USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 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 390 SER OG : rot -78:sc= 2.25 USER MOD Set 1.2: A 394 LYS NZ :NH3+ -106:sc= 1.17 (180deg=0) USER MOD Single : A 342 ASN : amide:sc= -0.0671 X(o=-0.067,f=-0.088) USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 349 TYR OH : rot 180:sc= 0 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 355 LYS NZ :NH3+ 137:sc= 1.23 (180deg=-0.00327) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 SER OG : rot -66:sc= 1.29 USER MOD Single : A 360 THR OG1 : rot -44:sc= 0.589 USER MOD Single : A 365 MET CE :methyl -120:sc= -0.175 (180deg=-0.668) USER MOD Single : A 368 ASN : amide:sc=-0.00264 K(o=-0.0026,f=-1.4) USER MOD Single : A 371 TYR OH : rot 31:sc= -1.05 USER MOD Single : A 372 ASN : amide:sc= -0.797 K(o=-0.8,f=-0.21) USER MOD Single : A 376 SER OG : rot 91:sc= 1.21 USER MOD Single : A 377 ASN : amide:sc= 0.49 X(o=0.49,f=0) USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 ASN : amide:sc= -1.34 K(o=-1.3,f=-4!) USER MOD Single : A 385 THR OG1 : rot 180:sc= 0 USER MOD Single : A 386 SER OG : rot 180:sc= 0 USER MOD Single : A 387 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 389 GLN : amide:sc= -2.7! K(o=-2.7!,f=-0.069) USER MOD Single : A 395 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 396 SER OG : rot 76:sc= 0.705 USER MOD Single : A 399 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 400 ASN : amide:sc= -0.0283 K(o=-0.028,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -1.907 -15.372 11.001 1.00 42.01 N ATOM 2 CA ASN A 342 -1.366 -14.187 10.318 1.00 21.34 C ATOM 3 C ASN A 342 -1.423 -13.018 11.268 1.00 72.12 C ATOM 4 O ASN A 342 -2.292 -12.981 12.124 1.00 63.30 O ATOM 5 CB ASN A 342 -2.186 -13.862 9.065 1.00 44.54 C ATOM 6 CG ASN A 342 -2.239 -14.997 8.073 1.00 71.05 C ATOM 7 OD1 ASN A 342 -1.378 -15.115 7.204 1.00 13.30 O ATOM 8 ND2 ASN A 342 -3.263 -15.821 8.171 1.00 73.34 N ATOM 0 HA ASN A 342 -0.338 -14.386 10.015 1.00 21.34 H new ATOM 0 HB2 ASN A 342 -3.202 -13.601 9.362 1.00 44.54 H new ATOM 0 HB3 ASN A 342 -1.761 -12.984 8.579 1.00 44.54 H new ATOM 0 HD21 ASN A 342 -3.362 -16.592 7.510 1.00 73.34 H new ATOM 0 HD22 ASN A 342 -3.956 -15.688 8.907 1.00 73.34 H new ATOM 17 N PRO A 343 -0.504 -12.028 11.140 1.00 1.31 N ATOM 18 CA PRO A 343 -0.463 -10.864 12.052 1.00 62.51 C ATOM 19 C PRO A 343 -1.711 -9.972 11.936 1.00 12.22 C ATOM 20 O PRO A 343 -2.085 -9.282 12.876 1.00 40.22 O ATOM 21 CB PRO A 343 0.793 -10.097 11.597 1.00 71.33 C ATOM 22 CG PRO A 343 0.994 -10.516 10.180 1.00 73.34 C ATOM 23 CD PRO A 343 0.580 -11.959 10.124 1.00 1.43 C ATOM 0 HA PRO A 343 -0.438 -11.172 13.097 1.00 62.51 H new ATOM 0 HB2 PRO A 343 0.650 -9.019 11.676 1.00 71.33 H new ATOM 0 HB3 PRO A 343 1.657 -10.350 12.212 1.00 71.33 H new ATOM 0 HG2 PRO A 343 0.393 -9.909 9.503 1.00 73.34 H new ATOM 0 HG3 PRO A 343 2.035 -10.395 9.879 1.00 73.34 H new ATOM 0 HD2 PRO A 343 0.224 -12.240 9.133 1.00 1.43 H new ATOM 0 HD3 PRO A 343 1.406 -12.627 10.367 1.00 1.43 H new ATOM 31 N TRP A 344 -2.334 -10.003 10.790 1.00 33.20 N ATOM 32 CA TRP A 344 -3.506 -9.194 10.521 1.00 0.13 C ATOM 33 C TRP A 344 -4.816 -9.938 10.795 1.00 43.55 C ATOM 34 O TRP A 344 -5.818 -9.322 11.157 1.00 12.45 O ATOM 35 CB TRP A 344 -3.460 -8.699 9.077 1.00 13.21 C ATOM 36 CG TRP A 344 -3.169 -9.793 8.089 1.00 11.30 C ATOM 37 CD1 TRP A 344 -4.001 -10.796 7.701 1.00 24.30 C ATOM 38 CD2 TRP A 344 -1.965 -9.974 7.339 1.00 22.00 C ATOM 39 NE1 TRP A 344 -3.371 -11.598 6.813 1.00 2.03 N ATOM 40 CE2 TRP A 344 -2.135 -11.110 6.563 1.00 65.24 C ATOM 41 CE3 TRP A 344 -0.761 -9.291 7.256 1.00 21.42 C ATOM 42 CZ2 TRP A 344 -1.158 -11.575 5.728 1.00 42.42 C ATOM 43 CZ3 TRP A 344 0.207 -9.758 6.414 1.00 13.01 C ATOM 44 CH2 TRP A 344 -0.001 -10.889 5.661 1.00 53.21 C ATOM 0 H TRP A 344 -2.047 -10.591 10.008 1.00 33.20 H new ATOM 0 HA TRP A 344 -3.486 -8.346 11.205 1.00 0.13 H new ATOM 0 HB2 TRP A 344 -4.415 -8.236 8.827 1.00 13.21 H new ATOM 0 HB3 TRP A 344 -2.698 -7.925 8.988 1.00 13.21 H new ATOM 0 HD1 TRP A 344 -5.014 -10.932 8.050 1.00 24.30 H new ATOM 0 HE1 TRP A 344 -3.767 -12.441 6.396 1.00 2.03 H new ATOM 0 HE3 TRP A 344 -0.592 -8.404 7.848 1.00 21.42 H new ATOM 0 HZ2 TRP A 344 -1.310 -12.467 5.139 1.00 42.42 H new ATOM 0 HZ3 TRP A 344 1.147 -9.232 6.339 1.00 13.01 H new ATOM 0 HH2 TRP A 344 0.781 -11.235 5.001 1.00 53.21 H new ATOM 55 N GLY A 345 -4.821 -11.237 10.596 1.00 13.15 N ATOM 56 CA GLY A 345 -6.028 -11.979 10.790 1.00 64.43 C ATOM 57 C GLY A 345 -6.019 -13.311 10.089 1.00 41.12 C ATOM 58 O GLY A 345 -5.038 -14.058 10.152 1.00 23.21 O ATOM 0 H GLY A 345 -4.013 -11.787 10.305 1.00 13.15 H new ATOM 0 HA2 GLY A 345 -6.183 -12.137 11.857 1.00 64.43 H new ATOM 0 HA3 GLY A 345 -6.872 -11.391 10.429 1.00 64.43 H new ATOM 62 N ALA A 346 -7.088 -13.575 9.372 1.00 23.41 N ATOM 63 CA ALA A 346 -7.308 -14.851 8.733 1.00 41.21 C ATOM 64 C ALA A 346 -6.787 -14.910 7.298 1.00 43.43 C ATOM 65 O ALA A 346 -6.351 -15.974 6.853 1.00 4.04 O ATOM 66 CB ALA A 346 -8.785 -15.210 8.777 1.00 55.52 C ATOM 0 H ALA A 346 -7.837 -12.901 9.215 1.00 23.41 H new ATOM 0 HA ALA A 346 -6.732 -15.585 9.297 1.00 41.21 H new ATOM 0 HB1 ALA A 346 -8.940 -16.174 8.292 1.00 55.52 H new ATOM 0 HB2 ALA A 346 -9.115 -15.268 9.814 1.00 55.52 H new ATOM 0 HB3 ALA A 346 -9.361 -14.445 8.256 1.00 55.52 H new ATOM 72 N GLU A 347 -6.830 -13.784 6.568 1.00 61.03 N ATOM 73 CA GLU A 347 -6.387 -13.773 5.155 1.00 73.03 C ATOM 74 C GLU A 347 -4.895 -14.030 5.027 1.00 45.44 C ATOM 75 O GLU A 347 -4.180 -13.987 6.002 1.00 53.12 O ATOM 76 CB GLU A 347 -6.755 -12.477 4.446 1.00 54.44 C ATOM 77 CG GLU A 347 -8.240 -12.215 4.376 1.00 22.34 C ATOM 78 CD GLU A 347 -8.562 -11.019 3.527 1.00 12.42 C ATOM 79 OE1 GLU A 347 -8.416 -9.891 4.005 1.00 2.14 O ATOM 80 OE2 GLU A 347 -8.961 -11.194 2.353 1.00 74.01 O ATOM 0 H GLU A 347 -7.159 -12.884 6.919 1.00 61.03 H new ATOM 0 HA GLU A 347 -6.920 -14.589 4.666 1.00 73.03 H new ATOM 0 HB2 GLU A 347 -6.274 -11.645 4.959 1.00 54.44 H new ATOM 0 HB3 GLU A 347 -6.353 -12.502 3.433 1.00 54.44 H new ATOM 0 HG2 GLU A 347 -8.744 -13.093 3.972 1.00 22.34 H new ATOM 0 HG3 GLU A 347 -8.628 -12.060 5.383 1.00 22.34 H new ATOM 87 N SER A 348 -4.429 -14.277 3.832 1.00 14.14 N ATOM 88 CA SER A 348 -3.041 -14.566 3.629 1.00 20.21 C ATOM 89 C SER A 348 -2.322 -13.325 3.190 1.00 21.54 C ATOM 90 O SER A 348 -2.956 -12.294 2.903 1.00 15.44 O ATOM 91 CB SER A 348 -2.873 -15.654 2.571 1.00 64.41 C ATOM 92 OG SER A 348 -3.500 -16.858 2.968 1.00 40.02 O ATOM 0 H SER A 348 -4.995 -14.283 2.984 1.00 14.14 H new ATOM 0 HA SER A 348 -2.618 -14.919 4.569 1.00 20.21 H new ATOM 0 HB2 SER A 348 -3.298 -15.314 1.626 1.00 64.41 H new ATOM 0 HB3 SER A 348 -1.812 -15.834 2.397 1.00 64.41 H new ATOM 0 HG SER A 348 -3.378 -17.536 2.271 1.00 40.02 H new ATOM 98 N TYR A 349 -1.003 -13.418 3.143 1.00 30.32 N ATOM 99 CA TYR A 349 -0.163 -12.350 2.686 1.00 13.14 C ATOM 100 C TYR A 349 -0.577 -11.964 1.315 1.00 74.53 C ATOM 101 O TYR A 349 -1.011 -10.858 1.110 1.00 63.35 O ATOM 102 CB TYR A 349 1.331 -12.753 2.700 1.00 23.01 C ATOM 103 CG TYR A 349 1.907 -13.027 4.073 1.00 32.02 C ATOM 104 CD1 TYR A 349 1.588 -14.186 4.772 1.00 32.50 C ATOM 105 CD2 TYR A 349 2.766 -12.112 4.677 1.00 72.12 C ATOM 106 CE1 TYR A 349 2.105 -14.427 