USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=13 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 -72:sc= 1.21 USER MOD Set 1.2: A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 342 ASN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 348 SER OG : rot 180:sc=-0.00185 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 SER OG : rot -23:sc= 0.209 USER MOD Single : A 360 THR OG1 : rot -45:sc= 0.213 USER MOD Single : A 365 MET CE :methyl -121:sc= -0.399 (180deg=-1.03) USER MOD Single : A 368 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.14) USER MOD Single : A 371 TYR OH : rot -41:sc= 0.0704 USER MOD Single : A 372 ASN : amide:sc= -1.4 X(o=-1.4,f=-0.92) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 377 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.045) 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=-0.49) USER MOD Single : A 389 GLN : amide:sc= -2.1! K(o=-2.1!,f=-0.1) USER MOD Single : A 395 ASN : amide:sc= -0.235 K(o=-0.23,f=-1.5!) USER MOD Single : A 396 SER OG : rot 180:sc= 0 USER MOD Single : A 399 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 400 ASN : amide:sc= 0.227 K(o=0.23,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -0.854 -15.382 10.401 1.00 13.34 N ATOM 2 CA ASN A 342 -0.547 -14.116 9.743 1.00 4.34 C ATOM 3 C ASN A 342 -0.760 -13.012 10.745 1.00 63.22 C ATOM 4 O ASN A 342 -1.665 -13.109 11.566 1.00 15.14 O ATOM 5 CB ASN A 342 -1.449 -13.898 8.521 1.00 31.13 C ATOM 6 CG ASN A 342 -1.341 -15.016 7.504 1.00 42.14 C ATOM 7 OD1 ASN A 342 -0.504 -14.979 6.608 1.00 43.14 O ATOM 8 ND2 ASN A 342 -2.195 -16.008 7.624 1.00 62.51 N ATOM 0 HA ASN A 342 0.485 -14.124 9.392 1.00 4.34 H new ATOM 0 HB2 ASN A 342 -2.484 -13.812 8.850 1.00 31.13 H new ATOM 0 HB3 ASN A 342 -1.186 -12.953 8.045 1.00 31.13 H new ATOM 0 HD21 ASN A 342 -2.175 -16.781 6.959 1.00 62.51 H new ATOM 0 HD22 ASN A 342 -2.877 -16.005 8.382 1.00 62.51 H new ATOM 17 N PRO A 343 0.056 -11.944 10.706 1.00 21.31 N ATOM 18 CA PRO A 343 -0.022 -10.852 11.695 1.00 21.24 C ATOM 19 C PRO A 343 -1.378 -10.104 11.695 1.00 4.12 C ATOM 20 O PRO A 343 -1.883 -9.717 12.749 1.00 45.21 O ATOM 21 CB PRO A 343 1.130 -9.910 11.285 1.00 60.40 C ATOM 22 CG PRO A 343 1.414 -10.249 9.858 1.00 43.03 C ATOM 23 CD PRO A 343 1.136 -11.715 9.717 1.00 53.43 C ATOM 0 HA PRO A 343 0.061 -11.236 12.712 1.00 21.24 H new ATOM 0 HB2 PRO A 343 0.843 -8.864 11.393 1.00 60.40 H new ATOM 0 HB3 PRO A 343 2.009 -10.065 11.911 1.00 60.40 H new ATOM 0 HG2 PRO A 343 0.784 -9.666 9.186 1.00 43.03 H new ATOM 0 HG3 PRO A 343 2.449 -10.022 9.602 1.00 43.03 H new ATOM 0 HD2 PRO A 343 0.819 -11.971 8.706 1.00 53.43 H new ATOM 0 HD3 PRO A 343 2.018 -12.316 9.936 1.00 53.43 H new ATOM 31 N TRP A 344 -1.947 -9.926 10.523 1.00 14.33 N ATOM 32 CA TRP A 344 -3.214 -9.204 10.360 1.00 73.53 C ATOM 33 C TRP A 344 -4.442 -10.072 10.679 1.00 40.43 C ATOM 34 O TRP A 344 -5.452 -9.567 11.160 1.00 45.24 O ATOM 35 CB TRP A 344 -3.311 -8.659 8.926 1.00 2.12 C ATOM 36 CG TRP A 344 -3.030 -9.698 7.872 1.00 70.14 C ATOM 37 CD1 TRP A 344 -3.854 -10.702 7.463 1.00 74.40 C ATOM 38 CD2 TRP A 344 -1.848 -9.821 7.072 1.00 42.33 C ATOM 39 NE1 TRP A 344 -3.240 -11.451 6.522 1.00 63.23 N ATOM 40 CE2 TRP A 344 -2.025 -10.928 6.248 1.00 22.21 C ATOM 41 CE3 TRP A 344 -0.659 -9.113 6.976 1.00 62.15 C ATOM 42 CZ2 TRP A 344 -1.074 -11.341 5.355 1.00 74.31 C ATOM 43 CZ3 TRP A 344 0.283 -9.527 6.075 1.00 15.34 C ATOM 44 CH2 TRP A 344 0.066 -10.629 5.280 1.00 14.11 C ATOM 0 H TRP A 344 -1.553 -10.273 9.649 1.00 14.33 H new ATOM 0 HA TRP A 344 -3.216 -8.384 11.078 1.00 73.53 H new ATOM 0 HB2 TRP A 344 -4.309 -8.251 8.767 1.00 2.12 H new ATOM 0 HB3 TRP A 344 -2.607 -7.835 8.810 1.00 2.12 H new ATOM 0 HD1 TRP A 344 -4.853 -10.874 7.837 1.00 74.40 H new ATOM 0 HE1 TRP A 344 -3.634 -12.284 6.085 1.00 63.23 H new ATOM 0 HE3 TRP A 344 -0.480 -8.251 7.601 1.00 62.15 H new ATOM 0 HZ2 TRP A 344 -1.233 -12.209 4.732 1.00 74.31 H new ATOM 0 HZ3 TRP A 344 1.211 -8.981 5.986 1.00 15.34 H new ATOM 0 HH2 TRP A 344 0.830 -10.930 4.578 1.00 14.11 H new ATOM 55 N GLY A 345 -4.349 -11.365 10.409 1.00 45.42 N ATOM 56 CA GLY A 345 -5.481 -12.235 10.597 1.00 70.53 C ATOM 57 C GLY A 345 -5.337 -13.534 9.836 1.00 12.54 C ATOM 58 O GLY A 345 -4.265 -14.138 9.837 1.00 74.32 O ATOM 0 H GLY A 345 -3.507 -11.824 10.063 1.00 45.42 H new ATOM 0 HA2 GLY A 345 -5.599 -12.450 11.659 1.00 70.53 H new ATOM 0 HA3 GLY A 345 -6.387 -11.724 10.272 1.00 70.53 H new ATOM 62 N ALA A 346 -6.401 -13.950 9.159 1.00 4.12 N ATOM 63 CA ALA A 346 -6.412 -15.234 8.461 1.00 33.21 C ATOM 64 C ALA A 346 -6.067 -15.137 6.966 1.00 70.35 C ATOM 65 O ALA A 346 -5.663 -16.142 6.371 1.00 61.53 O ATOM 66 CB ALA A 346 -7.731 -15.959 8.674 1.00 4.13 C ATOM 0 H ALA A 346 -7.268 -13.419 9.077 1.00 4.12 H new ATOM 0 HA ALA A 346 -5.610 -15.820 8.909 1.00 33.21 H new ATOM 0 HB1 ALA A 346 -7.712 -16.911 8.144 1.00 4.13 H new ATOM 0 HB2 ALA A 346 -7.879 -16.139 9.739 1.00 4.13 H new ATOM 0 HB3 ALA A 346 -8.548 -15.347 8.292 1.00 4.13 H new ATOM 72 N GLU A 347 -6.246 -13.957 6.351 1.00 35.32 N ATOM 73 CA GLU A 347 -5.855 -13.759 4.934 1.00 75.23 C ATOM 74 C GLU A 347 -4.388 -14.020 4.740 1.00 2.30 C ATOM 75 O GLU A 347 -3.618 -13.954 5.682 1.00 35.32 O ATOM 76 CB GLU A 347 -6.212 -12.355 4.438 1.00 20.13 C ATOM 77 CG GLU A 347 -7.680 -12.176 4.131 1.00 14.33 C ATOM 78 CD GLU A 347 -8.117 -13.042 2.965 1.00 23.02 C ATOM 79 OE1 GLU A 347 -8.330 -14.256 3.142 1.00 41.12 O ATOM 80 OE2 GLU A 347 -8.252 -12.516 1.847 1.00 30.24 O ATOM 0 H GLU A 347 -6.651 -13.135 6.798 1.00 35.32 H new ATOM 0 HA GLU A 347 -6.421 -14.478 4.342 1.00 75.23 H new ATOM 0 HB2 GLU A 347 -5.916 -11.626 5.193 1.00 20.13 H new ATOM 0 HB3 GLU A 347 -5.633 -12.138 3.541 1.00 20.13 H new ATOM 0 HG2 GLU A 347 -8.270 -12.427 5.013 1.00 14.33 H new ATOM 0 HG3 GLU A 347 -7.879 -11.129 3.902 1.00 14.33 H new ATOM 87 N SER A 348 -3.997 -14.300 3.543 1.00 42.41 N ATOM 88 CA SER A 348 -2.635 -14.589 3.286 1.00 42.34 C ATOM 89 C SER A 348 -1.981 -13.341 2.758 1.00 31.13 C ATOM 90 O SER A 348 -2.678 -12.393 2.349 1.00 44.00 O ATOM 91 CB SER A 348 -2.503 -15.748 2.283 1.00 13.33 C ATOM 92 OG SER A 348 -1.144 -16.132 2.096 1.00 51.42 O ATOM 0 H SER A 348 -4.607 -14.334 2.727 1.00 42.41 H new ATOM 0 HA SER A 348 -2.141 -14.903 4.205 1.00 42.34 H new ATOM 0 HB2 SER A 348 -3.077 -16.604 2.638 1.00 13.33 H new ATOM 0 HB3 SER A 348 -2.932 -15.451 1.326 1.00 13.33 H new ATOM 0 HG SER A 348 -1.098 -16.871 1.454 1.00 51.42 H new ATOM 98 N TYR A 349 -0.666 -13.326 2.785 1.00 3.44 N ATOM 99 CA TYR A 349 0.119 -12.223 2.296 1.00 11.40 C ATOM 100 C TYR A 349 -0.279 -11.869 0.900 1.00 12.12 C ATOM 101 O TYR A 349 -0.724 -10.775 0.666 1.00 61.15 O ATOM 102 CB TYR A 349 1.632 -12.533 2.364 1.00 2.41 C ATOM 103 CG TYR A 349 2.199 -12.616 3.766 1.00 54.35 C ATOM 104 CD1 TYR A 349 1.952 -13.710 4.590 1.00 61.11 C ATOM 105 CD2 TYR A 349 2.972 -11.576 4.275 1.00 24.34 C ATOM 106 CE1 TYR A 349 2.461 -13.765 5.874 1.00 30.10 C ATOM 107 CE2 TYR A 349 3.479 -11.624 5.557 1.00 1.21 C ATOM 108 CZ TYR A 349 3.220 -12.719 6.352 1.00 24.12 C ATOM 109 OH TYR A 349 3.720 -12.764 7.632 1.00 61.11 O ATOM 0 H TYR A 349 -0.107 -14.095 3.154 1.00 3.44 H new ATOM 0 HA TYR A 349 -0.077 -11.367 2.942 1.00 11.40 H new ATOM 0 HB2 TYR A 349 1.818 -13.479 1.855 1.00 2.41 H new ATOM 0 HB3 TYR A 349 2.172 -11.763 1.813 1.00 2.41 H new ATOM 0 HD1 TYR A 349 1.353 -14.529 4.220 1.00 61.11 H new ATOM 0 HD2 TYR A 349 3.178 -10.716 3.655 1.00 24.34 H new ATOM 0 HE1 TYR A 349 2.265 -14.623 6.499 1.00 30.10 H new ATOM 0 HE2 TYR A 349 4.076 -10.807 5.936 1.00 1.21 H new ATOM 0 HH TYR A 349 4.234 -11.949 7.811 1.00 61.11 H new ATOM 119 N SER A 350 -0.172 -12.826 -0.005 1.00 40.21 N ATOM 120 CA SER A 350 -0.458 -12.592 -1.413 1.00 55.35 C ATOM 121 C SER A 350 -1.878 -12.023 -1.624 1.00 52.44 C ATOM 122 O SER A 350 -2.086 -11.181 -2.493 1.00 62.14 O ATOM 123 CB SER A 350 -0.282 -13.875 -2.188 1.00 72.35 C ATOM 124 OG SER A 350 0.995 -14.455 -1.923 1.00 75.30 O ATOM 0 H SER A 350 0.113 -13.781 0.211 1.00 40.21 H new ATOM 0 HA SER A 350 0.246 -11.846 -1.781 1.00 55.35 H new ATOM 0 HB2 SER A 350 -1.069 -14.579 -1.919 1.00 72.35 H new ATOM 0 HB3 SER A 350 -0.383 -13.677 -3.255 1.00 72.35 H new ATOM 0 HG SER A 350 1.089 -15.286 -2.433 1.00 75.30 H new ATOM 130 N ASP A 351 -2.834 -12.469 -0.794 1.00 23.44 N ATOM 131 CA ASP A 351 -4.212 -11.966 -0.852 1.00 72.14 C ATOM 132 C ASP A 351 -4.253 -10.489 -0.568 1.00 44.12 C ATOM 133 O ASP A 351 -4.813 -9.711 -1.347 1.00 41.13 O ATOM 134 CB ASP A 351 -5.147 -12.710 0.124 1.00 63.11 C ATOM 135 CG ASP A 351 -5.437 -14.123 -0.288 1.00 2.24 C ATOM 136 OD1 ASP A 351 -6.312 -14.342 -1.152 1.00 21.53 O ATOM 137 OD2 ASP A 351 -4.817 -15.042 0.256 1.00 25.33 O ATOM 0 H ASP A 351 -2.676 -13.176 -0.076 1.00 23.44 H new ATOM 0 HA ASP A 351 -4.571 -12.150 -1.864 1.00 72.14 H new ATOM 0 HB2 ASP A 351 -4.695 -12.714 1.116 1.00 63.11 H new ATOM 0 HB3 ASP A 351 -6.086 -12.163 0.204 1.00 63.11 H new ATOM 142 N LEU A 352 -3.646 -10.086 0.532 1.00 65.41 N ATOM 143 CA LEU A 352 -3.626 -8.694 0.883 1.00 4.03 C ATOM 144 C LEU A 352 -2.682 -7.876 0.005 1.00 2.33 C ATOM 145 O LEU A 352 -2.962 -6.720 -0.290 1.00 41.22 O ATOM 146 CB LEU A 352 -3.314 -8.492 2.336 1.00 42.31 C ATOM 147 CG LEU A 352 -4.335 -8.991 3.349 1.00 73.21 C ATOM 148 CD1 LEU A 352 -3.928 -8.541 4.705 1.00 13.24 C ATOM 149 CD2 LEU A 352 -5.723 -8.494 3.016 1.00 30.21 C ATOM 0 H LEU A 352 -3.166 -10.703 1.188 1.00 65.41 H new ATOM 0 HA LEU A 352 -4.634 -8.323 0.698 1.00 4.03 H new ATOM 0 HB2 LEU A 352 -2.363 -8.981 2.547 1.00 42.31 H new ATOM 0 HB3 LEU A 352 -3.167 -7.425 2.504 1.00 42.31 H new ATOM 0 HG LEU A 352 -4.365 -10.080 3.318 1.00 73.21 H new ATOM 0 HD11 LEU A 352 -4.653 -8.894 5.438 1.00 13.24 H new ATOM 0 HD12 LEU A 352 -2.945 -8.947 4.943 1.00 13.24 H new ATOM 0 HD13 LEU A 352 -3.887 -7.452 4.730 1.00 13.24 H new ATOM 0 HD21 LEU A 352 -6.430 -8.867 3.757 1.00 30.21 H new ATOM 0 HD22 LEU A 352 -5.731 -7.404 3.023 1.00 30.21 H new ATOM 0 HD23 LEU A 352 -6.010 -8.852 2.028 1.00 30.21 H new ATOM 161 N ILE A 353 -1.579 -8.477 -0.413 1.00 44.51 N ATOM 162 CA ILE A 353 -0.627 -7.818 -1.312 1.00 45.24 C ATOM 163 C ILE A 353 -1.326 -7.453 -2.607 1.00 61.20 C ATOM 164 O ILE A 353 -1.142 -6.362 -3.136 1.00 32.33 O ATOM 165 CB ILE A 353 0.593 -8.730 -1.622 1.00 11.31 C ATOM 166 CG1 ILE A 353 1.398 -9.000 -0.345 1.00 73.31 C ATOM 167 CG2 ILE A 353 1.478 -8.094 -2.680 1.00 30.31 C ATOM 168 CD1 ILE A 353 2.471 -10.061 -0.497 1.00 73.51 C ATOM 0 H ILE A 353 -1.314 -9.425 -0.146 1.00 44.51 H new ATOM 0 HA ILE A 353 -0.260 -6.920 -0.815 1.00 45.24 H new ATOM 0 HB ILE A 353 0.223 -9.680 -2.007 1.00 11.31 H new ATOM 0 HG12 ILE A 353 1.866 -8.070 -0.021 1.00 73.31 H new ATOM 0 HG13 ILE A 353 0.712 -9.304 0.446 1.00 73.31 H new ATOM 0 HG21 ILE A 353 2.327 -8.746 -2.884 1.00 30.31 H new ATOM 0 HG22 ILE A 353 0.904 -7.948 -3.595 1.00 30.31 H new ATOM 0 HG23 ILE A 353 1.839 -7.130 -2.321 1.00 30.31 H new ATOM 0 HD11 ILE A 353 2.992 -10.190 0.452 1.00 73.51 H new ATOM 0 HD12 ILE A 353 2.011 -11.005 -0.789 1.00 73.51 H new ATOM 0 HD13 ILE A 353 3.182 -9.752 -1.263 1.00 73.51 H new ATOM 180 N ALA A 354 -2.147 -8.368 -3.097 1.00 21.14 N ATOM 181 CA ALA A 354 -2.926 -8.137 -4.297 1.00 32.24 C ATOM 182 C ALA A 354 -3.896 -6.974 -4.099 1.00 63.12 C ATOM 183 O ALA A 354 -4.189 -6.264 -5.028 1.00 62.32 O ATOM 184 CB ALA A 354 -3.673 -9.396 -4.715 1.00 15.20 C ATOM 0 H ALA A 354 -2.290 -9.286 -2.675 1.00 21.14 H new ATOM 0 HA ALA A 354 -2.236 -7.873 -5.098 1.00 32.24 H new ATOM 0 HB1 ALA A 354 -4.249 -9.194 -5.618 1.00 15.20 H new ATOM 0 HB2 ALA A 354 -2.958 -10.195 -4.912 1.00 15.20 H new ATOM 0 HB3 ALA A 354 -4.347 -9.702 -3.915 1.00 15.20 H new ATOM 190 N LYS A 355 -4.384 -6.784 -2.869 1.00 45.40 N ATOM 191 CA LYS A 355 -5.300 -5.669 -2.575 1.00 13.34 C ATOM 192 C LYS A 355 -4.533 -4.357 -2.521 1.00 25.14 C ATOM 193 O LYS A 355 -5.083 -3.299 -2.770 1.00 21.22 O ATOM 194 CB LYS A 355 -6.006 -5.828 -1.239 1.00 33.43 C ATOM 195 CG LYS A 355 -6.792 -7.092 -1.026 1.00 12.44 C ATOM 196 CD LYS A 355 -7.458 -7.066 0.348 1.00 23.11 C ATOM 197 CE LYS A 355 -8.545 -6.011 0.426 1.00 44.34 C ATOM 198 NZ LYS A 355 -9.267 -6.039 1.717 1.00 60.52 N ATOM 0 H LYS A 355 -4.166 -7.377 -2.068 1.00 45.40 H new ATOM 0 HA LYS A 355 -6.040 -5.670 -3.375 1.00 13.34 H new ATOM 0 HB2 LYS A 355 -5.257 -5.758 -0.450 1.00 33.43 H new ATOM 0 HB3 LYS A 355 -6.683 -4.983 -1.111 1.00 33.43 H new ATOM 0 HG2 LYS A 355 -7.548 -7.196 -1.804 1.00 12.44 H new ATOM 0 HG3 LYS A 355 -6.134 -7.957 -1.104 1.00 12.44 H new ATOM 0 HD2 LYS A 355 -7.885 -8.045 0.564 1.00 23.11 H new ATOM 0 HD3 LYS A 355 -6.706 -6.871 1.113 1.00 23.11 H new ATOM 0 HE2 LYS A 355 -8.102 -5.026 0.282 1.00 44.34 H new ATOM 0 HE3 LYS A 355 -9.255 -6.164 -0.387 1.00 44.34 H new ATOM 0 HZ1 LYS A 355 -9.999 -5.300 1.721 1.00 60.52 H new ATOM 0 HZ2 LYS A 355 -9.713 -6.970 1.845 1.00 60.52 H new ATOM 0 HZ3 LYS A 355 -8.597 -5.867 2.493 1.00 60.52 H new ATOM 212 N ALA A 356 -3.295 -4.427 -2.138 1.00 73.34 N ATOM 213 CA ALA A 356 -2.465 -3.250 -2.132 1.00 53.10 C ATOM 214 C ALA A 356 -2.147 -2.892 -3.551 1.00 43.13 C ATOM 215 O ALA A 356 -2.389 -1.766 -4.000 1.00 21.11 O ATOM 216 CB ALA A 356 -1.188 -3.489 -1.333 1.00 5.24 C ATOM 0 H ALA A 356 -2.833 -5.281 -1.826 1.00 73.34 H new ATOM 0 HA ALA A 356 -2.995 -2.427 -1.653 1.00 53.10 H new ATOM 0 HB1 ALA A 356 -0.578 -2.586 -1.343 1.00 5.24 H new ATOM 0 HB2 ALA A 356 -1.444 -3.742 -0.304 1.00 5.24 H new ATOM 0 HB3 ALA A 356 -0.628 -4.310 -1.780 1.00 5.24 H new ATOM 222 N LEU A 357 -1.664 -3.887 -4.267 1.00 31.53 N ATOM 223 CA LEU A 357 -1.259 -3.771 -5.649 1.00 10.45 C ATOM 224 C LEU A 357 -2.458 -3.288 -6.465 1.00 54.24 C ATOM 225 O LEU A 357 -2.317 -2.471 -7.363 1.00 20.12 O ATOM 226 CB LEU A 357 -0.865 -5.170 -6.139 1.00 61.11 C ATOM 227 CG LEU A 357 0.372 -5.313 -7.071 1.00 74.10 C ATOM 228 CD1 LEU A 357 0.184 -4.573 -8.388 1.00 12.14 C ATOM 229 CD2 LEU A 357 1.649 -4.839 -6.371 1.00 45.32 C ATOM 0 H LEU A 357 -1.540 -4.826 -3.890 1.00 31.53 H new ATOM 0 HA LEU A 357 -0.427 -3.075 -5.755 1.00 10.45 H new ATOM 0 HB2 LEU A 357 -0.691 -5.791 -5.260 1.00 61.11 H new ATOM 0 HB3 LEU A 357 -1.724 -5.591 -6.662 1.00 61.11 H new ATOM 0 HG LEU A 357 0.474 -6.374 -7.299 1.00 74.10 H new ATOM 0 HD11 LEU A 357 1.072 -4.700 -9.007 1.00 12.14 H new ATOM 0 HD12 LEU A 357 -0.684 -4.976 -8.911 1.00 12.14 H new ATOM 0 HD13 LEU A 357 0.029 -3.512 -8.190 1.00 12.14 H new ATOM 0 HD21 LEU A 357 2.497 -4.951 -7.047 1.00 45.32 H new ATOM 0 HD22 LEU A 357 1.543 -3.791 -6.092 1.00 45.32 H new ATOM 0 HD23 LEU A 357 1.817 -5.438 -5.476 1.00 45.32 H new ATOM 241 N LYS A 358 -3.648 -3.805 -6.108 1.00 3.34 N ATOM 242 CA LYS A 358 -4.895 -3.502 -6.805 1.00 42.14 C ATOM 243 C LYS A 358 -5.215 -2.005 -6.831 1.00 23.15 C ATOM 244 O LYS A 358 -5.894 -1.527 -7.740 1.00 14.43 O ATOM 245 CB LYS A 358 -6.096 -4.256 -6.231 1.00 31.44 C ATOM 246 CG LYS A 358 -6.764 -3.568 -5.108 1.00 10.11 C ATOM 247 CD LYS A 358 -8.034 -4.271 -4.680 1.00 44.44 C ATOM 248 CE LYS A 358 -8.718 -3.523 -3.550 1.00 23.02 C ATOM 249 NZ LYS A 358 -10.012 -4.130 -3.196 1.00 10.50 N ATOM 0 H LYS A 358 -3.764 -4.447 -5.324 1.00 3.34 H new ATOM 0 HA LYS A 358 -4.724 -3.841 -7.827 1.00 42.14 H new ATOM 0 HB2 LYS A 358 -6.823 -4.418 -7.027 1.00 31.44 H new ATOM 0 HB3 LYS A 358 -5.766 -5.239 -5.895 1.00 31.44 H new ATOM 0 HG2 LYS A 358 -6.080 -3.510 -4.261 1.00 10.11 H new ATOM 0 HG3 LYS A 358 -6.998 -2.544 -5.399 1.00 10.11 H new ATOM 0 HD2 LYS A 358 -8.712 -4.352 -5.529 1.00 44.44 H new ATOM 0 HD3 LYS A 358 -7.801 -5.286 -4.360 1.00 44.44 H new ATOM 0 HE2 LYS A 358 -8.069 -3.515 -2.674 1.00 23.02 H new ATOM 0 HE3 LYS A 358 -8.872 -2.484 -3.843 1.00 23.02 H new ATOM 0 HZ1 LYS A 358 -10.448 -3.591 -2.421 1.00 10.50 H new ATOM 0 HZ2 LYS A 358 -10.641 -4.115 -4.024 1.00 10.50 H new ATOM 0 HZ3 LYS A 358 -9.863 -5.113 -2.892 1.00 10.50 H new ATOM 263 N SER A 359 -4.708 -1.277 -5.845 1.00 73.31 N ATOM 264 CA SER A 359 -4.965 0.153 -5.703 1.00 53.34 C ATOM 265 C SER A 359 -4.257 0.967 -6.818 1.00 61.41 C ATOM 266 O SER A 359 -4.456 2.181 -6.957 1.00 3.43 O ATOM 267 CB SER A 359 -4.539 0.617 -4.281 1.00 52.11 C ATOM 268 OG SER A 359 -4.785 2.002 -4.061 1.00 54.22 O ATOM 0 H SER A 359 -4.105 -1.661 -5.118 1.00 73.31 H new ATOM 0 HA SER A 359 -6.033 0.337 -5.819 1.00 53.34 H new ATOM 0 HB2 SER A 359 -5.078 0.033 -3.535 1.00 52.11 H new ATOM 0 HB3 SER A 359 -3.478 0.413 -4.139 1.00 52.11 H new ATOM 0 HG SER A 359 -4.817 2.469 -4.922 1.00 54.22 H new ATOM 274 N THR A 360 -3.461 0.289 -7.607 1.00 31.30 N ATOM 275 CA THR A 360 -2.750 0.879 -8.704 1.00 12.42 C ATOM 276 C THR A 360 -2.404 -0.280 -9.670 1.00 5.25 C ATOM 277 O THR A 360 -1.394 -0.266 -10.381 1.00 54.14 O ATOM 278 CB THR A 360 -1.462 1.573 -8.149 1.00 62.21 C ATOM 279 OG1 THR A 360 -0.763 2.290 -9.179 1.00 4.34 O ATOM 280 CG2 THR A 360 -0.537 0.550 -7.524 1.00 44.23 C ATOM 0 H THR A 360 -3.288 -0.710 -7.498 1.00 31.30 H new ATOM 0 HA THR A 360 -3.333 1.637 -9.228 1.00 12.42 H new ATOM 0 HB THR A 360 -1.778 2.288 -7.389 1.00 62.21 H new ATOM 0 HG1 THR A 360 -0.709 1.735 -9.985 1.00 4.34 H new ATOM 0 HG21 THR A 360 0.354 1.050 -7.143 1.00 44.23 H new ATOM 0 HG22 THR A 360 -1.050 0.048 -6.704 1.00 44.23 H new ATOM 0 HG23 THR A 360 -0.248 -0.185 -8.275 1.00 44.23 H new ATOM 288 N PHE A 361 -3.346 -1.226 -9.746 1.00 5.23 N ATOM 289 CA PHE A 361 -3.193 -2.529 -10.432 1.00 3.31 C ATOM 290 C PHE A 361 -2.919 -2.358 -11.908 1.00 73.31 C ATOM 291 O PHE A 361 -2.363 -3.244 -12.564 1.00 72.30 O ATOM 292 CB PHE A 361 -4.483 -3.319 -10.282 1.00 62.25 C ATOM 293 CG PHE A 361 -4.321 -4.806 -10.452 1.00 4.01 C ATOM 294 CD1 PHE A 361 -3.726 -5.555 -9.447 1.00 51.22 C ATOM 295 CD2 PHE A 361 -4.772 -5.458 -11.589 1.00 61.15 C ATOM 296 CE1 PHE A 361 -3.575 -6.910 -9.564 1.00 53.20 C ATOM 297 CE2 PHE A 361 -4.622 -6.829 -11.718 1.00 73.02 C ATOM 298 CZ PHE A 361 -4.023 -7.556 -10.701 1.00 50.14 C ATOM 0 H PHE A 361 -4.266 -1.110 -9.322 1.00 5.23 H new ATOM 0 HA PHE A 361 -2.349 -3.048 -9.978 1.00 3.31 H new ATOM 0 HB2 PHE A 361 -4.904 -3.121 -9.296 1.00 62.25 H new ATOM 0 HB3 PHE A 361 -5.204 -2.958 -11.015 1.00 62.25 H new ATOM 0 HD1 PHE A 361 -3.375 -5.059 -8.554 1.00 51.22 H new ATOM 0 HD2 PHE A 361 -5.244 -4.893 -12.380 1.00 61.15 H new ATOM 0 HE1 PHE A 361 -3.107 -7.473 -8.770 1.00 53.20 H new ATOM 0 HE2 PHE A 361 -4.971 -7.330 -12.609 1.00 73.02 H new ATOM 0 HZ PHE A 361 -3.907 -8.625 -10.797 1.00 50.14 H new ATOM 308 N ASP A 362 -3.284 -1.223 -12.410 1.00 54.20 N ATOM 309 CA ASP A 362 -3.171 -0.933 -13.826 1.00 64.04 C ATOM 310 C ASP A 362 -1.761 -0.479 -14.165 1.00 64.42 C ATOM 311 O ASP A 362 -1.415 -0.272 -15.331 1.00 15.53 O ATOM 312 CB ASP A 362 -4.201 0.119 -14.246 1.00 71.33 C ATOM 313 CG ASP A 362 -3.997 1.465 -13.601 1.00 71.42 C ATOM 314 OD1 ASP A 362 -4.236 1.600 -12.378 1.00 60.53 O ATOM 315 OD2 ASP A 362 -3.634 2.421 -14.309 1.00 53.35 O ATOM 0 H ASP A 362 -3.672 -0.459 -11.857 1.00 54.20 H new ATOM 0 HA ASP A 362 -3.377 -1.847 -14.383 1.00 64.04 H new ATOM 0 HB2 ASP A 362 -4.164 0.237 -15.329 1.00 71.33 H new ATOM 0 HB3 ASP A 362 -5.198 -0.244 -13.998 1.00 71.33 H new ATOM 320 N GLY A 363 -0.959 -0.329 -13.151 1.00 12.23 N ATOM 321 CA GLY A 363 0.397 0.039 -13.332 1.00 3.15 C ATOM 322 C GLY A 363 1.302 -0.852 -12.538 1.00 51.12 C ATOM 323 O GLY A 