USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 713 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 57 THR OG1 : rot -160:sc= 0.424 USER MOD Set 1.2: A 128 HIS : no HD1:sc= -3.62 K(o=-3.2,f=-6.7!) USER MOD Set 2.1: A 73 THR OG1 : rot -85:sc= 1.24 USER MOD Set 2.2: A 75 THR OG1 : rot 76:sc= 1.28 USER MOD Set 2.3: A 76 HIS : no HD1:sc= -1.17 X(o=1.4,f=1.4) USER MOD Set 3.1: A 44 MET CE :methyl -117:sc= -0.143 (180deg=-0.902) USER MOD Set 3.2: A 47 GLN : amide:sc= 0 K(o=-0.14,f=-0.71) USER MOD Single : A 45 MET CE :methyl -117:sc= -7.16! (180deg=-12.2!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.18) USER MOD Single : A 52 THR OG1 : rot 162:sc= 0.842 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0825 USER MOD Single : A 58 LYS NZ :NH3+ -170:sc=-0.00201 (180deg=-0.117) USER MOD Single : A 60 GLN : amide:sc= -2.65! C(o=-2.7!,f=-7.6!) USER MOD Single : A 61 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.1) USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= 1.2 (180deg=0.628) USER MOD Single : A 71 GLN :FLIP amide:sc= -6.24! C(o=-7.8!,f=-6.2!) USER MOD Single : A 82 MET CE :methyl -157:sc= -0.207 (180deg=-0.87) USER MOD Single : A 86 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.23) USER MOD Single : A 97 LYS NZ :NH3+ 139:sc= -1.29 (180deg=-3.15!) USER MOD Single : A 99 CYS SG : rot 23:sc= -2.74! USER MOD Single : A 100 MET CE :methyl -117:sc= -1.25 (180deg=-2.39!) USER MOD Single : A 101 SER OG : rot -80:sc= 1.25 USER MOD Single : A 106 CYS SG : rot -19:sc= -1.67! USER MOD Single : A 110 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1.19) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 133 GLN :FLIP amide:sc= -2.71! C(o=-4.5!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -12.961 -2.254 2.946 1.00 0.41 N ATOM 224 CA MET A 44 -12.130 -1.906 4.078 1.00 0.41 C ATOM 225 C MET A 44 -11.051 -0.911 3.659 1.00 0.31 C ATOM 226 O MET A 44 -10.991 0.182 4.191 1.00 0.28 O ATOM 227 CB MET A 44 -11.503 -3.159 4.688 1.00 0.50 C ATOM 228 CG MET A 44 -12.457 -3.994 5.538 1.00 0.82 C ATOM 229 SD MET A 44 -13.901 -4.599 4.626 1.00 1.59 S ATOM 230 CE MET A 44 -15.118 -3.332 4.989 1.00 1.62 C ATOM 0 HA MET A 44 -12.756 -1.435 4.836 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.112 -3.783 3.884 1.00 0.50 H new ATOM 0 HB3 MET A 44 -10.653 -2.862 5.303 1.00 0.50 H new ATOM 0 HG2 MET A 44 -11.914 -4.845 5.948 1.00 0.82 H new ATOM 0 HG3 MET A 44 -12.796 -3.395 6.383 1.00 0.82 H new ATOM 0 HE1 MET A 44 -15.948 -3.772 5.541 1.00 1.62 H new ATOM 0 HE2 MET A 44 -14.658 -2.547 5.590 1.00 1.62 H new ATOM 0 HE3 MET A 44 -15.488 -2.905 4.057 1.00 1.62 H new ATOM 240 N MET A 45 -10.223 -1.278 2.680 1.00 0.28 N ATOM 241 CA MET A 45 -9.174 -0.377 2.196 1.00 0.22 C ATOM 242 C MET A 45 -9.781 0.845 1.517 1.00 0.20 C ATOM 243 O MET A 45 -9.221 1.934 1.577 1.00 0.20 O ATOM 244 CB MET A 45 -8.233 -1.076 1.212 1.00 0.24 C ATOM 245 CG MET A 45 -8.823 -1.241 -0.174 1.00 0.32 C ATOM 246 SD MET A 45 -7.824 -0.485 -1.463 1.00 0.98 S ATOM 247 CE MET A 45 -6.355 -1.494 -1.378 1.00 0.22 C ATOM 0 H MET A 45 -10.256 -2.183 2.210 1.00 0.28 H new ATOM 0 HA MET A 45 -8.599 -0.066 3.068 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.307 -0.505 1.139 1.00 0.24 H new ATOM 0 HB3 MET A 45 -7.972 -2.058 1.606 1.00 0.24 H new ATOM 0 HG2 MET A 45 -8.938 -2.303 -0.389 1.00 0.32 H new ATOM 0 HG3 MET A 45 -9.821 -0.802 -0.192 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.505 -0.876 -1.090 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.497 -2.282 -0.639 1.00 0.22 H new ATOM 0 HE3 MET A 45 -6.164 -1.941 -2.353 1.00 0.22 H new ATOM 257 N SER A 46 -10.905 0.647 0.851 1.00 0.24 N ATOM 258 CA SER A 46 -11.608 1.733 0.199 1.00 0.30 C ATOM 259 C SER A 46 -11.814 2.894 1.169 1.00 0.27 C ATOM 260 O SER A 46 -11.372 4.016 0.911 1.00 0.30 O ATOM 261 CB SER A 46 -12.937 1.210 -0.344 1.00 0.39 C ATOM 262 OG SER A 46 -13.743 2.245 -0.876 1.00 0.53 O ATOM 0 H SER A 46 -11.352 -0.264 0.748 1.00 0.24 H new ATOM 0 HA SER A 46 -11.015 2.111 -0.634 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.744 0.468 -1.119 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.479 0.704 0.454 1.00 0.39 H new ATOM 0 HG SER A 46 -14.582 1.866 -1.213 1.00 0.53 H new ATOM 268 N GLN A 47 -12.474 2.625 2.282 1.00 0.25 N ATOM 269 CA GLN A 47 -12.659 3.640 3.305 1.00 0.27 C ATOM 270 C GLN A 47 -11.391 3.858 4.145 1.00 0.24 C ATOM 271 O GLN A 47 -10.985 4.997 4.370 1.00 0.29 O ATOM 272 CB GLN A 47 -13.862 3.313 4.197 1.00 0.30 C ATOM 273 CG GLN A 47 -13.826 1.925 4.814 1.00 0.33 C ATOM 274 CD GLN A 47 -15.039 1.637 5.675 1.00 0.43 C ATOM 275 OE1 GLN A 47 -15.618 2.538 6.282 1.00 1.10 O ATOM 276 NE2 GLN A 47 -15.438 0.380 5.727 1.00 1.11 N ATOM 0 H GLN A 47 -12.888 1.719 2.500 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.863 4.578 2.788 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.918 4.052 4.997 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.774 3.412 3.608 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.764 1.180 4.020 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.924 1.823 5.418 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -14.931 -0.338 5.209 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -16.253 0.126 6.285 1.00 1.11 H new ATOM 285 N ALA A 48 -10.772 2.771 4.611 1.00 0.21 N ATOM 286 CA ALA A 48 -9.641 2.870 5.533 1.00 0.22 C ATOM 287 C ALA A 48 -8.372 3.348 4.851 1.00 0.20 C ATOM 288 O ALA A 48 -7.797 4.347 5.263 1.00 0.22 O ATOM 289 CB ALA A 48 -9.370 1.539 6.221 1.00 0.24 C ATOM 0 H ALA A 48 -11.034 1.816 4.366 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.926 3.613 6.277 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.524 1.646 6.900 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.252 1.235 6.785 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.140 0.782 5.471 1.00 0.24 H new ATOM 295 N LEU A 49 -7.952 2.674 3.784 1.00 0.18 N ATOM 296 CA LEU A 49 -6.650 2.938 3.186 1.00 0.18 C ATOM 297 C LEU A 49 -6.607 4.293 2.530 1.00 0.19 C ATOM 298 O LEU A 49 -5.757 5.117 2.847 1.00 0.21 O ATOM 299 CB LEU A 49 -6.309 1.898 2.122 1.00 0.23 C ATOM 300 CG LEU A 49 -5.376 0.783 2.556 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.906 0.036 1.330 1.00 0.47 C ATOM 302 CD2 LEU A 49 -4.196 1.322 3.360 1.00 0.58 C ATOM 0 H LEU A 49 -8.492 1.945 3.319 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.926 2.896 4.000 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.238 1.451 1.769 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.859 2.411 1.272 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.916 0.100 3.212 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -4.234 -0.768 1.629 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.766 -0.384 0.808 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.378 0.721 0.666 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.549 0.496 3.654 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.631 2.026 2.749 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.565 1.829 4.251 1.00 0.58 H new ATOM 314 N LYS A 50 -7.524 4.509 1.607 1.00 0.19 N ATOM 315 CA LYS A 50 -7.511 5.708 0.793 1.00 0.21 C ATOM 316 C LYS A 50 -7.568 6.961 1.670 1.00 0.23 C ATOM 317 O LYS A 50 -7.035 8.011 1.313 1.00 0.27 O ATOM 318 CB LYS A 50 -8.669 5.666 -0.204 1.00 0.22 C ATOM 319 CG LYS A 50 -8.729 4.358 -0.982 1.00 0.20 C ATOM 320 CD LYS A 50 -7.415 4.080 -1.708 1.00 0.21 C ATOM 321 CE LYS A 50 -7.146 5.091 -2.813 1.00 0.24 C ATOM 322 NZ LYS A 50 -7.948 4.804 -4.026 1.00 0.55 N ATOM 0 H LYS A 50 -8.290 3.867 1.402 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.577 5.750 0.232 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.608 5.809 0.330 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.571 6.496 -0.904 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.950 3.537 -0.300 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.544 4.400 -1.705 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.594 4.100 -0.991 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.442 3.077 -2.134 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.377 6.094 -2.453 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.086 5.080 -3.067 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.803 5.560 -4.725 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.650 3.894 -4.432 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.956 4.756 -3.773 1.00 0.55 H new ATOM 336 N ALA A 51 -8.221 6.832 2.821 1.00 0.22 N ATOM 337 CA ALA A 51 -8.249 7.899 3.815 1.00 0.23 C ATOM 338 C ALA A 51 -6.951 7.946 4.631 1.00 0.23 C ATOM 339 O ALA A 51 -6.399 9.020 4.880 1.00 0.26 O ATOM 340 CB ALA A 51 -9.446 7.737 4.740 1.00 0.25 C ATOM 0 H ALA A 51 -8.740 5.996 3.089 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.341 8.843 3.279 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.450 8.542 5.475 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.365 7.775 4.155 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.382 6.778 5.254 1.00 0.25 H new ATOM 346 N THR A 52 -6.459 6.772 5.028 1.00 0.21 N ATOM 347 CA THR A 52 -5.358 6.677 5.981 1.00 0.22 C ATOM 348 C THR A 52 -4.013 6.981 5.338 1.00 0.21 C ATOM 349 O THR A 52 -3.042 7.242 6.040 1.00 0.23 O ATOM 350 CB THR A 52 -5.292 5.270 6.628 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.480 5.304 7.812 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.719 4.242 5.652 1.00 0.18 C ATOM 0 H THR A 52 -6.809 5.871 4.701 1.00 0.21 H new ATOM 0 HA THR A 52 -5.558 7.426 6.748 1.00 0.22 H new ATOM 0 HB THR A 52 -6.309 4.977 6.890 1.00 0.22 H new ATOM 0 HG1 THR A 52 -4.670 4.515 8.361 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.684 3.264 6.132 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.352 4.189 4.766 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.712 4.539 5.361 1.00 0.18 H new ATOM 360 N PHE A 53 -3.966 6.963 4.010 1.00 0.23 N ATOM 361 CA PHE A 53 -2.708 7.076 3.277 1.00 0.27 C ATOM 362 C PHE A 53 -1.872 8.272 3.709 1.00 0.32 C ATOM 363 O PHE A 53 -0.642 8.232 3.636 1.00 0.34 O ATOM 364 CB PHE A 53 -2.959 7.154 1.777 1.00 0.31 C ATOM 365 CG PHE A 53 -3.342 5.844 1.168 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.796 4.665 1.637 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.242 5.790 0.127 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.140 3.456 1.071 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.588 4.583 -0.442 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.036 3.416 0.029 1.00 0.38 C ATOM 0 H PHE A 53 -4.790 6.871 3.415 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.142 6.175 3.513 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.750 7.879 1.586 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -2.060 7.525 1.285 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.092 4.691 2.456 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.681 6.703 -0.247 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.706 2.541 1.446 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.294 4.555 -1.259 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.305 2.470 -0.418 1.00 0.38 