6.026 1.00 44.01 C ATOM 107 CE2 TYR A 349 3.286 -12.349 5.935 1.00 41.32 C ATOM 108 CZ TYR A 349 2.951 -13.508 6.607 1.00 11.03 C ATOM 109 OH TYR A 349 3.468 -13.752 7.867 1.00 61.10 O ATOM 0 H TYR A 349 -0.490 -14.253 3.427 1.00 30.32 H new ATOM 0 HA TYR A 349 -0.277 -11.504 3.363 1.00 13.14 H new ATOM 0 HB2 TYR A 349 1.457 -13.644 2.085 1.00 23.01 H new ATOM 0 HB3 TYR A 349 1.911 -11.958 2.231 1.00 23.01 H new ATOM 0 HD1 TYR A 349 0.923 -14.910 4.324 1.00 32.50 H new ATOM 0 HD2 TYR A 349 3.029 -11.204 4.155 1.00 72.12 H new ATOM 0 HE1 TYR A 349 1.848 -15.334 6.552 1.00 44.01 H new ATOM 0 HE2 TYR A 349 3.952 -11.631 6.391 1.00 41.32 H new ATOM 0 HH TYR A 349 4.047 -13.008 8.133 1.00 61.10 H new ATOM 119 N SER A 350 -0.499 -12.907 0.391 1.00 1.31 N ATOM 120 CA SER A 350 -0.855 -12.666 -0.994 1.00 45.54 C ATOM 121 C SER A 350 -2.275 -12.076 -1.135 1.00 2.33 C ATOM 122 O SER A 350 -2.511 -11.259 -2.019 1.00 52.23 O ATOM 123 CB SER A 350 -0.721 -13.941 -1.783 1.00 14.14 C ATOM 124 OG SER A 350 0.574 -14.494 -1.617 1.00 22.43 O ATOM 0 H SER A 350 -0.187 -13.859 0.581 1.00 1.31 H new ATOM 0 HA SER A 350 -0.166 -11.922 -1.394 1.00 45.54 H new ATOM 0 HB2 SER A 350 -1.474 -14.658 -1.456 1.00 14.14 H new ATOM 0 HB3 SER A 350 -0.906 -13.743 -2.839 1.00 14.14 H new ATOM 0 HG SER A 350 0.644 -15.323 -2.135 1.00 22.43 H new ATOM 130 N ASP A 351 -3.205 -12.473 -0.240 1.00 32.34 N ATOM 131 CA ASP A 351 -4.566 -11.903 -0.250 1.00 35.14 C ATOM 132 C ASP A 351 -4.523 -10.418 -0.042 1.00 54.34 C ATOM 133 O ASP A 351 -5.119 -9.657 -0.793 1.00 54.33 O ATOM 134 CB ASP A 351 -5.485 -12.516 0.815 1.00 1.32 C ATOM 135 CG ASP A 351 -5.895 -13.921 0.532 1.00 1.00 C ATOM 136 OD1 ASP A 351 -6.651 -14.146 -0.432 1.00 61.33 O ATOM 137 OD2 ASP A 351 -5.510 -14.820 1.293 1.00 12.41 O ATOM 0 H ASP A 351 -3.042 -13.172 0.485 1.00 32.34 H new ATOM 0 HA ASP A 351 -4.977 -12.142 -1.231 1.00 35.14 H new ATOM 0 HB2 ASP A 351 -4.977 -12.485 1.779 1.00 1.32 H new ATOM 0 HB3 ASP A 351 -6.379 -11.900 0.906 1.00 1.32 H new ATOM 142 N LEU A 352 -3.836 -9.998 0.986 1.00 11.33 N ATOM 143 CA LEU A 352 -3.729 -8.594 1.274 1.00 73.25 C ATOM 144 C LEU A 352 -2.751 -7.867 0.358 1.00 63.14 C ATOM 145 O LEU A 352 -2.991 -6.720 -0.014 1.00 75.30 O ATOM 146 CB LEU A 352 -3.379 -8.367 2.706 1.00 55.14 C ATOM 147 CG LEU A 352 -4.402 -8.788 3.740 1.00 21.23 C ATOM 148 CD1 LEU A 352 -3.918 -8.391 5.090 1.00 54.22 C ATOM 149 CD2 LEU A 352 -5.744 -8.159 3.455 1.00 71.44 C ATOM 0 H LEU A 352 -3.342 -10.608 1.638 1.00 11.33 H new ATOM 0 HA LEU A 352 -4.713 -8.167 1.079 1.00 73.25 H new ATOM 0 HB2 LEU A 352 -2.449 -8.896 2.915 1.00 55.14 H new ATOM 0 HB3 LEU A 352 -3.179 -7.304 2.841 1.00 55.14 H new ATOM 0 HG LEU A 352 -4.528 -9.870 3.700 1.00 21.23 H new ATOM 0 HD11 LEU A 352 -4.649 -8.690 5.841 1.00 54.22 H new ATOM 0 HD12 LEU A 352 -2.966 -8.881 5.294 1.00 54.22 H new ATOM 0 HD13 LEU A 352 -3.784 -7.310 5.125 1.00 54.22 H new ATOM 0 HD21 LEU A 352 -6.462 -8.476 4.211 1.00 71.44 H new ATOM 0 HD22 LEU A 352 -5.649 -7.073 3.477 1.00 71.44 H new ATOM 0 HD23 LEU A 352 -6.091 -8.473 2.470 1.00 71.44 H new ATOM 161 N ILE A 353 -1.660 -8.532 -0.002 1.00 20.00 N ATOM 162 CA ILE A 353 -0.663 -7.952 -0.902 1.00 24.51 C ATOM 163 C ILE A 353 -1.328 -7.581 -2.222 1.00 23.31 C ATOM 164 O ILE A 353 -1.128 -6.485 -2.743 1.00 54.12 O ATOM 165 CB ILE A 353 0.520 -8.931 -1.183 1.00 72.31 C ATOM 166 CG1 ILE A 353 1.273 -9.298 0.109 1.00 54.34 C ATOM 167 CG2 ILE A 353 1.479 -8.313 -2.171 1.00 71.45 C ATOM 168 CD1 ILE A 353 2.326 -10.383 -0.075 1.00 52.23 C ATOM 0 H ILE A 353 -1.440 -9.476 0.315 1.00 20.00 H new ATOM 0 HA ILE A 353 -0.255 -7.067 -0.413 1.00 24.51 H new ATOM 0 HB ILE A 353 0.100 -9.846 -1.601 1.00 72.31 H new ATOM 0 HG12 ILE A 353 1.753 -8.403 0.504 1.00 54.34 H new ATOM 0 HG13 ILE A 353 0.552 -9.629 0.856 1.00 54.34 H new ATOM 0 HG21 ILE A 353 2.301 -9.003 -2.361 1.00 71.45 H new ATOM 0 HG22 ILE A 353 0.956 -8.106 -3.105 1.00 71.45 H new ATOM 0 HG23 ILE A 353 1.874 -7.383 -1.762 1.00 71.45 H new ATOM 0 HD11 ILE A 353 2.811 -10.585 0.880 1.00 52.23 H new ATOM 0 HD12 ILE A 353 1.850 -11.293 -0.440 1.00 52.23 H new ATOM 0 HD13 ILE A 353 3.071 -10.048 -0.797 1.00 52.23 H new ATOM 180 N ALA A 354 -2.145 -8.497 -2.741 1.00 71.04 N ATOM 181 CA ALA A 354 -2.863 -8.255 -3.976 1.00 74.33 C ATOM 182 C ALA A 354 -3.773 -7.050 -3.845 1.00 15.25 C ATOM 183 O ALA A 354 -3.826 -6.241 -4.739 1.00 75.03 O ATOM 184 CB ALA A 354 -3.652 -9.475 -4.418 1.00 62.30 C ATOM 0 H ALA A 354 -2.321 -9.410 -2.321 1.00 71.04 H new ATOM 0 HA ALA A 354 -2.121 -8.046 -4.746 1.00 74.33 H new ATOM 0 HB1 ALA A 354 -4.176 -9.252 -5.348 1.00 62.30 H new ATOM 0 HB2 ALA A 354 -2.971 -10.311 -4.577 1.00 62.30 H new ATOM 0 HB3 ALA A 354 -4.376 -9.739 -3.647 1.00 62.30 H new ATOM 190 N LYS A 355 -4.461 -6.926 -2.700 1.00 61.50 N ATOM 191 CA LYS A 355 -5.357 -5.785 -2.453 1.00 22.30 C ATOM 192 C LYS A 355 -4.590 -4.474 -2.483 1.00 12.01 C ATOM 193 O LYS A 355 -5.100 -3.457 -2.968 1.00 2.32 O ATOM 194 CB LYS A 355 -6.061 -5.895 -1.111 1.00 64.14 C ATOM 195 CG LYS A 355 -6.946 -7.051 -0.936 1.00 21.23 C ATOM 196 CD LYS A 355 -7.518 -6.986 0.438 1.00 52.11 C ATOM 197 CE LYS A 355 -8.541 -8.027 0.647 1.00 43.01 C ATOM 198 NZ LYS A 355 -8.002 -9.407 0.500 1.00 55.32 N ATOM 0 H LYS A 355 -4.415 -7.598 -1.934 1.00 61.50 H new ATOM 0 HA LYS A 355 -6.101 -5.802 -3.249 1.00 22.30 H new ATOM 0 HB2 LYS A 355 -5.303 -5.922 -0.328 1.00 64.14 H new ATOM 0 HB3 LYS A 355 -6.647 -4.989 -0.956 1.00 64.14 H new ATOM 0 HG2 LYS A 355 -7.741 -7.039 -1.681 1.00 21.23 H new ATOM 0 HG3 LYS A 355 -6.393 -7.980 -1.075 1.00 21.23 H new ATOM 0 HD2 LYS A 355 -6.720 -7.106 1.171 1.00 52.11 H new ATOM 0 HD3 LYS A 355 -7.959 -6.003 0.604 1.00 52.11 H new ATOM 0 HE2 LYS A 355 -8.969 -7.914 1.643 1.00 43.01 H new ATOM 0 HE3 LYS A 355 -9.352 -7.881 -0.067 1.00 43.01 H new ATOM 0 HZ1 LYS A 355 -8.380 -10.010 1.258 1.00 55.32 H new ATOM 0 HZ2 LYS A 355 -8.285 -9.794 -0.423 1.00 55.32 H new ATOM 0 HZ3 LYS A 355 -6.964 -9.383 0.562 1.00 55.32 H new ATOM 212 N ALA A 356 -3.372 -4.494 -1.954 1.00 43.32 N ATOM 213 CA ALA A 356 -2.535 -3.315 -1.961 1.00 60.34 C ATOM 214 C ALA A 356 -2.210 -2.952 -3.377 1.00 21.23 C ATOM 215 O ALA A 356 -2.480 -1.834 -3.810 1.00 13.41 O ATOM 216 CB ALA A 356 -1.263 -3.535 -1.146 1.00 41.33 C ATOM 0 H ALA A 356 -2.949 -5.314 -1.518 1.00 43.32 H new ATOM 0 HA ALA A 356 -3.076 -2.492 -1.494 1.00 60.34 H new ATOM 0 HB1 ALA A 356 -0.654 -2.631 -1.170 1.00 41.33 H new ATOM 0 HB2 ALA A 356 -1.527 -3.767 -0.114 1.00 41.33 H new ATOM 0 HB3 ALA A 356 -0.698 -4.364 -1.571 1.00 41.33 H new ATOM 222 N LEU A 357 -1.698 -3.918 -4.115 1.00 0.12 N ATOM 223 CA LEU A 357 -1.378 -3.731 -5.523 1.00 72.35 C ATOM 224 C LEU A 357 -2.609 -3.281 -6.297 1.00 30.03 C ATOM 225 O LEU A 357 -2.519 -2.419 -7.144 1.00 43.35 O ATOM 226 CB LEU A 357 -0.835 -5.031 -6.149 1.00 44.34 C ATOM 227 CG LEU A 357 0.657 -5.326 -6.012 1.00 2.20 C ATOM 228 CD1 LEU A 357 1.451 -4.347 -6.858 1.00 70.54 C ATOM 229 CD2 LEU A 357 1.099 -5.244 -4.572 1.00 61.50 C ATOM 0 H LEU A 357 -1.492 -4.852 -3.760 1.00 0.12 H new ATOM 0 HA LEU A 357 -0.608 -2.962 -5.583 1.00 72.35 H new ATOM 0 HB2 LEU A 357 -1.382 -5.866 -5.711 1.00 44.34 H new ATOM 0 HB3 LEU A 357 -1.076 -5.015 -7.212 1.00 44.34 H new ATOM 0 HG LEU A 357 0.840 -6.342 -6.362 1.00 2.20 H new ATOM 0 HD11 LEU A 357 2.515 -4.560 -6.758 1.00 70.54 H new ATOM 0 HD12 LEU A 357 1.157 -4.447 -7.903 1.00 70.54 H new ATOM 0 HD13 LEU A 357 1.251 -3.330 -6.521 1.00 70.54 H new ATOM 0 HD21 LEU A 357 2.166 -5.459 -4.506 1.00 61.50 H new ATOM 0 HD22 LEU A 357 0.906 -4.242 -4.189 1.00 61.50 H new ATOM 0 HD23 LEU A 357 0.545 -5.972 -3.979 1.00 61.50 H new ATOM 241 N LYS A 358 -3.772 -3.851 -5.944 1.00 52.42 N ATOM 242 CA LYS A 358 -5.048 -3.564 -6.591 1.00 30.24 C ATOM 243 C LYS A 358 -5.408 -2.090 -6.616 1.00 11.54 C ATOM 244 O LYS A 358 -6.138 -1.647 -7.499 1.00 14.11 O ATOM 245 CB LYS A 358 -6.183 -4.342 -5.928 1.00 1.42 C ATOM 246 CG LYS A 358 -6.329 -5.786 -6.404 1.00 51.23 C ATOM 247 CD LYS A 358 -7.194 -5.927 -7.680 1.00 70.13 C ATOM 248 CE LYS A 358 -6.656 -5.152 -8.874 1.00 64.23 C ATOM 249 NZ LYS A 358 -7.509 -5.296 -10.070 1.00 12.12 N ATOM 0 H LYS A 358 -3.846 -4.533 -5.189 1.00 52.42 H new ATOM 0 HA LYS A 358 -4.921 -3.883 -7.626 1.00 30.24 H new ATOM 0 HB2 LYS A 358 -6.023 -4.343 -4.850 1.00 1.42 H new ATOM 0 HB3 LYS A 358 -7.121 -3.817 -6.111 1.00 1.42 H new ATOM 0 HG2 LYS A 358 -5.339 -6.199 -6.597 1.00 51.23 H new ATOM 0 HG3 LYS A 358 -6.772 -6.381 -5.606 1.00 51.23 H new ATOM 0 HD2 LYS A 358 -7.265 -6.982 -7.945 1.00 70.13 H new ATOM 0 HD3 LYS A 358 -8.206 -5.584 -7.462 1.00 70.13 H new ATOM 0 HE2 LYS A 358 -6.577 -4.097 -8.613 1.00 64.23 H new ATOM 0 HE3 LYS A 358 -5.649 -5.500 -9.105 1.00 64.23 H new ATOM 0 HZ1 LYS A 358 -7.101 -4.750 -10.855 1.00 12.12 H new ATOM 0 HZ2 LYS A 358 -7.565 -6.299 -10.338 1.00 12.12 H new ATOM 0 HZ3 LYS A 358 -8.463 -4.940 -9.861 1.00 12.12 H new ATOM 263 N SER A 359 -4.885 -1.323 -5.673 1.00 74.14 N ATOM 264 CA SER A 359 -5.212 0.087 -5.600 1.00 75.51 C ATOM 265 C SER A 359 -4.580 0.897 -6.781 1.00 3.54 C ATOM 266 O SER A 359 -5.058 1.977 -7.134 1.00 35.53 O ATOM 267 CB SER A 359 -4.815 0.653 -4.215 1.00 64.11 C ATOM 268 OG SER A 359 -3.410 0.597 -3.990 1.00 2.40 O ATOM 0 H SER A 359 -4.239 -1.651 -4.955 1.00 74.14 H new ATOM 0 HA SER A 359 -6.291 0.196 -5.709 1.00 75.51 H new ATOM 0 HB2 SER A 359 -5.152 1.687 -4.137 1.00 64.11 H new ATOM 0 HB3 SER A 359 -5.328 0.091 -3.435 1.00 64.11 H new ATOM 0 HG SER A 359 -3.125 -0.339 -3.931 1.00 2.40 H new ATOM 274 N THR A 360 -3.542 0.342 -7.401 1.00 14.21 N ATOM 275 CA THR A 360 -2.835 1.005 -8.502 1.00 32.21 C ATOM 276 C THR A 360 -2.273 -0.083 -9.451 1.00 31.21 C ATOM 277 O THR A 360 -1.253 0.106 -10.139 1.00 12.44 O ATOM 278 CB THR A 360 -1.666 1.864 -7.925 1.00 74.33 C ATOM 279 OG1 THR A 360 -0.997 2.587 -8.978 1.00 15.44 O ATOM 280 CG2 THR A 360 -0.663 0.970 -7.226 1.00 54.32 C ATOM 0 H THR A 360 -3.166 -0.575 -7.159 1.00 14.21 H new ATOM 0 HA THR A 360 -3.515 1.657 -9.050 1.00 32.21 H new ATOM 0 HB THR A 360 -2.086 2.576 -7.214 1.00 74.33 H new ATOM 0 HG1 THR A 360 -0.850 1.991 -9.742 1.00 15.44 H new ATOM 0 HG21 THR A 360 0.149 1.577 -6.826 1.00 54.32 H new ATOM 0 HG22 THR A 360 -1.155 0.440 -6.410 1.00 54.32 H new ATOM 0 HG23 THR A 360 -0.261 0.249 -7.937 1.00 54.32 H new ATOM 288 N PHE A 361 -3.019 -1.160 -9.543 1.00 34.42 N ATOM 289 CA PHE A 361 -2.619 -2.417 -10.192 1.00 41.05 C ATOM 290 C PHE A 361 -2.354 -2.249 -11.672 1.00 35.42 C ATOM 291 O PHE A 361 -1.653 -3.053 -12.294 1.00 31.13 O ATOM 292 CB PHE A 361 -3.749 -3.399 -10.007 1.00 33.20 C ATOM 293 CG PHE A 361 -3.381 -4.834 -10.165 1.00 11.12 C ATOM 294 CD1 PHE A 361 -2.912 -5.525 -9.080 1.00 61.41 C ATOM 295 CD2 PHE A 361 -3.525 -5.497 -11.371 1.00 51.32 C ATOM 296 CE1 PHE A 361 -2.586 -6.839 -9.167 1.00 75.31 C ATOM 297 CE2 PHE A 361 -3.193 -6.830 -11.478 1.00 44.44 C ATOM 298 CZ PHE A 361 -2.721 -7.507 -10.370 1.00 50.34 C ATOM 0 H PHE A 361 -3.962 -1.200 -9.156 1.00 34.42 H new ATOM 0 HA PHE A 361 -1.691 -2.763 -9.738 1.00 41.05 H new ATOM 0 HB2 PHE A 361 -4.172 -3.257 -9.012 1.00 33.20 H new ATOM 0 HB3 PHE A 361 -4.535 -3.162 -10.724 1.00 33.20 H new ATOM 0 HD1 PHE A 361 -2.799 -5.013 -8.136 1.00 61.41 H new ATOM 0 HD2 PHE A 361 -3.900 -4.966 -12.234 1.00 51.32 H new ATOM 0 HE1 PHE A 361 -2.221 -7.363 -8.296 1.00 75.31 H new ATOM 0 HE2 PHE A 361 -3.301 -7.343 -12.422 1.00 44.44 H new ATOM 0 HZ PHE A 361 -2.459 -8.552 -10.443 1.00 50.34 H new ATOM 308 N ASP A 362 -2.888 -1.214 -12.231 1.00 11.33 N ATOM 309 CA ASP A 362 -2.751 -0.995 -13.659 1.00 53.23 C ATOM 310 C ASP A 362 -1.511 -0.207 -13.969 1.00 73.14 C ATOM 311 O ASP A 362 -1.213 0.094 -15.125 1.00 24.25 O ATOM 312 CB ASP A 362 -4.009 -0.383 -14.281 1.00 43.32 C ATOM 313 CG ASP A 362 -5.195 -1.322 -14.199 1.00 50.15 C ATOM 314 OD1 ASP A 362 -5.296 -2.263 -15.045 1.00 10.42 O ATOM 315 OD2 ASP A 362 -6.027 -1.167 -13.278 1.00 4.10 O ATOM 0 H ASP A 362 -3.424 -0.501 -11.736 1.00 11.33 H new ATOM 0 HA ASP A 362 -2.637 -1.972 -14.128 1.00 53.23 H new ATOM 0 HB2 ASP A 362 -4.249 0.550 -13.771 1.00 43.32 H new ATOM 0 HB3 ASP A 362 -3.814 -0.135 -15.324 1.00 43.32 H new ATOM 320 N GLY A 363 -0.784 0.111 -12.933 1.00 3.21 N ATOM 321 CA GLY A 363 0.474 0.754 -13.066 1.00 41.10 C ATOM 322 C GLY A 363 1.533 -0.067 -12.379 1.00 72.00 C ATOM 323 O GLY A 363 1.977 -1.100 -12.911 1.00 3.20 O ATOM 0 H GLY A 363 -1.059 -0.075 -11.969 1.00 3.21 H new ATOM 0 HA2 GLY A 363 0.722 0.877 -14.120 1.00 41.10 H new ATOM 0 HA3 GLY A 363 0.432 1.752 -12.629 1.00 41.10 H new ATOM 327 N ARG A 364 1.913 0.363 -11.197 1.00 21.24 N ATOM 328 CA ARG A 364 2.911 -0.295 -10.387 1.00 33.11 C ATOM 329 C ARG A 364 2.717 0.164 -8.963 1.00 70.24 C ATOM 330 O ARG A 364 2.108 1.210 -8.749 1.00 42.34 O ATOM 331 CB ARG A 364 4.289 0.142 -10.869 1.00 24.43 C ATOM 332 CG ARG A 364 4.448 1.655 -10.829 1.00 23.31 C ATOM 333 CD ARG A 364 5.757 2.126 -11.382 1.00 22.43 C ATOM 334 NE ARG A 364 5.951 1.739 -12.786 1.00 63.15 N ATOM 335 CZ ARG A 364 6.665 2.439 -13.676 1.00 63.13 C ATOM 336 NH1 ARG A 364 7.170 3.630 -13.353 1.00 72.32 N ATOM 337 NH2 ARG A 364 6.840 1.961 -14.890 1.00 72.03 N ATOM 0 H ARG A 364 1.526 1.201 -10.762 1.00 21.24 H new ATOM 0 HA ARG A 364 2.823 -1.379 -10.456 1.00 33.11 H new ATOM 0 HB2 ARG A 364 5.055 -0.321 -10.247 1.00 24.43 H new ATOM 0 HB3 ARG A 364 4.448 -0.213 -11.887 1.00 24.43 H new ATOM 0 HG2 ARG A 364 3.636 2.114 -11.393 1.00 23.31 H new ATOM 0 HG3 ARG A 364 4.352 1.997 -9.798 1.00 23.31 H new ATOM 0 HD2 ARG A 364 5.813 3.211 -11.297 1.00 22.43 H new ATOM 0 HD3 ARG A 364 6.569 1.717 -10.781 1.00 22.43 H new ATOM 0 HE ARG A 364 5.511 0.876 -13.105 1.00 63.15 H new ATOM 0 HH11 ARG A 364 7.013 4.015 -12.421 1.00 72.32 H new ATOM 0 HH12 ARG A 364 7.713 4.156 -14.038 1.00 72.32 H new ATOM 0 HH21 ARG A 364 6.433 1.062 -15.148 1.00 72.03 H new ATOM 0 HH22 ARG A 364 7.383 2.489 -15.573 1.00 72.03 H new ATOM 351 N MET A 365 3.191 -0.584 -8.003 1.00 64.33 N ATOM 352 CA MET A 365 3.129 -0.111 -6.641 1.00 71.25 C ATOM 353 C MET A 365 4.490 -0.223 -6.064 1.00 53.13 C ATOM 354 O MET A 365 5.189 -1.223 -6.293 1.00 63.23 O ATOM 355 CB MET A 365 2.145 -0.910 -5.782 1.00 32.13 C ATOM 356 CG MET A 365 1.730 -0.185 -4.530 1.00 52.31 C ATOM 357 SD MET A 365 0.453 -1.017 -3.616 1.00 33.33 S ATOM 358 CE MET A 365 0.100 0.218 -2.380 1.00 2.34 C ATOM 0 H MET A 365 3.616 -1.503 -8.130 1.00 64.33 H new ATOM 0 HA MET A 365 2.774 0.920 -6.648 1.00 71.25 H new ATOM 0 HB2 MET A 365 1.258 -1.138 -6.373 1.00 32.13 H new ATOM 0 HB3 MET A 365 2.600 -1.862 -5.509 