363 1.528 -2.009 -12.904 1.00 60.41 O ATOM 0 H GLY A 363 -1.236 -0.461 -12.178 1.00 12.23 H new ATOM 0 HA2 GLY A 363 0.656 -0.021 -14.389 1.00 3.15 H new ATOM 0 HA3 GLY A 363 0.541 1.075 -13.027 1.00 3.15 H new ATOM 327 N ARG A 364 1.785 -0.338 -11.441 1.00 11.51 N ATOM 328 CA ARG A 364 2.701 -1.037 -10.589 1.00 41.40 C ATOM 329 C ARG A 364 2.672 -0.439 -9.234 1.00 62.11 C ATOM 330 O ARG A 364 2.264 0.714 -9.097 1.00 44.34 O ATOM 331 CB ARG A 364 4.121 -1.050 -11.220 1.00 63.31 C ATOM 332 CG ARG A 364 4.714 0.296 -11.778 1.00 71.21 C ATOM 333 CD ARG A 364 5.381 1.240 -10.751 1.00 21.53 C ATOM 334 NE ARG A 364 4.467 1.932 -9.836 1.00 54.13 N ATOM 335 CZ ARG A 364 4.712 3.117 -9.252 1.00 22.31 C ATOM 336 NH1 ARG A 364 5.813 3.805 -9.550 1.00 21.32 N ATOM 337 NH2 ARG A 364 3.844 3.615 -8.375 1.00 40.40 N ATOM 0 H ARG A 364 1.547 0.597 -11.109 1.00 11.51 H new ATOM 0 HA ARG A 364 2.400 -2.080 -10.488 1.00 41.40 H new ATOM 0 HB2 ARG A 364 4.813 -1.429 -10.468 1.00 63.31 H new ATOM 0 HB3 ARG A 364 4.112 -1.771 -12.037 1.00 63.31 H new ATOM 0 HG2 ARG A 364 5.450 0.052 -12.544 1.00 71.21 H new ATOM 0 HG3 ARG A 364 3.911 0.843 -12.271 1.00 71.21 H new ATOM 0 HD2 ARG A 364 6.089 0.660 -10.159 1.00 21.53 H new ATOM 0 HD3 ARG A 364 5.958 1.989 -11.294 1.00 21.53 H new ATOM 0 HE ARG A 364 3.577 1.479 -9.627 1.00 54.13 H new ATOM 0 HH11 ARG A 364 6.479 3.433 -10.227 1.00 21.32 H new ATOM 0 HH12 ARG A 364 5.990 4.704 -9.101 1.00 21.32 H new ATOM 0 HH21 ARG A 364 2.995 3.097 -8.147 1.00 40.40 H new ATOM 0 HH22 ARG A 364 4.028 4.514 -7.930 1.00 40.40 H new ATOM 351 N MET A 365 3.067 -1.168 -8.233 1.00 24.24 N ATOM 352 CA MET A 365 3.080 -0.595 -6.920 1.00 65.11 C ATOM 353 C MET A 365 4.475 -0.636 -6.413 1.00 73.41 C ATOM 354 O MET A 365 5.233 -1.563 -6.732 1.00 74.45 O ATOM 355 CB MET A 365 2.169 -1.335 -5.938 1.00 64.33 C ATOM 356 CG MET A 365 1.761 -0.482 -4.764 1.00 74.34 C ATOM 357 SD MET A 365 0.667 -1.308 -3.633 1.00 25.34 S ATOM 358 CE MET A 365 0.193 0.059 -2.590 1.00 61.34 C ATOM 0 H MET A 365 3.378 -2.138 -8.296 1.00 24.24 H new ATOM 0 HA MET A 365 2.705 0.426 -6.995 1.00 65.11 H new ATOM 0 HB2 MET A 365 1.276 -1.674 -6.463 1.00 64.33 H new ATOM 0 HB3 MET A 365 2.682 -2.225 -5.574 1.00 64.33 H new ATOM 0 HG2 MET A 365 2.655 -0.166 -4.227 1.00 74.34 H new ATOM 0 HG3 MET A 365 1.275 0.421 -5.133 1.00 74.34 H new ATOM 0 HE1 MET A 365 0.471 -0.157 -1.558 1.00 61.34 H new ATOM 0 HE2 MET A 365 0.703 0.963 -2.921 1.00 61.34 H new ATOM 0 HE3 MET A 365 -0.885 0.207 -2.652 1.00 61.34 H new ATOM 368 N ARG A 366 4.842 0.351 -5.672 1.00 21.44 N ATOM 369 CA ARG A 366 6.117 0.363 -5.087 1.00 2.14 C ATOM 370 C ARG A 366 6.072 -0.380 -3.788 1.00 35.23 C ATOM 371 O ARG A 366 5.072 -0.323 -3.060 1.00 41.02 O ATOM 372 CB ARG A 366 6.623 1.757 -4.946 1.00 0.10 C ATOM 373 CG ARG A 366 6.762 2.399 -6.301 1.00 10.04 C ATOM 374 CD ARG A 366 7.453 3.704 -6.237 1.00 15.32 C ATOM 375 NE ARG A 366 6.738 4.694 -5.441 1.00 22.11 N ATOM 376 CZ ARG A 366 7.143 5.949 -5.271 1.00 42.32 C ATOM 377 NH1 ARG A 366 8.180 6.418 -5.969 1.00 5.43 N ATOM 378 NH2 ARG A 366 6.489 6.747 -4.443 1.00 61.54 N ATOM 0 H ARG A 366 4.263 1.164 -5.461 1.00 21.44 H new ATOM 0 HA ARG A 366 6.829 -0.149 -5.735 1.00 2.14 H new ATOM 0 HB2 ARG A 366 5.939 2.339 -4.328 1.00 0.10 H new ATOM 0 HB3 ARG A 366 7.587 1.752 -4.437 1.00 0.10 H new ATOM 0 HG2 ARG A 366 7.314 1.731 -6.962 1.00 10.04 H new ATOM 0 HG3 ARG A 366 5.773 2.535 -6.739 1.00 10.04 H new ATOM 0 HD2 ARG A 366 8.449 3.560 -5.817 1.00 15.32 H new ATOM 0 HD3 ARG A 366 7.586 4.088 -7.249 1.00 15.32 H new ATOM 0 HE ARG A 366 5.872 4.406 -4.986 1.00 22.11 H new ATOM 0 HH11 ARG A 366 8.663 5.813 -6.634 1.00 5.43 H new ATOM 0 HH12 ARG A 366 8.490 7.381 -5.838 1.00 5.43 H new ATOM 0 HH21 ARG A 366 5.675 6.399 -3.936 1.00 61.54 H new ATOM 0 HH22 ARG A 366 6.799 7.710 -4.312 1.00 61.54 H new ATOM 392 N LEU A 367 7.129 -1.067 -3.495 1.00 31.34 N ATOM 393 CA LEU A 367 7.187 -1.974 -2.372 1.00 24.41 C ATOM 394 C LEU A 367 7.025 -1.252 -1.036 1.00 32.20 C ATOM 395 O LEU A 367 6.374 -1.759 -0.122 1.00 41.43 O ATOM 396 CB LEU A 367 8.459 -2.820 -2.482 1.00 14.24 C ATOM 397 CG LEU A 367 8.739 -3.885 -1.420 1.00 70.40 C ATOM 398 CD1 LEU A 367 7.500 -4.714 -1.121 1.00 31.13 C ATOM 399 CD2 LEU A 367 9.827 -4.800 -1.955 1.00 30.33 C ATOM 0 H LEU A 367 7.995 -1.020 -4.032 1.00 31.34 H new ATOM 0 HA LEU A 367 6.337 -2.655 -2.404 1.00 24.41 H new ATOM 0 HB2 LEU A 367 8.439 -3.319 -3.451 1.00 14.24 H new ATOM 0 HB3 LEU A 367 9.308 -2.137 -2.494 1.00 14.24 H new ATOM 0 HG LEU A 367 9.045 -3.394 -0.496 1.00 70.40 H new ATOM 0 HD11 LEU A 367 7.736 -5.460 -0.362 1.00 31.13 H new ATOM 0 HD12 LEU A 367 6.706 -4.063 -0.755 1.00 31.13 H new ATOM 0 HD13 LEU A 367 7.168 -5.214 -2.031 1.00 31.13 H new ATOM 0 HD21 LEU A 367 10.049 -5.572 -1.218 1.00 30.33 H new ATOM 0 HD22 LEU A 367 9.487 -5.268 -2.879 1.00 30.33 H new ATOM 0 HD23 LEU A 367 10.727 -4.218 -2.153 1.00 30.33 H new ATOM 411 N ASN A 368 7.555 -0.047 -0.955 1.00 13.34 N ATOM 412 CA ASN A 368 7.415 0.773 0.257 1.00 23.32 C ATOM 413 C ASN A 368 5.957 1.159 0.439 1.00 73.21 C ATOM 414 O ASN A 368 5.450 1.247 1.561 1.00 11.02 O ATOM 415 CB ASN A 368 8.239 2.061 0.146 1.00 3.45 C ATOM 416 CG ASN A 368 9.686 1.825 -0.210 1.00 63.42 C ATOM 417 OD1 ASN A 368 10.042 1.804 -1.389 1.00 32.44 O ATOM 418 ND2 ASN A 368 10.522 1.660 0.770 1.00 10.04 N ATOM 0 H ASN A 368 8.087 0.394 -1.705 1.00 13.34 H new ATOM 0 HA ASN A 368 7.772 0.188 1.105 1.00 23.32 H new ATOM 0 HB2 ASN A 368 7.789 2.706 -0.608 1.00 3.45 H new ATOM 0 HB3 ASN A 368 8.190 2.597 1.094 1.00 3.45 H new ATOM 0 HD21 ASN A 368 11.512 1.507 0.576 1.00 10.04 H new ATOM 0 HD22 ASN A 368 10.189 1.684 1.734 1.00 10.04 H new ATOM 425 N GLU A 369 5.277 1.358 -0.679 1.00 1.34 N ATOM 426 CA GLU A 369 3.900 1.784 -0.671 1.00 51.23 C ATOM 427 C GLU A 369 2.955 0.660 -0.317 1.00 34.30 C ATOM 428 O GLU A 369 1.906 0.903 0.285 1.00 35.40 O ATOM 429 CB GLU A 369 3.518 2.460 -1.963 1.00 12.31 C ATOM 430 CG GLU A 369 4.366 3.680 -2.243 1.00 41.12 C ATOM 431 CD GLU A 369 3.871 4.464 -3.401 1.00 41.51 C ATOM 432 OE1 GLU A 369 4.271 4.185 -4.536 1.00 63.44 O ATOM 433 OE2 GLU A 369 3.069 5.387 -3.190 1.00 62.11 O ATOM 0 H GLU A 369 5.669 1.227 -1.611 1.00 1.34 H new ATOM 0 HA GLU A 369 3.804 2.528 0.120 1.00 51.23 H new ATOM 0 HB2 GLU A 369 3.621 1.752 -2.785 1.00 12.31 H new ATOM 0 HB3 GLU A 369 2.468 2.751 -1.922 1.00 12.31 H new ATOM 0 HG2 GLU A 369 4.384 4.317 -1.358 1.00 41.12 H new ATOM 0 HG3 GLU A 369 5.393 3.369 -2.432 1.00 41.12 H new ATOM 440 N ILE A 370 3.301 -0.563 -0.717 1.00 61.15 N ATOM 441 CA ILE A 370 2.581 -1.759 -0.264 1.00 31.21 C ATOM 442 C ILE A 370 2.540 -1.777 1.255 1.00 51.42 C ATOM 443 O ILE A 370 1.496 -2.007 1.861 1.00 14.54 O ATOM 444 CB ILE A 370 3.280 -3.036 -0.777 1.00 20.13 C ATOM 445 CG1 ILE A 370 3.183 -3.089 -2.290 1.00 42.21 C ATOM 446 CG2 ILE A 370 2.710 -4.322 -0.132 1.00 24.11 C ATOM 447 CD1 ILE A 370 3.894 -4.238 -2.880 1.00 44.13 C ATOM 0 H ILE A 370 4.075 -0.755 -1.354 1.00 61.15 H new ATOM 0 HA ILE A 370 1.566 -1.732 -0.661 1.00 31.21 H new ATOM 0 HB ILE A 370 4.329 -2.990 -0.483 1.00 20.13 H new ATOM 0 HG12 ILE A 370 2.133 -3.133 -2.578 1.00 42.21 H new ATOM 0 HG13 ILE A 370 3.589 -2.167 -2.706 1.00 42.21 H new ATOM 0 HG21 ILE A 370 3.236 -5.191 -0.527 1.00 24.11 H new ATOM 0 HG22 ILE A 370 2.844 -4.277 0.949 1.00 24.11 H new ATOM 0 HG23 ILE A 370 1.648 -4.405 -0.363 1.00 24.11 H new ATOM 0 HD11 ILE A 370 3.785 -4.216 -3.964 1.00 44.13 H new ATOM 0 HD12 ILE A 370 4.951 -4.184 -2.621 1.00 44.13 H new ATOM 0 HD13 ILE A 370 3.472 -5.165 -2.492 1.00 44.13 H new ATOM 459 N TYR A 371 3.678 -1.487 1.860 1.00 74.21 N ATOM 460 CA TYR A 371 3.779 -1.416 3.305 1.00 11.24 C ATOM 461 C TYR A 371 2.842 -0.352 3.862 1.00 0.54 C ATOM 462 O TYR A 371 2.139 -0.577 4.854 1.00 62.02 O ATOM 463 CB TYR A 371 5.208 -1.128 3.737 1.00 4.14 C ATOM 464 CG TYR A 371 6.212 -2.190 3.370 1.00 32.21 C ATOM 465 CD1 TYR A 371 5.927 -3.533 3.536 1.00 32.32 C ATOM 466 CD2 TYR A 371 7.462 -1.845 2.896 1.00 3.23 C ATOM 467 CE1 TYR A 371 6.858 -4.495 3.237 1.00 52.24 C ATOM 468 CE2 TYR A 371 8.396 -2.800 2.587 1.00 64.55 C ATOM 469 CZ TYR A 371 8.089 -4.126 2.760 1.00 33.23 C ATOM 470 OH TYR A 371 9.024 -5.086 2.473 1.00 15.44 O ATOM 0 H TYR A 371 4.551 -1.296 1.368 1.00 74.21 H new ATOM 0 HA TYR A 371 3.484 -2.386 3.706 1.00 11.24 H new ATOM 0 HB2 TYR A 371 5.522 -0.184 3.293 1.00 4.14 H new ATOM 0 HB3 TYR A 371 5.224 -0.993 4.818 1.00 4.14 H new ATOM 0 HD1 TYR A 371 4.957 -3.829 3.907 1.00 32.32 H new ATOM 0 HD2 TYR A 371 7.709 -0.802 2.766 1.00 3.23 H new ATOM 0 HE1 TYR A 371 6.622 -5.540 3.377 1.00 52.24 H new ATOM 0 HE2 TYR A 371 9.366 -2.511 2.210 1.00 64.55 H new ATOM 0 HH TYR A 371 9.011 -5.774 3.170 1.00 15.44 H new ATOM 480 N ASN A 372 2.820 0.785 3.200 1.00 74.42 N ATOM 481 CA ASN A 372 1.948 1.906 3.590 1.00 62.11 C ATOM 482 C ASN A 372 0.489 1.482 3.536 1.00 71.33 C ATOM 483 O ASN A 372 -0.304 1.879 4.376 1.00 63.12 O ATOM 484 CB ASN A 372 2.131 3.135 2.680 1.00 74.34 C ATOM 485 CG ASN A 372 3.528 3.716 2.672 1.00 40.53 C ATOM 486 OD1 ASN A 372 4.271 3.627 3.650 1.00 10.12 O ATOM 487 ND2 ASN A 372 3.887 4.339 1.573 1.00 41.32 N ATOM 0 H ASN A 372 3.397 0.972 2.380 1.00 74.42 H new ATOM 0 HA ASN A 372 2.232 2.182 4.606 1.00 62.11 H new ATOM 0 HB2 ASN A 372 1.862 2.858 1.661 1.00 74.34 H new ATOM 0 HB3 ASN A 372 1.432 3.910 2.995 1.00 74.34 H new ATOM 0 HD21 ASN A 372 4.809 4.770 1.509 1.00 41.32 H new ATOM 0 HD22 ASN A 372 3.244 4.392 0.783 1.00 41.32 H new ATOM 494 N TRP A 373 0.149 0.657 2.544 1.00 72.43 N ATOM 495 CA TRP A 373 -1.210 0.173 2.362 1.00 1.42 C ATOM 496 C TRP A 373 -1.670 -0.581 3.587 1.00 51.52 C ATOM 497 O TRP A 373 -2.748 -0.315 4.110 1.00 20.41 O ATOM 498 CB TRP A 373 -1.307 -0.723 1.128 1.00 71.43 C ATOM 499 CG TRP A 373 -2.698 -1.234 0.836 1.00 40.14 C ATOM 500 CD1 TRP A 373 -3.617 -0.668 0.004 1.00 64.12 C ATOM 501 CD2 TRP A 373 -3.319 -2.428 1.363 1.00 70.41 C ATOM 502 NE1 TRP A 373 -4.759 -1.426 -0.024 1.00 22.01 N ATOM 503 CE2 TRP A 373 -4.600 -2.512 0.803 1.00 71.05 C ATOM 504 CE3 TRP A 373 -2.904 -3.427 2.251 1.00 5.02 C ATOM 505 CZ2 TRP A 373 -5.476 -3.559 1.099 1.00 31.02 C ATOM 506 CZ3 TRP A 373 -3.774 -4.466 2.542 1.00 74.33 C ATOM 507 CH2 TRP A 373 -5.049 -4.524 1.965 1.00 30.20 C ATOM 0 H TRP A 373 0.810 0.310 1.849 1.00 72.43 H new ATOM 0 HA TRP A 373 -1.859 1.036 2.214 1.00 1.42 H new ATOM 0 HB2 TRP A 373 -0.948 -0.168 0.262 1.00 71.43 H new ATOM 0 HB3 TRP A 373 -0.640 -1.575 1.259 1.00 71.43 H new ATOM 0 HD1 TRP A 373 -3.467 0.245 -0.553 1.00 64.12 H new ATOM 0 HE1 TRP A 373 -5.594 -1.217 -0.572 1.00 22.01 H new ATOM 0 HE3 TRP A 373 -1.923 -3.389 2.702 1.00 5.02 H new ATOM 0 HZ2 TRP A 373 -6.460 -3.604 0.657 1.00 31.02 H new ATOM 0 HZ3 TRP A 373 -3.464 -5.243 3.225 1.00 74.33 H new ATOM 0 HH2 TRP A 373 -5.705 -5.346 2.209 1.00 30.20 H new ATOM 518 N PHE A 374 -0.846 -1.508 4.051 1.00 75.33 N ATOM 519 CA PHE A 374 -1.177 -2.300 5.233 1.00 32.42 C ATOM 520 C PHE A 374 -1.328 -1.426 6.450 1.00 73.22 C ATOM 521 O PHE A 374 -2.258 -1.585 7.216 1.00 13.21 O ATOM 522 CB PHE A 374 -0.142 -3.397 5.502 1.00 31.53 C ATOM 523 CG PHE A 374 -0.128 -4.531 4.520 1.00 21.12 C ATOM 524 CD1 PHE A 374 0.617 -4.463 3.364 1.00 54.14 C ATOM 525 CD2 PHE A 374 -0.856 -5.676 4.773 1.00 74.44 C ATOM 526 CE1 PHE A 374 0.634 -5.516 2.472 1.00 23.51 C ATOM 527 CE2 PHE A 374 -0.842 -6.727 3.887 1.00 35.31 C ATOM 528 CZ PHE A 374 -0.097 -6.649 2.735 1.00 62.13 C ATOM 0 H PHE A 374 0.056 -1.733 3.630 1.00 75.33 H new ATOM 0 HA PHE A 374 -2.131 -2.784 5.025 1.00 32.42 H new ATOM 0 HB2 PHE A 374 0.848 -2.941 5.517 1.00 31.53 H new ATOM 0 HB3 PHE A 374 -0.321 -3.804 6.497 1.00 31.53 H new ATOM 0 HD1 PHE A 374 1.195 -3.575 3.153 1.00 54.14 H new ATOM 0 HD2 PHE A 374 -1.443 -5.747 5.677 1.00 74.44 H new ATOM 0 HE1 PHE A 374 1.221 -5.449 1.568 1.00 23.51 H new ATOM 0 HE2 PHE A 374 -1.418 -7.616 4.097 1.00 35.31 H new ATOM 0 HZ PHE A 374 -0.086 -7.475 2.039 1.00 62.13 H new ATOM 538 N ALA A 375 -0.441 -0.493 6.599 1.00 34.23 N ATOM 539 CA ALA A 375 -0.462 0.396 7.751 1.00 74.23 C ATOM 540 C ALA A 375 -1.688 1.317 7.720 1.00 31.41 C ATOM 541 O ALA A 375 -2.311 1.584 8.746 1.00 14.31 O ATOM 542 CB ALA A 375 0.818 1.209 7.809 1.00 65.24 C ATOM 0 H ALA A 375 0.317 -0.315 5.941 1.00 34.23 H new ATOM 0 HA ALA A 375 -0.530 -0.215 8.651 1.00 74.23 H new ATOM 0 HB1 ALA A 375 0.790 1.870 8.675 1.00 65.24 H new ATOM 0 HB2 ALA A 375 1.672 0.537 7.893 1.00 65.24 H new ATOM 0 HB3 ALA A 375 0.912 1.804 6.901 1.00 65.24 H new ATOM 548 N SER A 376 -2.024 1.774 6.554 1.00 22.20 N ATOM 549 CA SER A 376 -3.127 2.684 6.363 1.00 21.34 C ATOM 550 C SER A 376 -4.501 1.966 6.384 1.00 24.32 C ATOM 551 O SER A 376 -5.495 2.541 6.842 1.00 72.00 O ATOM 552 CB SER A 376 -2.928 3.473 5.052 1.00 13.14 C ATOM 553 OG SER A 376 -3.939 4.447 4.850 1.00 53.32 O ATOM 0 H SER A 376 -1.538 1.526 5.692 