USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=23 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 73 THR OG1 : rot 180:sc= 0.0336 USER MOD Set 1.2: A 76 HIS : no HD1:sc= -1.02 X(o=-0.99,f=-1.3) USER MOD Set 2.1: A 57 THR OG1 : rot 88:sc= 0.699 USER MOD Set 2.2: A 128 HIS : no HD1:sc= -4.51! X(o=-3.8!,f=-3.9) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -157:sc= -8.75! (180deg=-10.3!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.647 F(o=-1.4!,f=-0.65) USER MOD Single : A 50 LYS NZ :NH3+ -124:sc= -0.0537 (180deg=-0.367) USER MOD Single : A 52 THR OG1 : rot -27:sc= 0.117 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -137:sc= -0.703 (180deg=-2.78!) USER MOD Single : A 60 GLN : amide:sc= -3.49! C(o=-3.5!,f=-6.5!) USER MOD Single : A 61 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.047) USER MOD Single : A 67 LYS NZ :NH3+ -132:sc= -0.679 (180deg=-2.72!) USER MOD Single : A 71 GLN :FLIP amide:sc= -10.8! C(o=-13!,f=-11!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -173:sc= -0.574 (180deg=-0.944) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.35 F(o=-2.2!,f=-1.4) USER MOD Single : A 89 SER OG : rot 13:sc= 1.11 USER MOD Single : A 91 LYS NZ :NH3+ -128:sc= -0.248 (180deg=-0.93) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.607 F(o=-1.5,f=-0.61) USER MOD Single : A 97 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0109) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -109:sc= -1.26 (180deg=-2.98!) USER MOD Single : A 101 SER OG : rot -70:sc= 1.21 USER MOD Single : A 106 CYS SG : rot -170:sc= -0.333 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 116:sc= -0.0181 USER MOD Single : A 133 GLN : amide:sc= -1.33! C(o=-1.3!,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -13.416 -1.591 1.900 1.00 0.41 N ATOM 224 CA MET A 44 -12.868 -1.410 3.232 1.00 0.41 C ATOM 225 C MET A 44 -11.596 -0.581 3.159 1.00 0.31 C ATOM 226 O MET A 44 -11.416 0.344 3.933 1.00 0.28 O ATOM 227 CB MET A 44 -12.583 -2.759 3.896 1.00 0.50 C ATOM 228 CG MET A 44 -13.777 -3.702 3.877 1.00 0.82 C ATOM 229 SD MET A 44 -15.309 -2.920 4.415 1.00 1.59 S ATOM 230 CE MET A 44 -16.512 -4.147 3.900 1.00 1.62 C ATOM 0 HA MET A 44 -13.605 -0.884 3.839 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.744 -3.236 3.389 1.00 0.50 H new ATOM 0 HB3 MET A 44 -12.278 -2.591 4.929 1.00 0.50 H new ATOM 0 HG2 MET A 44 -13.910 -4.089 2.867 1.00 0.82 H new ATOM 0 HG3 MET A 44 -13.567 -4.556 4.521 1.00 0.82 H new ATOM 0 HE1 MET A 44 -17.514 -3.808 4.164 1.00 1.62 H new ATOM 0 HE2 MET A 44 -16.449 -4.288 2.821 1.00 1.62 H new ATOM 0 HE3 MET A 44 -16.305 -5.092 4.402 1.00 1.62 H new ATOM 240 N MET A 45 -10.712 -0.911 2.226 1.00 0.28 N ATOM 241 CA MET A 45 -9.510 -0.107 2.018 1.00 0.22 C ATOM 242 C MET A 45 -9.864 1.253 1.423 1.00 0.20 C ATOM 243 O MET A 45 -9.151 2.228 1.626 1.00 0.20 O ATOM 244 CB MET A 45 -8.505 -0.823 1.114 1.00 0.24 C ATOM 245 CG MET A 45 -8.961 -0.941 -0.329 1.00 0.32 C ATOM 246 SD MET A 45 -8.107 -2.230 -1.250 1.00 0.98 S ATOM 247 CE MET A 45 -6.427 -1.632 -1.186 1.00 0.22 C ATOM 0 H MET A 45 -10.800 -1.718 1.608 1.00 0.28 H new ATOM 0 HA MET A 45 -9.047 0.041 2.994 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.556 -0.287 1.144 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.320 -1.821 1.510 1.00 0.24 H new ATOM 0 HG2 MET A 45 -10.032 -1.141 -0.348 1.00 0.32 H new ATOM 0 HG3 MET A 45 -8.807 0.015 -0.830 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.858 -2.057 -2.013 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.425 -0.545 -1.264 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.971 -1.929 -0.242 1.00 0.22 H new ATOM 257 N SER A 46 -10.952 1.317 0.674 1.00 0.24 N ATOM 258 CA SER A 46 -11.418 2.583 0.138 1.00 0.30 C ATOM 259 C SER A 46 -11.666 3.573 1.273 1.00 0.27 C ATOM 260 O SER A 46 -11.247 4.729 1.202 1.00 0.30 O ATOM 261 CB SER A 46 -12.679 2.373 -0.703 1.00 0.39 C ATOM 262 OG SER A 46 -13.090 3.584 -1.321 1.00 0.53 O ATOM 0 H SER A 46 -11.526 0.511 0.425 1.00 0.24 H new ATOM 0 HA SER A 46 -10.649 3.000 -0.513 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.489 1.618 -1.466 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.482 1.993 -0.071 1.00 0.39 H new ATOM 0 HG SER A 46 -13.897 3.422 -1.854 1.00 0.53 H new ATOM 268 N GLN A 47 -12.347 3.122 2.318 1.00 0.25 N ATOM 269 CA GLN A 47 -12.505 3.935 3.512 1.00 0.27 C ATOM 270 C GLN A 47 -11.222 3.950 4.358 1.00 0.24 C ATOM 271 O GLN A 47 -10.715 5.013 4.702 1.00 0.29 O ATOM 272 CB GLN A 47 -13.721 3.484 4.341 1.00 0.30 C ATOM 273 CG GLN A 47 -13.777 1.990 4.624 1.00 0.33 C ATOM 274 CD GLN A 47 -14.977 1.591 5.458 1.00 0.43 C ATOM 275 OE1 GLN A 47 -15.461 0.375 5.262 1.00 1.10 O flip ATOM 276 NE2 GLN A 47 -15.464 2.367 6.277 1.00 1.11 N flip ATOM 0 H GLN A 47 -12.794 2.206 2.362 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.692 4.959 3.187 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.716 4.020 5.290 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.630 3.775 3.815 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.801 1.447 3.679 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.866 1.689 5.141 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -15.063 3.297 6.400 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -16.269 2.081 6.834 1.00 1.11 H new ATOM 285 N ALA A 48 -10.688 2.769 4.675 1.00 0.21 N ATOM 286 CA ALA A 48 -9.554 2.659 5.595 1.00 0.22 C ATOM 287 C ALA A 48 -8.251 3.199 5.011 1.00 0.20 C ATOM 288 O ALA A 48 -7.636 4.081 5.602 1.00 0.22 O ATOM 289 CB ALA A 48 -9.355 1.215 6.030 1.00 0.24 C ATOM 0 H ALA A 48 -11.021 1.877 4.309 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.804 3.278 6.457 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.508 1.154 6.713 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.254 0.860 6.534 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.161 0.595 5.155 1.00 0.24 H new ATOM 295 N LEU A 49 -7.846 2.700 3.845 1.00 0.18 N ATOM 296 CA LEU A 49 -6.543 3.035 3.273 1.00 0.18 C ATOM 297 C LEU A 49 -6.516 4.448 2.756 1.00 0.19 C ATOM 298 O LEU A 49 -5.670 5.248 3.142 1.00 0.21 O ATOM 299 CB LEU A 49 -6.205 2.120 2.097 1.00 0.23 C ATOM 300 CG LEU A 49 -5.182 1.033 2.370 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.833 0.350 1.067 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.936 1.595 3.047 1.00 0.58 C ATOM 0 H LEU A 49 -8.402 2.061 3.277 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.817 2.912 4.077 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.125 1.647 1.755 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.839 2.737 1.276 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.612 0.305 3.058 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -4.098 -0.433 1.252 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.732 -0.090 0.635 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.417 1.081 0.373 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.225 0.789 3.227 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.478 2.345 2.402 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.213 2.054 3.996 1.00 0.58 H new ATOM 314 N LYS A 50 -7.439 4.737 1.861 1.00 0.19 N ATOM 315 CA LYS A 50 -7.418 5.983 1.128 1.00 0.21 C ATOM 316 C LYS A 50 -7.499 7.179 2.080 1.00 0.23 C ATOM 317 O LYS A 50 -6.977 8.259 1.796 1.00 0.27 O ATOM 318 CB LYS A 50 -8.543 5.990 0.092 1.00 0.22 C ATOM 319 CG LYS A 50 -8.636 4.681 -0.696 1.00 0.20 C ATOM 320 CD LYS A 50 -7.355 4.366 -1.473 1.00 0.21 C ATOM 321 CE LYS A 50 -7.206 5.257 -2.696 1.00 0.24 C ATOM 322 NZ LYS A 50 -8.281 5.012 -3.701 1.00 0.55 N ATOM 0 H LYS A 50 -8.217 4.121 1.624 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.471 6.073 0.596 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.492 6.173 0.595 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.386 6.816 -0.602 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.850 3.862 -0.009 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.473 4.739 -1.392 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.492 4.497 -0.820 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.365 3.321 -1.783 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.229 6.302 -2.388 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.233 5.082 -3.156 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.851 4.772 -4.617 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -8.881 4.224 -3.383 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.861 5.869 -3.805 1.00 0.55 H new ATOM 336 N ALA A 51 -8.149 6.967 3.216 1.00 0.22 N ATOM 337 CA ALA A 51 -8.195 7.963 4.278 1.00 0.23 C ATOM 338 C ALA A 51 -6.901 7.976 5.095 1.00 0.23 C ATOM 339 O ALA A 51 -6.369 9.037 5.416 1.00 0.26 O ATOM 340 CB ALA A 51 -9.386 7.718 5.185 1.00 0.25 C ATOM 0 H ALA A 51 -8.656 6.107 3.427 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.302 8.940 3.808 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.405 8.471 5.973 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.305 7.779 4.603 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.305 6.727 5.632 1.00 0.25 H new ATOM 346 N THR A 52 -6.382 6.788 5.409 1.00 0.21 N ATOM 347 CA THR A 52 -5.298 6.653 6.379 1.00 0.22 C ATOM 348 C THR A 52 -3.948 7.095 5.823 1.00 0.21 C ATOM 349 O THR A 52 -2.990 7.255 6.579 1.00 0.23 O ATOM 350 CB THR A 52 -5.177 5.191 6.879 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.373 5.139 8.066 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.569 4.286 5.809 1.00 0.18 C ATOM 0 H THR A 52 -6.696 5.906 5.005 1.00 0.21 H new ATOM 0 HA THR A 52 -5.558 7.312 7.208 1.00 0.22 H new ATOM 0 HB THR A 52 -6.182 4.832 7.102 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.742 5.889 8.067 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.498 3.268 6.191 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.201 4.297 4.921 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.574 4.647 5.550 1.00 0.18 H new ATOM 360 N PHE A 53 -3.883 7.318 4.514 1.00 0.23 N ATOM 361 CA PHE A 53 -2.610 7.535 3.828 1.00 0.27 C ATOM 362 C PHE A 53 -1.762 8.626 4.465 1.00 0.32 C ATOM 363 O PHE A 53 -0.534 8.523 4.486 1.00 0.34 O ATOM 364 CB PHE A 53 -2.828 7.862 2.353 1.00 0.31 C ATOM 365 CG PHE A 53 -3.290 6.693 1.549 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.773 5.437 1.781 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.253 6.849 0.570 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.206 4.356 1.048 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.691 5.769 -0.166 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.130 4.526 0.043 1.00 0.38 C ATOM 0 H PHE A 53 -4.699 7.354 3.904 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.063 6.597 3.922 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.562 8.663 2.271 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.897 8.239 1.930 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.022 5.300 2.545 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.667 7.828 0.380 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.819 3.371 1.262 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.470 5.895 -0.903 