H new ATOM 380 N SER A 54 -2.539 9.318 4.160 1.00 0.36 N ATOM 381 CA SER A 54 -1.867 10.523 4.607 1.00 0.44 C ATOM 382 C SER A 54 -0.978 10.246 5.819 1.00 0.39 C ATOM 383 O SER A 54 -0.016 10.967 6.059 1.00 0.46 O ATOM 384 CB SER A 54 -2.911 11.589 4.931 1.00 0.55 C ATOM 385 OG SER A 54 -4.079 10.998 5.488 1.00 1.37 O ATOM 0 H SER A 54 -3.556 9.356 4.227 1.00 0.36 H new ATOM 0 HA SER A 54 -1.219 10.883 3.808 1.00 0.44 H new ATOM 0 HB2 SER A 54 -2.494 12.312 5.632 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.171 12.137 4.025 1.00 0.55 H new ATOM 0 HG SER A 54 -4.735 11.697 5.690 1.00 1.37 H new ATOM 391 N GLY A 55 -1.298 9.183 6.553 1.00 0.31 N ATOM 392 CA GLY A 55 -0.550 8.814 7.742 1.00 0.28 C ATOM 393 C GLY A 55 0.937 8.622 7.494 1.00 0.22 C ATOM 394 O GLY A 55 1.759 9.381 8.011 1.00 0.25 O ATOM 0 H GLY A 55 -2.077 8.561 6.339 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.686 9.585 8.500 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.964 7.891 8.149 1.00 0.28 H new ATOM 398 N PHE A 56 1.292 7.617 6.695 1.00 0.15 N ATOM 399 CA PHE A 56 2.703 7.308 6.461 1.00 0.12 C ATOM 400 C PHE A 56 3.355 8.382 5.624 1.00 0.13 C ATOM 401 O PHE A 56 4.451 8.812 5.917 1.00 0.17 O ATOM 402 CB PHE A 56 2.895 5.964 5.766 1.00 0.13 C ATOM 403 CG PHE A 56 4.343 5.637 5.529 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.108 5.049 6.521 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.944 5.941 4.320 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.446 4.770 6.311 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.277 5.666 4.105 1.00 0.26 C ATOM 408 CZ PHE A 56 7.032 5.081 5.100 1.00 0.28 C ATOM 0 H PHE A 56 0.634 7.011 6.205 1.00 0.15 H new ATOM 0 HA PHE A 56 3.173 7.260 7.443 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.443 5.178 6.372 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.368 5.974 4.812 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.655 4.805 7.470 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.361 6.400 3.535 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.032 4.310 7.093 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.731 5.909 3.156 1.00 0.26 H new ATOM 0 HZ PHE A 56 8.077 4.867 4.933 1.00 0.28 H new ATOM 418 N THR A 57 2.652 8.824 4.601 1.00 0.16 N ATOM 419 CA THR A 57 3.189 9.796 3.646 1.00 0.24 C ATOM 420 C THR A 57 3.528 11.120 4.343 1.00 0.26 C ATOM 421 O THR A 57 4.366 11.895 3.879 1.00 0.35 O ATOM 422 CB THR A 57 2.174 10.034 2.523 1.00 0.32 C ATOM 423 OG1 THR A 57 1.846 8.775 1.905 1.00 0.39 O ATOM 424 CG2 THR A 57 2.712 10.990 1.468 1.00 0.46 C ATOM 0 H THR A 57 1.697 8.527 4.401 1.00 0.16 H new ATOM 0 HA THR A 57 4.108 9.393 3.221 1.00 0.24 H new ATOM 0 HB THR A 57 1.285 10.487 2.962 1.00 0.32 H new ATOM 0 HG1 THR A 57 1.467 8.936 1.016 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.962 11.132 0.690 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.942 11.950 1.930 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.618 10.573 1.027 1.00 0.46 H new ATOM 432 N LYS A 58 2.904 11.331 5.490 1.00 0.24 N ATOM 433 CA LYS A 58 3.147 12.520 6.290 1.00 0.31 C ATOM 434 C LYS A 58 4.463 12.372 7.045 1.00 0.29 C ATOM 435 O LYS A 58 5.295 13.279 7.059 1.00 0.31 O ATOM 436 CB LYS A 58 1.999 12.740 7.272 1.00 0.39 C ATOM 437 CG LYS A 58 2.178 13.943 8.175 1.00 0.50 C ATOM 438 CD LYS A 58 0.988 14.107 9.097 1.00 1.34 C ATOM 439 CE LYS A 58 1.155 15.302 10.012 1.00 1.93 C ATOM 440 NZ LYS A 58 2.283 15.127 10.965 1.00 2.52 N ATOM 0 H LYS A 58 2.220 10.689 5.890 1.00 0.24 H new ATOM 0 HA LYS A 58 3.210 13.385 5.630 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.072 12.856 6.710 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.888 11.849 7.890 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.087 13.828 8.765 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.302 14.842 7.571 1.00 0.50 H new ATOM 0 HD2 LYS A 58 0.081 14.225 8.504 1.00 1.34 H new ATOM 0 HD3 LYS A 58 0.863 13.204 9.695 1.00 1.34 H new ATOM 0 HE2 LYS A 58 1.324 16.196 9.412 1.00 1.93 H new ATOM 0 HE3 LYS A 58 0.232 15.462 10.570 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 2.256 15.884 11.677 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 2.199 14.204 11.437 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 3.184 15.170 10.448 1.00 2.52 H new ATOM 454 N GLU A 59 4.660 11.206 7.650 1.00 0.26 N ATOM 455 CA GLU A 59 5.862 10.953 8.425 1.00 0.25 C ATOM 456 C GLU A 59 6.993 10.501 7.504 1.00 0.21 C ATOM 457 O GLU A 59 8.165 10.569 7.855 1.00 0.24 O ATOM 458 CB GLU A 59 5.590 9.939 9.543 1.00 0.31 C ATOM 459 CG GLU A 59 6.492 8.726 9.523 1.00 0.43 C ATOM 460 CD GLU A 59 6.695 8.153 10.907 1.00 0.76 C ATOM 461 OE1 GLU A 59 7.199 8.891 11.778 1.00 0.98 O ATOM 462 OE2 GLU A 59 6.364 6.972 11.134 1.00 0.97 O ATOM 0 H GLU A 59 4.004 10.426 7.617 1.00 0.26 H new ATOM 0 HA GLU A 59 6.175 11.879 8.907 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.698 10.440 10.505 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.554 9.607 9.471 1.00 0.31 H new ATOM 0 HG2 GLU A 59 6.061 7.964 8.874 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.458 8.998 9.097 1.00 0.43 H new ATOM 469 N GLN A 60 6.614 10.041 6.324 1.00 0.19 N ATOM 470 CA GLN A 60 7.546 9.696 5.260 1.00 0.19 C ATOM 471 C GLN A 60 8.474 10.872 5.024 1.00 0.22 C ATOM 472 O GLN A 60 9.693 10.740 5.057 1.00 0.23 O ATOM 473 CB GLN A 60 6.751 9.390 3.991 1.00 0.21 C ATOM 474 CG GLN A 60 7.512 8.654 2.911 1.00 0.28 C ATOM 475 CD GLN A 60 6.598 8.284 1.761 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.399 8.064 1.951 1.00 0.90 O ATOM 477 NE2 GLN A 60 7.146 8.218 0.567 1.00 0.26 N ATOM 0 H GLN A 60 5.636 9.894 6.073 1.00 0.19 H new ATOM 0 HA GLN A 60 8.136 8.822 5.535 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.877 8.798 4.264 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.384 10.329 3.577 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.328 9.278 2.546 1.00 0.28 H new ATOM 0 HG3 GLN A 60 7.962 7.753 3.328 1.00 0.28 H new ATOM 0 HE21 GLN A 60 8.142 8.407 0.452 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.575 7.978 -0.244 1.00 0.26 H new ATOM 486 N GLN A 61 7.860 12.030 4.850 1.00 0.28 N ATOM 487 CA GLN A 61 8.585 13.284 4.671 1.00 0.34 C ATOM 488 C GLN A 61 9.445 13.583 5.899 1.00 0.34 C ATOM 489 O GLN A 61 10.582 14.050 5.792 1.00 0.37 O ATOM 490 CB GLN A 61 7.587 14.415 4.456 1.00 0.45 C ATOM 491 CG GLN A 61 6.718 14.235 3.220 1.00 0.58 C ATOM 492 CD GLN A 61 7.533 14.118 1.948 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.839 15.118 1.300 1.00 1.23 O ATOM 494 NE2 GLN A 61 7.893 12.898 1.583 1.00 1.12 N ATOM 0 H GLN A 61 6.845 12.131 4.828 1.00 0.28 H new ATOM 0 HA GLN A 61 9.237 13.197 3.802 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.945 14.493 5.333 1.00 0.45 H new ATOM 0 HB3 GLN A 61 8.130 15.357 4.374 1.00 0.45 H new ATOM 0 HG2 GLN A 61 6.105 13.341 3.338 1.00 0.58 H new ATOM 0 HG3 GLN A 61 6.036 15.081 3.134 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.619 12.095 2.149 1.00 1.12 H new ATOM 0 HE22 GLN A 61 8.445 12.761 0.736 1.00 1.12 H new ATOM 503 N ARG A 62 8.889 13.280 7.061 1.00 0.34 N ATOM 504 CA ARG A 62 9.547 13.514 8.339 1.00 0.39 C ATOM 505 C ARG A 62 10.797 12.640 8.448 1.00 0.36 C ATOM 506 O ARG A 62 11.859 13.092 8.873 1.00 0.41 O ATOM 507 CB ARG A 62 8.545 13.201 9.460 1.00 0.44 C ATOM 508 CG ARG A 62 8.933 13.696 10.844 1.00 0.58 C ATOM 509 CD ARG A 62 9.982 12.815 11.508 1.00 1.13 C ATOM 510 NE ARG A 62 9.466 11.476 11.810 1.00 1.93 N ATOM 511 CZ ARG A 62 10.007 10.654 12.707 1.00 2.74 C ATOM 512 NH1 ARG A 62 11.093 11.019 13.375 1.00 2.99 N ATOM 513 NH2 ARG A 62 9.458 9.470 12.933 1.00 3.73 N ATOM 0 H ARG A 62 7.962 12.862 7.146 1.00 0.34 H new ATOM 0 HA ARG A 62 9.865 14.553 8.424 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.582 13.637 9.194 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.404 12.121 9.506 1.00 0.44 H new ATOM 0 HG2 ARG A 62 9.314 14.714 10.768 1.00 0.58 H new ATOM 0 HG3 ARG A 62 8.045 13.735 11.474 1.00 0.58 H new ATOM 0 HD2 ARG A 62 10.850 12.730 10.854 1.00 1.13 H new ATOM 0 HD3 ARG A 62 10.322 13.288 12.429 1.00 1.13 H new ATOM 0 HE ARG A 62 8.642 11.155 11.302 1.00 1.93 H new ATOM 0 HH11 ARG A 62 11.516 11.931 13.202 1.00 2.99 H new ATOM 0 HH12 ARG A 62 11.506 10.388 14.062 1.00 2.99 H new ATOM 0 HH21 ARG A 62 8.622 9.189 12.420 1.00 3.73 H new ATOM 0 HH22 ARG A 62 9.871 8.839 13.620 1.00 3.73 H new ATOM 527 N LEU A 63 10.651 11.388 8.043 1.00 0.30 N ATOM 528 CA LEU A 63 11.744 10.421 8.034 1.00 0.32 C ATOM 529 C LEU A 63 12.718 10.673 6.902 1.00 0.31 C ATOM 530 O LEU A 63 13.683 9.927 6.728 1.00 0.37 O ATOM 531 CB LEU A 63 11.174 9.008 7.939 1.00 0.33 C ATOM 532 CG LEU A 63 10.383 8.550 9.165 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.543 7.328 8.834 1.00 1.01 C ATOM 534 CD2 LEU A 63 11.327 8.249 10.319 1.00 0.65 C ATOM 0 H LEU A 63 9.765 11.009 7.708 1.00 0.30 H new ATOM 0 HA LEU A 63 12.299 10.533 8.965 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.526 8.951 7.064 1.00 0.33 H new ATOM 0 HB3 LEU A 63 11.995 8.311 7.773 1.00 0.33 H new ATOM 0 HG LEU A 63 9.712 9.356 9.464 1.00 0.40 H new ATOM 0 HD11 LEU A 63 8.988 7.018 9.719 1.00 1.01 H new ATOM 0 HD12 LEU A 63 8.844 7.573 8.034 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.194 6.516 8.511 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.751 7.924 11.185 1.00 0.65 H new ATOM 0 HD22 LEU A 63 12.019 7.459 10.027 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.889 9.148 10.573 1.00 0.65 H new ATOM 546 N GLY A 64 12.481 11.733 6.150 1.00 0.28 N ATOM 547 CA GLY A 64 13.328 12.033 5.021 1.00 0.30 C ATOM 548 C GLY A 64 13.184 10.984 3.953 1.00 0.27 C ATOM 549 O GLY A 64 14.074 10.789 3.126 1.00 0.33 O ATOM 0 H GLY A 64 11.717 12.391 6.302 1.00 0.28 H new ATOM 0 HA2 GLY A 64 13.068 13.010 4.615 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.367 12.089 5.345 1.00 0.30 H new ATOM 553 N ILE A 65 12.057 10.290 3.990 1.00 0.22 N ATOM 554 CA ILE A 65 11.783 9.259 3.029 1.00 0.20 C ATOM 555 C ILE A 65 11.125 9.882 1.804 1.00 0.21 C ATOM 556 O ILE A 65 10.054 10.479 1.910 1.00 0.23 O ATOM 557 CB ILE A 65 10.863 8.147 3.586 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.488 7.494 4.820 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.593 7.093 2.516 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.695 6.317 5.351 1.00 0.20 C ATOM 0 H ILE A 65 11.321 10.431 4.682 1.00 0.22 H new ATOM 0 HA ILE A 65 12.735 8.794 2.772 1.00 0.20 H new ATOM 0 HB ILE A 65 9.917 8.603 3.877 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.496 7.160 4.573 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.584 8.242 5.607 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.944 6.318 2.924 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.106 7.560 1.660 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.536 6.647 2.199 1.00 0.19 H new ATOM 0 HD11 ILE A 65 11.198 5.904 6.226 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.695 6.648 5.630 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.621 5.550 4.580 1.00 0.20 H new ATOM 572 N PRO A 66 