1.00 22.20 H new ATOM 0 HA SER A 376 -3.136 3.379 7.203 1.00 21.34 H new ATOM 0 HB2 SER A 376 -1.954 3.962 5.069 1.00 13.14 H new ATOM 0 HB3 SER A 376 -2.922 2.780 4.211 1.00 13.14 H new ATOM 0 HG SER A 376 -3.772 4.923 4.010 1.00 53.32 H new ATOM 559 N ASN A 377 -4.563 0.715 5.919 1.00 13.22 N ATOM 560 CA ASN A 377 -5.862 0.022 5.833 1.00 34.20 C ATOM 561 C ASN A 377 -6.078 -0.987 6.941 1.00 61.42 C ATOM 562 O ASN A 377 -7.217 -1.285 7.299 1.00 5.04 O ATOM 563 CB ASN A 377 -6.056 -0.652 4.465 1.00 42.24 C ATOM 564 CG ASN A 377 -6.151 0.337 3.320 1.00 53.54 C ATOM 565 OD1 ASN A 377 -7.244 0.784 2.952 1.00 65.22 O ATOM 566 ND2 ASN A 377 -5.029 0.681 2.753 1.00 72.12 N ATOM 0 H ASN A 377 -3.760 0.171 5.604 1.00 13.22 H new ATOM 0 HA ASN A 377 -6.614 0.802 5.956 1.00 34.20 H new ATOM 0 HB2 ASN A 377 -5.224 -1.332 4.281 1.00 42.24 H new ATOM 0 HB3 ASN A 377 -6.963 -1.257 4.490 1.00 42.24 H new ATOM 0 HD21 ASN A 377 -5.032 1.342 1.976 1.00 72.12 H new ATOM 0 HD22 ASN A 377 -4.148 0.290 3.086 1.00 72.12 H new ATOM 573 N VAL A 378 -5.013 -1.499 7.499 1.00 62.15 N ATOM 574 CA VAL A 378 -5.122 -2.483 8.547 1.00 23.13 C ATOM 575 C VAL A 378 -4.727 -1.848 9.873 1.00 12.25 C ATOM 576 O VAL A 378 -3.589 -1.382 10.034 1.00 72.22 O ATOM 577 CB VAL A 378 -4.236 -3.726 8.270 1.00 60.10 C ATOM 578 CG1 VAL A 378 -4.406 -4.785 9.362 1.00 2.41 C ATOM 579 CG2 VAL A 378 -4.549 -4.315 6.904 1.00 13.14 C ATOM 0 H VAL A 378 -4.057 -1.251 7.245 1.00 62.15 H new ATOM 0 HA VAL A 378 -6.157 -2.824 8.586 1.00 23.13 H new ATOM 0 HB VAL A 378 -3.196 -3.400 8.278 1.00 60.10 H new ATOM 0 HG11 VAL A 378 -3.772 -5.643 9.139 1.00 2.41 H new ATOM 0 HG12 VAL A 378 -4.120 -4.363 10.325 1.00 2.41 H new ATOM 0 HG13 VAL A 378 -5.448 -5.104 9.401 1.00 2.41 H new ATOM 0 HG21 VAL A 378 -3.917 -5.186 6.730 1.00 13.14 H new ATOM 0 HG22 VAL A 378 -5.597 -4.614 6.868 1.00 13.14 H new ATOM 0 HG23 VAL A 378 -4.358 -3.568 6.133 1.00 13.14 H new ATOM 589 N PRO A 379 -5.649 -1.842 10.845 1.00 74.21 N ATOM 590 CA PRO A 379 -5.443 -1.194 12.147 1.00 4.35 C ATOM 591 C PRO A 379 -4.256 -1.774 12.910 1.00 53.51 C ATOM 592 O PRO A 379 -3.598 -1.068 13.685 1.00 31.32 O ATOM 593 CB PRO A 379 -6.752 -1.442 12.908 1.00 40.31 C ATOM 594 CG PRO A 379 -7.461 -2.522 12.159 1.00 51.24 C ATOM 595 CD PRO A 379 -6.970 -2.473 10.744 1.00 25.12 C ATOM 0 HA PRO A 379 -5.211 -0.136 12.029 1.00 4.35 H new ATOM 0 HB2 PRO A 379 -6.555 -1.744 13.937 1.00 40.31 H new ATOM 0 HB3 PRO A 379 -7.356 -0.536 12.952 1.00 40.31 H new ATOM 0 HG2 PRO A 379 -7.258 -3.496 12.604 1.00 51.24 H new ATOM 0 HG3 PRO A 379 -8.540 -2.373 12.198 1.00 51.24 H new ATOM 0 HD2 PRO A 379 -6.903 -3.471 10.311 1.00 25.12 H new ATOM 0 HD3 PRO A 379 -7.641 -1.894 10.109 1.00 25.12 H new ATOM 603 N TYR A 380 -3.973 -3.047 12.666 1.00 42.31 N ATOM 604 CA TYR A 380 -2.879 -3.735 13.297 1.00 14.15 C ATOM 605 C TYR A 380 -1.550 -3.103 12.873 1.00 60.31 C ATOM 606 O TYR A 380 -0.673 -2.848 13.704 1.00 63.24 O ATOM 607 CB TYR A 380 -2.928 -5.204 12.879 1.00 72.14 C ATOM 608 CG TYR A 380 -1.943 -6.091 13.582 1.00 75.31 C ATOM 609 CD1 TYR A 380 -2.204 -6.543 14.861 1.00 32.13 C ATOM 610 CD2 TYR A 380 -0.768 -6.491 12.970 1.00 31.10 C ATOM 611 CE1 TYR A 380 -1.326 -7.364 15.515 1.00 45.35 C ATOM 612 CE2 TYR A 380 0.121 -7.321 13.614 1.00 11.21 C ATOM 613 CZ TYR A 380 -0.164 -7.754 14.893 1.00 23.05 C ATOM 614 OH TYR A 380 0.708 -8.596 15.544 1.00 1.23 O ATOM 0 H TYR A 380 -4.507 -3.626 12.018 1.00 42.31 H new ATOM 0 HA TYR A 380 -2.961 -3.658 14.381 1.00 14.15 H new ATOM 0 HB2 TYR A 380 -3.933 -5.585 13.060 1.00 72.14 H new ATOM 0 HB3 TYR A 380 -2.751 -5.268 11.805 1.00 72.14 H new ATOM 0 HD1 TYR A 380 -3.117 -6.243 15.354 1.00 32.13 H new ATOM 0 HD2 TYR A 380 -0.545 -6.146 11.971 1.00 31.10 H new ATOM 0 HE1 TYR A 380 -1.545 -7.704 16.516 1.00 45.35 H new ATOM 0 HE2 TYR A 380 1.032 -7.630 13.124 1.00 11.21 H new ATOM 0 HH TYR A 380 1.480 -8.776 14.968 1.00 1.23 H new ATOM 624 N PHE A 381 -1.414 -2.847 11.580 1.00 34.22 N ATOM 625 CA PHE A 381 -0.205 -2.268 11.033 1.00 41.14 C ATOM 626 C PHE A 381 -0.101 -0.800 11.278 1.00 2.43 C ATOM 627 O PHE A 381 0.983 -0.273 11.371 1.00 30.05 O ATOM 628 CB PHE A 381 0.001 -2.644 9.595 1.00 43.40 C ATOM 629 CG PHE A 381 0.080 -4.107 9.457 1.00 4.11 C ATOM 630 CD1 PHE A 381 1.020 -4.819 10.169 1.00 11.14 C ATOM 631 CD2 PHE A 381 -0.789 -4.778 8.653 1.00 75.01 C ATOM 632 CE1 PHE A 381 1.083 -6.173 10.077 1.00 23.02 C ATOM 633 CE2 PHE A 381 -0.731 -6.128 8.546 1.00 61.12 C ATOM 634 CZ PHE A 381 0.210 -6.832 9.268 1.00 42.32 C ATOM 0 H PHE A 381 -2.138 -3.035 10.887 1.00 34.22 H new ATOM 0 HA PHE A 381 0.626 -2.709 11.584 1.00 41.14 H new ATOM 0 HB2 PHE A 381 -0.820 -2.258 8.990 1.00 43.40 H new ATOM 0 HB3 PHE A 381 0.916 -2.186 9.220 1.00 43.40 H new ATOM 0 HD1 PHE A 381 1.715 -4.295 10.808 1.00 11.14 H new ATOM 0 HD2 PHE A 381 -1.533 -4.229 8.094 1.00 75.01 H new ATOM 0 HE1 PHE A 381 1.821 -6.723 10.642 1.00 23.02 H new ATOM 0 HE2 PHE A 381 -1.419 -6.650 7.898 1.00 61.12 H new ATOM 0 HZ PHE A 381 0.254 -7.908 9.191 1.00 42.32 H new ATOM 644 N GLY A 382 -1.240 -0.131 11.382 1.00 33.31 N ATOM 645 CA GLY A 382 -1.237 1.285 11.739 1.00 0.25 C ATOM 646 C GLY A 382 -0.622 1.502 13.123 1.00 44.43 C ATOM 647 O GLY A 382 -0.189 2.602 13.471 1.00 30.40 O ATOM 0 H GLY A 382 -2.164 -0.534 11.228 1.00 33.31 H new ATOM 0 HA2 GLY A 382 -0.675 1.850 10.995 1.00 0.25 H new ATOM 0 HA3 GLY A 382 -2.257 1.669 11.727 1.00 0.25 H new ATOM 651 N ASN A 383 -0.590 0.429 13.893 1.00 63.55 N ATOM 652 CA ASN A 383 -0.005 0.375 15.207 1.00 11.44 C ATOM 653 C ASN A 383 1.500 -0.003 15.133 1.00 0.22 C ATOM 654 O ASN A 383 2.252 0.189 16.083 1.00 25.12 O ATOM 655 CB ASN A 383 -0.841 -0.634 16.023 1.00 72.14 C ATOM 656 CG ASN A 383 -0.077 -1.413 17.047 1.00 42.52 C ATOM 657 OD1 ASN A 383 0.074 -1.005 18.198 1.00 41.51 O ATOM 658 ND2 ASN A 383 0.373 -2.567 16.637 1.00 11.44 N ATOM 0 H ASN A 383 -0.990 -0.463 13.601 1.00 63.55 H new ATOM 0 HA ASN A 383 -0.029 1.349 15.696 1.00 11.44 H new ATOM 0 HB2 ASN A 383 -1.644 -0.094 16.525 1.00 72.14 H new ATOM 0 HB3 ASN A 383 -1.311 -1.335 15.333 1.00 72.14 H new ATOM 0 HD21 ASN A 383 0.876 -3.176 17.282 1.00 11.44 H new ATOM 0 HD22 ASN A 383 0.222 -2.860 15.672 1.00 11.44 H new ATOM 665 N ARG A 384 1.927 -0.501 13.985 1.00 73.45 N ATOM 666 CA ARG A 384 3.318 -0.861 13.761 1.00 44.21 C ATOM 667 C ARG A 384 3.881 -0.103 12.575 1.00 44.10 C ATOM 668 O ARG A 384 4.054 -0.667 11.490 1.00 32.12 