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.415 3.691 -0.579 1.00 0.38 H new ATOM 380 N SER A 54 -2.413 9.642 5.013 1.00 0.36 N ATOM 381 CA SER A 54 -1.713 10.770 5.604 1.00 0.44 C ATOM 382 C SER A 54 -0.846 10.322 6.786 1.00 0.39 C ATOM 383 O SER A 54 0.072 11.028 7.196 1.00 0.46 O ATOM 384 CB SER A 54 -2.726 11.827 6.042 1.00 0.55 C ATOM 385 OG SER A 54 -3.531 12.233 4.943 1.00 1.37 O ATOM 0 H SER A 54 -3.430 9.707 5.060 1.00 0.36 H new ATOM 0 HA SER A 54 -1.048 11.203 4.856 1.00 0.44 H new ATOM 0 HB2 SER A 54 -3.358 11.427 6.835 1.00 0.55 H new ATOM 0 HB3 SER A 54 -2.204 12.690 6.456 1.00 0.55 H new ATOM 0 HG SER A 54 -4.175 12.909 5.241 1.00 1.37 H new ATOM 391 N GLY A 55 -1.147 9.140 7.324 1.00 0.31 N ATOM 392 CA GLY A 55 -0.348 8.566 8.386 1.00 0.28 C ATOM 393 C GLY A 55 1.114 8.405 8.010 1.00 0.22 C ATOM 394 O GLY A 55 1.981 9.068 8.579 1.00 0.25 O ATOM 0 H GLY A 55 -1.940 8.568 7.036 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.422 9.198 9.271 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.757 7.592 8.655 1.00 0.28 H new ATOM 398 N PHE A 56 1.394 7.544 7.037 1.00 0.15 N ATOM 399 CA PHE A 56 2.773 7.287 6.648 1.00 0.12 C ATOM 400 C PHE A 56 3.280 8.380 5.737 1.00 0.13 C ATOM 401 O PHE A 56 4.384 8.852 5.910 1.00 0.17 O ATOM 402 CB PHE A 56 2.932 5.942 5.944 1.00 0.13 C ATOM 403 CG PHE A 56 4.365 5.605 5.642 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.181 5.057 6.618 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.897 5.852 4.389 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.502 4.762 6.347 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.216 5.559 4.113 1.00 0.26 C ATOM 408 CZ PHE A 56 7.021 5.015 5.093 1.00 0.28 C ATOM 0 H PHE A 56 0.695 7.020 6.511 1.00 0.15 H new ATOM 0 HA PHE A 56 3.358 7.265 7.567 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.504 5.158 6.569 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.363 5.955 5.014 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.780 4.859 7.601 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.272 6.279 3.618 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.129 4.334 7.115 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.619 5.755 3.130 1.00 0.26 H new ATOM 0 HZ PHE A 56 8.055 4.788 4.879 1.00 0.28 H new ATOM 418 N THR A 57 2.456 8.783 4.788 1.00 0.16 N ATOM 419 CA THR A 57 2.845 9.802 3.811 1.00 0.24 C ATOM 420 C THR A 57 3.386 11.069 4.498 1.00 0.26 C ATOM 421 O THR A 57 4.300 11.720 3.985 1.00 0.35 O ATOM 422 CB THR A 57 1.661 10.186 2.907 1.00 0.32 C ATOM 423 OG1 THR A 57 1.148 9.025 2.230 1.00 0.39 O ATOM 424 CG2 THR A 57 2.071 11.227 1.875 1.00 0.46 C ATOM 0 H THR A 57 1.509 8.424 4.667 1.00 0.16 H new ATOM 0 HA THR A 57 3.637 9.366 3.202 1.00 0.24 H new ATOM 0 HB THR A 57 0.885 10.610 3.545 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.471 8.592 2.791 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.213 11.478 1.251 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.425 12.124 2.384 1.00 0.46 H new ATOM 0 HG23 THR A 57 2.869 10.825 1.250 1.00 0.46 H new ATOM 432 N LYS A 58 2.859 11.388 5.680 1.00 0.24 N ATOM 433 CA LYS A 58 3.279 12.600 6.381 1.00 0.31 C ATOM 434 C LYS A 58 4.591 12.352 7.122 1.00 0.29 C ATOM 435 O LYS A 58 5.449 13.234 7.205 1.00 0.31 O ATOM 436 CB LYS A 58 2.209 13.103 7.351 1.00 0.39 C ATOM 437 CG LYS A 58 2.579 14.422 8.022 1.00 0.50 C ATOM 438 CD LYS A 58 1.410 15.044 8.783 1.00 1.34 C ATOM 439 CE LYS A 58 1.116 14.339 10.104 1.00 1.93 C ATOM 440 NZ LYS A 58 0.470 13.015 9.917 1.00 2.52 N ATOM 0 H LYS A 58 2.153 10.835 6.165 1.00 0.24 H new ATOM 0 HA LYS A 58 3.429 13.377 5.631 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.269 13.228 6.813 1.00 0.39 H new ATOM 0 HB3 LYS A 58 2.039 12.348 8.118 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.408 14.255 8.710 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.930 15.124 7.265 1.00 0.50 H new ATOM 0 HD2 LYS A 58 1.628 16.094 8.979 1.00 1.34 H new ATOM 0 HD3 LYS A 58 0.519 15.015 8.156 1.00 1.34 H new ATOM 0 HE2 LYS A 58 2.047 14.210 10.657 1.00 1.93 H new ATOM 0 HE3 LYS A 58 0.469 14.971 10.712 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 -0.302 12.905 10.605 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 0.086 12.949 8.953 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 1.173 12.262 10.062 1.00 2.52 H new ATOM 454 N GLU A 59 4.753 11.137 7.643 1.00 0.26 N ATOM 455 CA GLU A 59 5.958 10.792 8.386 1.00 0.25 C ATOM 456 C GLU A 59 7.054 10.410 7.406 1.00 0.21 C ATOM 457 O GLU A 59 8.235 10.531 7.698 1.00 0.24 O ATOM 458 CB GLU A 59 5.712 9.646 9.382 1.00 0.31 C ATOM 459 CG GLU A 59 6.480 8.381 9.052 1.00 0.43 C ATOM 460 CD GLU A 59 6.492 7.388 10.199 1.00 0.76 C ATOM 461 OE1 GLU A 59 5.466 6.709 10.419 1.00 0.97 O ATOM 462 OE2 GLU A 59 7.516 7.294 10.900 1.00 0.98 O ATOM 0 H GLU A 59 4.071 10.383 7.564 1.00 0.26 H new ATOM 0 HA GLU A 59 6.262 11.662 8.967 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.989 9.979 10.382 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.646 9.419 9.406 1.00 0.31 H new ATOM 0 HG2 GLU A 59 6.037 7.911 8.174 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.506 8.641 8.791 1.00 0.43 H new ATOM 469 N GLN A 60 6.635 9.941 6.245 1.00 0.19 N ATOM 470 CA GLN A 60 7.528 9.623 5.152 1.00 0.19 C ATOM 471 C GLN A 60 8.371 10.840 4.845 1.00 0.22 C ATOM 472 O GLN A 60 9.589 10.780 4.819 1.00 0.23 O ATOM 473 CB GLN A 60 6.693 9.240 3.935 1.00 0.21 C ATOM 474 CG GLN A 60 7.451 8.525 2.840 1.00 0.28 C ATOM 475 CD GLN A 60 6.534 8.119 1.709 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.347 7.870 1.917 1.00 0.90 O ATOM 477 NE2 GLN A 60 7.069 8.052 0.509 1.00 0.26 N ATOM 0 H GLN A 60 5.652 9.769 6.035 1.00 0.19 H new ATOM 0 HA GLN A 60 8.181 8.791 5.416 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.871 8.603 4.263 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.249 10.144 3.518 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.238 9.174 2.457 1.00 0.28 H new ATOM 0 HG3 GLN A 60 7.938 7.641 3.251 1.00 0.28 H new ATOM 0 HE21 GLN A 60 8.058 8.266 0.379 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.495 7.786 -0.291 1.00 0.26 H new ATOM 486 N GLN A 61 7.691 11.956 4.671 1.00 0.28 N ATOM 487 CA GLN A 61 8.349 13.232 4.437 1.00 0.34 C ATOM 488 C GLN A 61 9.222 13.602 5.636 1.00 0.34 C ATOM 489 O GLN A 61 10.323 14.129 5.489 1.00 0.37 O ATOM 490 CB GLN A 61 7.297 14.310 4.217 1.00 0.45 C ATOM 491 CG GLN A 61 6.364 14.020 3.049 1.00 0.58 C ATOM 492 CD GLN A 61 7.105 13.817 1.739 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.323 14.757 0.983 1.00 1.23 O ATOM 494 NE2 GLN A 61 7.497 12.583 1.463 1.00 1.12 N ATOM 0 H GLN A 61 6.672 12.007 4.687 1.00 0.28 H new ATOM 0 HA GLN A 61 8.981 13.151 3.553 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.705 14.420 5.126 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.796 15.264 4.045 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.778 13.128 3.271 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.660 14.845 2.939 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.297 11.826 2.117 1.00 1.12 H new ATOM 0 HE22 GLN A 61 7.999 12.389 0.596 1.00 1.12 H new ATOM 503 N ARG A 62 8.712 13.292 6.824 1.00 0.34 N ATOM 504 CA ARG A 62 9.392 13.589 8.083 1.00 0.39 C ATOM 505 C ARG A 62 10.691 12.795 8.212 1.00 0.36 C ATOM 506 O ARG A 62 11.723 13.328 8.624 1.00 0.41 O ATOM 507 CB ARG A 62 8.459 13.254 9.243 1.00 0.44 C ATOM 508 CG ARG A 62 9.003 13.581 10.629 1.00 0.58 C ATOM 509 CD ARG A 62 9.284 15.067 10.808 1.00 1.13 C ATOM 510 NE ARG A 62 10.542 15.472 10.185 1.00 1.93 N ATOM 511 CZ ARG A 62 10.823 16.721 9.814 1.00 2.74 C ATOM 512 NH1 ARG A 62 9.901 17.670 9.920 1.00 2.99 N ATOM 513 NH2 ARG A 62 12.018 17.008 9.314 1.00 3.73 N ATOM 0 H ARG A 62 7.812 12.826 6.942 1.00 0.34 H new ATOM 0 HA ARG A 62 9.647 14.649 8.102 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.522 13.793 9.102 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.224 12.190 9.204 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.286 13.256 11.383 1.00 0.58 H new ATOM 0 HG3 ARG A 62 9.921 13.018 10.798 1.00 0.58 H new ATOM 0 HD2 ARG A 62 8.466 15.644 10.377 1.00 1.13 H new ATOM 0 HD3 ARG A 62 9.315 15.303 11.872 1.00 1.13 H new ATOM 0 HE ARG A 62 11.249 14.755 10.024 1.00 1.93 H new ATOM 0 HH11 ARG A 62 8.976 17.444 10.286 1.00 2.99 H new ATOM 0 HH12 ARG A 62 10.117 18.625 9.636 1.00 2.99 H new ATOM 0 HH21 ARG A 62 12.719 16.274 9.214 1.00 3.73 H new ATOM 0 HH22 ARG A 62 12.236 17.963 9.029 1.00 3.73 H new ATOM 527 N LEU A 63 10.625 11.519 7.858 1.00 0.30 N ATOM 528 CA LEU A 63 11.787 10.638 7.867 1.00 0.32 C ATOM 529 C LEU A 63 12.683 10.920 6.682 1.00 0.31 C ATOM 530 O LEU A 63 13.642 10.194 6.420 1.00 0.37 O ATOM 531 CB LEU A 63 11.340 9.179 7.860 1.00 0.33 C ATOM 532 CG LEU A 63 10.522 8.746 9.074 1.00 0.40 C ATOM 533 CD1 LEU A 63 10.043 7.314 8.905 1.00 1.01 C ATOM 534 CD2 LEU A 63 11.339 8.890 10.349 1.00 0.65 C ATOM 0 H LEU A 63 9.764 11.064 7.556 1.00 0.30 H new ATOM 0 HA LEU A 63 12.356 10.828 8.777 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.750 9.000 6.961 1.00 0.33 H new ATOM 0 HB3 LEU A 63 12.224 8.545 7.792 1.00 0.33 H new ATOM 0 HG LEU A 63 9.650 9.395 9.153 1.00 0.40 H new ATOM 0 HD11 LEU A 63 9.461 7.019 9.778 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.421 7.241 8.013 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.903 6.652 8.802 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.739 8.577 11.203 1.00 0.65 H new ATOM 0 HD22 LEU A 63 12.230 8.265 10.283 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.635 9.931 10.476 1.00 0.65 H new ATOM 546 N GLY A 64 12.358 11.984 5.969 1.00 0.28 N ATOM 547 CA GLY A 64 13.116 12.354 4.800 1.00 0.30 C ATOM 548 C GLY A 64 12.978 11.323 3.715 1.00 0.27 C ATOM 549 O GLY A 64 13.758 11.294 2.763 1.00 0.33 O ATOM 0 H GLY A 64 11.575 12.602 6.183 1.00 0.28 H new ATOM 0 HA2 GLY A 64 12.773 13.321 4.432 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.167 12.468 5.066 1.00 0.30 H new ATOM 553 N ILE A 65 11.975 10.469 3.857 1.00 0.22 N ATOM 554 CA ILE A 65 11.750 9.418 2.904 1.00 0.20 C ATOM 555 C ILE A 65 11.073 9.999 1.675 1.00 0.21 C ATOM 556 O ILE A 65 10.001 10.599 1.779 1.00 0.23 O ATOM 557 CB ILE A 65 10.874 8.266 3.453 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.501 7.638 4.695 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.674 7.202 2.377 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.733 6.434 5.212 1.00 0.20 C ATOM 0 H ILE A 65 11.308 10.492 4.629 1.00 0.22 H new ATOM 0 HA ILE A 65 12.726 8.996 2.666 1.00 0.20 H new ATOM 0 HB ILE A 65 9.907 8.683 3.734 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.523 7.337 4.465 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.560 8.389 5.483 1.00 0.20 H new ATOM 0 HG21 ILE A 65 10.056 6.396 2.773 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.180 7.647 1.513 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.642 6.803 2.076 1.00 0.19 H new ATOM 0 HD11 ILE A 65 11.232 6.036 6.095 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.718 6.734 5.473 