1.00 32.13 H new ATOM 0 HG2 MET A 365 2.601 -0.059 -3.888 1.00 52.31 H new ATOM 0 HG3 MET A 365 1.383 0.813 -4.796 1.00 52.31 H new ATOM 0 HE1 MET A 365 0.287 -0.195 -1.389 1.00 2.34 H new ATOM 0 HE2 MET A 365 0.742 1.085 -2.538 1.00 2.34 H new ATOM 0 HE3 MET A 365 -0.944 0.521 -2.456 1.00 2.34 H new ATOM 368 N ARG A 366 4.901 0.774 -5.358 1.00 55.02 N ATOM 369 CA ARG A 366 6.174 0.723 -4.746 1.00 41.24 C ATOM 370 C ARG A 366 6.127 -0.148 -3.545 1.00 31.10 C ATOM 371 O ARG A 366 5.129 -0.168 -2.817 1.00 3.52 O ATOM 372 CB ARG A 366 6.681 2.079 -4.430 1.00 63.52 C ATOM 373 CG ARG A 366 6.970 2.846 -5.686 1.00 62.32 C ATOM 374 CD ARG A 366 7.454 4.203 -5.385 1.00 62.34 C ATOM 375 NE ARG A 366 6.422 5.016 -4.741 1.00 73.42 N ATOM 376 CZ ARG A 366 6.603 6.234 -4.211 1.00 62.11 C ATOM 377 NH1 ARG A 366 7.795 6.829 -4.271 1.00 14.24 N ATOM 378 NH2 ARG A 366 5.578 6.859 -3.629 1.00 62.30 N ATOM 0 H ARG A 366 4.372 1.630 -5.193 1.00 55.02 H new ATOM 0 HA ARG A 366 6.881 0.287 -5.452 1.00 41.24 H new ATOM 0 HB2 ARG A 366 5.946 2.617 -3.831 1.00 63.52 H new ATOM 0 HB3 ARG A 366 7.587 2.002 -3.829 1.00 63.52 H new ATOM 0 HG2 ARG A 366 7.716 2.314 -6.276 1.00 62.32 H new ATOM 0 HG3 ARG A 366 6.067 2.906 -6.294 1.00 62.32 H new ATOM 0 HD2 ARG A 366 8.327 4.142 -4.735 1.00 62.34 H new ATOM 0 HD3 ARG A 366 7.776 4.687 -6.307 1.00 62.34 H new ATOM 0 HE ARG A 366 5.483 4.622 -4.691 1.00 73.42 H new ATOM 0 HH11 ARG A 366 8.578 6.357 -4.723 1.00 14.24 H new ATOM 0 HH12 ARG A 366 7.923 7.756 -3.865 1.00 14.24 H new ATOM 0 HH21 ARG A 366 4.663 6.410 -3.589 1.00 62.30 H new ATOM 0 HH22 ARG A 366 5.709 7.786 -3.224 1.00 62.30 H new ATOM 392 N LEU A 367 7.178 -0.863 -3.342 1.00 14.42 N ATOM 393 CA LEU A 367 7.279 -1.839 -2.285 1.00 73.11 C ATOM 394 C LEU A 367 7.051 -1.207 -0.910 1.00 71.32 C ATOM 395 O LEU A 367 6.372 -1.777 -0.063 1.00 1.24 O ATOM 396 CB LEU A 367 8.618 -2.575 -2.426 1.00 22.42 C ATOM 397 CG LEU A 367 9.000 -3.648 -1.402 1.00 42.42 C ATOM 398 CD1 LEU A 367 7.857 -4.614 -1.134 1.00 52.02 C ATOM 399 CD2 LEU A 367 10.154 -4.430 -1.968 1.00 52.43 C ATOM 0 H LEU A 367 8.019 -0.792 -3.915 1.00 14.42 H new ATOM 0 HA LEU A 367 6.485 -2.580 -2.375 1.00 73.11 H new ATOM 0 HB2 LEU A 367 8.631 -3.043 -3.410 1.00 22.42 H new ATOM 0 HB3 LEU A 367 9.407 -1.823 -2.420 1.00 22.42 H new ATOM 0 HG LEU A 367 9.253 -3.156 -0.463 1.00 42.42 H new ATOM 0 HD11 LEU A 367 8.173 -5.357 -0.402 1.00 52.02 H new ATOM 0 HD12 LEU A 367 6.999 -4.064 -0.746 1.00 52.02 H new ATOM 0 HD13 LEU A 367 7.578 -5.114 -2.062 1.00 52.02 H new ATOM 0 HD21 LEU A 367 10.451 -5.204 -1.260 1.00 52.43 H new ATOM 0 HD22 LEU A 367 9.854 -4.893 -2.908 1.00 52.43 H new ATOM 0 HD23 LEU A 367 10.995 -3.760 -2.146 1.00 52.43 H new ATOM 411 N ASN A 368 7.555 -0.006 -0.735 1.00 61.21 N ATOM 412 CA ASN A 368 7.362 0.744 0.503 1.00 32.34 C ATOM 413 C ASN A 368 5.915 1.196 0.680 1.00 65.11 C ATOM 414 O ASN A 368 5.424 1.284 1.809 1.00 23.15 O ATOM 415 CB ASN A 368 8.345 1.925 0.618 1.00 1.23 C ATOM 416 CG ASN A 368 9.794 1.487 0.847 1.00 55.11 C ATOM 417 OD1 ASN A 368 10.213 0.404 0.431 1.00 54.10 O ATOM 418 ND2 ASN A 368 10.564 2.329 1.491 1.00 44.05 N ATOM 0 H ASN A 368 8.109 0.483 -1.438 1.00 61.21 H new ATOM 0 HA ASN A 368 7.584 0.060 1.322 1.00 32.34 H new ATOM 0 HB2 ASN A 368 8.293 2.522 -0.292 1.00 1.23 H new ATOM 0 HB3 ASN A 368 8.033 2.569 1.440 1.00 1.23 H new ATOM 0 HD21 ASN A 368 11.542 2.097 1.662 1.00 44.05 H new ATOM 0 HD22 ASN A 368 10.185 3.216 1.821 1.00 44.05 H new ATOM 425 N GLU A 369 5.220 1.430 -0.433 1.00 24.42 N ATOM 426 CA GLU A 369 3.822 1.862 -0.392 1.00 61.33 C ATOM 427 C GLU A 369 2.921 0.707 -0.008 1.00 13.30 C ATOM 428 O GLU A 369 1.931 0.895 0.681 1.00 33.15 O ATOM 429 CB GLU A 369 3.388 2.463 -1.714 1.00 15.22 C ATOM 430 CG GLU A 369 4.192 3.674 -2.103 1.00 42.41 C ATOM 431 CD GLU A 369 3.743 4.272 -3.399 1.00 43.33 C ATOM 432 OE1 GLU A 369 3.978 3.667 -4.458 1.00 24.22 O ATOM 433 OE2 GLU A 369 3.201 5.393 -3.381 1.00 13.01 O ATOM 0 H GLU A 369 5.601 1.328 -1.374 1.00 24.42 H new ATOM 0 HA GLU A 369 3.735 2.639 0.368 1.00 61.33 H new ATOM 0 HB2 GLU A 369 3.477 1.709 -2.496 1.00 15.22 H new ATOM 0 HB3 GLU A 369 2.335 2.737 -1.654 1.00 15.22 H new ATOM 0 HG2 GLU A 369 4.116 4.424 -1.316 1.00 42.41 H new ATOM 0 HG3 GLU A 369 5.244 3.398 -2.180 1.00 42.41 H new ATOM 440 N ILE A 370 3.267 -0.487 -0.474 1.00 34.24 N ATOM 441 CA ILE A 370 2.598 -1.721 -0.050 1.00 21.32 C ATOM 442 C ILE A 370 2.592 -1.829 1.478 1.00 5.25 C ATOM 443 O ILE A 370 1.560 -2.099 2.079 1.00 54.53 O ATOM 444 CB ILE A 370 3.325 -2.926 -0.674 1.00 42.33 C ATOM 445 CG1 ILE A 370 3.128 -2.877 -2.179 1.00 54.53 C ATOM 446 CG2 ILE A 370 2.879 -4.289 -0.084 1.00 31.44 C ATOM 447 CD1 ILE A 370 3.893 -3.904 -2.898 1.00 13.35 C ATOM 0 H ILE A 370 4.014 -0.632 -1.153 1.00 34.24 H new ATOM 0 HA ILE A 370 1.562 -1.708 -0.389 1.00 21.32 H new ATOM 0 HB ILE A 370 4.385 -2.850 -0.430 1.00 42.33 H new ATOM 0 HG12 ILE A 370 2.068 -2.999 -2.404 1.00 54.53 H new ATOM 0 HG13 ILE A 370 3.421 -1.893 -2.545 1.00 54.53 H new ATOM 0 HG21 ILE A 370 3.431 -5.094 -0.569 1.00 31.44 H new ATOM 0 HG22 ILE A 370 3.080 -4.305 0.987 1.00 31.44 H new ATOM 0 HG23 ILE A 370 1.811 -4.428 -0.255 1.00 31.44 H new ATOM 0 HD11 ILE A 370 3.707 -3.813 -3.968 1.00 13.35 H new ATOM 0 HD12 ILE A 370 4.957 -3.769 -2.702 1.00 13.35 H new ATOM 0 HD13 ILE A 370 3.584 -4.892 -2.558 1.00 13.35 H new ATOM 459 N TYR A 371 3.733 -1.560 2.099 1.00 41.32 N ATOM 460 CA TYR A 371 3.828 -1.593 3.564 1.00 23.31 C ATOM 461 C TYR A 371 2.930 -0.519 4.184 1.00 22.21 C ATOM 462 O TYR A 371 2.344 -0.710 5.247 1.00 34.43 O ATOM 463 CB TYR A 371 5.281 -1.420 4.037 1.00 3.54 C ATOM 464 CG TYR A 371 6.222 -2.458 3.488 1.00 31.23 C ATOM 465 CD1 TYR A 371 5.981 -3.811 3.643 1.00 21.40 C ATOM 466 CD2 TYR A 371 7.337 -2.081 2.792 1.00 31.00 C ATOM 467 CE1 TYR A 371 6.825 -4.735 3.107 1.00 24.12 C ATOM 468 CE2 TYR A 371 8.191 -3.002 2.260 1.00 54.12 C ATOM 469 CZ TYR A 371 7.924 -4.327 2.417 1.00 41.21 C ATOM 470 OH TYR A 371 8.754 -5.244 1.890 1.00 65.44 O ATOM 0 H TYR A 371 4.602 -1.318 1.622 1.00 41.32 H new ATOM 0 HA TYR A 371 3.484 -2.572 3.898 1.00 23.31 H new ATOM 0 HB2 TYR A 371 5.634 -0.431 3.745 1.00 3.54 H new ATOM 0 HB3 TYR A 371 5.307 -1.458 5.126 1.00 3.54 H new ATOM 0 HD1 TYR A 371 5.113 -4.138 4.196 1.00 21.40 H new ATOM 0 HD2 TYR A 371 7.546 -1.030 2.660 1.00 31.00 H new ATOM 0 HE1 TYR A 371 6.623 -5.789 3.229 1.00 24.12 H new ATOM 0 HE2 TYR A 371 9.070 -2.683 1.720 1.00 54.12 H new ATOM 0 HH TYR A 371 8.244 -6.045 1.646 1.00 65.44 H new ATOM 480 N ASN A 372 2.804 0.588 3.489 1.00 52.54 N ATOM 481 CA ASN A 372 1.966 1.694 3.942 1.00 42.01 C ATOM 482 C ASN A 372 0.485 1.341 3.811 1.00 11.22 C ATOM 483 O ASN A 372 -0.336 1.792 4.611 1.00 10.40 O ATOM 484 CB ASN A 372 2.276 2.992 3.174 1.00 1.03 C ATOM 485 CG ASN A 372 3.689 3.532 3.391 1.00 41.35 C ATOM 486 OD1 ASN A 372 4.278 4.134 2.488 1.00 33.20 O ATOM 487 ND2 ASN A 372 4.227 3.371 4.579 1.00 45.31 N ATOM 0 H ASN A 372 3.273 0.755 2.599 1.00 52.54 H new ATOM 0 HA ASN A 372 2.194 1.865 4.994 1.00 42.01 H new ATOM 0 HB2 ASN A 372 2.128 2.814 2.109 1.00 1.03 H new ATOM 0 HB3 ASN A 372 1.558 3.756 3.472 1.00 1.03 H new ATOM 0 HD21 ASN A 372 5.155 3.748 4.774 1.00 45.31 H new ATOM 0 HD22 ASN A 372 3.717 2.869 5.306 1.00 45.31 