11.776 9.778 0.640 1.00 0.24 N ATOM 573 CA PRO A 66 11.236 10.279 -0.626 1.00 0.27 C ATOM 574 C PRO A 66 9.792 9.836 -0.855 1.00 0.22 C ATOM 575 O PRO A 66 9.448 8.683 -0.627 1.00 0.23 O ATOM 576 CB PRO A 66 12.147 9.651 -1.684 1.00 0.35 C ATOM 577 CG PRO A 66 13.072 8.727 -0.957 1.00 0.26 C ATOM 578 CD PRO A 66 13.104 9.186 0.465 1.00 0.31 C ATOM 0 HA PRO A 66 11.217 11.369 -0.650 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.562 9.108 -2.426 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.707 10.419 -2.218 1.00 0.35 H new ATOM 0 HG2 PRO A 66 12.722 7.697 -1.024 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.070 8.754 -1.395 1.00 0.26 H new ATOM 0 HD2 PRO A 66 13.273 8.359 1.154 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.898 9.913 0.639 1.00 0.31 H new ATOM 586 N LYS A 67 8.965 10.790 -1.286 1.00 0.25 N ATOM 587 CA LYS A 67 7.526 10.582 -1.500 1.00 0.27 C ATOM 588 C LYS A 67 7.217 9.444 -2.480 1.00 0.25 C ATOM 589 O LYS A 67 6.307 8.654 -2.240 1.00 0.36 O ATOM 590 CB LYS A 67 6.876 11.878 -1.996 1.00 0.43 C ATOM 591 CG LYS A 67 7.754 12.667 -2.956 1.00 1.04 C ATOM 592 CD LYS A 67 6.972 13.216 -4.133 1.00 1.15 C ATOM 593 CE LYS A 67 6.467 12.097 -5.024 1.00 1.67 C ATOM 594 NZ LYS A 67 6.405 12.507 -6.446 1.00 2.42 N ATOM 0 H LYS A 67 9.275 11.738 -1.499 1.00 0.25 H new ATOM 0 HA LYS A 67 7.109 10.293 -0.535 1.00 0.27 H new ATOM 0 HB2 LYS A 67 5.935 11.637 -2.491 1.00 0.43 H new ATOM 0 HB3 LYS A 67 6.634 12.505 -1.138 1.00 0.43 H new ATOM 0 HG2 LYS A 67 8.225 13.491 -2.420 1.00 1.04 H new ATOM 0 HG3 LYS A 67 8.555 12.025 -3.323 1.00 1.04 H new ATOM 0 HD2 LYS A 67 6.129 13.805 -3.771 1.00 1.15 H new ATOM 0 HD3 LYS A 67 7.605 13.888 -4.712 1.00 1.15 H new ATOM 0 HE2 LYS A 67 7.121 11.231 -4.924 1.00 1.67 H new ATOM 0 HE3 LYS A 67 5.476 11.788 -4.692 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 6.339 11.662 -7.048 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 5.569 13.107 -6.598 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 7.263 13.041 -6.691 1.00 2.42 H new ATOM 608 N ASP A 68 7.949 9.380 -3.586 1.00 0.28 N ATOM 609 CA ASP A 68 7.748 8.318 -4.576 1.00 0.28 C ATOM 610 C ASP A 68 8.401 7.042 -4.071 1.00 0.21 C ATOM 611 O ASP A 68 9.161 7.080 -3.115 1.00 0.23 O ATOM 612 CB ASP A 68 8.330 8.740 -5.938 1.00 0.39 C ATOM 613 CG ASP A 68 7.275 8.833 -7.032 1.00 1.12 C ATOM 614 OD1 ASP A 68 6.650 9.906 -7.186 1.00 1.65 O ATOM 615 OD2 ASP A 68 7.068 7.834 -7.747 1.00 1.88 O ATOM 0 H ASP A 68 8.685 10.045 -3.823 1.00 0.28 H new ATOM 0 HA ASP A 68 6.682 8.139 -4.715 1.00 0.28 H new ATOM 0 HB2 ASP A 68 8.823 9.707 -5.833 1.00 0.39 H new ATOM 0 HB3 ASP A 68 9.095 8.023 -6.238 1.00 0.39 H new ATOM 620 N PRO A 69 8.070 5.881 -4.653 1.00 0.19 N ATOM 621 CA PRO A 69 8.631 4.607 -4.228 1.00 0.20 C ATOM 622 C PRO A 69 9.862 4.168 -5.011 1.00 0.26 C ATOM 623 O PRO A 69 10.751 3.561 -4.441 1.00 0.65 O ATOM 624 CB PRO A 69 7.477 3.655 -4.486 1.00 0.40 C ATOM 625 CG PRO A 69 6.741 4.228 -5.658 1.00 0.37 C ATOM 626 CD PRO A 69 7.064 5.697 -5.715 1.00 0.22 C ATOM 0 HA PRO A 69 8.987 4.649 -3.199 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.838 2.650 -4.703 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.828 3.579 -3.614 1.00 0.40 H new ATOM 0 HG2 PRO A 69 7.042 3.732 -6.581 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.667 4.075 -5.550 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.457 5.982 -6.691 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.179 6.308 -5.537 1.00 0.22 H new ATOM 634 N ARG A 70 9.935 4.522 -6.292 1.00 0.20 N ATOM 635 CA ARG A 70 10.942 3.961 -7.214 1.00 0.26 C ATOM 636 C ARG A 70 12.384 4.370 -6.884 1.00 0.19 C ATOM 637 O ARG A 70 13.299 4.082 -7.649 1.00 0.27 O ATOM 638 CB ARG A 70 10.634 4.332 -8.671 1.00 0.46 C ATOM 639 CG ARG A 70 9.586 5.418 -8.844 1.00 0.96 C ATOM 640 CD ARG A 70 8.206 4.827 -9.105 1.00 0.87 C ATOM 641 NE ARG A 70 7.235 5.867 -9.439 1.00 1.06 N ATOM 642 CZ ARG A 70 6.480 5.855 -10.535 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.542 4.830 -11.379 1.00 1.89 N ATOM 644 NH2 ARG A 70 5.662 6.868 -10.791 1.00 1.79 N ATOM 0 H ARG A 70 9.307 5.199 -6.725 1.00 0.20 H new ATOM 0 HA ARG A 70 10.873 2.881 -7.081 1.00 0.26 H new ATOM 0 HB2 ARG A 70 11.557 4.657 -9.151 1.00 0.46 H new ATOM 0 HB3 ARG A 70 10.300 3.437 -9.196 1.00 0.46 H new ATOM 0 HG2 ARG A 70 9.553 6.039 -7.949 1.00 0.96 H new ATOM 0 HG3 ARG A 70 9.867 6.068 -9.673 1.00 0.96 H new ATOM 0 HD2 ARG A 70 8.265 4.107 -9.921 1.00 0.87 H new ATOM 0 HD3 ARG A 70 7.869 4.282 -8.223 1.00 0.87 H new ATOM 0 HE ARG A 70 7.130 6.649 -8.793 1.00 1.06 H new ATOM 0 HH11 ARG A 70 7.170 4.049 -11.188 1.00 1.89 H new ATOM 0 HH12 ARG A 70 5.962 4.824 -12.218 1.00 1.89 H new ATOM 0 HH21 ARG A 70 5.611 7.658 -10.147 1.00 1.79 H new ATOM 0 HH22 ARG A 70 5.084 6.857 -11.631 1.00 1.79 H new ATOM 658 N GLN A 71 12.589 5.024 -5.758 1.00 0.16 N ATOM 659 CA GLN A 71 13.929 5.428 -5.352 1.00 0.16 C ATOM 660 C GLN A 71 14.181 5.091 -3.882 1.00 0.15 C ATOM 661 O GLN A 71 15.102 5.615 -3.256 1.00 0.18 O ATOM 662 CB GLN A 71 14.133 6.930 -5.599 1.00 0.20 C ATOM 663 CG GLN A 71 13.494 7.814 -4.544 1.00 0.38 C ATOM 664 CD GLN A 71 11.997 7.631 -4.455 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.566 6.612 -3.718 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.236 8.365 -5.077 1.00 0.29 N flip ATOM 0 H GLN A 71 11.850 5.288 -5.107 1.00 0.16 H new ATOM 0 HA GLN A 71 14.648 4.873 -5.955 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.202 7.141 -5.638 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.721 7.188 -6.575 1.00 0.20 H new ATOM 0 HG2 GLN A 71 13.940 7.595 -3.574 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.715 8.857 -4.768 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.610 9.136 -5.630 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.229 8.204 -5.041 1.00 0.29 H new ATOM 675 N TRP A 72 13.353 4.217 -3.331 1.00 0.12 N ATOM 676 CA TRP A 72 13.455 3.839 -1.933 1.00 0.11 C ATOM 677 C TRP A 72 14.545 2.809 -1.702 1.00 0.12 C ATOM 678 O TRP A 72 15.061 2.205 -2.636 1.00 0.14 O ATOM 679 CB TRP A 72 12.120 3.236 -1.486 1.00 0.11 C ATOM 680 CG TRP A 72 11.103 4.237 -1.073 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.288 5.565 -0.856 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.730 3.970 -0.804 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.108 6.142 -0.484 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.131 5.184 -0.444 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.948 2.822 -0.841 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.781 5.277 -0.122 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.614 2.914 -0.523 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.040 4.135 -0.169 1.00 0.10 C ATOM 0 H TRP A 72 12.598 3.754 -3.837 1.00 0.12 H new ATOM 0 HA TRP A 72 13.701 4.734 -1.361 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.714 2.638 -2.302 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.303 2.557 -0.653 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.228 6.086 -0.962 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.975 7.130 -0.270 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.382 1.872 -1.115 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.336 6.221 0.155 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 7.000 2.026 -0.548 1.00 0.10 H new ATOM 0 HH2 TRP A 72 5.988 4.176 0.072 1.00 0.10 H new ATOM 699 N THR A 73 14.927 2.658 -0.448 1.00 0.14 N ATOM 700 CA THR A 73 15.788 1.572 -0.035 1.00 0.15 C ATOM 701 C THR A 73 14.933 0.418 0.474 1.00 0.15 C ATOM 702 O THR A 73 13.716 0.585 0.617 1.00 0.16 O ATOM 703 CB THR A 73 16.731 2.045 1.084 1.00 0.18 C ATOM 704 OG1 THR A 73 15.954 2.555 2.182 1.00 0.19 O ATOM 705 CG2 THR A 73 17.671 3.133 0.581 1.00 0.21 C ATOM 0 H THR A 73 14.649 3.283 0.309 1.00 0.14 H new ATOM 0 HA THR A 73 16.384 1.242 -0.886 1.00 0.15 H new ATOM 0 HB THR A 73 17.329 1.195 1.413 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.731 3.495 2.017 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.327 3.450 1.391 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.272 2.743 -0.241 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.088 3.985 0.232 1.00 0.21 H new ATOM 713 N GLU A 74 15.537 -0.730 0.762 1.00 0.17 N ATOM 714 CA GLU A 74 14.787 -1.849 1.329 1.00 0.20 C ATOM 715 C GLU A 74 14.117 -1.416 2.627 1.00 0.19 C ATOM 716 O GLU A 74 13.044 -1.902 2.985 1.00 0.28 O ATOM 717 CB GLU A 74 15.680 -3.064 1.605 1.00 0.29 C ATOM 718 CG GLU A 74 16.388 -3.618 0.379 1.00 1.25 C ATOM 719 CD GLU A 74 17.626 -2.829 0.015 1.00 1.79 C ATOM 720 OE1 GLU A 74 18.701 -3.118 0.574 1.00 1.99 O ATOM 721 OE2 GLU A 74 17.526 -1.911 -0.822 1.00 2.67 O ATOM 0 H GLU A 74 16.530 -0.911 0.615 1.00 0.17 H new ATOM 0 HA GLU A 74 14.038 -2.143 0.594 1.00 0.20 H new ATOM 0 HB2 GLU A 74 16.429 -2.787 2.347 1.00 0.29 H new ATOM 0 HB3 GLU A 74 15.071 -3.854 2.045 1.00 0.29 H new ATOM 0 HG2 GLU A 74 16.664 -4.656 0.562 1.00 1.25 H new ATOM 0 HG3 GLU A 74 15.699 -3.616 -0.466 1.00 1.25 H new ATOM 728 N THR A 75 14.754 -0.481 3.323 1.00 0.18 N ATOM 729 CA THR A 75 14.215 0.050 4.558 1.00 0.21 C ATOM 730 C THR A 75 12.959 0.871 4.301 1.00 0.17 C ATOM 731 O THR A 75 11.946 0.689 4.967 1.00 0.20 O ATOM 732 CB THR A 75 15.249 0.935 5.271 1.00 0.29 C ATOM 733 OG1 THR A 75 16.407 1.104 4.435 1.00 0.47 O ATOM 734 CG2 THR A 75 15.644 0.329 6.604 1.00 0.47 C ATOM 0 H THR A 75 15.649 -0.077 3.046 1.00 0.18 H new ATOM 0 HA THR A 75 13.965 -0.801 5.192 1.00 0.21 H new ATOM 0 HB THR A 75 14.802 1.911 5.460 1.00 0.29 H new ATOM 0 HG1 THR A 75 16.206 1.748 3.724 1.00 0.47 H new ATOM 0 HG21 THR A 75 16.377 0.971 7.093 1.00 0.47 H new ATOM 0 HG22 THR A 75 14.762 0.237 7.238 1.00 0.47 H new ATOM 0 HG23 THR A 75 16.078 -0.658 6.441 1.00 0.47 H new ATOM 742 N HIS A 76 13.017 1.728 3.285 1.00 0.14 N ATOM 743 CA HIS A 76 11.943 2.683 3.034 1.00 0.12 C ATOM 744 C HIS A 76 10.712 1.966 2.509 1.00 0.10 C ATOM 745 O HIS A 76 9.581 2.273 2.894 1.00 0.10 O ATOM 746 CB HIS A 76 12.389 3.753 2.032 1.00 0.14 C ATOM 747 CG HIS A 76 13.432 4.685 2.557 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.325 5.355 1.746 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.708 5.078 3.819 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.104 6.115 2.490 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.751 5.965 3.752 1.00 0.19 N ATOM 0 H HIS A 76 13.793 1.780 2.625 1.00 0.14 H new ATOM 0 HA HIS A 76 11.696 3.171 3.977 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.774 3.261 1.139 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.519 4.334 1.726 1.00 0.14 H new ATOM 0 HD2 HIS A 76 13.201 4.753 4.716 1.00 0.16 H new ATOM 0 HE1 HIS A 76 15.897 6.752 2.128 1.00 0.22 H new ATOM 0 HE2 HIS A 76 15.184 6.433 4.548 1.00 0.19 H new ATOM 760 N VAL A 77 10.948 0.998 1.635 1.00 0.09 N ATOM 761 CA VAL A 77 9.888 0.200 1.078 1.00 0.07 C ATOM 762 C VAL A 77 9.183 -0.568 2.186 1.00 0.08 C ATOM 763 O VAL A 77 7.977 -0.457 2.348 1.00 0.08 O ATOM 764 CB VAL A 77 10.440 -0.774 0.017 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.383 -1.794 -0.373 