O ATOM 669 CB ARG A 384 3.520 -2.365 13.546 1.00 63.25 C ATOM 670 CG ARG A 384 3.259 -3.245 14.746 1.00 34.42 C ATOM 671 CD ARG A 384 3.568 -4.689 14.400 1.00 23.23 C ATOM 672 NE ARG A 384 3.402 -5.590 15.535 1.00 54.42 N ATOM 673 CZ ARG A 384 3.560 -6.915 15.483 1.00 10.45 C ATOM 674 NH1 ARG A 384 3.922 -7.504 14.345 1.00 5.43 N ATOM 675 NH2 ARG A 384 3.383 -7.650 16.574 1.00 54.31 N ATOM 0 H ARG A 384 1.320 -0.667 13.182 1.00 73.45 H new ATOM 0 HA ARG A 384 3.854 -0.585 14.669 1.00 44.21 H new ATOM 0 HB2 ARG A 384 2.867 -2.687 12.735 1.00 63.25 H new ATOM 0 HB3 ARG A 384 4.545 -2.530 13.215 1.00 63.25 H new ATOM 0 HG2 ARG A 384 3.875 -2.923 15.586 1.00 34.42 H new ATOM 0 HG3 ARG A 384 2.219 -3.151 15.059 1.00 34.42 H new ATOM 0 HD2 ARG A 384 2.916 -5.011 13.588 1.00 23.23 H new ATOM 0 HD3 ARG A 384 4.592 -4.759 14.033 1.00 23.23 H new ATOM 0 HE ARG A 384 3.147 -5.178 16.433 1.00 54.42 H new ATOM 0 HH11 ARG A 384 4.080 -6.943 13.508 1.00 5.43 H new ATOM 0 HH12 ARG A 384 4.041 -8.516 14.310 1.00 5.43 H new ATOM 0 HH21 ARG A 384 3.126 -7.203 17.454 1.00 54.31 H new ATOM 0 HH22 ARG A 384 3.504 -8.662 16.532 1.00 54.31 H new ATOM 689 N THR A 385 4.114 1.163 12.763 1.00 53.11 N ATOM 690 CA THR A 385 4.614 2.008 11.703 1.00 4.21 C ATOM 691 C THR A 385 6.017 2.523 11.987 1.00 3.23 C ATOM 692 O THR A 385 6.602 3.242 11.184 1.00 71.23 O ATOM 693 CB THR A 385 3.660 3.178 11.460 1.00 25.12 C ATOM 694 OG1 THR A 385 3.355 3.818 12.725 1.00 13.02 O ATOM 695 CG2 THR A 385 2.382 2.692 10.802 1.00 22.24 C ATOM 0 H THR A 385 3.965 1.644 13.650 1.00 53.11 H new ATOM 0 HA THR A 385 4.670 1.395 10.803 1.00 4.21 H new ATOM 0 HB THR A 385 4.138 3.896 10.794 1.00 25.12 H new ATOM 0 HG1 THR A 385 2.745 4.570 12.573 1.00 13.02 H new ATOM 0 HG21 THR A 385 1.714 3.537 10.636 1.00 22.24 H new ATOM 0 HG22 THR A 385 2.620 2.224 9.847 1.00 22.24 H new ATOM 0 HG23 THR A 385 1.893 1.965 11.450 1.00 22.24 H new ATOM 703 N SER A 386 6.556 2.157 13.119 1.00 5.43 N ATOM 704 CA SER A 386 7.882 2.552 13.460 1.00 61.22 C ATOM 705 C SER A 386 8.832 1.604 12.736 1.00 5.11 C ATOM 706 O SER A 386 8.432 0.483 12.402 1.00 10.52 O ATOM 707 CB SER A 386 8.055 2.492 14.977 1.00 34.43 C ATOM 708 OG SER A 386 9.321 2.946 15.390 1.00 60.55 O ATOM 0 H SER A 386 6.088 1.582 13.820 1.00 5.43 H new ATOM 0 HA SER A 386 8.094 3.577 13.156 1.00 61.22 H new ATOM 0 HB2 SER A 386 7.282 3.096 15.452 1.00 34.43 H new ATOM 0 HB3 SER A 386 7.911 1.466 15.316 1.00 34.43 H new ATOM 0 HG SER A 386 9.386 2.891 16.366 1.00 60.55 H new ATOM 714 N GLN A 387 10.056 2.032 12.494 1.00 24.12 N ATOM 715 CA GLN A 387 11.024 1.242 11.719 1.00 5.24 C ATOM 716 C GLN A 387 11.211 -0.158 12.284 1.00 44.31 C ATOM 717 O GLN A 387 11.062 -1.150 11.570 1.00 23.13 O ATOM 718 CB GLN A 387 12.363 1.960 11.636 1.00 52.14 C ATOM 719 CG GLN A 387 12.301 3.302 10.934 1.00 1.32 C ATOM 720 CD GLN A 387 13.634 4.017 10.928 1.00 44.41 C ATOM 721 OE1 GLN A 387 14.697 3.388 10.928 1.00 73.33 O ATOM 722 NE2 GLN A 387 13.592 5.316 10.922 1.00 31.20 N ATOM 0 H GLN A 387 10.416 2.928 12.821 1.00 24.12 H new ATOM 0 HA GLN A 387 10.614 1.136 10.715 1.00 5.24 H new ATOM 0 HB2 GLN A 387 12.748 2.107 12.645 1.00 52.14 H new ATOM 0 HB3 GLN A 387 13.075 1.321 11.113 1.00 52.14 H new ATOM 0 HG2 GLN A 387 11.967 3.156 9.907 1.00 1.32 H new ATOM 0 HG3 GLN A 387 11.558 3.931 11.425 1.00 1.32 H new ATOM 0 HE21 GLN A 387 12.693 5.797 10.922 1.00 31.20 H new ATOM 0 HE22 GLN A 387 14.458 5.854 10.917 1.00 31.20 H new ATOM 731 N GLU A 388 11.489 -0.238 13.562 1.00 20.34 N ATOM 732 CA GLU A 388 11.721 -1.515 14.219 1.00 13.42 C ATOM 733 C GLU A 388 10.412 -2.233 14.533 1.00 21.24 C ATOM 734 O GLU A 388 10.386 -3.448 14.705 1.00 73.34 O ATOM 735 CB GLU A 388 12.545 -1.307 15.473 1.00 5.44 C ATOM 736 CG GLU A 388 13.901 -0.701 15.188 1.00 31.20 C ATOM 737 CD GLU A 388 14.677 -0.400 16.430 1.00 60.51 C ATOM 738 OE1 GLU A 388 15.273 -1.324 17.017 1.00 24.21 O ATOM 739 OE2 GLU A 388 14.708 0.778 16.851 1.00 63.35 O ATOM 0 H GLU A 388 11.562 0.571 14.179 1.00 20.34 H new ATOM 0 HA GLU A 388 12.278 -2.155 13.535 1.00 13.42 H new ATOM 0 HB2 GLU A 388 11.999 -0.659 16.158 1.00 5.44 H new ATOM 0 HB3 GLU A 388 12.678 -2.264 15.978 1.00 5.44 H new ATOM 0 HG2 GLU A 388 14.475 -1.386 14.564 1.00 31.20 H new ATOM 0 HG3 GLU A 388 13.770 0.218 14.616 1.00 31.20 H new ATOM 746 N GLN A 389 9.326 -1.483 14.579 1.00 44.32 N ATOM 747 CA GLN A 389 8.022 -2.062 14.854 1.00 60.35 C ATOM 748 C GLN A 389 7.396 -2.685 13.626 1.00 32.43 C ATOM 749 O GLN A 389 6.523 -3.535 13.729 1.00 15.22 O ATOM 750 CB GLN A 389 7.085 -1.052 15.447 1.00 42.33 C ATOM 751 CG GLN A 389 7.560 -0.519 16.787 1.00 34.34 C ATOM 752 CD GLN A 389 6.494 0.249 17.492 1.00 53.32 C ATOM 753 OE1 GLN A 389 6.767 1.203 18.235 1.00 43.11 O ATOM 754 NE2 GLN A 389 5.281 -0.187 17.321 1.00 25.20 N ATOM 0 H GLN A 389 9.320 -0.474 14.430 1.00 44.32 H new ATOM 0 HA GLN A 389 8.192 -2.855 15.582 1.00 60.35 H new ATOM 0 HB2 GLN A 389 6.968 -0.221 14.752 1.00 42.33 H new ATOM 0 HB3 GLN A 389 6.101 -1.505 15.570 1.00 42.33 H new ATOM 0 HG2 GLN A 389 7.883 -1.350 17.414 1.00 34.34 H new ATOM 0 HG3 GLN A 389 8.428 0.122 16.635 1.00 34.34 H new ATOM 0 HE21 GLN A 389 5.106 -0.976 16.699 1.00 25.20 H new ATOM 0 HE22 GLN A 389 4.505 0.260 17.809 1.00 25.20 H new ATOM 763 N SER A 390 7.842 -2.271 12.467 1.00 1.51 N ATOM 764 CA SER A 390 7.284 -2.767 11.239 1.00 10.54 C ATOM 765 C SER A 390 8.232 -3.723 10.508 1.00 45.34 C ATOM 766 O SER A 390 7.808 -4.485 9.631 1.00 44.34 O ATOM 767 CB SER A 390 6.904 -1.596 10.342 1.00 14.42 C ATOM 768 OG SER A 390 8.032 -0.785 10.055 1.00 5.52 O ATOM 0 H SER A 390 8.592 -1.590 12.350 1.00 1.51 H new ATOM 0 HA SER A 390 6.393 -3.343 11.488 1.00 10.54 H new ATOM 0 HB2 SER A 390 6.475 -1.970 9.412 1.00 14.42 H new ATOM 0 HB3 SER A 390 6.135 -0.996 10.829 1.00 14.42 H new ATOM 0 HG SER A 390 8.283 -0.279 10.856 1.00 5.52 H new ATOM 774 N ALA A 391 9.499 -3.702 10.900 1.00 41.30 N ATOM 775 CA ALA A 391 10.555 -4.479 10.243 1.00 63.53 C ATOM 776 C ALA A 391 10.245 -5.965 10.148 1.00 74.31 C ATOM 777 O ALA A 391 10.652 -6.623 9.193 1.00 42.21 O ATOM 778 CB ALA A 391 11.868 -4.280 10.957 1.00 55.25 C ATOM 0 H ALA A 391 9.830 -3.144 11.687 1.00 41.30 H new ATOM 0 HA ALA A 391 10.618 -4.104 9.221 1.00 63.53 H new ATOM 0 HB1 ALA A 391 12.644 -4.862 10.460 1.00 55.25 H new ATOM 0 HB2 ALA A 391 12.137 -3.224 10.936 1.00 55.25 H new ATOM 0 HB3 ALA A 391 11.773 -4.610 11.991 1.00 55.25 H new