H new ATOM 494 N TRP A 373 0.146 0.523 2.807 1.00 55.13 N ATOM 495 CA TRP A 373 -1.234 0.080 2.592 1.00 43.15 C ATOM 496 C TRP A 373 -1.723 -0.698 3.793 1.00 35.41 C ATOM 497 O TRP A 373 -2.802 -0.413 4.326 1.00 14.44 O ATOM 498 CB TRP A 373 -1.353 -0.779 1.318 1.00 2.52 C ATOM 499 CG TRP A 373 -2.763 -1.271 1.016 1.00 4.22 C ATOM 500 CD1 TRP A 373 -3.680 -0.686 0.181 1.00 10.52 C ATOM 501 CD2 TRP A 373 -3.403 -2.454 1.543 1.00 71.03 C ATOM 502 NE1 TRP A 373 -4.840 -1.432 0.156 1.00 44.24 N ATOM 503 CE2 TRP A 373 -4.694 -2.523 0.987 1.00 24.13 C ATOM 504 CE3 TRP A 373 -2.998 -3.456 2.431 1.00 73.33 C ATOM 505 CZ2 TRP A 373 -5.584 -3.566 1.298 1.00 41.32 C ATOM 506 CZ3 TRP A 373 -3.872 -4.473 2.734 1.00 24.44 C ATOM 507 CH2 TRP A 373 -5.147 -4.523 2.168 1.00 44.35 C ATOM 0 H TRP A 373 0.813 0.154 2.129 1.00 55.13 H new ATOM 0 HA TRP A 373 -1.857 0.965 2.461 1.00 43.15 H new ATOM 0 HB2 TRP A 373 -0.995 -0.197 0.468 1.00 2.52 H new ATOM 0 HB3 TRP A 373 -0.694 -1.642 1.414 1.00 2.52 H new ATOM 0 HD1 TRP A 373 -3.518 0.225 -0.376 1.00 10.52 H new ATOM 0 HE1 TRP A 373 -5.673 -1.212 -0.390 1.00 44.24 H new ATOM 0 HE3 TRP A 373 -2.013 -3.431 2.872 1.00 73.33 H new ATOM 0 HZ2 TRP A 373 -6.573 -3.608 0.866 1.00 41.32 H new ATOM 0 HZ3 TRP A 373 -3.567 -5.247 3.422 1.00 24.44 H new ATOM 0 HH2 TRP A 373 -5.805 -5.340 2.425 1.00 44.35 H new ATOM 518 N PHE A 374 -0.925 -1.675 4.220 1.00 20.21 N ATOM 519 CA PHE A 374 -1.260 -2.500 5.380 1.00 62.54 C ATOM 520 C PHE A 374 -1.419 -1.652 6.613 1.00 65.01 C ATOM 521 O PHE A 374 -2.377 -1.799 7.352 1.00 54.25 O ATOM 522 CB PHE A 374 -0.198 -3.576 5.636 1.00 54.05 C ATOM 523 CG PHE A 374 -0.127 -4.690 4.629 1.00 34.42 C ATOM 524 CD1 PHE A 374 0.521 -4.528 3.426 1.00 72.51 C ATOM 525 CD2 PHE A 374 -0.704 -5.912 4.906 1.00 32.31 C ATOM 526 CE1 PHE A 374 0.592 -5.558 2.514 1.00 11.41 C ATOM 527 CE2 PHE A 374 -0.634 -6.947 4.004 1.00 74.20 C ATOM 528 CZ PHE A 374 0.015 -6.770 2.804 1.00 3.12 C ATOM 0 H PHE A 374 -0.038 -1.916 3.778 1.00 20.21 H new ATOM 0 HA PHE A 374 -2.206 -2.994 5.156 1.00 62.54 H new ATOM 0 HB2 PHE A 374 0.777 -3.091 5.680 1.00 54.05 H new ATOM 0 HB3 PHE A 374 -0.382 -4.013 6.618 1.00 54.05 H new ATOM 0 HD1 PHE A 374 0.981 -3.579 3.193 1.00 72.51 H new ATOM 0 HD2 PHE A 374 -1.218 -6.058 5.845 1.00 32.31 H new ATOM 0 HE1 PHE A 374 1.101 -5.413 1.572 1.00 11.41 H new ATOM 0 HE2 PHE A 374 -1.088 -7.899 4.237 1.00 74.20 H new ATOM 0 HZ PHE A 374 0.071 -7.581 2.093 1.00 3.12 H new ATOM 538 N ALA A 375 -0.492 -0.748 6.808 1.00 20.30 N ATOM 539 CA ALA A 375 -0.505 0.138 7.964 1.00 15.21 C ATOM 540 C ALA A 375 -1.753 1.020 7.978 1.00 44.33 C ATOM 541 O ALA A 375 -2.310 1.322 9.031 1.00 23.03 O ATOM 542 CB ALA A 375 0.743 0.985 7.962 1.00 42.32 C ATOM 0 H ALA A 375 0.295 -0.599 6.176 1.00 20.30 H new ATOM 0 HA ALA A 375 -0.528 -0.472 8.867 1.00 15.21 H new ATOM 0 HB1 ALA A 375 0.734 1.648 8.827 1.00 42.32 H new ATOM 0 HB2 ALA A 375 1.621 0.340 8.009 1.00 42.32 H new ATOM 0 HB3 ALA A 375 0.778 1.580 7.049 1.00 42.32 H new ATOM 548 N SER A 376 -2.183 1.411 6.819 1.00 13.13 N ATOM 549 CA SER A 376 -3.339 2.254 6.682 1.00 54.30 C ATOM 550 C SER A 376 -4.650 1.469 6.826 1.00 64.33 C ATOM 551 O SER A 376 -5.555 1.899 7.527 1.00 14.42 O ATOM 552 CB SER A 376 -3.293 2.976 5.341 1.00 22.20 C ATOM 553 OG SER A 376 -2.082 3.726 5.216 1.00 34.22 O ATOM 0 H SER A 376 -1.743 1.156 5.935 1.00 13.13 H new ATOM 0 HA SER A 376 -3.316 2.984 7.491 1.00 54.30 H new ATOM 0 HB2 SER A 376 -3.365 2.252 4.529 1.00 22.20 H new ATOM 0 HB3 SER A 376 -4.151 3.642 5.251 1.00 22.20 H new ATOM 0 HG SER A 376 -1.394 3.169 4.795 1.00 34.22 H new ATOM 559 N ASN A 377 -4.737 0.303 6.201 1.00 40.03 N ATOM 560 CA ASN A 377 -6.012 -0.421 6.172 1.00 32.12 C ATOM 561 C ASN A 377 -6.163 -1.438 7.281 1.00 64.44 C ATOM 562 O ASN A 377 -7.269 -1.886 7.563 1.00 33.12 O ATOM 563 CB ASN A 377 -6.298 -1.042 4.790 1.00 43.02 C ATOM 564 CG ASN A 377 -6.458 0.004 3.710 1.00 33.12 C ATOM 565 OD1 ASN A 377 -7.549 0.512 3.476 1.00 4.40 O ATOM 566 ND2 ASN A 377 -5.381 0.334 3.046 1.00 10.03 N ATOM 0 H ASN A 377 -3.966 -0.157 5.717 1.00 40.03 H new ATOM 0 HA ASN A 377 -6.773 0.337 6.359 1.00 32.12 H new ATOM 0 HB2 ASN A 377 -5.484 -1.716 4.522 1.00 43.02 H new ATOM 0 HB3 ASN A 377 -7.205 -1.644 4.846 1.00 43.02 H new ATOM 0 HD21 ASN A 377 -5.432 1.035 2.307 1.00 10.03 H new ATOM 0 HD22 ASN A 377 -4.489 -0.109 3.268 1.00 10.03 H new ATOM 573 N VAL A 378 -5.081 -1.806 7.909 1.00 74.12 N ATOM 574 CA VAL A 378 -5.132 -2.750 9.004 1.00 61.41 C ATOM 575 C VAL A 378 -4.694 -2.043 10.283 1.00 73.53 C ATOM 576 O VAL A 378 -3.576 -1.523 10.355 1.00 54.24 O ATOM 577 CB VAL A 378 -4.222 -3.980 8.747 1.00 73.51 C ATOM 578 CG1 VAL A 378 -4.329 -4.997 9.881 1.00 31.22 C ATOM 579 CG2 VAL A 378 -4.543 -4.631 7.406 1.00 51.21 C ATOM 0 H VAL A 378 -4.145 -1.468 7.684 1.00 74.12 H new ATOM 0 HA VAL A 378 -6.155 -3.114 9.099 1.00 61.41 H new ATOM 0 HB VAL A 378 -3.192 -3.624 8.713 1.00 73.51 H new ATOM 0 HG11 VAL A 378 -3.679 -5.847 9.670 1.00 31.22 H new ATOM 0 HG12 VAL A 378 -4.024 -4.531 10.818 1.00 31.22 H new ATOM 0 HG13 VAL A 378 -5.360 -5.341 9.965 1.00 31.22 H new ATOM 0 HG21 VAL A 378 -3.890 -5.490 7.253 1.00 51.21 H new ATOM 0 HG22 VAL A 378 -5.582 -4.960 7.401 1.00 51.21 H new ATOM 0 HG23 VAL A 378 -4.387 -3.909 6.604 1.00 51.21 H new ATOM 589 N PRO A 379 -5.563 -2.021 11.306 1.00 32.50 N ATOM 590 CA PRO A 379 -5.302 -1.299 12.558 1.00 40.00 C ATOM 591 C PRO A 379 -4.031 -1.766 13.277 1.00 11.40 C ATOM 592 O PRO A 379 -3.308 -0.952 13.860 1.00 54.54 O ATOM 593 CB PRO A 379 -6.547 -1.541 13.424 1.00 52.33 C ATOM 594 CG PRO A 379 -7.340 -2.609 12.738 1.00 14.01 C ATOM 595 CD PRO A 379 -6.869 -2.699 11.311 1.00 65.24 C ATOM 0 HA PRO A 379 -5.125 -0.242 12.358 1.00 40.00 H new ATOM 0 HB2 PRO A 379 -6.265 -1.852 14.430 1.00 52.33 H new ATOM 0 HB3 PRO A 379 -7.133 -0.627 13.525 1.00 52.33 H new ATOM 0 HG2 PRO A 379 -7.207 -3.565 13.244 1.00 14.01 H new ATOM 0 HG3 PRO A 379 -8.404 -2.375 12.773 1.00 14.01 H new ATOM 0 HD2 PRO A 379 -6.778 -3.736 10.989 1.00 65.24 H new ATOM 0 HD3 PRO A 379 -7.570 -2.214 10.631 1.00 65.24 H new ATOM 603 N TYR A 380 -3.754 -3.066 13.216 1.00 43.33 N ATOM 604 CA TYR A 380 -2.563 -3.644 13.835 1.00 42.33 C ATOM 605 C TYR A 380 -1.282 -3.116 13.189 1.00 71.40 C ATOM 606 O TYR A 380 -0.269 -2.922 13.858 1.00 33.02 O ATOM 607 CB TYR A 380 -2.631 -5.172 13.774 1.00 14.02 C ATOM 608 CG TYR A 380 -1.415 -5.866 14.312 1.00 52.31 C ATOM 609 CD1 TYR A 380 -1.092 -5.805 15.655 1.00 42.25 C ATOM 610 CD2 TYR A 380 -0.581 -6.576 13.469 1.00 61.01 C ATOM 611 CE1 TYR A 380 0.028 -6.433 16.143 1.00 41.11 C ATOM 612 CE2 TYR A 380 0.535 -7.207 13.942 1.00 14.13 C ATOM 613 CZ TYR A 380 0.842 -7.138 15.279 1.00 11.30 C ATOM 614 OH TYR A 380 1.972 -7.775 15.751 1.00 24.41 O ATOM 0 H TYR A 380 -4.345 -3.746 12.739 1.00 43.33 H new ATOM 0 HA TYR A 380 -2.538 -3.340 14.881 1.00 42.33 H new ATOM 0 HB2 TYR A 380 -3.504 -5.508 14.334 1.00 14.02 H new ATOM 0 HB3 TYR A 380 -2.780 -5.476 12.738 1.00 14.02 H new ATOM 0 HD1 TYR A 380 -1.730 -5.255 16.331 1.00 42.25 H new ATOM 0 HD2 TYR A 380 -0.816 -6.633 12.416 1.00 61.01 H new ATOM 0 HE1 TYR A 380 0.270 -6.376 17.194 1.00 41.11 H new ATOM 0 HE2 TYR A 380 1.173 -7.758 13.267 1.00 14.13 H new ATOM 0 HH TYR A 380 2.428 -8.224 15.009 1.00 24.41 