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.934 -0.001 -1.209 1.00 0.08 C ATOM 0 H VAL A 77 11.879 0.752 1.299 1.00 0.09 H new ATOM 0 HA VAL A 77 9.171 0.861 0.592 1.00 0.07 H new ATOM 0 HB VAL A 77 11.286 -1.312 0.445 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.791 -2.472 -1.122 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.084 -2.363 0.507 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.515 -1.279 -0.784 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.321 -0.701 -1.949 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.107 0.563 -1.641 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.726 0.686 -0.911 1.00 0.08 H new ATOM 776 N ARG A 78 9.956 -1.304 2.978 1.00 0.09 N ATOM 777 CA ARG A 78 9.400 -2.116 4.054 1.00 0.11 C ATOM 778 C ARG A 78 8.683 -1.271 5.100 1.00 0.10 C ATOM 779 O ARG A 78 7.695 -1.715 5.681 1.00 0.14 O ATOM 780 CB ARG A 78 10.493 -2.938 4.716 1.00 0.18 C ATOM 781 CG ARG A 78 10.884 -4.169 3.914 1.00 0.37 C ATOM 782 CD ARG A 78 11.986 -4.956 4.603 1.00 0.40 C ATOM 783 NE ARG A 78 13.240 -4.207 4.647 1.00 1.11 N ATOM 784 CZ ARG A 78 14.388 -4.701 5.110 1.00 1.43 C ATOM 785 NH1 ARG A 78 14.443 -5.939 5.584 1.00 1.57 N ATOM 786 NH2 ARG A 78 15.485 -3.956 5.103 1.00 2.21 N ATOM 0 H ARG A 78 10.971 -1.355 2.894 1.00 0.09 H new ATOM 0 HA ARG A 78 8.664 -2.783 3.605 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.373 -2.311 4.860 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.157 -3.248 5.705 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.011 -4.807 3.777 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.217 -3.867 2.921 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.675 -5.205 5.618 1.00 0.40 H new ATOM 0 HD3 ARG A 78 12.143 -5.898 4.078 1.00 0.40 H new ATOM 0 HE ARG A 78 13.236 -3.247 4.302 1.00 1.11 H new ATOM 0 HH11 ARG A 78 13.604 -6.518 5.595 1.00 1.57 H new ATOM 0 HH12 ARG A 78 15.325 -6.311 5.937 1.00 1.57 H new ATOM 0 HH21 ARG A 78 15.452 -3.002 4.743 1.00 2.21 H new ATOM 0 HH22 ARG A 78 16.362 -4.337 5.458 1.00 2.21 H new ATOM 800 N ASP A 79 9.184 -0.065 5.335 1.00 0.11 N ATOM 801 CA ASP A 79 8.537 0.881 6.242 1.00 0.12 C ATOM 802 C ASP A 79 7.102 1.113 5.813 1.00 0.11 C ATOM 803 O ASP A 79 6.152 0.930 6.582 1.00 0.12 O ATOM 804 CB ASP A 79 9.278 2.215 6.225 1.00 0.16 C ATOM 805 CG ASP A 79 10.239 2.373 7.388 1.00 0.57 C ATOM 806 OD1 ASP A 79 9.787 2.334 8.553 1.00 1.05 O ATOM 807 OD2 ASP A 79 11.453 2.526 7.144 1.00 0.95 O ATOM 0 H ASP A 79 10.042 0.285 4.908 1.00 0.11 H new ATOM 0 HA ASP A 79 8.557 0.463 7.248 1.00 0.12 H new ATOM 0 HB2 ASP A 79 9.830 2.306 5.290 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.552 3.028 6.247 1.00 0.16 H new ATOM 812 N TRP A 80 6.954 1.456 4.549 1.00 0.10 N ATOM 813 CA TRP A 80 5.664 1.757 3.973 1.00 0.09 C ATOM 814 C TRP A 80 4.872 0.470 3.792 1.00 0.09 C ATOM 815 O TRP A 80 3.639 0.453 3.888 1.00 0.09 O ATOM 816 CB TRP A 80 5.910 2.454 2.639 1.00 0.09 C ATOM 817 CG TRP A 80 4.843 2.262 1.622 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.756 3.045 1.408 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.792 1.217 0.651 1.00 0.09 C ATOM 820 NE1 TRP A 80 3.031 2.550 0.355 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.651 1.428 -0.123 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.610 0.122 0.367 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.305 0.591 -1.169 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.262 -0.712 -0.670 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.119 -0.474 -1.430 1.00 0.10 C ATOM 0 H TRP A 80 7.730 1.533 3.892 1.00 0.10 H new ATOM 0 HA TRP A 80 5.081 2.409 4.623 1.00 0.09 H new ATOM 0 HB2 TRP A 80 6.029 3.522 2.821 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.853 2.094 2.227 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.501 3.925 1.980 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.169 2.953 -0.013 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.499 -0.067 0.950 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.420 0.774 -1.760 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.884 -1.564 -0.899 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.872 -1.144 -2.240 1.00 0.10 H new ATOM 836 N VAL A 81 5.615 -0.604 3.570 1.00 0.10 N ATOM 837 CA VAL A 81 5.063 -1.928 3.370 1.00 0.11 C ATOM 838 C VAL A 81 4.299 -2.359 4.615 1.00 0.11 C ATOM 839 O VAL A 81 3.100 -2.625 4.575 1.00 0.11 O ATOM 840 CB VAL A 81 6.211 -2.927 3.043 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.941 -4.331 3.551 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.471 -2.970 1.548 1.00 0.14 C ATOM 0 H VAL A 81 6.634 -0.576 3.524 1.00 0.10 H new ATOM 0 HA VAL A 81 4.368 -1.916 2.530 1.00 0.11 H new ATOM 0 HB VAL A 81 7.094 -2.557 3.565 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.778 -4.979 3.291 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.821 -4.309 4.634 1.00 0.14 H new ATOM 0 HG13 VAL A 81 5.029 -4.715 3.093 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.277 -3.674 1.339 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.567 -3.290 1.030 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.757 -1.977 1.200 1.00 0.14 H new ATOM 852 N MET A 82 4.997 -2.389 5.724 1.00 0.11 N ATOM 853 CA MET A 82 4.394 -2.758 6.984 1.00 0.12 C ATOM 854 C MET A 82 3.464 -1.679 7.527 1.00 0.11 C ATOM 855 O MET A 82 2.729 -1.945 8.459 1.00 0.12 O ATOM 856 CB MET A 82 5.449 -3.150 8.012 1.00 0.15 C ATOM 857 CG MET A 82 6.385 -2.027 8.416 1.00 0.13 C ATOM 858 SD MET A 82 7.697 -2.593 9.517 1.00 0.49 S ATOM 859 CE MET A 82 6.745 -3.491 10.744 1.00 0.42 C ATOM 0 H MET A 82 5.990 -2.161 5.781 1.00 0.11 H new ATOM 0 HA MET A 82 3.775 -3.633 6.788 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.947 -3.525 8.904 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.041 -3.972 7.610 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.828 -1.587 7.523 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.814 -1.240 8.909 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.312 -3.549 11.673 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.803 -2.973 10.925 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.541 -4.498 10.381 1.00 0.42 H new ATOM 869 N TRP A 83 3.503 -0.460 6.993 1.00 0.09 N ATOM 870 CA TRP A 83 2.584 0.571 7.476 1.00 0.09 C ATOM 871 C TRP A 83 1.139 0.253 7.086 1.00 0.09 C ATOM 872 O TRP A 83 0.286 0.092 7.952 1.00 0.11 O ATOM 873 CB TRP A 83 2.971 1.967 6.967 1.00 0.09 C ATOM 874 CG TRP A 83 1.986 3.023 7.355 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.947 3.721 8.523 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.895 3.502 6.564 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.901 4.611 8.504 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.239 4.493 7.311 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.414 3.185 5.295 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.871 5.173 6.825 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.686 3.858 4.815 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.316 4.842 5.576 1.00 0.15 C ATOM 0 H TRP A 83 4.138 -0.167 6.250 1.00 0.09 H new ATOM 0 HA TRP A 83 2.660 0.575 8.563 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.953 2.232 7.359 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.058 1.941 5.881 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.637 3.594 9.344 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.657 5.255 9.256 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.896 2.424 4.699 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.363 5.934 7.412 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.068 3.620 3.833 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.175 5.354 5.169 1.00 0.15 H new ATOM 893 N ALA A 84 0.852 0.142 5.796 1.00 0.09 N ATOM 894 CA ALA A 84 -0.514 -0.172 5.380 1.00 0.10 C ATOM 895 C ALA A 84 -0.903 -1.517 5.973 1.00 0.10 C ATOM 896 O ALA A 84 -2.035 -1.735 6.414 1.00 0.12 O ATOM 897 CB ALA A 84 -0.648 -0.174 3.862 1.00 0.12 C ATOM 0 H ALA A 84 1.523 0.260 5.037 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.192 0.598 5.749 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.676 -0.411 3.588 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.386 0.810 3.472 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.022 -0.922 3.439 1.00 0.12 H new ATOM 903 N VAL A 85 0.085 -2.394 6.020 1.00 0.10 N ATOM 904 CA VAL A 85 -0.031 -3.679 6.678 1.00 0.11 C ATOM 905 C VAL A 85 -0.390 -3.545 8.163 1.00 0.13 C ATOM 906 O VAL A 85 -1.393 -4.095 8.597 1.00 0.14 O ATOM 907 CB VAL A 85 1.284 -4.479 6.499 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.486 -5.512 7.598 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.300 -5.154 5.141 1.00 0.14 C ATOM 0 H VAL A 85 0.999 -2.230 5.597 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.852 -4.220 6.207 1.00 0.11 H new ATOM 0 HB VAL A 85 2.108 -3.769 6.566 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.421 -6.046 7.428 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.525 -5.011 8.565 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.657 -6.220 7.589 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.228 -5.714 5.024 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.453 -5.835 5.063 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.231 -4.399 4.358 1.00 0.14 H new ATOM 919 N ASN A 86 0.400 -2.811 8.941 1.00 0.15 N ATOM 920 CA ASN A 86 0.197 -2.757 10.390 1.00 0.19 C ATOM 921 C ASN A 86 -1.088 -2.028 10.749 1.00 0.23 C ATOM 922 O ASN A 86 -1.646 -2.217 11.826 1.00 0.27 O ATOM 923 CB ASN A 86 1.408 -2.164 11.128 1.00 0.23 C ATOM 924 CG ASN A 86 1.359 -0.661 11.376 1.00 0.34 C ATOM 925 OD1 ASN A 86 1.854 -0.184 12.397 1.00 0.61 O ATOM 926 ND2 ASN A 86 0.796 0.095 10.458 1.00 0.32 N ATOM 0 H ASN A 86 1.180 -2.250 8.599 1.00 0.15 H new ATOM 0 HA ASN A 86 0.096 -3.788 10.730 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.508 -2.669 12.089 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.307 -2.390 10.554 1.00 0.23 H new ATOM 0 HD21 ASN A 86 0.761 1.107 10.582 1.00 0.32 H new ATOM 0 HD22 ASN A 86 0.395 -0.331 9.623 1.00 0.32 H new ATOM 933 N GLU A 87 -1.565 -1.226 9.817 1.00 0.24 N ATOM 934 CA GLU A 87 -2.780 -0.458 10.014 1.00 0.31 C ATOM 935 C GLU A 87 -3.945 -1.418 9.920 1.00 0.28 C ATOM 936 O GLU A 87 -4.902 -1.371 10.693 1.00 0.35 O ATOM 937 CB GLU A 87 -2.891 0.622 8.931 1.00 0.38 C ATOM 938 CG GLU A 87 -4.262 1.273 8.831 1.00 1.23 C ATOM 939 CD GLU A 87 -4.585 2.163 10.007 1.00 1.35 C ATOM 940 OE1 GLU A 87 -4.998 1.647 11.063 1.00 2.15 O ATOM 941 OE2 GLU A 87 -4.446 3.398 9.871 1.00 1.08 O ATOM 0 H GLU A 87 -1.125 -1.088 8.907 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.774 0.036 10.986 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.149 1.395 9.129 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -2.641 0.179 7.967 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -4.312 1.861 7.914 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -5.022 0.495 8.753 1.00 1.23 H new ATOM 948 N PHE A 88 -3.802 -2.319 8.975 1.00 0.23 N ATOM 949 CA PHE A 88 -4.794 -3.321 8.695 1.00 0.23 C ATOM 950 C PHE A 