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.697 5.666 4.439 1.00 0.20 H new ATOM 572 N PRO A 66 11.709 9.864 0.511 1.00 0.24 N ATOM 573 CA PRO A 66 11.138 10.289 -0.765 1.00 0.27 C ATOM 574 C PRO A 66 9.705 9.784 -0.931 1.00 0.22 C ATOM 575 O PRO A 66 9.425 8.622 -0.657 1.00 0.23 O ATOM 576 CB PRO A 66 12.058 9.628 -1.803 1.00 0.35 C ATOM 577 CG PRO A 66 13.001 8.754 -1.043 1.00 0.26 C ATOM 578 CD PRO A 66 13.050 9.301 0.346 1.00 0.31 C ATOM 0 HA PRO A 66 11.084 11.374 -0.857 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.479 9.043 -2.518 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.602 10.381 -2.374 1.00 0.35 H new ATOM 0 HG2 PRO A 66 12.658 7.720 -1.042 1.00 0.26 H new ATOM 0 HG3 PRO A 66 13.991 8.761 -1.499 1.00 0.26 H new ATOM 0 HD2 PRO A 66 13.257 8.524 1.081 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.825 10.059 0.457 1.00 0.31 H new ATOM 586 N LYS A 67 8.798 10.673 -1.346 1.00 0.25 N ATOM 587 CA LYS A 67 7.379 10.329 -1.489 1.00 0.27 C ATOM 588 C LYS A 67 7.159 9.291 -2.583 1.00 0.25 C ATOM 589 O LYS A 67 6.214 8.509 -2.521 1.00 0.36 O ATOM 590 CB LYS A 67 6.542 11.574 -1.791 1.00 0.43 C ATOM 591 CG LYS A 67 7.027 12.346 -3.005 1.00 1.04 C ATOM 592 CD LYS A 67 6.047 13.434 -3.437 1.00 1.15 C ATOM 593 CE LYS A 67 5.840 14.502 -2.368 1.00 1.67 C ATOM 594 NZ LYS A 67 4.893 14.075 -1.298 1.00 2.42 N ATOM 0 H LYS A 67 9.021 11.638 -1.589 1.00 0.25 H new ATOM 0 HA LYS A 67 7.058 9.902 -0.539 1.00 0.27 H new ATOM 0 HB2 LYS A 67 5.505 11.276 -1.949 1.00 0.43 H new ATOM 0 HB3 LYS A 67 6.556 12.232 -0.922 1.00 0.43 H new ATOM 0 HG2 LYS A 67 7.992 12.800 -2.781 1.00 1.04 H new ATOM 0 HG3 LYS A 67 7.184 11.654 -3.832 1.00 1.04 H new ATOM 0 HD2 LYS A 67 6.414 13.905 -4.349 1.00 1.15 H new ATOM 0 HD3 LYS A 67 5.087 12.977 -3.678 1.00 1.15 H new ATOM 0 HE2 LYS A 67 6.801 14.750 -1.918 1.00 1.67 H new ATOM 0 HE3 LYS A 67 5.464 15.411 -2.838 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 4.196 14.828 -1.131 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 4.402 13.208 -1.595 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 5.420 13.891 -0.421 1.00 2.42 H new ATOM 608 N ASP A 68 8.033 9.296 -3.575 1.00 0.28 N ATOM 609 CA ASP A 68 7.965 8.341 -4.666 1.00 0.28 C ATOM 610 C ASP A 68 8.486 7.007 -4.161 1.00 0.21 C ATOM 611 O ASP A 68 9.298 6.977 -3.250 1.00 0.23 O ATOM 612 CB ASP A 68 8.806 8.863 -5.835 1.00 0.39 C ATOM 613 CG ASP A 68 8.623 8.081 -7.112 1.00 1.12 C ATOM 614 OD1 ASP A 68 9.307 7.057 -7.288 1.00 1.88 O ATOM 615 OD2 ASP A 68 7.808 8.496 -7.960 1.00 1.65 O ATOM 0 H ASP A 68 8.805 9.958 -3.646 1.00 0.28 H new ATOM 0 HA ASP A 68 6.941 8.210 -5.016 1.00 0.28 H new ATOM 0 HB2 ASP A 68 8.549 9.906 -6.018 1.00 0.39 H new ATOM 0 HB3 ASP A 68 9.859 8.839 -5.553 1.00 0.39 H new ATOM 620 N PRO A 69 7.977 5.885 -4.666 1.00 0.19 N ATOM 621 CA PRO A 69 8.430 4.568 -4.244 1.00 0.20 C ATOM 622 C PRO A 69 9.430 3.905 -5.194 1.00 0.26 C ATOM 623 O PRO A 69 9.739 2.738 -5.023 1.00 0.65 O ATOM 624 CB PRO A 69 7.115 3.805 -4.248 1.00 0.40 C ATOM 625 CG PRO A 69 6.371 4.356 -5.422 1.00 0.37 C ATOM 626 CD PRO A 69 6.847 5.780 -5.606 1.00 0.22 C ATOM 0 HA PRO A 69 8.971 4.599 -3.298 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.278 2.732 -4.349 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.564 3.958 -3.320 1.00 0.40 H new ATOM 0 HG2 PRO A 69 6.565 3.764 -6.316 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.295 4.327 -5.248 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.159 5.970 -6.633 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.062 6.500 -5.373 1.00 0.22 H new ATOM 634 N ARG A 70 9.931 4.638 -6.187 1.00 0.20 N ATOM 635 CA ARG A 70 10.857 4.062 -7.178 1.00 0.26 C ATOM 636 C ARG A 70 12.325 4.338 -6.852 1.00 0.19 C ATOM 637 O ARG A 70 13.210 4.018 -7.642 1.00 0.27 O ATOM 638 CB ARG A 70 10.558 4.580 -8.588 1.00 0.46 C ATOM 639 CG ARG A 70 9.403 3.880 -9.283 1.00 0.96 C ATOM 640 CD ARG A 70 8.049 4.295 -8.728 1.00 0.87 C ATOM 641 NE ARG A 70 7.769 5.696 -9.016 1.00 1.06 N ATOM 642 CZ ARG A 70 7.181 6.141 -10.124 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.771 5.292 -11.060 1.00 1.89 N ATOM 644 NH2 ARG A 70 7.000 7.444 -10.285 1.00 1.79 N ATOM 0 H ARG A 70 9.717 5.625 -6.332 1.00 0.20 H new ATOM 0 HA ARG A 70 10.695 2.985 -7.137 1.00 0.26 H new ATOM 0 HB2 ARG A 70 10.339 5.646 -8.531 1.00 0.46 H new ATOM 0 HB3 ARG A 70 11.454 4.471 -9.199 1.00 0.46 H new ATOM 0 HG2 ARG A 70 9.438 4.101 -10.350 1.00 0.96 H new ATOM 0 HG3 ARG A 70 9.520 2.801 -9.177 1.00 0.96 H new ATOM 0 HD2 ARG A 70 7.268 3.669 -9.160 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.029 4.131 -7.651 1.00 0.87 H new ATOM 0 HE ARG A 70 8.044 6.386 -8.317 1.00 1.06 H new ATOM 0 HH11 ARG A 70 6.906 4.289 -10.933 1.00 1.89 H new ATOM 0 HH12 ARG A 70 6.321 5.643 -11.906 1.00 1.89 H new ATOM 0 HH21 ARG A 70 7.310 8.095 -9.564 1.00 1.79 H new ATOM 0 HH22 ARG A 70 6.550 7.796 -11.130 1.00 1.79 H new ATOM 658 N GLN A 71 12.582 4.919 -5.698 1.00 0.16 N ATOM 659 CA GLN A 71 13.953 5.250 -5.313 1.00 0.16 C ATOM 660 C GLN A 71 14.213 4.912 -3.844 1.00 0.15 C ATOM 661 O GLN A 71 15.191 5.359 -3.247 1.00 0.18 O ATOM 662 CB GLN A 71 14.239 6.739 -5.561 1.00 0.20 C ATOM 663 CG GLN A 71 13.714 7.641 -4.462 1.00 0.38 C ATOM 664 CD GLN A 71 12.215 7.558 -4.327 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.731 6.539 -3.620 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.498 8.373 -4.889 1.00 0.29 N flip ATOM 0 H GLN A 71 11.872 5.173 -5.011 1.00 0.16 H new ATOM 0 HA GLN A 71 14.622 4.650 -5.929 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.315 6.884 -5.658 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.791 7.035 -6.510 1.00 0.20 H new ATOM 0 HG2 GLN A 71 14.178 7.366 -3.515 1.00 0.38 H new ATOM 0 HG3 GLN A 71 14.002 8.671 -4.671 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.914 9.138 -5.420 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.483 8.288 -4.827 1.00 0.29 H new ATOM 675 N TRP A 72 13.343 4.100 -3.271 1.00 0.12 N ATOM 676 CA TRP A 72 13.412 3.770 -1.862 1.00 0.11 C ATOM 677 C TRP A 72 14.492 2.742 -1.582 1.00 0.12 C ATOM 678 O TRP A 72 14.980 2.074 -2.483 1.00 0.14 O ATOM 679 CB TRP A 72 12.070 3.165 -1.452 1.00 0.11 C ATOM 680 CG TRP A 72 11.035 4.147 -1.044 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.187 5.479 -0.818 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.670 3.845 -0.791 1.00 0.08 C ATOM 683 NE1 TRP A 72 9.986 6.023 -0.456 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.037 5.038 -0.431 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.923 2.675 -0.844 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.682 5.093 -0.123 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.585 2.729 -0.540 1.00 0.10 C ATOM 688 CH2 TRP A 72 6.976 3.928 -0.184 1.00 0.10 C ATOM 0 H TRP A 72 12.572 3.653 -3.768 1.00 0.12 H new ATOM 0 HA TRP A 72 13.642 4.678 -1.304 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.684 2.579 -2.286 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.238 2.473 -0.626 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.115 6.024 -0.910 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.824 7.006 -0.239 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.386 1.739 -1.119 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.207 6.023 0.154 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 6.995 1.825 -0.578 1.00 0.10 H new ATOM 0 HH2 TRP A 72 5.921 3.936 0.049 1.00 0.10 H new ATOM 699 N THR A 73 14.906 2.664 -0.335 1.00 0.14 N ATOM 700 CA THR A 73 15.756 1.583 0.107 1.00 0.15 C ATOM 701 C THR A 73 14.890 0.434 0.597 1.00 0.15 C ATOM 702 O THR A 73 13.674 0.605 0.748 1.00 0.16 O ATOM 703 CB THR A 73 16.676 2.049 1.251 1.00 0.18 C ATOM 704 OG1 THR A 73 15.876 2.536 2.339 1.00 0.19 O ATOM 705 CG2 THR A 73 17.614 3.152 0.784 1.00 0.21 C ATOM 0 H THR A 73 14.666 3.339 0.391 1.00 0.14 H new ATOM 0 HA THR A 73 16.374 1.258 -0.730 1.00 0.15 H new ATOM 0 HB THR A 73 17.276 1.199 1.577 1.00 0.18 H new ATOM 0 HG1 THR A 73 16.460 2.831 3.068 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.252 3.462 1.612 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.234 2.781 -0.033 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.029 4.004 0.438 1.00 0.21 H new ATOM 713 N GLU A 74 15.492 -0.719 0.847 1.00 0.17 N ATOM 714 CA GLU A 74 14.768 -1.850 1.420 1.00 0.20 C ATOM 715 C GLU A 74 14.081 -1.424 2.716 1.00 0.19 C ATOM 716 O GLU A 74 12.982 -1.880 3.037 1.00 0.28 O ATOM 717 CB GLU A 74 15.709 -3.030 1.698 1.00 0.29 C ATOM 718 CG GLU A 74 16.447 -3.549 0.469 1.00 1.25 C ATOM 719 CD GLU A 74 17.611 -2.667 0.059 1.00 1.79 C ATOM 720 OE1 GLU A 74 17.401 -1.723 -0.730 1.00 2.67 O ATOM 721 OE2 GLU A 74 18.741 -2.905 0.532 1.00 1.99 O ATOM 0 H GLU A 74 16.479 -0.899 0.663 1.00 0.17 H new ATOM 0 HA GLU A 74 14.019 -2.173 0.697 1.00 0.20 H new ATOM 0 HB2 GLU A 74 16.442 -2.726 2.446 1.00 0.29 H new ATOM 0 HB3 GLU A 74 15.131 -3.846 2.131 1.00 0.29 H new ATOM 0 HG2 GLU A 74 16.814 -4.555 0.671 1.00 1.25 H new ATOM 0 HG3 GLU A 74 15.747 -3.626 -0.363 1.00 1.25 H new ATOM 728 N THR A 75 14.724 -0.507 3.432 1.00 0.18 N ATOM 729 CA THR A 75 14.200 0.004 4.683 1.00 0.21 C ATOM 730 C THR A 75 12.950 0.848 4.441 1.00 0.17 C ATOM 731 O THR A 75 11.957 0.719 5.155 1.00 0.20 O ATOM 732 CB THR A 75 15.259 0.851 5.415 1.00 0.29 C ATOM 733 OG1 THR A 75 16.495 0.129 5.479 1.00 0.47 O ATOM 734 CG2 THR A 75 14.800 1.204 6.824 1.00 0.47 C ATOM 0 H THR A 75 15.619 -0.102 3.158 1.00 0.18 H new ATOM 0 HA THR A 75 13.937 -0.851 5.306 1.00 0.21 H new ATOM 0 HB THR A 75 15.401 1.777 4.858 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.167 0.671 5.943 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.566 1.802 7.317 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.872 1.774 6.772 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.632 0.289 7.392 1.00 0.47 H new ATOM 742 N HIS A 76 12.987 1.672 3.397 1.00 0.14 N ATOM 743 CA HIS A 76 11.893 2.598 3.113 1.00 0.12 C ATOM 744 C HIS A 76 10.683 1.847 2.574 1.00 0.10 C ATOM 745 O HIS A 76 9.544 2.128 2.951 1.00 0.10 O ATOM 746 CB HIS A 76 12.332 3.668 2.115 1.00 0.14 C ATOM 747 CG HIS A 76 13.326 4.643 2.667 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.190 5.369 1.875 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.575 5.026 3.942 1.00 0.16 C ATOM 750 CE1 HIS A 76 14.929 6.152 2.638 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.575 5.965 3.894 1.00 0.19 N ATOM 0 H HIS A 76 13.761 1.718 2.734 1.00 0.14 H new ATOM 0 HA HIS A 76 11.616 3.088 4.046 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.763 3.180 1.241 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.453 4.215 1.774 1.00 0.14 H new ATOM 0 HD2 HIS A 76 13.080 4.661 4.830 1.00 0.16 H new ATOM 0 HE1 HIS A 76 15.694 6.831 2.292 1.00 0.22 H new ATOM 0 HE2 HIS A 76 14.979 6.441 4.700 1.00 0.19 H new ATOM 760 N VAL A 77 10.947 0.881 1.697 1.00 0.09 N ATOM 761 CA VAL A 77 9.904 0.072 1.111 1.00 0.07 C ATOM 762 C VAL A 77 9.191 -0.726 2.203 1.00 0.08 C ATOM 763 O VAL A 77 7.980 -0.625 2.349 1.00 0.08 O ATOM 764 CB VAL A 77 10.468 -0.875 0.020 