H new ATOM 624 N PHE A 381 -1.311 -2.900 11.906 1.00 13.02 N ATOM 625 CA PHE A 381 -0.161 -2.358 11.247 1.00 55.34 C ATOM 626 C PHE A 381 -0.038 -0.888 11.480 1.00 11.55 C ATOM 627 O PHE A 381 1.045 -0.346 11.456 1.00 64.45 O ATOM 628 CB PHE A 381 -0.070 -2.763 9.801 1.00 73.02 C ATOM 629 CG PHE A 381 0.004 -4.236 9.674 1.00 10.31 C ATOM 630 CD1 PHE A 381 0.916 -4.957 10.427 1.00 60.33 C ATOM 631 CD2 PHE A 381 -0.831 -4.909 8.833 1.00 2.23 C ATOM 632 CE1 PHE A 381 0.979 -6.312 10.337 1.00 24.35 C ATOM 633 CE2 PHE A 381 -0.771 -6.262 8.734 1.00 43.01 C ATOM 634 CZ PHE A 381 0.141 -6.968 9.495 1.00 43.33 C ATOM 0 H PHE A 381 -2.110 -3.089 11.301 1.00 13.02 H new ATOM 0 HA PHE A 381 0.719 -2.807 11.707 1.00 55.34 H new ATOM 0 HB2 PHE A 381 -0.938 -2.389 9.258 1.00 73.02 H new ATOM 0 HB3 PHE A 381 0.810 -2.309 9.346 1.00 73.02 H new ATOM 0 HD1 PHE A 381 1.586 -4.436 11.095 1.00 60.33 H new ATOM 0 HD2 PHE A 381 -1.548 -4.361 8.239 1.00 2.23 H new ATOM 0 HE1 PHE A 381 1.692 -6.863 10.932 1.00 24.35 H new ATOM 0 HE2 PHE A 381 -1.435 -6.785 8.062 1.00 43.01 H new ATOM 0 HZ PHE A 381 0.187 -8.044 9.420 1.00 43.33 H new ATOM 644 N GLY A 382 -1.169 -0.244 11.705 1.00 4.45 N ATOM 645 CA GLY A 382 -1.181 1.163 12.022 1.00 40.54 C ATOM 646 C GLY A 382 -0.381 1.476 13.288 1.00 51.25 C ATOM 647 O GLY A 382 0.197 2.564 13.416 1.00 31.14 O ATOM 0 H GLY A 382 -2.091 -0.679 11.673 1.00 4.45 H new ATOM 0 HA2 GLY A 382 -0.768 1.726 11.185 1.00 40.54 H new ATOM 0 HA3 GLY A 382 -2.211 1.496 12.153 1.00 40.54 H new ATOM 651 N ASN A 383 -0.325 0.526 14.222 1.00 62.02 N ATOM 652 CA ASN A 383 0.441 0.710 15.418 1.00 51.35 C ATOM 653 C ASN A 383 1.878 0.206 15.241 1.00 3.32 C ATOM 654 O ASN A 383 2.690 0.321 16.133 1.00 24.54 O ATOM 655 CB ASN A 383 -0.238 0.076 16.651 1.00 32.01 C ATOM 656 CG ASN A 383 -0.570 -1.390 16.500 1.00 32.21 C ATOM 657 OD1 ASN A 383 -1.673 -1.754 16.115 1.00 12.32 O ATOM 658 ND2 ASN A 383 0.382 -2.233 16.765 1.00 11.24 N ATOM 0 H ASN A 383 -0.806 -0.371 14.158 1.00 62.02 H new ATOM 0 HA ASN A 383 0.487 1.783 15.606 1.00 51.35 H new ATOM 0 HB2 ASN A 383 0.416 0.200 17.514 1.00 32.01 H new ATOM 0 HB3 ASN A 383 -1.156 0.623 16.866 1.00 32.01 H new ATOM 0 HD21 ASN A 383 0.222 -3.234 16.654 1.00 11.24 H new ATOM 0 HD22 ASN A 383 1.289 -1.894 17.084 1.00 11.24 H new ATOM 665 N ARG A 384 2.171 -0.376 14.087 1.00 64.54 N ATOM 666 CA ARG A 384 3.523 -0.796 13.739 1.00 24.00 C ATOM 667 C ARG A 384 3.986 -0.161 12.451 1.00 64.01 C ATOM 668 O ARG A 384 4.053 -0.816 11.411 1.00 10.43 O ATOM 669 CB ARG A 384 3.718 -2.320 13.717 1.00 64.12 C ATOM 670 CG ARG A 384 3.719 -2.927 15.089 1.00 13.51 C ATOM 671 CD ARG A 384 4.032 -4.399 15.085 1.00 53.35 C ATOM 672 NE ARG A 384 4.180 -4.887 16.460 1.00 24.04 N ATOM 673 CZ ARG A 384 4.720 -6.055 16.811 1.00 2.21 C ATOM 674 NH1 ARG A 384 5.123 -6.918 15.881 1.00 65.21 N ATOM 675 NH2 ARG A 384 4.853 -6.354 18.092 1.00 33.22 N ATOM 0 H ARG A 384 1.478 -0.571 13.364 1.00 64.54 H new ATOM 0 HA ARG A 384 4.157 -0.433 14.548 1.00 24.00 H new ATOM 0 HB2 ARG A 384 2.924 -2.775 13.124 1.00 64.12 H new ATOM 0 HB3 ARG A 384 4.660 -2.554 13.221 1.00 64.12 H new ATOM 0 HG2 ARG A 384 4.451 -2.408 15.708 1.00 13.51 H new ATOM 0 HG3 ARG A 384 2.743 -2.771 15.549 1.00 13.51 H new ATOM 0 HD2 ARG A 384 3.236 -4.946 14.580 1.00 53.35 H new ATOM 0 HD3 ARG A 384 4.949 -4.582 14.525 1.00 53.35 H new ATOM 0 HE ARG A 384 3.842 -4.283 17.210 1.00 24.04 H new ATOM 0 HH11 ARG A 384 5.020 -6.688 14.893 1.00 65.21 H new ATOM 0 HH12 ARG A 384 5.535 -7.809 16.157 1.00 65.21 H new ATOM 0 HH21 ARG A 384 4.543 -5.693 18.805 1.00 33.22 H new ATOM 0 HH22 ARG A 384 5.265 -7.245 18.368 1.00 33.22 H new ATOM 689 N THR A 385 4.277 1.113 12.515 1.00 44.12 N ATOM 690 CA THR A 385 4.639 1.875 11.330 1.00 13.03 C ATOM 691 C THR A 385 6.060 2.402 11.376 1.00 24.30 C ATOM 692 O THR A 385 6.638 2.739 10.331 1.00 33.32 O ATOM 693 CB THR A 385 3.670 3.045 11.104 1.00 71.20 C ATOM 694 OG1 THR A 385 3.556 3.816 12.306 1.00 63.22 O ATOM 695 CG2 THR A 385 2.309 2.548 10.685 1.00 14.33 C ATOM 0 H THR A 385 4.272 1.655 13.379 1.00 44.12 H new ATOM 0 HA THR A 385 4.570 1.176 10.497 1.00 13.03 H new ATOM 0 HB THR A 385 4.067 3.670 10.304 1.00 71.20 H new ATOM 0 HG1 THR A 385 2.939 4.563 12.158 1.00 63.22 H new ATOM 0 HG21 THR A 385 1.643 3.397 10.532 1.00 14.33 H new ATOM 0 HG22 THR A 385 2.398 1.984 9.756 1.00 14.33 H new ATOM 0 HG23 THR A 385 1.902 1.903 11.464 1.00 14.33 H new ATOM 703 N SER A 386 6.635 2.476 12.567 1.00 43.14 N ATOM 704 CA SER A 386 7.981 2.961 12.715 1.00 4.40 C ATOM 705 C SER A 386 8.926 1.974 12.037 1.00 1.43 C ATOM 706 O SER A 386 8.566 0.801 11.853 1.00 72.12 O ATOM 707 CB SER A 386 8.317 3.151 14.211 1.00 42.44 C ATOM 708 OG SER A 386 9.613 3.690 14.397 1.00 54.21 O ATOM 0 H SER A 386 6.183 2.204 13.440 1.00 43.14 H new ATOM 0 HA SER A 386 8.093 3.935 12.239 1.00 4.40 H new ATOM 0 HB2 SER A 386 7.580 3.812 14.667 1.00 42.44 H new ATOM 0 HB3 SER A 386 8.246 2.192 14.724 1.00 42.44 H new ATOM 0 HG SER A 386 9.788 3.797 15.355 1.00 54.21 H new ATOM 714 N GLN A 387 10.097 2.434 11.659 1.00 0.22 N ATOM 715 CA GLN A 387 11.057 1.628 10.915 1.00 72.00 C ATOM 716 C GLN A 387 11.325 0.257 11.551 1.00 3.24 C ATOM 717 O GLN A 387 11.186 -0.764 10.878 1.00 74.41 O ATOM 718 CB GLN A 387 12.337 2.418 10.641 1.00 25.02 C ATOM 719 CG GLN A 387 12.115 3.598 9.693 1.00 73.03 C ATOM 720 CD GLN A 387 13.348 4.454 9.494 1.00 71.13 C ATOM 721 OE1 GLN A 387 13.570 5.429 10.223 1.00 14.23 O ATOM 722 NE2 GLN A 387 14.154 4.110 8.529 1.00 0.14 N ATOM 0 H GLN A 387 10.418 3.382 11.857 1.00 0.22 H new ATOM 0 HA GLN A 387 10.601 1.400 9.952 1.00 72.00 H new ATOM 0 HB2 GLN A 387 12.740 2.787 11.584 1.00 25.02 H new ATOM 0 HB3 GLN A 387 13.086 1.751 10.214 1.00 25.02 H new ATOM 0 HG2 GLN A 387 11.785 3.219 8.725 1.00 73.03 H new ATOM 0 HG3 GLN A 387 11.310 4.220 10.083 1.00 73.03 H new ATOM 0 HE21 GLN A 387 13.938 3.300 7.948 1.00 0.14 H new ATOM 0 HE22 GLN A 387 15.001 4.651 8.354 1.00 0.14 H new ATOM 731 N GLU A 388 11.649 0.223 12.836 1.00 3.34 N ATOM 732 CA GLU A 388 11.873 -1.060 13.512 1.00 2.30 C ATOM 733 C GLU A 388 10.545 -1.772 13.775 1.00 23.31 C ATOM 734 O GLU A 388 10.457 -2.983 13.683 1.00 3.24 O ATOM 735 CB GLU A 388 12.621 -0.883 14.834 1.00 33.11 C ATOM 736 CG GLU A 388 13.989 -0.252 14.704 1.00 14.30 C ATOM 737 CD GLU A 388 14.689 -0.136 16.031 1.00 12.23 C ATOM 738 OE1 GLU A 388 14.293 0.710 16.850 1.00 32.41 O ATOM 739 OE2 GLU A 388 15.655 -0.892 16.277 1.00 23.55 O ATOM 0 H GLU A 388 11.762 1.047 13.427 1.00 3.34 H new ATOM 0 HA GLU A 388 12.488 -1.666 12.847 1.00 2.30 H new ATOM 0 HB2 GLU A 388 12.014 -0.270 15.500 1.00 33.11 H new ATOM 0 HB3 GLU A 388 12.729 -1.858 15.309 1.00 33.11 H new ATOM 0 HG2 GLU A 388 14.599 -0.847 14.024 1.00 14.30 H new ATOM 0 HG3 GLU A 388 13.890 0.738 14.259 1.00 14.30 H new ATOM 746 N GLN A 389 9.513 -0.989 14.066 1.00 3.21 N ATOM 747 CA GLN A 389 8.178 -1.511 14.397 1.00 73.12 C ATOM 748 C GLN A 389 7.553 -2.294 13.259 1.00 11.40 C ATOM 749 O GLN A 389 6.865 -3.283 13.477 1.00 44.11 O ATOM 750 CB GLN A 389 7.258 -0.355 14.794 1.00 11.33 C ATOM 751 CG GLN A 389 7.627 0.290 16.115 1.00 65.34 C ATOM 752 CD GLN A 389 7.377 -0.626 17.292 1.00 23.11 C ATOM 753 OE1 GLN A 389 8.087 -0.575 18.291 1.00 73.43 O ATOM 754 NE2 GLN A 389 6.325 -1.419 17.205 1.00 52.14 N ATOM 0 H GLN A 389 9.571 0.029 14.081 1.00 3.21 H new ATOM 0 HA GLN A 389 8.302 -2.202 15.230 1.00 73.12 H new ATOM 0 HB2 GLN A 389 7.282 0.402 14.011 1.00 11.33 H new ATOM 0 HB3 GLN A 389 6.233 -0.721 14.852 1.00 11.33 H new ATOM 0 HG2 GLN A 389 8.679 0.575 16.096 1.00 65.34 H new ATOM 0 HG3 GLN A 389 7.051 1.207 16.242 1.00 65.34 H new ATOM 0 HE21 GLN A 389 5.763 -1.429 16.354 1.00 52.14 H new ATOM 0 HE22 GLN A 389 6.075 -2.022 17.989 1.00 52.14 H new ATOM 763 N SER A 390 7.792 -1.852 12.065 1.00 73.33 N ATOM 764 CA SER A 390 7.203 -2.458 10.913 1.00 70.13 C ATOM 765 C SER A 390 8.098 -3.528 10.294 1.00 63.25 C ATOM 766 O SER A 390 7.614 -4.396 9.573 1.00 34.50 O ATOM 767 CB SER A 390 6.874 -1.372 9.901 1.00 73.04 C ATOM 768 OG SER A 390 8.035 -0.603 9.598 1.00 30.24 O ATOM 0 H SER A 390 8.402 -1.060 11.861 1.00 73.33 H new ATOM 0 HA SER A 390 6.291 -2.968 11.222 1.00 70.13 H new ATOM 0 HB2 SER A 390 6.481 -1.823 8.990 1.00 73.04 H new ATOM 0 HB3 SER A 390 6.093 -0.722 10.297 1.00 73.04 H new ATOM 0 HG SER A 390 8.200 0.039 10.320 1.00 30.24 H new ATOM 774 N ALA A 391 9.386 -3.478 10.623 1.00 54.13 N ATOM 775 CA ALA A 391 10.416 -4.332 10.020 1.00 24.14 C ATOM 776 C ALA A 391 10.054 -5.815 9.961 1.00 32.25 C ATOM 777 O ALA A 391 10.172 -6.418 8.920 1.00 51.22 O ATOM 778 CB ALA A 391 11.734 -4.146 10.724 1.00 34.22 C ATOM 0 H ALA A 391 9.753 -2.836 11.325 1.00 54.13 H new ATOM 0 HA ALA A 391 10.494 -4.004 8.983 1.00 24.14 H new ATOM 0 HB1 ALA A 391 12.486 -4.787 10.264 1.00 34.22 H new ATOM 0 HB2 ALA A 391 12.046 -3.105 10.643 1.00 34.22 H new ATOM 0 HB3 ALA A 391 11.625 -4.412 11.776 1.00 34.22 H new ATOM 784 N GLY A 392 9.605 -6.381 11.064 1.00 51.41 N ATOM 785 CA GLY A 392 9.301 -7.805 11.100 1.00 35.25 C ATOM 786 C GLY A 392 8.196 -8.239 10.154 1.00 75.43 C ATOM 787 O GLY A 392 8.363 -9.205 9.388 1.00 63.01 O ATOM 0 H GLY A 392 9.443 -5.886 11.941 1.00 51.41 H new ATOM 0 HA2 GLY A 392 10.206 -8.363 10.860 1.00 35.25 H new ATOM 0 HA3 GLY A 392 9.019 -8.077 12.117 1.00 35.25 H new ATOM 791 N TRP A 393 7.069 -7.551 10.177 1.00 51.11 N ATOM 792 CA TRP A 393 5.980 -7.953 9.317 1.00 55.20 C ATOM 793 C TRP A 393 6.287 -7.609 7.852 1.00 45.05 C ATOM 794 O TRP A 393 5.862 -8.303 6.924 1.00 14.25 O ATOM 795 CB TRP A 393 4.604 -7.430 9.797 1.00 44.52 C ATOM 796 CG TRP A 393 4.442 -5.952 9.820 1.00 35.35 C ATOM 797 CD1 TRP A 393 4.708 -5.108 10.848 1.00 42.32 C ATOM 798 CD2 TRP A 393 3.945 -5.155 8.758 1.00 42.43 C ATOM 799 NE1 TRP A 393 4.408 -3.815 10.477 1.00 72.03 N ATOM 800 CE2 TRP A 393 3.944 -3.821 9.194 1.00 4.52 C ATOM 801 CE3 TRP A 393 3.505 -5.450 7.476 1.00 72.12 C ATOM 802 CZ2 TRP A 393 3.518 -2.774 8.386 1.00 21.54 C ATOM 803 CZ3 TRP A 393 3.082 -4.416 6.670 1.00 43.11 C ATOM 804 CH2 TRP A 393 3.093 -3.090 7.128 1.00 12.11 C ATOM 0 H TRP A 393 6.889 -6.736 10.764 1.00 51.11 H new ATOM 0 HA TRP A 393 5.896 -9.038 9.380 1.00 55.20 H new ATOM 0 HB2 TRP A 393 3.832 -7.851 9.152 1.00 44.52 H new ATOM 0 HB3 TRP A 393 4.423 -7.812 10.802 1.00 44.52 H new ATOM 0 HD1 TRP A 393 5.096 -5.404 11.811 1.00 42.32 H new ATOM 0 HE1 TRP A 393 4.515 -2.989 11.065 1.00 72.03 H new ATOM 0 HE3 TRP A 393 3.494 -6.469 7.117 1.00 72.12 H new ATOM 0 HZ2 TRP A 393 3.523 -1.753 8.738 1.00 21.54 H new ATOM 0 HZ3 TRP A 393 2.736 -4.630 5.669 1.00 43.11 H new ATOM 0 HH2 TRP A 393 2.758 -2.302 6.470 1.00 12.11 H new ATOM 815 N LYS A 394 7.065 -6.555 7.669 1.00 43.11 N ATOM 816 CA LYS A 394 7.541 -6.115 6.414 1.00 43.33 C ATOM 817 C LYS A 394 8.535 -7.139 5.847 1.00 22.31 C ATOM 818 O LYS A 394 8.545 -7.423 4.639 1.00 23.35 O ATOM 819 CB LYS A 394 8.190 -4.798 6.712 1.00 23.31 C ATOM 820 CG LYS A 394 8.802 -4.074 5.605 1.00 54.21 C ATOM 821 CD LYS A 394 9.264 -2.693 6.049 1.00 62.13 C ATOM 822 CE LYS A 394 8.077 -1.808 6.442 1.00 51.34 C ATOM 823 NZ LYS A 394 8.479 -0.448 6.843 1.00 5.41 N ATOM 0 H LYS A 394 7.384 -5.971 8.442 1.00 43.11 H new ATOM 0 HA LYS A 394 6.761 -6.011 5.660 1.00 43.33 H new ATOM 0 HB2 LYS A 394 7.439 -4.149 7.162 1.00 23.31 H new ATOM 0 HB3 LYS A 394 8.958 -4.967 7.467 1.00 23.31 H new ATOM 0 HG2 LYS A 394 9.651 -4.640 5.220 1.00 54.21 H new ATOM 0 HG3 LYS A 394 8.087 -3.978 4.788 1.00 54.21 H new ATOM 0 HD2 LYS A 394 9.944 -2.790 6.895 1.00 62.13 H new ATOM 0 HD3 LYS A 394 9.823 -2.218 5.243 1.00 62.13 H new ATOM 0 HE2 LYS A 394 7.386 -1.743 5.602 1.00 51.34 H new ATOM 0 HE3 LYS A 394 7.537 -2.278 7.264 1.00 51.34 H new ATOM 0 HZ1 LYS A 394 8.396 -0.352 7.875 1.00 5.41 H new ATOM 0 HZ2 LYS A 394 9.465 -0.279 6.557 1.00 5.41 H new ATOM 0 HZ3 LYS A 394 7.860 0.248 6.380 1.00 5.41 H new ATOM 837 N ASN A 395 9.336 -7.709 6.737 1.00 53.31 N ATOM 838 CA ASN A 395 10.314 -8.764 6.389 1.00 44.31 C ATOM 839 C ASN A 395 9.598 -9.979 5.826 1.00 72.31 C ATOM 840 O ASN A 395 10.052 -10.610 4.852 1.00 25.41 O ATOM 841 CB ASN A 395 11.111 -9.184 7.644 1.00 34.35 C ATOM 842 CG ASN A 395 12.062 -10.352 7.403 1.00 41.52 C ATOM 843 OD1 ASN A 395 11.679 -11.526 7.542 1.00 22.45 O ATOM 844 ND2 ASN A 395 13.293 -10.056 7.075 1.00 32.31 N ATOM 0 H ASN A 395 9.336 -7.461 7.726 1.00 53.31 H new ATOM 0 HA ASN A 395 10.997 -8.366 5.639 1.00 44.31 H new ATOM 0 HB2 ASN A 395 11.683 -8.329 8.003 1.00 34.35 H new ATOM 0 HB3 ASN A 395 10.411 -9.454 8.435 1.00 34.35 H new ATOM 0 HD21 ASN A 395 13.974 -10.801 6.925 1.00 32.31 H new ATOM 0 HD22 ASN A 395 13.572 -9.081 6.970 1.00 32.31 H new ATOM 851 N SER A 396 8.474 -10.280 6.428 1.00 31.21 N ATOM 852 CA SER A 396 7.662 -11.415 6.066 1.00 50.22 C ATOM 853 C SER A 396 7.123 -11.255 4.627 1.00 4.15 C ATOM 854 O SER A 396 7.163 -12.194 3.820 1.00 32.12 O ATOM 855 CB SER A 396 6.533 -11.536 7.084 1.00 75.40 C ATOM 856 OG SER A 396 7.063 -11.555 8.416 1.00 65.32 O ATOM 0 H SER A 396 8.091 -9.732 7.198 1.00 31.21 H new ATOM 0 HA SER A 396 8.255 -12.330 6.080 1.00 50.22 H new ATOM 0 HB2 SER A 396 5.842 -10.700 6.972 1.00 75.40 H new ATOM 0 HB3 SER A 396 5.964 -12.447 6.899 1.00 75.40 H new ATOM 0 HG SER A 396 7.335 -10.649 8.673 1.00 65.32 H new ATOM 862 N ILE A 397 6.655 -10.051 4.309 1.00 64.51 N ATOM 863 CA ILE A 397 6.179 -9.719 2.965 1.00 52.42 C ATOM 864 C ILE A 397 7.311 -9.920 1.926 1.00 55.25 C ATOM 865 O ILE A 397 7.116 -10.583 0.906 1.00 74.44 O ATOM 866 CB ILE A 397 5.651 -8.250 2.929 1.00 43.15 C ATOM 867 CG1 ILE A 397 4.362 -8.124 3.758 1.00 33.40 C ATOM 868 CG2 ILE A 397 5.425 -7.751 1.500 1.00 25.11 C ATOM 869 CD1 ILE A 397 3.862 -6.710 3.928 1.00 52.22 C ATOM 0 H ILE A 397 6.594 -9.278 4.972 1.00 64.51 H new ATOM 0 HA ILE A 397 5.358 -10.388 2.708 1.00 52.42 H new ATOM 0 HB ILE A 397 6.421 -7.617 3.371 1.00 43.15 H new ATOM 0 HG12 ILE A 397 3.581 -8.718 3.283 1.00 33.40 H new ATOM 0 HG13 ILE A 397 4.536 -8.555 4.744 1.00 33.40 H new ATOM 0 HG21 ILE A 397 5.058 -6.725 1.527 1.00 25.11 H new ATOM 0 HG22 ILE A 397 6.365 -7.786 0.949 1.00 25.11 H new ATOM 0 HG23 ILE A 397 4.691 -8.386 1.005 1.00 25.11 H new ATOM 0 HD11 ILE A 397 2.950 -6.716 4.525 1.00 52.22 H new ATOM 0 HD12 ILE A 397 4.622 -6.113 4.432 1.00 52.22 H new ATOM 0 HD13 ILE A 397 3.652 -6.278 2.949 1.00 52.22 H new ATOM 881 N ARG A 398 8.498 -9.370 2.230 1.00 42.03 N ATOM 882 CA ARG A 398 9.698 -9.492 1.370 1.00 2.45 C ATOM 883 C ARG A 398 10.038 -10.934 1.056 1.00 70.11 C ATOM 884 O ARG A 398 10.380 -11.269 -0.083 1.00 14.12 O ATOM 885 