88 -4.603 -4.576 9.531 1.00 0.25 C ATOM 951 O PHE A 88 -5.424 -5.492 9.477 1.00 0.30 O ATOM 952 CB PHE A 88 -4.701 -3.674 7.229 1.00 0.24 C ATOM 953 CG PHE A 88 -5.627 -2.875 6.371 1.00 0.28 C ATOM 954 CD1 PHE A 88 -6.960 -3.237 6.255 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.176 -1.762 5.692 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.825 -2.499 5.474 1.00 0.47 C ATOM 957 CE2 PHE A 88 -6.035 -1.026 4.910 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.361 -1.391 4.802 1.00 0.45 C ATOM 0 H PHE A 88 -2.980 -2.374 8.373 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.774 -2.916 8.947 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.677 -3.519 6.889 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -4.922 -4.734 7.102 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.325 -4.106 6.782 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.141 -1.466 5.775 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.862 -2.789 5.390 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.670 -0.159 4.379 1.00 0.50 H new ATOM 0 HZ PHE A 88 -8.034 -0.808 4.191 1.00 0.45 H new ATOM 968 N SER A 89 -3.519 -4.607 10.303 1.00 0.27 N ATOM 969 CA SER A 89 -3.120 -5.803 11.024 1.00 0.34 C ATOM 970 C SER A 89 -2.845 -6.941 10.044 1.00 0.36 C ATOM 971 O SER A 89 -3.183 -8.097 10.292 1.00 0.48 O ATOM 972 CB SER A 89 -4.180 -6.200 12.057 1.00 0.45 C ATOM 973 OG SER A 89 -4.347 -5.172 13.026 1.00 1.07 O ATOM 0 H SER A 89 -2.900 -3.808 10.443 1.00 0.27 H new ATOM 0 HA SER A 89 -2.199 -5.591 11.568 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.129 -6.392 11.556 1.00 0.45 H new ATOM 0 HB3 SER A 89 -3.886 -7.127 12.550 1.00 0.45 H new ATOM 0 HG SER A 89 -5.029 -5.443 13.676 1.00 1.07 H new ATOM 979 N LEU A 90 -2.197 -6.602 8.928 1.00 0.31 N ATOM 980 CA LEU A 90 -1.787 -7.588 7.934 1.00 0.40 C ATOM 981 C LEU A 90 -0.447 -8.137 8.337 1.00 0.59 C ATOM 982 O LEU A 90 0.268 -8.696 7.511 1.00 1.23 O ATOM 983 CB LEU A 90 -1.627 -6.949 6.550 1.00 0.33 C ATOM 984 CG LEU A 90 -2.683 -5.919 6.184 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.309 -5.252 4.881 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.052 -6.580 6.081 1.00 0.27 C ATOM 0 H LEU A 90 -1.944 -5.643 8.691 1.00 0.31 H new ATOM 0 HA LEU A 90 -2.550 -8.365 7.884 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.647 -6.475 6.498 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.639 -7.739 5.800 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.733 -5.160 6.965 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -3.067 -4.514 4.620 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.343 -4.758 4.989 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.246 -6.002 4.093 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.799 -5.831 5.818 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.026 -7.352 5.312 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.311 -7.031 7.039 1.00 0.27 H new ATOM 998 N LYS A 91 -0.088 -7.856 9.589 1.00 0.24 N ATOM 999 CA LYS A 91 1.185 -8.256 10.189 1.00 0.39 C ATOM 1000 C LYS A 91 1.426 -9.768 10.161 1.00 0.26 C ATOM 1001 O LYS A 91 1.569 -10.416 11.198 1.00 0.39 O ATOM 1002 CB LYS A 91 1.248 -7.744 11.631 1.00 0.78 C ATOM 1003 CG LYS A 91 0.929 -6.258 11.769 1.00 1.31 C ATOM 1004 CD LYS A 91 1.214 -5.748 13.171 1.00 1.49 C ATOM 1005 CE LYS A 91 2.705 -5.601 13.407 1.00 1.91 C ATOM 1006 NZ LYS A 91 3.016 -5.271 14.821 1.00 2.48 N ATOM 0 H LYS A 91 -0.686 -7.333 10.228 1.00 0.24 H new ATOM 0 HA LYS A 91 1.975 -7.809 9.585 1.00 0.39 H new ATOM 0 HB2 LYS A 91 0.548 -8.315 12.241 1.00 0.78 H new ATOM 0 HB3 LYS A 91 2.245 -7.931 12.030 1.00 0.78 H new ATOM 0 HG2 LYS A 91 1.519 -5.691 11.049 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -0.120 -6.087 11.526 1.00 1.31 H new ATOM 0 HD2 LYS A 91 0.723 -4.786 13.318 1.00 1.49 H new ATOM 0 HD3 LYS A 91 0.793 -6.436 13.904 1.00 1.49 H new ATOM 0 HE2 LYS A 91 3.208 -6.528 13.132 1.00 1.91 H new ATOM 0 HE3 LYS A 91 3.099 -4.819 12.757 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 4.045 -5.180 14.938 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 2.557 -4.373 15.077 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 2.663 -6.029 15.440 1.00 2.48 H new ATOM 1020 N GLY A 92 1.442 -10.313 8.964 1.00 0.26 N ATOM 1021 CA GLY A 92 1.942 -11.631 8.697 1.00 0.31 C ATOM 1022 C GLY A 92 2.646 -11.583 7.361 1.00 0.31 C ATOM 1023 O GLY A 92 2.760 -12.581 6.646 1.00 0.47 O ATOM 0 H GLY A 92 1.097 -9.834 8.132 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.629 -11.948 9.482 1.00 0.31 H new ATOM 0 HA3 GLY A 92 1.127 -12.354 8.676 1.00 0.31 H new ATOM 1027 N VAL A 93 3.114 -10.373 7.038 1.00 0.21 N ATOM 1028 CA VAL A 93 3.794 -10.093 5.793 1.00 0.21 C ATOM 1029 C VAL A 93 5.189 -10.671 5.855 1.00 0.20 C ATOM 1030 O VAL A 93 5.866 -10.567 6.882 1.00 0.22 O ATOM 1031 CB VAL A 93 3.841 -8.558 5.535 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.256 -8.042 5.322 1.00 0.21 C ATOM 1033 CG2 VAL A 93 2.989 -8.208 4.339 1.00 0.23 C ATOM 0 H VAL A 93 3.025 -9.560 7.647 1.00 0.21 H new ATOM 0 HA VAL A 93 3.252 -10.553 4.967 1.00 0.21 H new ATOM 0 HB VAL A 93 3.449 -8.074 6.430 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.229 -6.967 5.147 1.00 0.21 H new ATOM 0 HG12 VAL A 93 5.856 -8.250 6.208 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.698 -8.539 4.459 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.028 -7.132 4.167 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.365 -8.730 3.459 1.00 0.23 H new ATOM 0 HG23 VAL A 93 1.958 -8.508 4.526 1.00 0.23 H new ATOM 1043 N ASP A 94 5.617 -11.312 4.788 1.00 0.21 N ATOM 1044 CA ASP A 94 6.962 -11.827 4.754 1.00 0.24 C ATOM 1045 C ASP A 94 7.879 -10.710 4.322 1.00 0.21 C ATOM 1046 O ASP A 94 7.943 -10.371 3.143 1.00 0.20 O ATOM 1047 CB ASP A 94 7.093 -13.024 3.818 1.00 0.32 C ATOM 1048 CG ASP A 94 8.453 -13.679 3.954 1.00 1.02 C ATOM 1049 OD1 ASP A 94 8.671 -14.397 4.954 1.00 1.10 O ATOM 1050 OD2 ASP A 94 9.311 -13.466 3.080 1.00 1.94 O ATOM 0 H ASP A 94 5.063 -11.485 3.949 1.00 0.21 H new ATOM 0 HA ASP A 94 7.234 -12.182 5.748 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.312 -13.751 4.041 1.00 0.32 H new ATOM 0 HB3 ASP A 94 6.943 -12.702 2.788 1.00 0.32 H new ATOM 1055 N PHE A 95 8.562 -10.112 5.284 1.00 0.23 N ATOM 1056 CA PHE A 95 9.367 -8.931 5.015 1.00 0.24 C ATOM 1057 C PHE A 95 10.486 -9.258 4.039 1.00 0.23 C ATOM 1058 O PHE A 95 11.046 -8.374 3.397 1.00 0.28 O ATOM 1059 CB PHE A 95 9.957 -8.370 6.308 1.00 0.29 C ATOM 1060 CG PHE A 95 8.923 -7.979 7.321 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.252 -6.777 7.205 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.625 -8.811 8.388 1.00 0.41 C ATOM 1063 CE1 PHE A 95 7.297 -6.410 8.133 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.672 -8.450 9.321 1.00 0.52 C ATOM 1065 CZ PHE A 95 7.008 -7.246 9.191 1.00 0.61 C ATOM 0 H PHE A 95 8.576 -10.423 6.255 1.00 0.23 H new ATOM 0 HA PHE A 95 8.717 -8.177 4.570 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.620 -9.115 6.748 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.568 -7.499 6.071 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.477 -6.117 6.380 1.00 0.55 H new ATOM 0 HD2 PHE A 95 9.144 -9.753 8.492 1.00 0.41 H new ATOM 0 HE1 PHE A 95 6.777 -5.469 8.030 1.00 0.66 H new ATOM 0 HE2 PHE A 95 7.447 -9.107 10.149 1.00 0.52 H new ATOM 0 HZ PHE A 95 6.262 -6.959 9.918 1.00 0.61 H new ATOM 1075 N GLN A 96 10.796 -10.540 3.937 1.00 0.21 N ATOM 1076 CA GLN A 96 11.837 -11.017 3.040 1.00 0.24 C ATOM 1077 C GLN A 96 11.319 -11.103 1.614 1.00 0.21 C ATOM 1078 O GLN A 96 12.068 -10.926 0.654 1.00 0.25 O ATOM 1079 CB GLN A 96 12.346 -12.377 3.501 1.00 0.33 C ATOM 1080 CG GLN A 96 13.102 -12.326 4.817 1.00 1.06 C ATOM 1081 CD GLN A 96 14.360 -11.488 4.712 1.00 1.50 C ATOM 1082 OE1 GLN A 96 15.431 -11.997 4.379 1.00 2.08 O ATOM 1083 NE2 GLN A 96 14.248 -10.203 5.006 1.00 1.93 N ATOM 0 H GLN A 96 10.336 -11.277 4.471 1.00 0.21 H new ATOM 0 HA GLN A 96 12.663 -10.306 3.062 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.500 -13.057 3.603 1.00 0.33 H new ATOM 0 HB3 GLN A 96 12.998 -12.792 2.732 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.455 -11.915 5.592 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.364 -13.338 5.125 1.00 1.06 H new ATOM 0 HE21 GLN A 96 13.343 -9.819 5.278 1.00 1.93 H new ATOM 0 HE22 GLN A 96 15.067 -9.596 4.961 1.00 1.93 H new ATOM 1092 N LYS A 97 10.029 -11.367 1.477 1.00 0.18 N ATOM 1093 CA LYS A 97 9.389 -11.356 0.177 1.00 0.19 C ATOM 1094 C LYS A 97 9.207 -9.907 -0.235 1.00 0.17 C ATOM 1095 O LYS A 97 9.153 -9.575 -1.415 1.00 0.20 O ATOM 1096 CB LYS A 97 8.031 -12.066 0.249 1.00 0.23 C ATOM 1097 CG LYS A 97 7.707 -12.942 -0.952 1.00 0.26 C ATOM 1098 CD LYS A 97 7.426 -12.129 -2.203 1.00 0.25 C ATOM 1099 CE LYS A 97 7.000 -13.022 -3.357 1.00 0.38 C ATOM 1100 NZ LYS A 97 5.832 -13.874 -3.000 1.00 1.43 N ATOM 0 H LYS A 97 9.406 -11.591 2.253 1.00 0.18 H new ATOM 0 HA LYS A 97 10.002 -11.883 -0.554 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.006 -12.682 1.148 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.249 -11.315 0.355 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.541 -13.618 -1.141 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.840 -13.562 -0.723 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.643 -11.399 -1.997 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.318 -11.569 -2.484 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.749 -12.405 -4.220 1.00 0.38 H new ATOM 0 HE3 LYS A 97 7.835 -13.657 -3.652 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 5.171 -13.911 -3.802 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 6.159 -14.835 -2.776 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 5.349 -13.471 -2.172 1.00 1.43 H new ATOM 1114 N PHE A 98 9.167 -9.050 0.776 1.00 0.16 N ATOM 1115 CA PHE A 98 8.967 -7.621 0.600 1.00 0.16 C ATOM 1116 C PHE A 98 10.290 -6.874 0.537 1.00 0.20 C ATOM 1117 O PHE A 98 10.333 -5.647 0.669 1.00 0.22 O ATOM 1118 CB PHE A 98 8.131 -7.073 1.741 1.00 0.15 C ATOM 1119 CG PHE A 98 6.664 -7.163 1.480 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.027 -6.153 0.788 1.00 0.11 C ATOM 1121 CD2 PHE A 98 5.924 -8.247 1.912 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.679 -6.214 0.536 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.573 -8.314 1.658 1.00 0.13 C ATOM 1124 CZ PHE A 98 3.951 -7.296 0.968 1.00 0.12 C ATOM 0 H PHE A 98 9.274 -9.332 1.751 1.00 0.16 H new ATOM 0 HA PHE A 98 8.447 -7.472 -0.347 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.367 -7.620 2.654 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.401 -6.031 1.915 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.596 -5.304 0.440 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.409 -9.047 2.452 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.192 -5.413 -0.001 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.001 -9.164 1.999 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.891 -7.349 0.767 1.00 0.12 H new ATOM 1134 N CYS A 99 11.369 -7.614 0.354 1.00 0.26 N ATOM 1135 