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.414 -1.875 -0.423 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.974 -0.071 -1.183 1.00 0.08 C ATOM 0 H VAL A 77 11.887 0.645 1.380 1.00 0.09 H new ATOM 0 HA VAL A 77 9.186 0.735 0.628 1.00 0.07 H new ATOM 0 HB VAL A 77 11.306 -1.424 0.450 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.832 -2.529 -1.189 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.098 -2.473 0.432 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.555 -1.342 -0.831 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.366 -0.753 -1.938 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.152 0.506 -1.607 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.765 0.607 -0.861 1.00 0.08 H new ATOM 776 N ARG A 78 9.957 -1.471 3.004 1.00 0.09 N ATOM 777 CA ARG A 78 9.381 -2.281 4.082 1.00 0.11 C ATOM 778 C ARG A 78 8.645 -1.425 5.107 1.00 0.10 C ATOM 779 O ARG A 78 7.669 -1.876 5.706 1.00 0.14 O ATOM 780 CB ARG A 78 10.453 -3.092 4.802 1.00 0.18 C ATOM 781 CG ARG A 78 10.997 -4.261 4.002 1.00 0.37 C ATOM 782 CD ARG A 78 11.946 -5.092 4.847 1.00 0.40 C ATOM 783 NE ARG A 78 13.111 -4.322 5.284 1.00 1.11 N ATOM 784 CZ ARG A 78 14.336 -4.827 5.420 1.00 1.43 C ATOM 785 NH1 ARG A 78 14.565 -6.115 5.197 1.00 1.57 N ATOM 786 NH2 ARG A 78 15.335 -4.047 5.805 1.00 2.21 N ATOM 0 H ARG A 78 10.972 -1.531 2.928 1.00 0.09 H new ATOM 0 HA ARG A 78 8.669 -2.956 3.607 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.279 -2.430 5.062 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.039 -3.469 5.738 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.174 -4.883 3.652 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.517 -3.893 3.118 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.415 -5.472 5.720 1.00 0.40 H new ATOM 0 HD3 ARG A 78 12.278 -5.957 4.274 1.00 0.40 H new ATOM 0 HE ARG A 78 12.976 -3.334 5.498 1.00 1.11 H new ATOM 0 HH11 ARG A 78 13.799 -6.728 4.919 1.00 1.57 H new ATOM 0 HH12 ARG A 78 15.507 -6.492 5.304 1.00 1.57 H new ATOM 0 HH21 ARG A 78 15.166 -3.060 5.997 1.00 2.21 H new ATOM 0 HH22 ARG A 78 16.273 -4.434 5.909 1.00 2.21 H new ATOM 800 N ASP A 79 9.117 -0.202 5.313 1.00 0.11 N ATOM 801 CA ASP A 79 8.497 0.712 6.268 1.00 0.12 C ATOM 802 C ASP A 79 7.064 0.983 5.856 1.00 0.11 C ATOM 803 O ASP A 79 6.115 0.813 6.632 1.00 0.12 O ATOM 804 CB ASP A 79 9.265 2.031 6.313 1.00 0.16 C ATOM 805 CG ASP A 79 9.175 2.715 7.663 1.00 0.57 C ATOM 806 OD1 ASP A 79 8.688 2.085 8.630 1.00 1.05 O ATOM 807 OD2 ASP A 79 9.615 3.876 7.771 1.00 0.95 O ATOM 0 H ASP A 79 9.930 0.182 4.831 1.00 0.11 H new ATOM 0 HA ASP A 79 8.517 0.253 7.256 1.00 0.12 H new ATOM 0 HB2 ASP A 79 10.312 1.845 6.074 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.876 2.700 5.545 1.00 0.16 H new ATOM 812 N TRP A 80 6.911 1.342 4.596 1.00 0.10 N ATOM 813 CA TRP A 80 5.617 1.649 4.035 1.00 0.09 C ATOM 814 C TRP A 80 4.821 0.365 3.866 1.00 0.09 C ATOM 815 O TRP A 80 3.589 0.351 3.971 1.00 0.09 O ATOM 816 CB TRP A 80 5.849 2.339 2.694 1.00 0.09 C ATOM 817 CG TRP A 80 4.769 2.139 1.694 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.637 2.875 1.539 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.741 1.129 0.686 1.00 0.09 C ATOM 820 NE1 TRP A 80 2.913 2.389 0.481 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.574 1.316 -0.057 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.602 0.086 0.340 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.243 0.503 -1.131 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.272 -0.723 -0.722 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.100 -0.510 -1.451 1.00 0.10 C ATOM 0 H TRP A 80 7.683 1.428 3.935 1.00 0.10 H new ATOM 0 HA TRP A 80 5.046 2.307 4.689 1.00 0.09 H new ATOM 0 HB2 TRP A 80 5.970 3.408 2.868 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.787 1.976 2.272 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.351 3.715 2.155 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.025 2.765 0.148 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.512 -0.083 0.897 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.337 0.666 -1.696 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.929 -1.535 -0.996 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.868 -1.158 -2.283 1.00 0.10 H new ATOM 836 N VAL A 81 5.563 -0.712 3.648 1.00 0.10 N ATOM 837 CA VAL A 81 5.005 -2.033 3.452 1.00 0.11 C ATOM 838 C VAL A 81 4.240 -2.464 4.697 1.00 0.11 C ATOM 839 O VAL A 81 3.045 -2.748 4.649 1.00 0.11 O ATOM 840 CB VAL A 81 6.141 -3.039 3.108 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.850 -4.442 3.604 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.388 -3.062 1.608 1.00 0.14 C ATOM 0 H VAL A 81 6.582 -0.687 3.603 1.00 0.10 H new ATOM 0 HA VAL A 81 4.305 -2.014 2.617 1.00 0.11 H new ATOM 0 HB VAL A 81 7.036 -2.693 3.625 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.676 -5.101 3.336 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.734 -4.428 4.688 1.00 0.14 H new ATOM 0 HG13 VAL A 81 4.931 -4.807 3.145 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.185 -3.770 1.381 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.476 -3.365 1.094 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.680 -2.067 1.272 1.00 0.14 H new ATOM 852 N MET A 82 4.927 -2.481 5.817 1.00 0.11 N ATOM 853 CA MET A 82 4.297 -2.851 7.066 1.00 0.12 C ATOM 854 C MET A 82 3.334 -1.777 7.560 1.00 0.11 C ATOM 855 O MET A 82 2.532 -2.052 8.439 1.00 0.12 O ATOM 856 CB MET A 82 5.327 -3.175 8.137 1.00 0.15 C ATOM 857 CG MET A 82 6.156 -1.982 8.578 1.00 0.13 C ATOM 858 SD MET A 82 7.480 -2.433 9.716 1.00 0.49 S ATOM 859 CE MET A 82 6.565 -3.344 10.958 1.00 0.42 C ATOM 0 H MET A 82 5.917 -2.245 5.890 1.00 0.11 H new ATOM 0 HA MET A 82 3.717 -3.752 6.867 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.815 -3.589 9.005 1.00 0.15 H new ATOM 0 HB3 MET A 82 5.995 -3.950 7.761 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.586 -1.500 7.700 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.505 -1.250 9.057 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.224 -3.582 11.793 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.732 -2.738 11.314 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.182 -4.267 10.523 1.00 0.42 H new ATOM 869 N TRP A 83 3.406 -0.557 7.026 1.00 0.09 N ATOM 870 CA TRP A 83 2.502 0.496 7.486 1.00 0.09 C ATOM 871 C TRP A 83 1.057 0.221 7.066 1.00 0.09 C ATOM 872 O TRP A 83 0.175 0.116 7.912 1.00 0.11 O ATOM 873 CB TRP A 83 2.937 1.883 6.991 1.00 0.09 C ATOM 874 CG TRP A 83 1.981 2.962 7.382 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.964 3.660 8.552 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.893 3.460 6.600 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.930 4.560 8.543 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.260 4.457 7.356 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.397 3.160 5.330 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.845 5.154 6.883 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.697 3.851 4.864 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.307 4.839 5.637 1.00 0.15 C ATOM 0 H TRP A 83 4.061 -0.279 6.295 1.00 0.09 H new ATOM 0 HA TRP A 83 2.553 0.492 8.575 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.923 2.114 7.393 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.032 1.863 5.905 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.661 3.524 9.365 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.698 5.203 9.300 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.864 2.398 4.724 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.322 5.918 7.480 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.090 3.625 3.884 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.163 5.366 5.242 1.00 0.15 H new ATOM 893 N ALA A 84 0.797 0.105 5.771 1.00 0.09 N ATOM 894 CA ALA A 84 -0.566 -0.168 5.322 1.00 0.10 C ATOM 895 C ALA A 84 -1.025 -1.485 5.927 1.00 0.10 C ATOM 896 O ALA A 84 -2.180 -1.658 6.320 1.00 0.12 O ATOM 897 CB ALA A 84 -0.648 -0.210 3.806 1.00 0.12 C ATOM 0 H ALA A 84 1.490 0.192 5.028 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.222 0.636 5.655 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.675 -0.415 3.503 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.334 0.751 3.398 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.006 -0.996 3.428 1.00 0.12 H new ATOM 903 N VAL A 85 -0.071 -2.387 6.025 1.00 0.10 N ATOM 904 CA VAL A 85 -0.248 -3.664 6.681 1.00 0.11 C ATOM 905 C VAL A 85 -0.652 -3.517 8.154 1.00 0.13 C ATOM 906 O VAL A 85 -1.623 -4.131 8.591 1.00 0.14 O ATOM 907 CB VAL A 85 1.058 -4.488 6.543 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.247 -5.489 7.674 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.079 -5.198 5.204 1.00 0.14 C ATOM 0 H VAL A 85 0.865 -2.250 5.644 1.00 0.10 H new ATOM 0 HA VAL A 85 -1.070 -4.188 6.192 1.00 0.11 H new ATOM 0 HB VAL A 85 1.890 -3.786 6.604 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.178 -6.036 7.524 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.287 -4.959 8.626 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.412 -6.189 7.684 1.00 0.15 H new ATOM 0 HG21 VAL A 85 1.999 -5.775 5.113 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.222 -5.868 5.134 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.031 -4.462 4.401 1.00 0.14 H new ATOM 919 N ASN A 86 0.074 -2.714 8.921 1.00 0.15 N ATOM 920 CA ASN A 86 -0.173 -2.630 10.356 1.00 0.19 C ATOM 921 C ASN A 86 -1.463 -1.877 10.672 1.00 0.23 C ATOM 922 O ASN A 86 -2.059 -2.075 11.731 1.00 0.27 O ATOM 923 CB ASN A 86 1.037 -2.046 11.105 1.00 0.23 C ATOM 924 CG ASN A 86 0.991 -0.545 11.361 1.00 0.34 C ATOM 925 OD1 ASN A 86 0.444 0.215 10.437 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 1.471 -0.074 12.389 1.00 0.32 N flip ATOM 0 H ASN A 86 0.829 -2.119 8.580 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.312 -3.649 10.718 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.130 -2.557 12.063 1.00 0.23 H new ATOM 0 HB3 ASN A 86 1.938 -2.272 10.535 1.00 0.23 H new ATOM 0 HD21 ASN A 86 1.888 -0.691 13.086 1.00 0.32 H new ATOM 0 HD22 ASN A 86 1.453 0.934 12.545 1.00 0.32 H new ATOM 933 N GLU A 87 -1.912 -1.045 9.738 1.00 0.24 N ATOM 934 CA GLU A 87 -3.131 -0.274 9.935 1.00 0.31 C ATOM 935 C GLU A 87 -4.309 -1.211 9.764 1.00 0.28 C ATOM 936 O GLU A 87 -5.276 -1.188 10.524 1.00 0.35 O ATOM 937 CB GLU A 87 -3.202 0.873 8.919 1.00 0.38 C ATOM 938 CG GLU A 87 -4.452 1.730 9.037 1.00 1.23 C ATOM 939 CD GLU A 87 -4.563 2.418 10.380 1.00 1.35 C ATOM 940 OE1 GLU A 87 -3.896 3.452 10.582 1.00 1.08 O ATOM 941 OE2 GLU A 87 -5.314 1.922 11.243 1.00 2.15 O ATOM 0 H GLU A 87 -1.451 -0.889 8.841 1.00 0.24 H new ATOM 0 HA GLU A 87 -3.146 0.165 10.933 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.325 1.509 9.043 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -3.154 0.456 7.913 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -4.448 2.482 8.247 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -5.332 1.106 8.879 1.00 1.23 H new ATOM 948 N PHE A 88 -4.175 -2.067 8.766 1.00 0.23 N ATOM 949 CA PHE A 88 -5.151 -3.095 8.469 1.00 0.23 C ATOM 950 C PHE A 88 -4.993 -4.301 9.384 1.00 0.25 C ATOM 951 O PHE A 88 -5.708 -5.294 9.247 1.00 0.30 O ATOM 952 CB PHE A 88 -4.976 -3.528 7.028 1.00 0.24 C ATOM 953 CG PHE A 88 -5.809 -2.724 6.083 1.00 0.28 C ATOM 954 CD1 PHE A 88 -7.123 -3.083 5.830 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.290 -1.609 5.459 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.902 -2.339 4.969 1.00 0.47 C ATOM 957 CE2 PHE A 88 -6.063 -0.866 4.598 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.369 -1.229 4.352 1.00 0.45 C ATOM 0 H PHE A 88 -3.375 -2.066 8.133 1.00 0.23 H new ATOM 0 HA PHE A 88 -6.147 -2.684 8.631 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.926 -3.437 6.750 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.240 -4.581 6.934 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.541 -3.954 6.312 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.268 -1.317 5.648 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.926 -2.626 4.779 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.645 0.004 4.113 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.974 -0.644 3.676 1.00 0.45 H new ATOM 968 N SER A 89 -4.047 -4.191 10.320 1.00 0.27 N ATOM 969 CA SER A 89 -3.672 -5.278 11.224 1.00 0.34 C ATOM 970 C SER A 89 -3.418 -6.575 10.455 1.00 0.36 C ATOM 971 O SER A 89 -3.804 -7.657 10.895 1.00 0.48 O ATOM 972 CB SER A 89 -4.730 -5.478 12.327 1.00 0.45 C ATOM 973 OG SER A 89 -6.010 -5.790 11.799 1.00 1.07 O ATOM 0 H SER A 89 -3.515 -3.334 10.472 1.00 0.27 H new ATOM 0 HA SER A 89 -2.739 -4.996 11.711 1.00 0.34 H new ATOM 0 HB2 SER A 89 -4.410 -6.279 12.993 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.799 -4.572 12.929 1.00 0.45 H new ATOM 0 HG SER A 89 -5.924 -6.026 10.852 1.00 1.07 H new ATOM 979 N LEU A 90 -2.739 -6.463 9.313 1.00 0.31 N ATOM 980 CA LEU A 90 -2.464 -7.619 8.478 1.00 0.40 C ATOM 981 C LEU A 90 -1.384 -8.454 9.138 1.00 0.59 C ATOM 982 O LEU A 90 -1.516 -9.669 9.271 1.00 1.23 O ATOM 983 CB LEU A 90 -2.008 -7.139 7.096 1.00 0.33 C ATOM 984 CG LEU A 90 -2.920 -6.075 6.478 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.384 -5.614 5.137 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.334 -6.622 6.325 1.00 0.27 C ATOM 0 H LEU A 90 -2.372 -5.583 8.951 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.360 -8.229 8.360 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.998 -6.736 7.177 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.957 -7.995 6.423 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.944 -5.214 7.146 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -3.050 -4.859 4.719 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.390 -5.188 5.270 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.327 -6.464 4.456 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.974 -5.858 5.885 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.317 -7.498 5.677 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.724 -6.902 7.304 1.00 0.27 H new ATOM 998 N LYS A 91 -0.338 -7.749 9.581 1.00 0.24 N ATOM 999 CA LYS A 91 0.703 -8.283 10.466 1.00 0.39 C ATOM 1000 C LYS A 91 1.208 -9.666 10.050 1.00 0.26 C ATOM 1001 O LYS A 91 1.680 -10.431 10.889 1.00 0.39 O ATOM 1002 CB LYS A 91 0.162 -8.336 11.895 1.00 0.78 C ATOM 1003 CG LYS A 91 -0.556 -7.060 12.308 1.00 1.31 C ATOM 1004 CD LYS A 91 0.398 -5.889 12.459 1.00 1.49 C ATOM 1005 CE LYS A 91 1.005 -5.843 13.851 1.00 1.91 C ATOM 1006 NZ LYS A 91 -0.042 -5.670 14.894 1.00 2.48 N ATOM 0 H LYS A 91 -0.188 -6.772 9.330 1.00 0.24 H new ATOM 0 HA LYS A 91 1.559 -7.612 10.397 1.00 0.39 H new ATOM 0 HB2 LYS A 91 -0.524 -9.178 11.987 1.00 0.78 H new ATOM 0 HB3 LYS A 91 0.987 -8.521 12.583 1.00 0.78 H new ATOM 0 HG2 LYS A 91 -1.315 -6.815 11.565 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -1.076 -7.227 13.251 1.00 1.31 H new ATOM 0 HD2 LYS A 91 1.192 -5.967 11.717 1.00 1.49 H new ATOM 0 HD3 LYS A 91 -0.133 -4.958 12.261 1.00 1.49 H new ATOM 0 HE2 LYS A 91 1.559 -6.763 14.039 1.00 1.91 H new ATOM 0 HE3 LYS A 91 1.720 -5.022 13.911 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 0.210 -4.870 15.509 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 -0.958 -5.482 14.439 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 -0.111 -6.537 15.464 1.00 2.48 H new ATOM 1020 N GLY A 92 1.114 -9.996 8.768 1.00 0.26 N ATOM 1021 CA GLY A 92 1.583 -11.279 8.295 1.00 0.31 C ATOM 1022 C GLY A 92 2.322 -11.123 6.991 1.00 0.31 C ATOM 1023 O GLY A 92 2.159 -11.919 6.065 1.00 0.47 O ATOM 0 H GLY A 92 0.719 -9.393 8.046 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.239 -11.730 9.040 1.00 0.31 H new ATOM 0 HA3 GLY A 92 0.738 -11.955 8.163 1.00 0.31 H new ATOM 1027 N VAL A 93 3.136 -10.083 6.929 1.00 0.21 N ATOM 1028 CA VAL A 93 3.911 -9.773 5.751 1.00 0.21 C ATOM 1029 C VAL A 93 5.287 -10.394 5.869 1.00 0.20 C ATOM 1030 O VAL A 93 5.927 -10.310 6.922 1.00 0.22 O ATOM 1031 CB VAL A 93 4.006 -8.240 5.541 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.426 -7.787 5.240 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.093 -7.834 4.406 1.00 0.23 C ATOM 0 H VAL A 93 3.275 -9.430 7.700 1.00 0.21 H new ATOM 0 HA VAL A 93 3.412 -10.192 4.877 1.00 0.21 H new ATOM 0 HB VAL A 93 3.699 -7.758 6.469 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.441 -6.706 5.101 1.00 0.21 H new ATOM 0 HG12 VAL A 93 6.077 -8.055 6.072 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.779 -8.275 4.331 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.157 -6.756 4.255 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.397 -8.347 3.493 1.00 0.23 H new ATOM 0 HG23 VAL A 93 2.066 -8.106 4.650 1.00 0.23 H new ATOM 1043 N ASP A 94 5.724 -11.055 4.813 1.00 0.21 N ATOM 1044 CA ASP A 94 7.069 -11.583 4.783 1.00 0.24 C ATOM 1045 C ASP A 94 7.994 -10.485 4.300 1.00 0.21 C ATOM 1046 O ASP A 94 8.049 -10.184 3.107 1.00 0.20 O ATOM 1047 CB ASP A 94 7.171 -12.818 3.887 1.00 0.32 C ATOM 1048 CG ASP A 94 8.513 -13.508 4.024 1.00 1.02 C ATOM 1049 OD1 ASP A 94 9.462 -13.117 3.313 1.00 1.94 O ATOM 1050 OD2 ASP A 94 8.620 -14.451 4.828 1.00 1.10 O ATOM 0 H ASP A 94 5.172 -11.236 3.975 1.00 0.21 H new ATOM 0 HA ASP A 94 7.356 -11.903 5.785 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.375 -13.518 4.142 1.00 0.32 H new ATOM 0 HB3 ASP A 94 7.018 -12.526 2.848 1.00 0.32 H new ATOM 1055 N PHE A 95 8.711 -9.885 5.237 1.00 0.23 N ATOM 1056 CA PHE A 95 9.511 -8.702 4.953 1.00 0.24 C ATOM 1057 C PHE A 95 10.622 -9.045 3.982 1.00 0.23 C ATOM 1058 O PHE A 95 11.191 -8.174 3.326 1.00 0.28 O ATOM 1059 CB PHE A 95 10.103 -8.121 6.244 1.00 0.29 C ATOM 1060 CG PHE A 95 9.084 -7.528 7.175 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.367 -8.340 8.037 1.00 0.41 C ATOM 1062 CD2 PHE A 95 8.838 -6.165 7.184 1.00 0.55 C ATOM 1063 CE1 PHE A 95 7.426 -7.805 8.891 1.00 0.52 C ATOM 1064 CE2 PHE A 95 7.898 -5.624 8.036 1.00 0.66 C ATOM 1065 CZ PHE A 95 7.210 -6.422 8.900 1.00 0.61 C ATOM 0 H PHE A 95 8.756 -10.199 6.206 1.00 0.23 H new ATOM 0 HA PHE A 95 8.862 -7.950 4.503 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.644 -8.908 6.769 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.831 -7.353 5.983 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.547 -9.405 8.041 1.00 0.41 H new ATOM 0 HD2 PHE A 95 9.388 -5.519 6.516 1.00 0.55 H new ATOM 0 HE1 PHE A 95 6.860 -8.448 9.548 1.00 0.52 H new ATOM 0 HE2 PHE A 95 7.706 -4.561 8.018 1.00 0.66 H new ATOM 0 HZ PHE A 95 6.500 -5.989 9.589 1.00 0.61 H new ATOM 1075 N GLN A 96 10.908 -10.331 3.892 1.00 0.21 N ATOM 1076 CA GLN A 96 11.956 -10.827 3.021 1.00 0.24 C ATOM 1077 C GLN A 96 11.448 -10.946 1.597 1.00 0.21 C ATOM 1078 O GLN A 96 12.190 -10.729 0.643 1.00 0.25 O ATOM 1079 CB GLN A 96 12.441 -12.185 3.507 1.00 0.33 C ATOM 1080 CG GLN A 96 13.682 -12.684 2.788 1.00 1.06 C ATOM 1081 CD GLN A 96 14.810 -11.665 2.758 1.00 1.50 C ATOM 1082 OE1 GLN A 96 14.901 -10.828 3.781 1.00 2.08 O flip ATOM 1083 NE2 GLN A 96 15.603 -11.633 1.818 1.00 1.93 N flip ATOM 0 H GLN A 96 10.423 -11.058 4.418 1.00 0.21 H new ATOM 0 HA GLN A 96 12.786 -10.121 3.042 1.00 0.24 H new ATOM 0 HB2 GLN A 96 12.650 -12.125 4.575 1.00 0.33 H new ATOM 0 HB3 GLN A 96 11.640 -12.914 3.379 1.00 0.33 H new ATOM 0 HG2 GLN A 96 14.035 -13.593 3.276 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.418 -12.953 1.765 1.00 1.06 H new ATOM 0 HE21 GLN A 96 15.505 -12.292 1.045 1.00 1.93 H new ATOM 0 HE22 GLN A 96 16.358 -10.948 1.811 1.00 1.93 H new ATOM 1092 N LYS A 97 10.180 -11.301 1.452 1.00 0.18 N ATOM 1093 CA LYS A 97 9.568 -11.348 0.143 1.00 0.19 C ATOM 1094 C LYS A 97 9.352 -9.914 -0.307 1.00 0.17 C ATOM 1095 O LYS A 97 9.380 -9.598 -1.494 1.00 0.20 O ATOM 1096 CB LYS A 97 8.236 -12.114 0.178 1.00 0.23 C ATOM 1097 CG LYS A 97 7.941 -12.924 -1.082 1.00 0.26 C ATOM 1098 CD LYS A 97 7.718 -12.032 -2.290 1.00 0.25 C ATOM 1099 CE LYS A 97 7.335 -12.835 -3.524 1.00 0.38 C ATOM 1100 NZ LYS A 97 8.443 -13.697 -4.009 1.00 1.43 N ATOM 0 H LYS A 97 9.563 -11.558 2.222 1.00 0.18 H new ATOM 0 HA LYS A 97 10.216 -11.877 -0.556 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.240 -12.787 1.035 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.426 -11.402 0.336 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.771 -13.602 -1.280 1.00 0.26 H new ATOM 0 HG3 LYS A 97 7.057 -13.541 -0.918 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.932 -11.310 -2.068 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.625 -11.463 -2.494 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.469 -13.456 -3.295 1.00 0.38 H new ATOM 0 HE3 LYS A 97 7.036 -12.152 -4.319 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 8.155 -14.171 -4.889 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 9.284 -13.112 -4.190 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 8.667 -14.412 -3.288 1.00 1.43 H new ATOM 1114 N PHE A 98 9.200 -9.045 0.685 1.00 0.16 N ATOM 1115 CA PHE A 98 9.032 -7.620 0.465 1.00 0.16 C ATOM 1116 C PHE A 98 10.383 -6.918 0.372 1.00 0.20 C ATOM 1117 O PHE A 98 10.483 -5.708 0.591 1.00 0.22 O ATOM 1118 CB PHE A 98 8.220 -7.010 1.601 1.00 0.15 C ATOM 1119 CG PHE A 98 6.745 -7.135 1.404 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.028 -6.174 0.714 1.00 0.11 C ATOM 1121 CD2 PHE A 98 6.073 -8.222 1.925 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.666 -6.303 0.551 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.717 -8.358 1.761 1.00 0.13 C ATOM 1124 CZ PHE A 98 4.015 -7.332 1.004 1.00 0.12 C ATOM 0 H PHE A 98 9.190 -9.314 1.669 1.00 0.16 H new ATOM 0 HA PHE A 98 8.503 -7.483 -0.478 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.497 -7.494 2.537 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.479 -5.956 1.698 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.539 -5.317 0.300 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.622 -8.976 2.469 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.124 -5.526 0.032 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.187 -9.200 2.181 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.955 -7.426 0.819 1.00 0.12 H new ATOM 1134 N CYS A 99 11.418 -7.682 0.054 1.00 