.10 C ATOM 2032 OH TYR A 127 -15.324 10.409 1.267 1.00 15.45 O ATOM 0 H TYR A 127 -14.581 2.406 0.621 1.00 5.15 H new ATOM 0 HA TYR A 127 -16.277 4.415 -0.513 1.00 50.14 H new ATOM 0 HB2 TYR A 127 -15.714 4.309 1.886 1.00 12.24 H new ATOM 0 HB3 TYR A 127 -14.006 4.444 1.518 1.00 12.24 H new ATOM 0 HD1 TYR A 127 -17.246 6.309 1.365 1.00 51.03 H new ATOM 0 HD2 TYR A 127 -13.001 6.566 1.111 1.00 31.34 H new ATOM 0 HE1 TYR A 127 -17.384 8.769 1.398 1.00 14.23 H new ATOM 0 HE2 TYR A 127 -13.138 9.000 1.126 1.00 73.24 H new ATOM 0 HH TYR A 127 -14.417 10.777 1.214 1.00 15.45 H new ATOM 2042 N GLU A 128 -13.045 4.338 -1.151 1.00 72.31 N ATOM 2043 CA GLU A 128 -12.012 4.792 -2.042 1.00 50.43 C ATOM 2044 C GLU A 128 -12.163 4.280 -3.437 1.00 43.04 C ATOM 2045 O GLU A 128 -12.606 3.154 -3.665 1.00 21.00 O ATOM 2046 CB GLU A 128 -10.621 4.519 -1.488 1.00 3.24 C ATOM 2047 CG GLU A 128 -10.012 5.733 -0.823 1.00 23.53 C ATOM 2048 CD GLU A 128 -9.624 6.796 -1.847 1.00 30.35 C ATOM 2049 OE1 GLU A 128 -10.443 7.144 -2.711 1.00 52.24 O ATOM 2050 OE2 GLU A 128 -8.484 7.295 -1.776 1.00 34.31 O ATOM 0 H GLU A 128 -12.730 3.653 -0.464 1.00 72.31 H new ATOM 0 HA GLU A 128 -12.134 5.873 -2.106 1.00 50.43 H new ATOM 0 HB2 GLU A 128 -10.675 3.703 -0.767 1.00 3.24 H new ATOM 0 HB3 GLU A 128 -9.970 4.188 -2.297 1.00 3.24 H new ATOM 0 HG2 GLU A 128 -10.722 6.154 -0.111 1.00 23.53 H new ATOM 0 HG3 GLU A 128 -9.131 5.434 -0.255 1.00 23.53 H new