CA CYS A 99 12.683 -7.017 0.222 1.00 0.31 C ATOM 1136 C CYS A 99 12.836 -6.332 -1.127 1.00 0.23 C ATOM 1137 O CYS A 99 13.420 -6.888 -2.062 1.00 0.27 O ATOM 1138 CB CYS A 99 13.754 -8.081 0.378 1.00 0.45 C ATOM 1139 SG CYS A 99 14.009 -8.644 2.076 1.00 1.20 S ATOM 0 H CYS A 99 11.359 -8.632 0.293 1.00 0.26 H new ATOM 0 HA CYS A 99 12.796 -6.268 1.006 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.489 -8.939 -0.240 1.00 0.45 H new ATOM 0 HB3 CYS A 99 14.696 -7.690 -0.007 1.00 0.45 H new ATOM 0 HG CYS A 99 12.940 -8.407 2.777 1.00 1.20 H new ATOM 1145 N MET A 100 12.311 -5.128 -1.223 1.00 0.19 N ATOM 1146 CA MET A 100 12.466 -4.337 -2.421 1.00 0.16 C ATOM 1147 C MET A 100 13.206 -3.060 -2.125 1.00 0.17 C ATOM 1148 O MET A 100 12.938 -2.383 -1.135 1.00 0.20 O ATOM 1149 CB MET A 100 11.120 -3.969 -3.057 1.00 0.22 C ATOM 1150 CG MET A 100 10.506 -5.062 -3.905 1.00 0.22 C ATOM 1151 SD MET A 100 9.602 -6.273 -2.925 1.00 0.13 S ATOM 1152 CE MET A 100 8.371 -5.226 -2.148 1.00 0.18 C ATOM 0 H MET A 100 11.773 -4.677 -0.483 1.00 0.19 H new ATOM 0 HA MET A 100 13.030 -4.955 -3.120 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.419 -3.704 -2.265 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.255 -3.081 -3.674 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.832 -4.615 -4.635 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.293 -5.567 -4.465 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.512 -5.239 -1.067 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.477 -4.205 -2.515 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.374 -5.596 -2.389 1.00 0.18 H new ATOM 1162 N SER A 101 14.156 -2.755 -2.974 1.00 0.16 N ATOM 1163 CA SER A 101 14.617 -1.402 -3.099 1.00 0.18 C ATOM 1164 C SER A 101 13.526 -0.684 -3.874 1.00 0.14 C ATOM 1165 O SER A 101 12.817 -1.335 -4.624 1.00 0.15 O ATOM 1166 CB SER A 101 15.955 -1.353 -3.840 1.00 0.24 C ATOM 1167 OG SER A 101 16.885 -2.269 -3.280 1.00 1.26 O ATOM 0 H SER A 101 14.622 -3.426 -3.585 1.00 0.16 H new ATOM 0 HA SER A 101 14.793 -0.934 -2.130 1.00 0.18 H new ATOM 0 HB2 SER A 101 15.799 -1.587 -4.893 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.362 -0.343 -3.794 1.00 0.24 H new ATOM 0 HG SER A 101 17.282 -1.880 -2.473 1.00 1.26 H new ATOM 1173 N GLY A 102 13.338 0.599 -3.677 1.00 0.13 N ATOM 1174 CA GLY A 102 12.207 1.276 -4.274 1.00 0.14 C ATOM 1175 C GLY A 102 12.055 1.062 -5.774 1.00 0.14 C ATOM 1176 O GLY A 102 10.932 0.924 -6.266 1.00 0.16 O ATOM 0 H GLY A 102 13.946 1.193 -3.113 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.296 0.939 -3.779 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.298 2.345 -4.081 1.00 0.14 H new ATOM 1180 N ALA A 103 13.164 1.043 -6.506 1.00 0.17 N ATOM 1181 CA ALA A 103 13.111 0.773 -7.939 1.00 0.21 C ATOM 1182 C ALA A 103 12.557 -0.624 -8.182 1.00 0.21 C ATOM 1183 O ALA A 103 11.802 -0.854 -9.126 1.00 0.25 O ATOM 1184 CB ALA A 103 14.483 0.922 -8.570 1.00 0.26 C ATOM 0 H ALA A 103 14.100 1.209 -6.137 1.00 0.17 H new ATOM 0 HA ALA A 103 12.449 1.502 -8.406 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.417 0.716 -9.638 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.845 1.939 -8.419 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.175 0.218 -8.107 1.00 0.26 H new ATOM 1190 N ALA A 104 12.920 -1.542 -7.295 1.00 0.19 N ATOM 1191 CA ALA A 104 12.405 -2.899 -7.327 1.00 0.20 C ATOM 1192 C ALA A 104 10.951 -2.911 -6.887 1.00 0.16 C ATOM 1193 O ALA A 104 10.128 -3.613 -7.473 1.00 0.17 O ATOM 1194 CB ALA A 104 13.235 -3.805 -6.432 1.00 0.22 C ATOM 0 H ALA A 104 13.578 -1.364 -6.536 1.00 0.19 H new ATOM 0 HA ALA A 104 12.469 -3.274 -8.348 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.835 -4.818 -6.468 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.269 -3.811 -6.778 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.198 -3.437 -5.407 1.00 0.22 H new ATOM 1200 N LEU A 105 10.639 -2.136 -5.839 1.00 0.12 N ATOM 1201 CA LEU A 105 9.268 -1.936 -5.392 1.00 0.09 C ATOM 1202 C LEU A 105 8.352 -1.585 -6.543 1.00 0.12 C ATOM 1203 O LEU A 105 7.245 -2.068 -6.652 1.00 0.13 O ATOM 1204 CB LEU A 105 9.206 -0.800 -4.363 1.00 0.09 C ATOM 1205 CG LEU A 105 7.806 -0.554 -3.825 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.316 -1.762 -3.057 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.761 0.678 -2.957 1.00 0.14 C ATOM 0 H LEU A 105 11.333 -1.635 -5.284 1.00 0.12 H new ATOM 0 HA LEU A 105 8.936 -2.874 -4.946 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.871 -1.035 -3.532 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.578 0.117 -4.821 1.00 0.09 H new ATOM 0 HG LEU A 105 7.145 -0.387 -4.675 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.312 -1.570 -2.678 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.295 -2.629 -3.717 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.988 -1.959 -2.221 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.746 0.826 -2.588 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.439 0.553 -2.113 1.00 0.14 H new ATOM 0 HD23 LEU A 105 8.065 1.546 -3.542 1.00 0.14 H new ATOM 1219 N CYS A 106 8.806 -0.663 -7.331 1.00 0.21 N ATOM 1220 CA CYS A 106 8.114 -0.272 -8.534 1.00 0.31 C ATOM 1221 C CYS A 106 8.129 -1.379 -9.591 1.00 0.34 C ATOM 1222 O CYS A 106 7.078 -1.762 -10.111 1.00 0.40 O ATOM 1223 CB CYS A 106 8.767 0.991 -9.070 1.00 0.39 C ATOM 1224 SG CYS A 106 7.996 1.674 -10.555 1.00 0.74 S ATOM 0 H CYS A 106 9.673 -0.152 -7.163 1.00 0.21 H new ATOM 0 HA CYS A 106 7.067 -0.086 -8.296 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.752 1.750 -8.288 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.814 0.778 -9.287 1.00 0.39 H new ATOM 0 HG CYS A 106 7.278 0.757 -11.132 1.00 0.74 H new ATOM 1230 N ALA A 107 9.322 -1.889 -9.898 1.00 0.33 N ATOM 1231 CA ALA A 107 9.519 -2.867 -10.971 1.00 0.41 C ATOM 1232 C ALA A 107 8.605 -4.086 -10.879 1.00 0.38 C ATOM 1233 O ALA A 107 8.267 -4.668 -11.912 1.00 0.46 O ATOM 1234 CB ALA A 107 10.972 -3.321 -11.001 1.00 0.47 C ATOM 0 H ALA A 107 10.181 -1.636 -9.410 1.00 0.33 H new ATOM 0 HA ALA A 107 9.255 -2.354 -11.895 1.00 0.41 H new ATOM 0 HB1 ALA A 107 11.110 -4.048 -11.801 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.618 -2.461 -11.177 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.230 -3.780 -10.046 1.00 0.47 H new ATOM 1240 N LEU A 108 8.211 -4.487 -9.670 1.00 0.29 N ATOM 1241 CA LEU A 108 7.383 -5.680 -9.512 1.00 0.26 C ATOM 1242 C LEU A 108 6.055 -5.564 -10.264 1.00 0.26 C ATOM 1243 O LEU A 108 5.599 -6.532 -10.878 1.00 0.28 O ATOM 1244 CB LEU A 108 7.146 -6.027 -8.024 1.00 0.21 C ATOM 1245 CG LEU A 108 6.877 -4.866 -7.052 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.517 -4.202 -7.295 1.00 0.21 C ATOM 1247 CD2 LEU A 108 6.987 -5.372 -5.623 1.00 0.19 C ATOM 0 H LEU A 108 8.448 -4.011 -8.799 1.00 0.29 H new ATOM 0 HA LEU A 108 7.942 -6.502 -9.959 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.300 -6.712 -7.970 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.019 -6.570 -7.663 1.00 0.21 H new ATOM 0 HG LEU A 108 7.629 -4.097 -7.228 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.377 -3.389 -6.583 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.482 -3.805 -8.310 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.724 -4.939 -7.166 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.797 -4.552 -4.931 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.254 -6.162 -5.459 1.00 0.19 H new ATOM 0 HD23 LEU A 108 7.989 -5.766 -5.453 1.00 0.19 H new ATOM 1259 N GLY A 109 5.457 -4.379 -10.251 1.00 0.27 N ATOM 1260 CA GLY A 109 4.136 -4.209 -10.828 1.00 0.32 C ATOM 1261 C GLY A 109 3.065 -4.868 -9.977 1.00 0.27 C ATOM 1262 O GLY A 109 3.375 -5.676 -9.098 1.00 0.23 O ATOM 0 H GLY A 109 5.863 -3.533 -9.851 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.917 -3.146 -10.930 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.119 -4.636 -11.831 1.00 0.32 H new ATOM 1266 N LYS A 110 1.806 -4.522 -10.222 1.00 0.33 N ATOM 1267 CA LYS A 110 0.697 -5.092 -9.461 1.00 0.36 C ATOM 1268 C LYS A 110 0.758 -6.623 -9.480 1.00 0.26 C ATOM 1269 O LYS A 110 0.632 -7.257 -8.433 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.656 -4.563 -9.995 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.575 -5.621 -10.604 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.373 -6.379 -9.559 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.389 -7.886 -9.828 1.00 0.39 C ATOM 1274 NZ LYS A 110 -2.980 -8.218 -11.152 1.00 0.67 N ATOM 0 H LYS A 110 1.527 -3.852 -10.939 1.00 0.33 H new ATOM 0 HA LYS A 110 0.786 -4.776 -8.422 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.185 -4.073 -9.177 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.458 -3.800 -10.748 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.262 -5.141 -11.301 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -0.977 -6.327 -11.180 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -1.948 -6.192 -8.573 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.396 -6.003 -9.542 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.371 -8.272 -9.780 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -2.957 -8.387 -9.044 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -3.204 -9.233 -11.188 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -3.851 -7.667 -11.292 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -2.299 -7.987 -11.904 1.00 0.67 H new ATOM 1288 N GLU A 111 0.958 -7.205 -10.669 1.00 0.25 N ATOM 1289 CA GLU A 111 1.001 -8.665 -10.838 1.00 0.31 C ATOM 1290 C GLU A 111 1.872 -9.333 -9.775 1.00 0.27 C ATOM 1291 O GLU A 111 1.437 -10.257 -9.092 1.00 0.39 O ATOM 1292 CB GLU A 111 1.558 -9.030 -12.222 1.00 0.48 C ATOM 1293 CG GLU A 111 1.041 -8.174 -13.372 1.00 1.39 C ATOM 1294 CD GLU A 111 -0.463 -8.221 -13.538 1.00 1.95 C ATOM 1295 OE1 GLU A 111 -0.956 -9.091 -14.279 1.00 2.46 O ATOM 1296 OE2 GLU A 111 -1.157 -7.371 -12.949 1.00 2.54 O ATOM 0 H GLU A 111 1.094 -6.683 -11.535 1.00 0.25 H new ATOM 0 HA GLU A 111 -0.023 -9.025 -10.735 1.00 0.31 H new ATOM 0 HB2 GLU A 111 2.645 -8.952 -12.191 1.00 0.48 H new ATOM 0 HB3 GLU A 111 1.319 -10.073 -12.430 1.00 0.48 H new ATOM 0 HG2 GLU A 111 1.348 -7.141 -13.210 1.00 1.39 H new ATOM 0 HG3 GLU A 111 1.510 -8.504 -14.299 1.00 1.39 H new ATOM 1303 N CYS A 112 3.086 -8.836 -9.627 1.00 0.21 N ATOM 1304 CA CYS A 112 4.043 -9.441 -8.725 1.00 0.18 C ATOM 1305 C CYS A 112 3.712 -9.088 -7.285 1.00 0.15 C ATOM 1306 O CYS A 112 3.649 -9.968 -6.434 1.00 0.17 O ATOM 1307 CB CYS A 112 5.469 -9.014 -9.071 1.00 0.21 C ATOM 1308 SG CYS A 112 6.752 -9.822 -8.084 1.00 1.36 S ATOM 0 H CYS A 112 3.431 -8.013 -10.122 1.00 0.21 H new ATOM 0 HA CYS A 112 3.980 -10.523 -8.840 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.652 -9.224 -10.125 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.554 -7.935 -8.941 1.00 0.21 H new ATOM 0 HG CYS A 112 7.921 -9.393 -8.457 1.00 1.36 H new ATOM 1314 N PHE A 113 3.488 -7.800 -7.023 1.00 0.13 N ATOM 1315 CA PHE A 113 3.247 -7.317 -5.669 1.00 0.12 C ATOM 1316 C PHE A 113 2.113 -8.081 -4.977 1.00 0.13 C ATOM 1317 O PHE A 113 2.213 -8.439 -3.801 1.00 0.14 O ATOM 1318 