0.26 N ATOM 1135 CA CYS A 99 12.758 -7.140 -0.054 1.00 0.31 C ATOM 1136 C CYS A 99 12.919 -6.413 -1.377 1.00 0.23 C ATOM 1137 O CYS A 99 13.458 -6.956 -2.344 1.00 0.27 O ATOM 1138 CB CYS A 99 13.789 -8.260 0.043 1.00 0.45 C ATOM 1139 SG CYS A 99 15.478 -7.694 0.359 1.00 1.20 S ATOM 0 H CYS A 99 11.351 -8.682 -0.134 1.00 0.26 H new ATOM 0 HA CYS A 99 12.917 -6.438 0.764 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.492 -8.943 0.839 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.777 -8.830 -0.886 1.00 0.45 H new ATOM 0 HG CYS A 99 16.274 -8.720 0.425 1.00 1.20 H new ATOM 1145 N MET A 100 12.434 -5.191 -1.421 1.00 0.19 N ATOM 1146 CA MET A 100 12.594 -4.363 -2.590 1.00 0.16 C ATOM 1147 C MET A 100 13.293 -3.079 -2.235 1.00 0.17 C ATOM 1148 O MET A 100 13.064 -2.501 -1.174 1.00 0.20 O ATOM 1149 CB MET A 100 11.250 -4.004 -3.240 1.00 0.22 C ATOM 1150 CG MET A 100 10.609 -5.119 -4.040 1.00 0.22 C ATOM 1151 SD MET A 100 9.667 -6.257 -3.013 1.00 0.13 S ATOM 1152 CE MET A 100 8.490 -5.134 -2.260 1.00 0.18 C ATOM 0 H MET A 100 11.924 -4.750 -0.656 1.00 0.19 H new ATOM 0 HA MET A 100 13.186 -4.945 -3.297 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.557 -3.693 -2.458 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.398 -3.145 -3.895 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.951 -4.688 -4.795 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.384 -5.672 -4.571 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.731 -5.008 -1.204 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.538 -4.167 -2.761 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.484 -5.543 -2.356 1.00 0.18 H new ATOM 1162 N SER A 101 14.163 -2.658 -3.115 1.00 0.16 N ATOM 1163 CA SER A 101 14.557 -1.280 -3.162 1.00 0.18 C ATOM 1164 C SER A 101 13.451 -0.591 -3.945 1.00 0.14 C ATOM 1165 O SER A 101 12.715 -1.273 -4.641 1.00 0.15 O ATOM 1166 CB SER A 101 15.916 -1.136 -3.846 1.00 0.24 C ATOM 1167 OG SER A 101 16.860 -2.046 -3.298 1.00 1.26 O ATOM 0 H SER A 101 14.612 -3.254 -3.810 1.00 0.16 H new ATOM 0 HA SER A 101 14.677 -0.840 -2.172 1.00 0.18 H new ATOM 0 HB2 SER A 101 15.810 -1.317 -4.916 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.280 -0.115 -3.730 1.00 0.24 H new ATOM 0 HG SER A 101 17.090 -1.769 -2.386 1.00 1.26 H new ATOM 1173 N GLY A 102 13.284 0.705 -3.811 1.00 0.13 N ATOM 1174 CA GLY A 102 12.189 1.387 -4.471 1.00 0.14 C ATOM 1175 C GLY A 102 12.038 1.044 -5.943 1.00 0.14 C ATOM 1176 O GLY A 102 10.930 0.770 -6.408 1.00 0.16 O ATOM 0 H GLY A 102 13.889 1.308 -3.254 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.260 1.143 -3.956 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.334 2.463 -4.373 1.00 0.14 H new ATOM 1180 N ALA A 103 13.132 1.058 -6.687 1.00 0.17 N ATOM 1181 CA ALA A 103 13.065 0.727 -8.102 1.00 0.21 C ATOM 1182 C ALA A 103 12.554 -0.693 -8.283 1.00 0.21 C ATOM 1183 O ALA A 103 11.808 -0.983 -9.217 1.00 0.25 O ATOM 1184 CB ALA A 103 14.418 0.904 -8.763 1.00 0.26 C ATOM 0 H ALA A 103 14.063 1.291 -6.343 1.00 0.17 H new ATOM 0 HA ALA A 103 12.367 1.411 -8.586 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.342 0.650 -9.820 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.740 1.940 -8.660 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.145 0.249 -8.284 1.00 0.26 H new ATOM 1190 N ALA A 104 12.936 -1.561 -7.359 1.00 0.19 N ATOM 1191 CA ALA A 104 12.444 -2.926 -7.339 1.00 0.20 C ATOM 1192 C ALA A 104 10.978 -2.944 -6.929 1.00 0.16 C ATOM 1193 O ALA A 104 10.169 -3.666 -7.521 1.00 0.17 O ATOM 1194 CB ALA A 104 13.277 -3.778 -6.390 1.00 0.22 C ATOM 0 H ALA A 104 13.590 -1.340 -6.608 1.00 0.19 H new ATOM 0 HA ALA A 104 12.532 -3.347 -8.340 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.895 -4.799 -6.387 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.316 -3.781 -6.720 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.217 -3.365 -5.383 1.00 0.22 H new ATOM 1200 N LEU A 105 10.642 -2.158 -5.897 1.00 0.12 N ATOM 1201 CA LEU A 105 9.266 -1.982 -5.455 1.00 0.09 C ATOM 1202 C LEU A 105 8.334 -1.693 -6.607 1.00 0.12 C ATOM 1203 O LEU A 105 7.237 -2.207 -6.678 1.00 0.13 O ATOM 1204 CB LEU A 105 9.166 -0.819 -4.458 1.00 0.09 C ATOM 1205 CG LEU A 105 7.750 -0.586 -3.966 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.272 -1.772 -3.154 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.644 0.686 -3.166 1.00 0.14 C ATOM 0 H LEU A 105 11.322 -1.630 -5.350 1.00 0.12 H new ATOM 0 HA LEU A 105 8.969 -2.919 -4.983 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.813 -1.021 -3.605 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.536 0.091 -4.930 1.00 0.09 H new ATOM 0 HG LEU A 105 7.107 -0.478 -4.839 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.255 -1.590 -2.808 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.289 -2.668 -3.774 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.928 -1.913 -2.295 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.616 0.820 -2.830 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.304 0.627 -2.300 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.936 1.532 -3.788 1.00 0.14 H new ATOM 1219 N CYS A 106 8.742 -0.789 -7.435 1.00 0.21 N ATOM 1220 CA CYS A 106 8.010 -0.480 -8.634 1.00 0.31 C ATOM 1221 C CYS A 106 8.080 -1.601 -9.667 1.00 0.34 C ATOM 1222 O CYS A 106 7.045 -2.084 -10.135 1.00 0.40 O ATOM 1223 CB CYS A 106 8.561 0.802 -9.213 1.00 0.39 C ATOM 1224 SG CYS A 106 7.816 1.305 -10.785 1.00 0.74 S ATOM 0 H CYS A 106 9.592 -0.240 -7.306 1.00 0.21 H new ATOM 0 HA CYS A 106 6.958 -0.365 -8.375 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.420 1.603 -8.487 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.635 0.688 -9.356 1.00 0.39 H new ATOM 0 HG CYS A 106 8.497 2.289 -11.293 1.00 0.74 H new ATOM 1230 N ALA A 107 9.298 -2.004 -10.021 1.00 0.33 N ATOM 1231 CA ALA A 107 9.536 -2.947 -11.111 1.00 0.41 C ATOM 1232 C ALA A 107 8.795 -4.276 -10.968 1.00 0.38 C ATOM 1233 O ALA A 107 8.667 -5.011 -11.949 1.00 0.46 O ATOM 1234 CB ALA A 107 11.026 -3.199 -11.254 1.00 0.47 C ATOM 0 H ALA A 107 10.150 -1.685 -9.559 1.00 0.33 H new ATOM 0 HA ALA A 107 9.134 -2.477 -12.009 1.00 0.41 H new ATOM 0 HB1 ALA A 107 11.199 -3.903 -12.068 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.535 -2.260 -11.472 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.415 -3.616 -10.325 1.00 0.47 H new ATOM 1240 N LEU A 108 8.334 -4.619 -9.768 1.00 0.29 N ATOM 1241 CA LEU A 108 7.544 -5.833 -9.610 1.00 0.26 C ATOM 1242 C LEU A 108 6.251 -5.770 -10.429 1.00 0.26 C ATOM 1243 O LEU A 108 5.882 -6.737 -11.094 1.00 0.28 O ATOM 1244 CB LEU A 108 7.259 -6.165 -8.124 1.00 0.21 C ATOM 1245 CG LEU A 108 6.966 -4.996 -7.167 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.614 -4.334 -7.449 1.00 0.21 C ATOM 1247 CD2 LEU A 108 7.032 -5.494 -5.732 1.00 0.19 C ATOM 0 H LEU A 108 8.489 -4.088 -8.911 1.00 0.29 H new ATOM 0 HA LEU A 108 8.147 -6.652 -10.002 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.408 -6.845 -8.091 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.118 -6.710 -7.733 1.00 0.21 H new ATOM 0 HG LEU A 108 7.725 -4.230 -7.328 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.456 -3.516 -6.746 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.605 -3.945 -8.467 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.818 -5.070 -7.334 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.825 -4.669 -5.051 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.291 -6.280 -5.585 1.00 0.19 H new ATOM 0 HD23 LEU A 108 8.027 -5.891 -5.530 1.00 0.19 H new ATOM 1259 N GLY A 109 5.595 -4.620 -10.430 1.00 0.27 N ATOM 1260 CA GLY A 109 4.301 -4.516 -11.068 1.00 0.32 C ATOM 1261 C GLY A 109 3.213 -5.105 -10.194 1.00 0.27 C ATOM 1262 O GLY A 109 3.507 -5.910 -9.304 1.00 0.23 O ATOM 0 H GLY A 109 5.935 -3.759 -10.001 1.00 0.27 H new ATOM 0 HA2 GLY A 109 4.078 -3.470 -11.276 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.322 -5.034 -12.027 1.00 0.32 H new ATOM 1266 N LYS A 110 1.972 -4.693 -10.424 1.00 0.33 N ATOM 1267 CA LYS A 110 0.843 -5.166 -9.626 1.00 0.36 C ATOM 1268 C LYS A 110 0.868 -6.676 -9.445 1.00 0.26 C ATOM 1269 O LYS A 110 0.818 -7.161 -8.316 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.484 -4.766 -10.247 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.635 -4.900 -9.264 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.689 -5.888 -9.725 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.221 -7.349 -9.661 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.232 -8.281 -10.228 1.00 0.67 N ATOM 0 H LYS A 110 1.720 -4.031 -11.158 1.00 0.33 H new ATOM 0 HA LYS A 110 0.942 -4.692 -8.649 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -0.424 -3.736 -10.597 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.678 -5.389 -11.120 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -1.245 -5.216 -8.296 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -2.098 -3.924 -9.118 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -3.580 -5.772 -9.108 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -2.977 -5.650 -10.749 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.284 -7.454 -10.207 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -2.018 -7.620 -8.625 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -2.878 -9.257 -10.166 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.119 -8.200 -9.691 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -3.407 -8.039 -11.224 1.00 0.67 H new ATOM 1288 N GLU A 111 0.937 -7.412 -10.554 1.00 0.25 N ATOM 1289 CA GLU A 111 0.893 -8.869 -10.505 1.00 0.31 C ATOM 1290 C GLU A 111 1.886 -9.415 -9.494 1.00 0.27 C ATOM 1291 O GLU A 111 1.497 -10.097 -8.553 1.00 0.39 O ATOM 1292 CB GLU A 111 1.151 -9.491 -11.883 1.00 0.48 C ATOM 1293 CG GLU A 111 2.301 -8.866 -12.650 1.00 1.39 C ATOM 1294 CD GLU A 111 1.834 -7.767 -13.572 1.00 1.95 C ATOM 1295 OE1 GLU A 111 1.594 -6.641 -13.089 1.00 2.54 O ATOM 1296 OE2 GLU A 111 1.675 -8.036 -14.779 1.00 2.46 O ATOM 0 H GLU A 111 1.023 -7.023 -11.493 1.00 0.25 H new ATOM 0 HA GLU A 111 -0.113 -9.145 -10.190 1.00 0.31 H new ATOM 0 HB2 GLU A 111 1.351 -10.555 -11.756 1.00 0.48 H new ATOM 0 HB3 GLU A 111 0.244 -9.407 -12.481 1.00 0.48 H new ATOM 0 HG2 GLU A 111 3.030 -8.464 -11.946 1.00 1.39 H new ATOM 0 HG3 GLU A 111 2.810 -9.635 -13.231 1.00 1.39 H new ATOM 1303 N CYS A 112 3.152 -9.072 -9.670 1.00 0.21 N ATOM 1304 CA CYS A 112 4.201 -9.576 -8.808 1.00 0.18 C ATOM 1305 C CYS A 112 3.990 -9.133 -7.370 1.00 0.15 C ATOM 1306 O CYS A 112 4.128 -9.941 -6.468 1.00 0.17 O ATOM 1307 CB CYS A 112 5.576 -9.138 -9.305 1.00 0.21 C ATOM 1308 SG CYS A 112 5.958 -9.687 -10.986 1.00 1.36 S ATOM 0 H CYS A 112 3.476 -8.444 -10.406 1.00 0.21 H new ATOM 0 HA CYS A 112 4.157 -10.665 -8.838 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.636 -8.050 -9.266 1.00 0.21 H new ATOM 0 HB3 CYS A 112 6.337 -9.523 -8.626 1.00 0.21 H new ATOM 0 HG CYS A 112 6.088 -8.652 -11.761 1.00 1.36 H new ATOM 1314 N PHE A 113 3.664 -7.859 -7.148 1.00 0.13 N ATOM 1315 CA PHE A 113 3.395 -7.375 -5.797 1.00 0.12 C ATOM 1316 C PHE A 113 2.292 -8.187 -5.106 1.00 0.13 C ATOM 1317 O PHE