CB ARG A 398 10.896 -8.869 2.061 1.00 41.01 C ATOM 886 CG ARG A 398 10.897 -7.379 2.112 1.00 3.24 C ATOM 887 CD ARG A 398 11.236 -6.746 0.787 1.00 72.42 C ATOM 888 NE ARG A 398 11.362 -5.296 0.961 1.00 43.12 N ATOM 889 CZ ARG A 398 12.378 -4.537 0.515 1.00 12.23 C ATOM 890 NH1 ARG A 398 13.383 -5.088 -0.177 1.00 12.03 N ATOM 891 NH2 ARG A 398 12.383 -3.230 0.763 1.00 44.33 N ATOM 0 H ARG A 398 8.658 -8.827 3.078 1.00 42.03 H new ATOM 0 HA ARG A 398 9.468 -8.976 0.438 1.00 2.45 H new ATOM 0 HB2 ARG A 398 10.946 -9.251 3.081 1.00 41.01 H new ATOM 0 HB3 ARG A 398 11.801 -9.200 1.552 1.00 41.01 H new ATOM 0 HG2 ARG A 398 9.916 -7.031 2.434 1.00 3.24 H new ATOM 0 HG3 ARG A 398 11.615 -7.047 2.862 1.00 3.24 H new ATOM 0 HD2 ARG A 398 12.168 -7.160 0.401 1.00 72.42 H new ATOM 0 HD3 ARG A 398 10.460 -6.970 0.055 1.00 72.42 H new ATOM 0 HE ARG A 398 10.613 -4.821 1.465 1.00 43.12 H new ATOM 0 HH11 ARG A 398 13.381 -6.090 -0.369 1.00 12.03 H new ATOM 0 HH12 ARG A 398 14.151 -4.506 -0.512 1.00 12.03 H new ATOM 0 HH21 ARG A 398 11.618 -2.808 1.290 1.00 44.33 H new ATOM 0 HH22 ARG A 398 13.152 -2.650 0.427 1.00 44.33 H new ATOM 905 N HIS A 399 9.955 -11.778 2.066 1.00 1.13 N ATOM 906 CA HIS A 399 10.288 -13.182 1.920 1.00 33.22 C ATOM 907 C HIS A 399 9.314 -13.871 0.976 1.00 35.22 C ATOM 908 O HIS A 399 9.724 -14.570 0.056 1.00 54.24 O ATOM 909 CB HIS A 399 10.319 -13.879 3.295 1.00 72.10 C ATOM 910 CG HIS A 399 10.662 -15.344 3.244 1.00 2.01 C ATOM 911 ND1 HIS A 399 9.821 -16.332 3.697 1.00 52.33 N ATOM 912 CD2 HIS A 399 11.773 -15.976 2.807 1.00 14.44 C ATOM 913 CE1 HIS A 399 10.397 -17.505 3.541 1.00 61.43 C ATOM 914 NE2 HIS A 399 11.580 -17.315 3.002 1.00 24.31 N ATOM 0 H HIS A 399 9.657 -11.513 3.005 1.00 1.13 H new ATOM 0 HA HIS A 399 11.284 -13.256 1.484 1.00 33.22 H new ATOM 0 HB2 HIS A 399 11.045 -13.371 3.930 1.00 72.10 H new ATOM 0 HB3 HIS A 399 9.344 -13.763 3.769 1.00 72.10 H new ATOM 0 HD2 HIS A 399 12.650 -15.510 2.383 1.00 14.44 H new ATOM 0 HE1 HIS A 399 9.970 -18.460 3.810 1.00 61.43 H new ATOM 0 HE2 HIS A 399 12.248 -18.049 2.767 1.00 24.31 H new ATOM 923 N ASN A 400 8.035 -13.647 1.197 1.00 64.22 N ATOM 924 CA ASN A 400 6.987 -14.250 0.380 1.00 21.45 C ATOM 925 C ASN A 400 7.044 -13.785 -1.066 1.00 74.35 C ATOM 926 O ASN A 400 6.747 -14.554 -1.989 1.00 32.04 O ATOM 927 CB ASN A 400 5.631 -13.997 1.002 1.00 52.50 C ATOM 928 CG ASN A 400 5.490 -14.705 2.330 1.00 24.24 C ATOM 929 OD1 ASN A 400 6.024 -15.792 2.531 1.00 63.02 O ATOM 930 ND2 ASN A 400 4.824 -14.094 3.243 1.00 74.13 N ATOM 0 H ASN A 400 7.687 -13.045 1.944 1.00 64.22 H new ATOM 0 HA ASN A 400 7.158 -15.326 0.356 1.00 21.45 H new ATOM 0 HB2 ASN A 400 5.488 -12.926 1.143 1.00 52.50 H new ATOM 0 HB3 ASN A 400 4.849 -14.336 0.323 1.00 52.50 H new ATOM 0 HD21 ASN A 400 4.726 -14.511 4.169 1.00 74.13 H new ATOM 0 HD22 ASN A 400 4.393 -13.192 3.042 1.00 74.13 H new ATOM 937 N LEU A 401 7.445 -12.542 -1.270 1.00 55.00 N ATOM 938 CA LEU A 401 7.645 -11.991 -2.616 1.00 73.12 C ATOM 939 C LEU A 401 8.685 -12.784 -3.418 1.00 42.13 C ATOM 940 O LEU A 401 8.637 -12.820 -4.633 1.00 32.42 O ATOM 941 CB LEU A 401 8.020 -10.500 -2.545 1.00 11.01 C ATOM 942 CG LEU A 401 6.903 -9.569 -2.068 1.00 24.20 C ATOM 943 CD1 LEU A 401 7.399 -8.136 -1.912 1.00 51.33 C ATOM 944 CD2 LEU A 401 5.772 -9.603 -3.058 1.00 1.42 C ATOM 0 H LEU A 401 7.642 -11.883 -0.517 1.00 55.00 H new ATOM 0 HA LEU A 401 6.698 -12.083 -3.147 1.00 73.12 H new ATOM 0 HB2 LEU A 401 8.874 -10.388 -1.877 1.00 11.01 H new ATOM 0 HB3 LEU A 401 8.344 -10.176 -3.534 1.00 11.01 H new ATOM 0 HG LEU A 401 6.562 -9.916 -1.093 1.00 24.20 H new ATOM 0 HD11 LEU A 401 6.580 -7.502 -1.572 1.00 51.33 H new ATOM 0 HD12 LEU A 401 8.207 -8.108 -1.181 1.00 51.33 H new ATOM 0 HD13 LEU A 401 7.766 -7.771 -2.872 1.00 51.33 H new ATOM 0 HD21 LEU A 401 4.974 -8.941 -2.722 1.00 1.42 H new ATOM 0 HD22 LEU A 401 6.131 -9.272 -4.032 1.00 1.42 H new ATOM 0 HD23 LEU A 401 5.389 -10.620 -3.139 1.00 1.42 H new ATOM 1257 N TRP A 421 7.090 -3.184 -7.844 1.00 53.14 N ATOM 1258 CA TRP A 421 6.850 -4.465 -8.425 1.00 40.23 C ATOM 1259 C TRP A 421 5.357 -4.598 -8.713 1.00 74.54 C ATOM 1260 O TRP A 421 4.553 -3.772 -8.249 1.00 4.31 O ATOM 1261 CB TRP A 421 7.378 -5.620 -7.504 1.00 5.44 C ATOM 1262 CG TRP A 421 6.666 -5.776 -6.222 1.00 62.14 C ATOM 1263 CD1 TRP A 421 6.978 -5.211 -5.037 1.00 0.23 C ATOM 1264 CD2 TRP A 421 5.521 -6.587 -5.999 1.00 10.23 C ATOM 1265 NE1 TRP A 421 6.090 -5.617 -4.095 1.00 62.11 N ATOM 1266 CE2 TRP A 421 5.179 -6.459 -4.671 1.00 41.43 C ATOM 1267 CE3 TRP A 421 4.753 -7.405 -6.815 1.00 42.35 C ATOM 1268 CZ2 TRP A 421 4.092 -7.118 -4.125 1.00 51.05 C ATOM 1269 CZ3 TRP A 421 3.683 -8.057 -6.284 1.00 24.02 C ATOM 1270 CH2 TRP A 421 3.355 -7.915 -4.953 1.00 1.40 C ATOM 0 HA TRP A 421 7.401 -4.551 -9.362 1.00 40.23 H new ATOM 0 HB2 TRP A 421 7.314 -6.559 -8.053 1.00 5.44 H new ATOM 0 HB3 TRP A 421 8.433 -5.444 -7.296 1.00 5.44 H new ATOM 0 HD1 TRP A 421 7.806 -4.540 -4.865 1.00 0.23 H new ATOM 0 HE1 TRP A 421 6.100 -5.339 -3.114 1.00 62.11 H new ATOM 0 HE3 TRP A 421 5.001 -7.523 -7.859 1.00 42.35 H new ATOM 0 HZ2 TRP A 421 3.836 -7.006 -3.082 1.00 51.05 H new ATOM 0 HZ3 TRP A 421 3.082 -8.695 -6.915 1.00 24.02 H new ATOM 0 HH2 TRP A 421 2.500 -8.443 -4.558 1.00 1.40 H new ATOM 1281 N VAL A 422 5.000 -5.588 -9.489 1.00 1.45 N ATOM 1282 CA VAL A 422 3.621 -5.869 -9.856 1.00 74.21 C ATOM 1283 C VAL A 422 3.390 -7.362 -9.819 1.00 70.05 C ATOM 1284 O VAL A 422 4.347 -8.136 -9.814 1.00 51.25 O ATOM 1285 CB VAL A 422 3.216 -5.307 -11.259 1.00 32.24 C ATOM 1286 CG1 VAL A 422 3.254 -3.791 -11.276 1.00 51.22 C ATOM 1287 CG2 VAL A 422 4.102 -5.872 -12.361 1.00 71.31 C ATOM 0 H VAL A 422 5.669 -6.241 -9.897 1.00 1.45 H new ATOM 0 HA VAL A 422 2.991 -5.358 -9.128 1.00 74.21 H new ATOM 0 HB VAL A 422 2.191 -5.626 -11.450 1.00 32.24 H new ATOM 0 HG11 VAL A 422 2.968 -3.431 -12.264 1.00 51.22 H new ATOM 0 HG12 VAL A 422 2.559 -3.401 -10.532 1.00 51.22 H new ATOM 0 HG13 VAL A 422 4.263 -3.450 -11.044 1.00 51.22 H new ATOM 0 HG21 VAL A 422 3.794 -5.461 -13.322 1.00 71.31 H new ATOM 0 HG22 VAL A 422 5.140 -5.602 -12.167 1.00 71.31 H new ATOM 0 HG23 VAL A 422 4.007 -6.958 -12.383 1.00 71.31 H new ATOM 1297 N ILE A 423 2.160 -7.778 -9.754 1.00 1.14 N ATOM 1298 CA ILE A 423 1.881 -9.190 -9.746 1.00 75.53 C ATOM 1299 C ILE A 423 1.920 -9.673 -11.174 1.00 45.23 C ATOM 1300 O ILE A 423 1.216 -9.140 -12.032 1.00 73.15 O ATOM 1301 CB ILE A 423 0.499 -9.522 -9.095 1.00 41.51 C ATOM 1302 CG1 ILE A 423 0.501 -9.117 -7.612 1.00 43.12 C ATOM 1303 CG2 ILE A 423 0.147 -11.007 -9.252 1.00 52.31 C ATOM 1304 CD1 ILE A 423 -0.785 -9.422 -6.873 1.00 32.25 C ATOM 0 H ILE A 423 1.341 -7.172 -9.706 1.00 1.14 H new ATOM 0 HA ILE A 423 2.632 -9.697 -9.140 1.00 75.53 H new ATOM 0 HB ILE A 423 -0.267 -8.947 -9.616 1.00 41.51 H new ATOM 0 HG12 ILE A 423 1.323 -9.628 -7.111 1.00 43.12 H new ATOM 0 HG13 ILE A 423 0.700 -8.048 -7.541 1.00 43.12 H new ATOM 0 HG21 ILE A 423 -0.820 -11.203 -8.788 1.00 52.31 H new ATOM 0 HG22 ILE A 423 0.099 -11.260 -10.311 1.00 52.31 H new ATOM 0 HG23 ILE A 423 0.911 -11.615 -8.768 1.00 52.31 H new ATOM 0 HD11 ILE A 423 -0.693 -9.103 -5.835 1.00 32.25 H new ATOM 0 HD12 ILE A 423 -1.611 -8.889 -7.344 1.00 32.25 H new ATOM 0 HD13 ILE A 423 -0.979 -10.494 -6.907 1.00 32.25 H new