CB PHE A 113 2.928 -5.814 -5.684 1.00 0.12 C ATOM 1319 CG PHE A 113 3.219 -5.141 -4.371 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.455 -5.441 -3.262 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.279 -4.247 -4.226 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.725 -4.873 -2.043 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.556 -3.686 -2.998 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.779 -3.998 -1.906 1.00 0.10 C ATOM 0 H PHE A 113 3.469 -7.072 -7.737 1.00 0.13 H new ATOM 0 HA PHE A 113 4.161 -7.490 -5.100 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.509 -5.332 -6.470 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.876 -5.673 -5.933 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.632 -6.134 -3.355 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.887 -3.992 -5.082 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.109 -5.113 -1.189 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.384 -3.001 -2.893 1.00 0.13 H new ATOM 0 HZ PHE A 113 3.995 -3.558 -0.944 1.00 0.10 H new ATOM 1334 N LEU A 114 1.034 -8.343 -5.685 1.00 0.14 N ATOM 1335 CA LEU A 114 -0.118 -8.950 -5.037 1.00 0.17 C ATOM 1336 C LEU A 114 0.111 -10.429 -4.814 1.00 0.22 C ATOM 1337 O LEU A 114 -0.505 -11.032 -3.942 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.406 -8.738 -5.815 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.592 -7.358 -6.435 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.065 -7.052 -6.566 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.908 -6.258 -5.649 1.00 0.50 C ATOM 0 H LEU A 114 0.927 -8.153 -6.681 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.232 -8.451 -4.075 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.453 -9.481 -6.611 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.246 -8.931 -5.148 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.121 -7.385 -7.418 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.193 -6.065 -7.010 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.537 -7.800 -7.203 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.529 -7.070 -5.580 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.077 -5.300 -6.141 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.317 -6.224 -4.639 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.163 -6.457 -5.601 1.00 0.50 H new ATOM 1353 N GLU A 115 0.982 -11.017 -5.620 1.00 0.22 N ATOM 1354 CA GLU A 115 1.436 -12.369 -5.365 1.00 0.28 C ATOM 1355 C GLU A 115 2.498 -12.347 -4.275 1.00 0.27 C ATOM 1356 O GLU A 115 2.820 -13.365 -3.663 1.00 0.37 O ATOM 1357 CB GLU A 115 2.036 -13.004 -6.613 1.00 0.37 C ATOM 1358 CG GLU A 115 1.065 -13.165 -7.765 1.00 0.48 C ATOM 1359 CD GLU A 115 1.604 -14.106 -8.821 1.00 1.33 C ATOM 1360 OE1 GLU A 115 2.481 -13.691 -9.605 1.00 2.21 O ATOM 1361 OE2 GLU A 115 1.173 -15.280 -8.852 1.00 1.81 O ATOM 0 H GLU A 115 1.384 -10.580 -6.449 1.00 0.22 H new ATOM 0 HA GLU A 115 0.573 -12.958 -5.055 1.00 0.28 H new ATOM 0 HB2 GLU A 115 2.877 -12.396 -6.946 1.00 0.37 H new ATOM 0 HB3 GLU A 115 2.435 -13.984 -6.351 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.114 -13.544 -7.390 1.00 0.48 H new ATOM 0 HG3 GLU A 115 0.866 -12.191 -8.212 1.00 0.48 H new ATOM 1368 N LEU A 116 3.020 -11.156 -4.046 1.00 0.20 N ATOM 1369 CA LEU A 116 4.133 -10.929 -3.145 1.00 0.19 C ATOM 1370 C LEU A 116 3.644 -10.783 -1.699 1.00 0.22 C ATOM 1371 O LEU A 116 4.406 -10.951 -0.747 1.00 0.26 O ATOM 1372 CB LEU A 116 4.901 -9.704 -3.659 1.00 0.15 C ATOM 1373 CG LEU A 116 5.614 -8.845 -2.631 1.00 0.13 C ATOM 1374 CD1 LEU A 116 6.974 -8.427 -3.155 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.785 -7.619 -2.321 1.00 0.16 C ATOM 0 H LEU A 116 2.675 -10.304 -4.489 1.00 0.20 H new ATOM 0 HA LEU A 116 4.811 -11.782 -3.129 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.641 -10.049 -4.381 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.199 -9.069 -4.200 1.00 0.15 H new ATOM 0 HG LEU A 116 5.749 -9.426 -1.718 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.477 -7.811 -2.410 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.574 -9.314 -3.358 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.850 -7.855 -4.074 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.303 -7.007 -1.582 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.637 -7.040 -3.233 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.817 -7.925 -1.924 1.00 0.16 H new ATOM 1387 N ALA A 117 2.362 -10.489 -1.558 1.00 0.21 N ATOM 1388 CA ALA A 117 1.678 -10.564 -0.265 1.00 0.22 C ATOM 1389 C ALA A 117 0.385 -11.348 -0.449 1.00 0.23 C ATOM 1390 O ALA A 117 0.154 -11.882 -1.531 1.00 0.26 O ATOM 1391 CB ALA A 117 1.391 -9.168 0.296 1.00 0.22 C ATOM 0 H ALA A 117 1.763 -10.192 -2.329 1.00 0.21 H new ATOM 0 HA ALA A 117 2.321 -11.070 0.455 1.00 0.22 H new ATOM 0 HB1 ALA A 117 0.883 -9.259 1.256 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.329 -8.630 0.432 1.00 0.22 H new ATOM 0 HB3 ALA A 117 0.756 -8.620 -0.400 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.456 -11.494 0.589 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.841 -11.913 0.386 1.00 0.25 C ATOM 1399 C PRO A 118 -2.520 -10.996 -0.627 1.00 0.22 C ATOM 1400 O PRO A 118 -2.261 -9.797 -0.654 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.470 -11.744 1.764 1.00 0.28 C ATOM 1402 CG PRO A 118 -1.334 -11.892 2.720 1.00 0.32 C ATOM 1403 CD PRO A 118 -0.124 -11.336 2.020 1.00 0.29 C ATOM 0 HA PRO A 118 -1.933 -12.928 0.001 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.948 -10.769 1.864 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -3.239 -12.496 1.943 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.531 -11.352 3.646 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -1.183 -12.938 2.987 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.047 -10.291 2.280 1.00 0.29 H new ATOM 0 HD3 PRO A 118 0.781 -11.883 2.286 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.369 -11.576 -1.466 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.981 -10.863 -2.598 1.00 0.32 C ATOM 1413 C ASP A 119 -4.683 -9.560 -2.208 1.00 0.31 C ATOM 1414 O ASP A 119 -4.860 -8.684 -3.057 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.972 -11.765 -3.332 1.00 0.41 C ATOM 1416 CG ASP A 119 -4.297 -12.922 -4.032 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -3.943 -13.907 -3.349 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -4.123 -12.854 -5.268 1.00 1.26 O ATOM 0 H ASP A 119 -3.657 -12.551 -1.388 1.00 0.28 H new ATOM 0 HA ASP A 119 -3.151 -10.594 -3.251 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -5.702 -12.151 -2.620 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -5.523 -11.174 -4.064 1.00 0.41 H new ATOM 1423 N PHE A 120 -5.083 -9.414 -0.948 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.714 -8.178 -0.510 1.00 0.32 C ATOM 1425 C PHE A 120 -4.641 -7.223 -0.038 1.00 0.22 C ATOM 1426 O PHE A 120 -4.677 -6.035 -0.318 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.738 -8.428 0.603 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.465 -7.182 1.047 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.798 -6.182 0.140 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.818 -7.016 2.377 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.462 -5.044 0.555 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.483 -5.880 2.795 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.804 -4.892 1.885 1.00 1.86 C ATOM 0 H PHE A 120 -4.983 -10.125 -0.224 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.256 -7.744 -1.350 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.467 -9.160 0.256 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.229 -8.867 1.461 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.534 -6.296 -0.901 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.570 -7.784 3.095 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.714 -4.274 -0.159 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.752 -5.764 3.834 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.321 -4.002 2.212 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.669 -7.785 0.646 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.590 -7.038 1.248 1.00 0.17 C ATOM 1445 C VAL A 121 -1.649 -6.492 0.199 1.00 0.15 C ATOM 1446 O VAL A 121 -1.197 -5.351 0.294 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.830 -7.951 2.206 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.652 -7.230 2.837 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.806 -8.466 3.240 1.00 0.22 C ATOM 0 H VAL A 121 -3.606 -8.791 0.801 1.00 0.19 H new ATOM 0 HA VAL A 121 -3.009 -6.191 1.791 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.406 -8.795 1.662 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.131 -7.907 3.514 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.033 -6.900 2.056 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.011 -6.365 3.394 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.285 -9.122 3.937 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.236 -7.626 3.785 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.602 -9.022 2.744 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.352 -7.316 -0.794 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.550 -6.870 -1.899 1.00 0.19 C ATOM 1461 C GLY A 122 -1.163 -5.669 -2.564 1.00 0.16 C ATOM 1462 O GLY A 122 -0.471 -4.712 -2.849 1.00 0.14 O ATOM 0 H GLY A 122 -1.656 -8.288 -0.849 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.452 -6.623 -1.549 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.444 -7.677 -2.624 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.472 -5.714 -2.794 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.175 -4.618 -3.450 1.00 0.19 C ATOM 1468 C ASP A 123 -3.391 -3.470 -2.478 1.00 0.13 C ATOM 1469 O ASP A 123 -3.388 -2.322 -2.875 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.506 -5.084 -4.041 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.274 -3.966 -4.717 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -4.969 -3.646 -5.883 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.215 -3.430 -4.098 1.00 1.07 O ATOM 0 H ASP A 123 -3.068 -6.500 -2.535 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.554 -4.265 -4.273 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.319 -5.878 -4.764 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.120 -5.512 -3.249 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.618 -3.789 -1.208 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.602 -2.780 -0.152 1.00 0.10 C ATOM 1480 C ILE A 124 -2.331 -1.948 -0.237 1.00 0.09 C ATOM 1481 O ILE A 124 -2.370 -0.722 -0.394 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.721 -3.436 1.247 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.189 -3.656 1.601 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.033 -2.596 2.323 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.392 -4.402 2.903 1.00 0.22 C ATOM 0 H ILE A 124 -3.815 -4.736 -0.884 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.463 -2.127 -0.295 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.215 -4.400 1.208 