A 113 2.431 -8.595 -3.956 1.00 0.14 O ATOM 1318 CB PHE A 113 3.016 -5.887 -5.803 1.00 0.12 C ATOM 1319 CG PHE A 113 3.275 -5.225 -4.481 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.474 -5.507 -3.391 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.350 -4.361 -4.311 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.727 -4.943 -2.163 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.612 -3.804 -3.080 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.800 -4.092 -2.006 1.00 0.10 C ATOM 0 H PHE A 113 3.581 -7.152 -7.878 1.00 0.13 H new ATOM 0 HA PHE A 113 4.318 -7.503 -5.232 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.582 -5.374 -6.580 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.961 -5.785 -6.057 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.637 -6.180 -3.505 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.985 -4.125 -5.152 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.086 -5.166 -1.323 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.455 -3.141 -2.956 1.00 0.13 H new ATOM 0 HZ PHE A 113 4.004 -3.651 -1.041 1.00 0.10 H new ATOM 1334 N LEU A 114 1.187 -8.422 -5.783 1.00 0.14 N ATOM 1335 CA LEU A 114 0.086 -9.138 -5.145 1.00 0.17 C ATOM 1336 C LEU A 114 0.382 -10.625 -5.119 1.00 0.22 C ATOM 1337 O LEU A 114 -0.236 -11.387 -4.381 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.248 -8.861 -5.826 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.439 -7.431 -6.344 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -2.911 -7.120 -6.506 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.800 -6.404 -5.436 1.00 0.50 C ATOM 0 H LEU A 114 1.022 -8.139 -6.749 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.001 -8.774 -4.121 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.359 -9.550 -6.663 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.049 -9.084 -5.121 1.00 0.19 H new ATOM 0 HG LEU A 114 -0.943 -7.375 -7.313 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.029 -6.101 -6.874 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.354 -7.817 -7.218 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.412 -7.218 -5.543 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -0.962 -5.406 -5.844 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.247 -6.467 -4.444 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.270 -6.598 -5.364 1.00 0.50 H new ATOM 1353 N GLU A 115 1.319 -11.031 -5.960 1.00 0.22 N ATOM 1354 CA GLU A 115 1.884 -12.364 -5.886 1.00 0.28 C ATOM 1355 C GLU A 115 2.905 -12.427 -4.752 1.00 0.27 C ATOM 1356 O GLU A 115 3.299 -13.497 -4.288 1.00 0.37 O ATOM 1357 CB GLU A 115 2.585 -12.727 -7.192 1.00 0.37 C ATOM 1358 CG GLU A 115 1.642 -13.088 -8.324 1.00 0.48 C ATOM 1359 CD GLU A 115 0.976 -14.424 -8.111 1.00 1.33 C ATOM 1360 OE1 GLU A 115 1.670 -15.385 -7.725 1.00 1.81 O ATOM 1361 OE2 GLU A 115 -0.251 -14.515 -8.310 1.00 2.21 O ATOM 0 H GLU A 115 1.705 -10.451 -6.705 1.00 0.22 H new ATOM 0 HA GLU A 115 1.072 -13.068 -5.705 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.205 -11.887 -7.504 1.00 0.37 H new ATOM 0 HB3 GLU A 115 3.255 -13.567 -7.010 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.879 -12.315 -8.419 1.00 0.48 H new ATOM 0 HG3 GLU A 115 2.195 -13.106 -9.263 1.00 0.48 H new ATOM 1368 N LEU A 116 3.316 -11.245 -4.326 1.00 0.20 N ATOM 1369 CA LEU A 116 4.405 -11.064 -3.382 1.00 0.19 C ATOM 1370 C LEU A 116 3.886 -11.049 -1.944 1.00 0.22 C ATOM 1371 O LEU A 116 4.607 -11.380 -1.001 1.00 0.26 O ATOM 1372 CB LEU A 116 5.146 -9.768 -3.764 1.00 0.15 C ATOM 1373 CG LEU A 116 5.705 -8.916 -2.631 1.00 0.13 C ATOM 1374 CD1 LEU A 116 7.033 -8.310 -3.036 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.733 -7.815 -2.275 1.00 0.16 C ATOM 0 H LEU A 116 2.894 -10.368 -4.632 1.00 0.20 H new ATOM 0 HA LEU A 116 5.104 -11.899 -3.431 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.972 -10.035 -4.423 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.462 -9.149 -4.345 1.00 0.15 H new ATOM 0 HG LEU A 116 5.855 -9.555 -1.761 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.421 -7.704 -2.217 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.741 -9.106 -3.266 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.893 -7.683 -3.917 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.145 -7.214 -1.464 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.565 -7.182 -3.146 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.787 -8.253 -1.957 1.00 0.16 H new ATOM 1387 N ALA A 117 2.628 -10.681 -1.790 1.00 0.21 N ATOM 1388 CA ALA A 117 1.961 -10.732 -0.497 1.00 0.22 C ATOM 1389 C ALA A 117 0.634 -11.462 -0.641 1.00 0.23 C ATOM 1390 O ALA A 117 0.312 -11.938 -1.729 1.00 0.26 O ATOM 1391 CB ALA A 117 1.737 -9.325 0.037 1.00 0.22 C ATOM 0 H ALA A 117 2.040 -10.340 -2.551 1.00 0.21 H new ATOM 0 HA ALA A 117 2.590 -11.270 0.212 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.237 -9.378 1.004 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.697 -8.822 0.152 1.00 0.22 H new ATOM 0 HB3 ALA A 117 1.116 -8.765 -0.662 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.137 -11.618 0.447 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.539 -12.002 0.330 1.00 0.25 C ATOM 1399 C PRO A 118 -2.252 -11.091 -0.662 1.00 0.22 C ATOM 1400 O PRO A 118 -2.015 -9.886 -0.684 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.083 -11.783 1.734 1.00 0.28 C ATOM 1402 CG PRO A 118 -0.906 -11.979 2.626 1.00 0.32 C ATOM 1403 CD PRO A 118 0.294 -11.503 1.854 1.00 0.29 C ATOM 0 HA PRO A 118 -1.677 -13.022 -0.027 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.503 -10.783 1.845 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -2.879 -12.491 1.966 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.022 -11.415 3.551 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.799 -13.028 2.903 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.556 -10.477 2.111 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.172 -12.117 2.057 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.099 -11.679 -1.488 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.736 -10.967 -2.599 1.00 0.32 C ATOM 1413 C ASP A 119 -4.504 -9.715 -2.166 1.00 0.31 C ATOM 1414 O ASP A 119 -4.756 -8.846 -2.993 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.662 -11.900 -3.388 1.00 0.41 C ATOM 1416 CG ASP A 119 -5.838 -12.396 -2.569 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -5.636 -13.244 -1.673 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -6.972 -11.927 -2.805 1.00 1.26 O ATOM 0 H ASP A 119 -3.369 -12.660 -1.414 1.00 0.28 H new ATOM 0 HA ASP A 119 -2.920 -10.630 -3.239 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -5.034 -11.375 -4.268 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.089 -12.755 -3.746 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.875 -9.603 -0.893 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.534 -8.397 -0.419 1.00 0.32 C ATOM 1425 C PHE A 120 -4.488 -7.412 0.066 1.00 0.22 C ATOM 1426 O PHE A 120 -4.588 -6.214 -0.149 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.530 -8.703 0.700 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.322 -7.504 1.148 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.595 -6.478 0.261 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.806 -7.413 2.447 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.336 -5.383 0.658 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.545 -6.321 2.847 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.754 -5.283 1.996 1.00 1.86 C ATOM 0 H PHE A 120 -4.732 -10.322 -0.184 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.095 -7.963 -1.247 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.219 -9.476 0.360 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -5.990 -9.111 1.554 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.225 -6.534 -0.752 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.601 -8.206 3.151 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.592 -4.611 -0.053 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.961 -6.290 3.843 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.240 -4.384 2.346 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.473 -7.955 0.699 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.439 -7.174 1.337 1.00 0.17 C ATOM 1445 C VAL A 121 -1.496 -6.582 0.320 1.00 0.15 C ATOM 1446 O VAL A 121 -1.099 -5.423 0.435 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.671 -8.056 2.313 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.541 -7.288 2.973 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.653 -8.601 3.325 1.00 0.22 C ATOM 0 H VAL A 121 -3.341 -8.963 0.786 1.00 0.19 H new ATOM 0 HA VAL A 121 -2.908 -6.350 1.876 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.203 -8.885 1.782 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.011 -7.943 3.664 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.150 -6.930 2.210 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -0.949 -6.438 3.520 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.127 -9.237 4.037 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.124 -7.774 3.857 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.417 -9.185 2.812 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.137 -7.379 -0.671 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.371 -6.863 -1.767 1.00 0.19 C ATOM 1461 C GLY A 122 -1.122 -5.755 -2.455 1.00 0.16 C ATOM 1462 O GLY A 122 -0.542 -4.745 -2.788 1.00 0.14 O ATOM 0 H GLY A 122 -1.365 -8.371 -0.731 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.588 -6.492 -1.406 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.157 -7.662 -2.477 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.425 -5.949 -2.633 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.293 -4.996 -3.305 1.00 0.19 C ATOM 1468 C ASP A 123 -3.438 -3.742 -2.452 1.00 0.13 C ATOM 1469 O ASP A 123 -3.347 -2.625 -2.944 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.652 -5.666 -3.526 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.484 -5.037 -4.618 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -4.890 -4.502 -5.574 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.725 -5.016 -4.505 1.00 1.07 O ATOM 0 H ASP A 123 -2.912 -6.785 -2.309 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.871 -4.700 -4.266 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.491 -6.717 -3.767 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.215 -5.636 -2.593 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.666 -3.952 -1.162 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.661 -2.884 -0.169 1.00 0.10 C ATOM 1480 C ILE A 124 -2.383 -2.060 -0.252 1.00 0.09 C ATOM 1481 O ILE A 124 -2.417 -0.842 -0.450 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.830 -3.476 1.251 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.311 -3.655 1.570 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.163 -2.606 2.315 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.559 -4.395 2.866 1.00 0.22 C ATOM 0 H ILE A 124 -3.861 -4.874 -0.772 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.500 -2.221 -0.379 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.335 -4.447 1.265 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.785 -2.675 1.623 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.789 -4.197 0.753 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.306 -3.058 3.297 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.097 -2.526 2.104 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.610 -1.612 2.305 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.632 -4.488 3.032 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -5.114 -5.388 2.809 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.110 -3.843 3.692 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.262 -2.730 -0.091 1.00 0.08 N ATOM 1498 CA LEU A 125 0.023 -2.095 -0.221 1.00 0.08 C ATOM 1499 C LEU A 125 0.199 -1.503 -1.603 1.00 0.09 C ATOM 1500 O LEU A 125 0.665 -0.383 -1.739 1.00 0.10 O ATOM 1501 CB LEU A 125 1.115 -3.101 0.102 1.00 0.08 C ATOM 1502 CG LEU A 125 1.526 -3.091 1.558 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.397 -4.289 1.882 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.253 -1.795 1.858 1.00 0.09 C ATOM 0 H LEU A 125 -1.220 -3.724 0.132 1.00 0.08 H new ATOM 0 HA LEU A 125 0.090 -1.269 0.487 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.769 -4.100 -0.164 1.00 0.08 H new ATOM 0 HB3 LEU A 125 1.988 -2.891 -0.516 1.00 0.08 H new ATOM 0 HG LEU A 125 0.636 -3.157 2.184 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.680 -4.259 2.934 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.844 -5.206 1.680 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.295 -4.264 1.264 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.553 -1.780 2.906 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.138 -1.720 1.226 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.592 -0.952 1.658 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.234 -2.232 -2.613 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.113 -1.783 -3.985 1.00 0.10 C ATOM 1518 C TRP A 126 -0.893 -0.494 -4.196 1.00 0.11 C ATOM 1519 O TRP A 126 -0.434 0.406 -4.895 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.600 -2.850 -4.965 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.766 -2.292 -6.329 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.933 -1.906 -6.907 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.277 -2.007 -7.263 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.676 -1.370 -8.152 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.325 -1.435 -8.394 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.664 -2.179 -7.251 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.416 -1.026 -9.500 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.395 -1.777 -8.351 1.00 0.22 C ATOM 1529 CH2 TRP A 126 1.769 -1.206 -9.462 1.00 0.25 C ATOM 0 H TRP A 126 -0.676 -3.145 -2.507 1.00 0.09 H new ATOM 0 HA TRP A 126 0.944 -1.597 -4.178 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.112 -3.675 -4.991 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.549 -3.259 -4.619 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.912 -2.004 -6.461 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.375 -0.988 -8.789 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.156 -2.619 -6.396 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 -0.064 -0.581 -10.359 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.467 -1.906 -8.353 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.367 -0.901 -10.308 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.075 -0.411 -3.606 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.846 0.811 -3.652 1.00 0.12 C ATOM 1542 C GLU A 127 -2.013 1.962 -3.140 1.00 0.12 C ATOM 1543 O GLU A 127 -1.757 2.907 -3.869 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.126 0.695 -2.839 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.381 0.730 -3.693 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.396 -0.290 -4.810 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -5.821 -1.438 -4.565 1.00 1.43 O ATOM 1548 OE2 GLU A 127 -4.942 0.036 -5.915 1.00 0.84 O ATOM 0 H GLU A 127 -2.516 -1.174 -3.093 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.125 0.994 -4.690 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.106 -0.236 -2.272 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.164 1.509 -2.115 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -6.248 0.565 -3.053 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -5.487 1.726 -4.123 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.555 1.879 -1.898 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.716 2.939 -1.364 1.00 0.11 C ATOM 1557 C HIS A 128 0.547 3.075 -2.194 1.00 0.10 C ATOM 1558 O HIS A 128 1.077 4.163 -2.300 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.364 2.724 0.111 1.00 0.11 C ATOM 1560 CG HIS A 128 0.161 3.970 0.775 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.713 3.985 2.039 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.200 5.255 0.342 1.00 0.14 C ATOM 1563 CE1 HIS A 128 1.059 5.224 2.356 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.760 6.010 1.342 1.00 0.15 N ATOM 0 H HIS A 128 -1.745 1.109 -1.257 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.291 3.863 -1.422 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.250 2.380 0.644 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.383 1.934 0.190 1.00 0.11 H new ATOM 0 HD2 HIS A 128 -0.146 5.618 -0.615 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.509 5.536 3.287 1.00 0.15 H new ATOM 0 HE2 HIS A 128 0.919 7.017 1.306 1.00 0.15 H new ATOM 1573 N LEU A 129 1.021 1.987 -2.784 1.00 0.10 N ATOM 1574 CA LEU A 129 2.128 2.059 -3.720 1.00 0.12 C ATOM 1575 C LEU A 129 1.783 3.031 -4.831 1.00 0.15 C ATOM 1576 O LEU A 129 2.538 3.968 -5.110 1.00 0.18 O ATOM 1577 CB LEU A 129 2.447 0.661 -4.278 1.00 0.11 C ATOM 1578 CG LEU A 129 3.598 0.581 -5.282 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.668 1.587 -4.931 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.199 -0.809 -5.274 1.00 0.13 C ATOM 0 H LEU A 129 0.656 1.047 -2.630 1.00 0.10 H new ATOM 0 HA LEU A 129 3.019 2.420 -3.207 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.676 0.002 -3.441 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.549 0.269 -4.755 1.00 0.11 H new ATOM 0 HG LEU A 129 3.206 0.802 -6.275 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.482 1.520 -5.653 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.245 2.591 -4.954 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.051 1.377 -3.932 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.018 -0.856 -5.992 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.577 -1.036 -4.277 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.435 -1.537 -5.547 1.00 0.13 H new ATOM 1592 N GLU A 130 0.625 2.844 -5.437 1.00 0.17 N ATOM 1593 CA GLU A 130 0.197 3.746 -6.472 1.00 0.23 C ATOM 1594 C GLU A 130 -0.128 5.119 -5.903 1.00 0.25 C ATOM 1595 O GLU A 130 0.033 6.126 -6.577 1.00 0.37 O ATOM 1596 CB GLU A 130 -1.008 3.213 -7.244 1.00 0.27 C ATOM 1597 CG GLU A 130 -0.683 2.097 -8.219 1.00 0.69 C ATOM 1598 CD GLU A 130 -1.805 1.864 -9.210 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -2.839 1.279 -8.818 1.00 1.73 O ATOM 1600 OE2 GLU A 130 -1.651 2.233 -10.389 1.00 1.80 O ATOM 0 H GLU A 130 -0.023 2.084 -5.229 1.00 0.17 H new ATOM 0 HA GLU A 130 1.031 3.833 -7.168 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -1.750 2.852 -6.532 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.466 4.036 -7.792 1.00 0.27 H new ATOM 0 HG2 GLU A 130 0.232 2.342 -8.758 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -0.491 1.177 -7.666 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.608 5.149 -4.673 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.873 6.400 -3.983 1.00 0.21 C ATOM 1609 C ILE A 131 0.428 7.194 -3.744 1.00 0.22 C ATOM 1610 O ILE A 131 0.475 8.395 -3.978 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.623 6.155 -2.652 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.145 6.075 -2.859 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.323 7.260 -1.658 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.610 5.096 -3.914 1.00 0.23 C ATOM 0 H ILE A 131 -0.824 4.315 -4.127 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.517 7.000 -4.626 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.272 5.199 -2.264 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.609 5.807 -1.910 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.510 7.067 -3.123 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -1.860 7.069 -0.729 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.252 7.289 -1.459 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.641 8.217 -2.071 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.698 5.120 -3.978 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.184 5.371 -4.879 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.284 4.091 -3.647 1.00 0.23 H new ATOM 1626 N LEU A 132 1.488 6.532 -3.287 1.00 0.18 N ATOM 1627 CA LEU A 132 2.771 7.220 -3.113 1.00 0.20 C ATOM 1628 C LEU A 132 3.205 7.776 -4.447 1.00 0.25 C ATOM 1629 O LEU A 132 3.764 8.865 -4.547 1.00 0.29 O ATOM 1630 CB LEU A 132 3.875 6.298 -2.619 1.00 0.21 C ATOM 1631 CG LEU A 132 3.517 5.378 -1.477 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.116 4.027 -1.771 1.00 0.23 C ATOM 1633 CD2 LEU A 132 4.028 5.909 -0.144 1.00 0.25 C ATOM 0 H LEU A 132 1.490 5.544 -3.035 1.00 0.18 H new ATOM 0 HA LEU A 132 2.618 7.999 -2.366 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.212 5.688 -3.457 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.721 6.912 -2.311 1.00 0.21 H new ATOM 0 HG LEU A 132 2.433 5.309 -1.392 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.874 3.338 -0.962 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.709 3.645 -2.707 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.199 4.120 -1.857 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.750 5.219 0.653 1.00 0.25 H new ATOM 0 HD22 LEU A 132 5.113 6.002 -0.182 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.586 6.886 0.052 1.00 0.25 H new ATOM 1645 N GLN A 133 2.929 6.996 -5.475 1.00 0.28 N ATOM 1646 CA GLN A 133 3.196 7.402 -6.830 1.00 0.38 C ATOM 1647 C GLN A 133 2.314 8.585 -7.195 1.00 0.37 C ATOM 1648 O GLN A 133 2.799 9.559 -7.751 1.00 0.47 O ATOM 1649 CB GLN A 133 2.973 6.229 -7.782 1.00 0.58 C ATOM 1650 CG GLN A 133 4.264 5.610 -8.289 1.00 0.79 C ATOM 1651 CD GLN A 133 4.142 4.121 -8.543 1.00 0.65 C ATOM 1652 OE1 GLN A 133 4.745 3.586 -9.472 1.00 1.22 O ATOM 1653 NE2 GLN A 133 3.414 3.435 -7.677 1.00 0.31 N ATOM 0 H GLN A 133 2.515 6.068 -5.389 1.00 0.28 H new ATOM 0 HA GLN A 133 4.237 7.712 -6.919 1.00 0.38 H new ATOM 0 HB2 GLN A 133 2.387 5.464 -7.273 1.00 0.58 H new ATOM 0 HB3 GLN A 133 2.383 6.569 -8.633 1.00 0.58 H new ATOM 0 HG2 GLN A 133 4.562 6.108 -9.212 1.00 0.79 H new ATOM 0 HG3 GLN A 133 5.056 5.786 -7.561 1.00 0.79 H new ATOM 0 HE21 GLN A 133 2.930 3.919 -6.921 1.00 0.31 H new ATOM 0 HE22 GLN A 133 3.337 2.422 -7.765 1.00 0.31 H new