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.688 -2.689 1.664 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.670 -4.211 0.795 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.137 -3.088 3.290 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -1.975 -2.491 2.082 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.495 -1.610 2.365 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.459 -4.522 3.091 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -4.922 -5.383 2.837 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -4.941 -3.838 3.720 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.209 -2.626 -0.135 1.00 0.08 N ATOM 1498 CA LEU A 125 0.074 -1.998 -0.285 1.00 0.08 C ATOM 1499 C LEU A 125 0.251 -1.432 -1.681 1.00 0.09 C ATOM 1500 O LEU A 125 0.725 -0.317 -1.830 1.00 0.10 O ATOM 1501 CB LEU A 125 1.161 -3.002 0.058 1.00 0.08 C ATOM 1502 CG LEU A 125 1.547 -3.000 1.523 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.478 -4.156 1.831 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.195 -1.673 1.867 1.00 0.09 C ATOM 0 H LEU A 125 -1.166 -3.627 0.054 1.00 0.08 H new ATOM 0 HA LEU A 125 0.145 -1.154 0.402 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.822 -4.000 -0.219 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.045 -2.787 -0.542 1.00 0.08 H new ATOM 0 HG LEU A 125 0.653 -3.126 2.133 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.744 -4.137 2.888 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.979 -5.097 1.599 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.382 -4.066 1.228 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.475 -1.667 2.921 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.086 -1.533 1.254 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.491 -0.863 1.674 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.179 -2.172 -2.691 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.049 -1.720 -4.067 1.00 0.10 C ATOM 1518 C TRP A 126 -0.833 -0.431 -4.282 1.00 0.11 C ATOM 1519 O TRP A 126 -0.379 0.456 -4.999 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.507 -2.783 -5.070 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.534 -2.256 -6.466 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.638 -1.973 -7.207 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.596 -1.906 -7.265 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.260 -1.445 -8.422 1.00 0.25 N ATOM 1525 CE2 TRP A 126 0.110 -1.399 -8.480 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.975 -1.966 -7.066 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.958 -0.952 -9.490 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.814 -1.527 -8.069 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.303 -1.022 -9.268 1.00 0.25 C ATOM 0 H TRP A 126 -0.620 -3.086 -2.584 1.00 0.09 H new ATOM 0 HA TRP A 126 1.010 -1.533 -4.243 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.162 -3.642 -5.019 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.501 -3.136 -4.796 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.658 -2.137 -6.891 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -1.895 -1.138 -9.159 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.380 -2.350 -6.141 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.565 -0.563 -10.418 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.883 -1.574 -7.926 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.985 -0.681 -10.033 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.005 -0.328 -3.667 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.758 0.910 -3.696 1.00 0.12 C ATOM 1542 C GLU A 127 -1.906 2.031 -3.166 1.00 0.12 C ATOM 1543 O GLU A 127 -1.628 2.967 -3.883 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.058 0.821 -2.901 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.284 0.613 -3.776 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.614 1.809 -4.652 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -4.837 2.106 -5.582 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -6.662 2.451 -4.420 1.00 1.43 O ATOM 0 H GLU A 127 -2.449 -1.085 -3.146 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.030 1.104 -4.733 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -3.985 -0.001 -2.189 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.185 1.735 -2.321 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.124 -0.259 -4.410 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.141 0.391 -3.140 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.448 1.933 -1.925 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.610 2.993 -1.387 1.00 0.11 C ATOM 1557 C HIS A 128 0.641 3.158 -2.224 1.00 0.10 C ATOM 1558 O HIS A 128 1.141 4.263 -2.341 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.222 2.765 0.072 1.00 0.11 C ATOM 1560 CG HIS A 128 0.251 4.028 0.747 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.798 4.055 2.013 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.228 5.318 0.324 1.00 0.14 C ATOM 1563 CE1 HIS A 128 1.085 5.307 2.341 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.748 6.091 1.335 1.00 0.15 N ATOM 0 H HIS A 128 -1.635 1.157 -1.290 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.207 3.904 -1.426 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.079 2.366 0.615 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.565 2.013 0.122 1.00 0.11 H new ATOM 0 HD2 HIS A 128 -0.132 5.672 -0.631 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.521 5.631 3.274 1.00 0.15 H new ATOM 0 HE2 HIS A 128 0.856 7.105 1.311 1.00 0.15 H new ATOM 1573 N LEU A 129 1.138 2.074 -2.801 1.00 0.10 N ATOM 1574 CA LEU A 129 2.263 2.150 -3.708 1.00 0.12 C ATOM 1575 C LEU A 129 1.908 3.090 -4.828 1.00 0.15 C ATOM 1576 O LEU A 129 2.653 4.020 -5.148 1.00 0.18 O ATOM 1577 CB LEU A 129 2.604 0.758 -4.261 1.00 0.11 C ATOM 1578 CG LEU A 129 3.833 0.695 -5.162 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.860 1.703 -4.699 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.444 -0.689 -5.126 1.00 0.13 C ATOM 0 H LEU A 129 0.776 1.132 -2.654 1.00 0.10 H new ATOM 0 HA LEU A 129 3.141 2.520 -3.178 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.755 0.079 -3.422 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.745 0.387 -4.820 1.00 0.11 H new ATOM 0 HG LEU A 129 3.526 0.924 -6.182 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.736 1.654 -5.346 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.432 2.705 -4.743 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.154 1.479 -3.674 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.320 -0.717 -5.774 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.740 -0.929 -4.105 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.712 -1.419 -5.473 1.00 0.13 H new ATOM 1592 N GLU A 130 0.736 2.866 -5.379 1.00 0.17 N ATOM 1593 CA GLU A 130 0.255 3.672 -6.455 1.00 0.23 C ATOM 1594 C GLU A 130 -0.084 5.073 -5.948 1.00 0.25 C ATOM 1595 O GLU A 130 0.130 6.061 -6.633 1.00 0.37 O ATOM 1596 CB GLU A 130 -0.970 3.018 -7.113 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.288 3.581 -8.488 1.00 0.69 C ATOM 1598 CD GLU A 130 -2.604 3.080 -9.044 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -2.663 1.916 -9.494 1.00 1.80 O ATOM 1600 OE2 GLU A 130 -3.583 3.854 -9.051 1.00 1.73 O ATOM 0 H GLU A 130 0.100 2.123 -5.089 1.00 0.17 H new ATOM 0 HA GLU A 130 1.038 3.756 -7.209 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -0.798 1.945 -7.199 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.836 3.151 -6.465 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -1.315 4.669 -8.431 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -0.485 3.317 -9.177 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.615 5.140 -4.737 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.958 6.402 -4.097 1.00 0.21 C ATOM 1609 C ILE A 131 0.286 7.289 -3.867 1.00 0.22 C ATOM 1610 O ILE A 131 0.259 8.484 -4.154 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.718 6.166 -2.765 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.236 5.999 -2.990 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.497 7.324 -1.801 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.641 4.959 -4.013 1.00 0.23 C ATOM 0 H ILE A 131 -0.821 4.319 -4.168 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.620 6.936 -4.779 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.319 5.245 -2.340 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.699 5.743 -2.037 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.647 6.961 -3.296 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -2.040 7.135 -0.875 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.433 7.420 -1.585 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.860 8.247 -2.252 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.728 4.927 -4.089 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.217 5.218 -4.983 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.270 3.982 -3.704 1.00 0.23 H new ATOM 1626 N LEU A 132 1.377 6.712 -3.359 1.00 0.18 N ATOM 1627 CA LEU A 132 2.607 7.483 -3.144 1.00 0.20 C ATOM 1628 C LEU A 132 3.035 8.138 -4.443 1.00 0.25 C ATOM 1629 O LEU A 132 3.536 9.263 -4.464 1.00 0.29 O ATOM 1630 CB LEU A 132 3.759 6.605 -2.665 1.00 0.21 C ATOM 1631 CG LEU A 132 3.455 5.660 -1.518 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.151 4.349 -1.791 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.915 6.235 -0.183 1.00 0.25 C ATOM 0 H LEU A 132 1.437 5.729 -3.092 1.00 0.18 H new ATOM 0 HA LEU A 132 2.386 8.226 -2.378 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.112 6.014 -3.510 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.581 7.254 -2.364 1.00 0.21 H new ATOM 0 HG LEU A 132 2.377 5.513 -1.449 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.947 3.652 -0.978 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.784 3.931 -2.728 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.226 4.516 -1.864 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.681 5.531 0.616 1.00 0.25 H new ATOM 0 HD22 LEU A 132 4.991 6.407 -0.212 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.402 7.179 0.003 1.00 0.25 H new ATOM 1645 N GLN A 133 2.801 7.421 -5.527 1.00 0.28 N ATOM 1646 CA GLN A 133 3.224 7.876 -6.828 1.00 0.38 C ATOM 1647 C GLN A 133 2.132 8.733 -7.453 1.00 0.37 C ATOM 1648 O GLN A 133 2.422 9.575 -8.299 1.00 0.47 O ATOM 1649 CB GLN A 133 3.603 6.687 -7.725 1.00 0.58 C ATOM 1650 CG GLN A 133 2.453 6.079 -8.508 1.00 0.79 C ATOM 1651 CD GLN A 133 2.641 4.596 -8.768 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.209 3.892 -7.796 1.00 1.22 O flip ATOM 1653 NE2 GLN A 133 2.243 4.080 -9.811 1.00 0.31 N flip ATOM 0 H GLN A 133 2.320 6.522 -5.527 1.00 0.28 H new ATOM 0 HA GLN A 133 4.117 8.491 -6.721 1.00 0.38 H new ATOM 0 HB2 GLN A 133 4.369 7.012 -8.429 1.00 0.58 H new ATOM 0 HB3 GLN A 133 4.050 5.911 -7.104 1.00 0.58 H new ATOM 0 HG2 GLN A 133 1.524 6.233 -7.959 1.00 0.79 H new ATOM 0 HG3 GLN A 133 2.351 6.600 -9.460 1.00 0.79 H new ATOM 0 HE21 GLN A 133 1.812 4.657 -10.533 1.00 0.31 H new ATOM 0 HE22 GLN A 133 2.344 3.075 -9.954 1.00 0.31 H new