ATOM 784 N GLY A 392 9.539 -6.486 11.119 1.00 41.22 N ATOM 785 CA GLY A 392 9.217 -7.883 11.118 1.00 73.50 C ATOM 786 C GLY A 392 8.180 -8.250 10.097 1.00 70.11 C ATOM 787 O GLY A 392 8.387 -9.190 9.319 1.00 41.13 O ATOM 0 H GLY A 392 9.179 -5.962 11.917 1.00 41.22 H new ATOM 0 HA2 GLY A 392 10.123 -8.458 10.929 1.00 73.50 H new ATOM 0 HA3 GLY A 392 8.860 -8.168 12.108 1.00 73.50 H new ATOM 791 N TRP A 393 7.068 -7.523 10.063 1.00 65.54 N ATOM 792 CA TRP A 393 6.039 -7.848 9.103 1.00 73.42 C ATOM 793 C TRP A 393 6.478 -7.498 7.688 1.00 34.22 C ATOM 794 O TRP A 393 6.087 -8.161 6.723 1.00 31.14 O ATOM 795 CB TRP A 393 4.638 -7.292 9.466 1.00 73.11 C ATOM 796 CG TRP A 393 4.499 -5.807 9.544 1.00 12.10 C ATOM 797 CD1 TRP A 393 4.709 -5.027 10.625 1.00 42.33 C ATOM 798 CD2 TRP A 393 4.073 -4.938 8.498 1.00 14.34 C ATOM 799 NE1 TRP A 393 4.444 -3.709 10.317 1.00 13.14 N ATOM 800 CE2 TRP A 393 4.061 -3.630 9.013 1.00 34.02 C ATOM 801 CE3 TRP A 393 3.709 -5.145 7.178 1.00 74.31 C ATOM 802 CZ2 TRP A 393 3.694 -2.525 8.245 1.00 13.42 C ATOM 803 CZ3 TRP A 393 3.346 -4.056 6.412 1.00 14.15 C ATOM 804 CH2 TRP A 393 3.341 -2.762 6.944 1.00 51.22 C ATOM 0 H TRP A 393 6.866 -6.730 10.672 1.00 65.54 H new ATOM 0 HA TRP A 393 5.910 -8.930 9.144 1.00 73.42 H new ATOM 0 HB2 TRP A 393 3.925 -7.661 8.728 1.00 73.11 H new ATOM 0 HB3 TRP A 393 4.346 -7.711 10.429 1.00 73.11 H new ATOM 0 HD1 TRP A 393 5.037 -5.383 11.591 1.00 42.33 H new ATOM 0 HE1 TRP A 393 4.522 -2.922 10.961 1.00 13.14 H new ATOM 0 HE3 TRP A 393 3.709 -6.139 6.756 1.00 74.31 H new ATOM 0 HZ2 TRP A 393 3.689 -1.527 8.658 1.00 13.42 H new ATOM 0 HZ3 TRP A 393 3.060 -4.206 5.381 1.00 14.15 H new ATOM 0 HH2 TRP A 393 3.053 -1.933 6.315 1.00 51.22 H new ATOM 815 N LYS A 394 7.327 -6.469 7.567 1.00 34.20 N ATOM 816 CA LYS A 394 7.895 -6.125 6.283 1.00 60.34 C ATOM 817 C LYS A 394 8.834 -7.204 5.802 1.00 22.12 C ATOM 818 O LYS A 394 8.898 -7.490 4.604 1.00 1.32 O ATOM 819 CB LYS A 394 8.628 -4.804 6.340 1.00 14.42 C ATOM 820 CG LYS A 394 7.723 -3.647 6.600 1.00 5.52 C ATOM 821 CD LYS A 394 8.470 -2.346 6.573 1.00 73.35 C ATOM 822 CE LYS A 394 7.522 -1.206 6.790 1.00 24.41 C ATOM 823 NZ LYS A 394 8.169 0.105 6.592 1.00 41.23 N ATOM 0 H LYS A 394 7.625 -5.874 8.340 1.00 34.20 H new ATOM 0 HA LYS A 394 7.068 -6.033 5.579 1.00 60.34 H new ATOM 0 HB2 LYS A 394 9.386 -4.849 7.122 1.00 14.42 H new ATOM 0 HB3 LYS A 394 9.152 -4.644 5.397 1.00 14.42 H new ATOM 0 HG2 LYS A 394 6.931 -3.628 5.851 1.00 5.52 H new ATOM 0 HG3 LYS A 394 7.242 -3.771 7.570 1.00 5.52 H new ATOM 0 HD2 LYS A 394 9.239 -2.343 7.346 1.00 73.35 H new ATOM 0 HD3 LYS A 394 8.979 -2.229 5.616 1.00 73.35 H new ATOM 0 HE2 LYS A 394 6.680 -1.301 6.104 1.00 24.41 H new ATOM 0 HE3 LYS A 394 7.117 -1.260 7.801 1.00 24.41 H new ATOM 0 HZ1 LYS A 394 7.475 0.863 6.753 1.00 41.23 H new ATOM 0 HZ2 LYS A 394 8.956 0.209 7.264 1.00 41.23 H new ATOM 0 HZ3 LYS A 394 8.533 0.169 5.620 1.00 41.23 H new ATOM 837 N ASN A 395 9.543 -7.824 6.740 1.00 40.42 N ATOM 838 CA ASN A 395 10.518 -8.859 6.402 1.00 34.44 C ATOM 839 C ASN A 395 9.807 -10.027 5.732 1.00 50.21 C ATOM 840 O ASN A 395 10.253 -10.531 4.697 1.00 22.01 O ATOM 841 CB ASN A 395 11.269 -9.323 7.672 1.00 13.23 C ATOM 842 CG ASN A 395 12.442 -10.282 7.412 1.00 41.41 C ATOM 843 OD1 ASN A 395 12.447 -11.063 6.466 1.00 63.53 O ATOM 844 ND2 ASN A 395 13.446 -10.220 8.256 1.00 34.21 N ATOM 0 H ASN A 395 9.462 -7.630 7.738 1.00 40.42 H new ATOM 0 HA ASN A 395 11.253 -8.452 5.708 1.00 34.44 H new ATOM 0 HB2 ASN A 395 11.645 -8.444 8.196 1.00 13.23 H new ATOM 0 HB3 ASN A 395 10.559 -9.812 8.339 1.00 13.23 H new ATOM 0 HD21 ASN A 395 14.254 -10.830 8.133 1.00 34.21 H new ATOM 0 HD22 ASN A 395 13.418 -9.562 9.035 1.00 34.21 H new ATOM 851 N SER A 396 8.687 -10.417 6.301 1.00 61.12 N ATOM 852 CA SER A 396 7.905 -11.516 5.794 1.00 21.43 C ATOM 853 C SER A 396 7.292 -11.208 4.408 1.00 64.14 C ATOM 854 O SER A 396 7.327 -12.061 3.514 1.00 44.45 O ATOM 855 CB SER A 396 6.843 -11.884 6.806 1.00 31.24 C ATOM 856 OG SER A 396 7.445 -12.224 8.046 1.00 23.14 O ATOM 0 H SER A 396 8.294 -9.976 7.133 1.00 61.12 H new ATOM 0 HA SER A 396 8.566 -12.370 5.646 1.00 21.43 H new ATOM 0 HB2 SER A 396 6.156 -11.049 6.944 1.00 31.24 H new ATOM 0 HB3 SER A 396 6.254 -12.724 6.437 1.00 31.24 H new ATOM 0 HG SER A 396 6.749 -12.459 8.694 1.00 23.14 H new ATOM 862 N ILE A 397 6.750 -9.992 4.228 1.00 53.41 N ATOM 863 CA ILE A 397 6.186 -9.585 2.924 1.00 43.52 C ATOM 864 C ILE A 397 7.246 -9.682 1.835 1.00 5.33 C ATOM 865 O ILE A 397 7.047 -10.360 0.818 1.00 12.21 O ATOM 866 CB ILE A 397 5.608 -8.126 2.952 1.00 73.20 C ATOM 867 CG1 ILE A 397 4.358 -8.039 3.831 1.00 41.34 C ATOM 868 CG2 ILE A 397 5.292 -7.621 1.534 1.00 4.12 C ATOM 869 CD1 ILE A 397 3.836 -6.636 4.024 1.00 35.34 C ATOM 0 H ILE A 397 6.689 -9.280 4.956 1.00 53.41 H new ATOM 0 HA ILE A 397 5.365 -10.269 2.710 1.00 43.52 H new ATOM 0 HB ILE A 397 6.378 -7.485 3.382 1.00 73.20 H new ATOM 0 HG12 ILE A 397 3.572 -8.650 3.387 1.00 41.34 H new ATOM 0 HG13 ILE A 397 4.583 -8.469 4.807 1.00 41.34 H new ATOM 0 HG21 ILE A 397 4.894 -6.608 1.589 1.00 4.12 H new ATOM 0 HG22 ILE A 397 6.204 -7.620 0.936 1.00 4.12 H new ATOM 0 HG23 ILE A 397 4.555 -8.276 1.070 1.00 4.12 H new ATOM 0 HD11 ILE A 397 2.950 -6.662 4.658 1.00 35.34 H new ATOM 0 HD12 ILE A 397 4.604 -6.024 4.498 1.00 35.34 H new ATOM 0 HD13 ILE A 397 3.577 -6.208 3.056 1.00 35.34 H new ATOM 881 N ARG A 398 8.378 -9.041 2.079 1.00 22.32 N ATOM 882 CA ARG A 398 9.459 -8.981 1.148 1.00 34.31 C ATOM 883 C ARG A 398 9.979 -10.410 0.863 1.00 33.51 C ATOM 884 O ARG A 398 10.289 -10.761 -0.282 1.00 51.31 O ATOM 885 CB ARG A 398 10.542 -8.130 1.786 1.00 1.44 C ATOM 886 CG ARG A 398 11.319 -7.252 0.841 1.00 22.03 C ATOM 887 CD ARG A 398 12.060 -8.023 -0.223 1.00 15.12 C ATOM 888 NE ARG A 398 13.065 -8.921 0.348 1.00 2.51 N ATOM 889 CZ ARG A 398 13.757 -9.822 -0.348 1.00 30.32 C ATOM 890 NH1 ARG A 398 13.563 -9.955 -1.663 1.00 3.55 N ATOM 891 NH2 ARG A 398 14.650 -10.579 0.269 1.00 1.41 N ATOM 0 H ARG A 398 8.560 -8.543 2.950 1.00 22.32 H new ATOM 0 HA ARG A 398 9.146 -8.548 0.198 1.00 34.31 H new ATOM 0 HB2 ARG A 398 10.082 -7.498 2.546 1.00 1.44 H new ATOM 0 HB3 ARG A 398 11.242 -8.789 2.300 1.00 1.44 H new ATOM 0 HG2 ARG A 398 10.634 -6.552 0.361 1.00 22.03 H new ATOM 0 HG3 ARG A 398 12.033 -6.659 1.412 1.00 22.03 H new ATOM 0 HD2 ARG A 398 11.349 -8.603 -0.812 1.00 15.12 H new ATOM 0 HD3 ARG A 398 12.544 -7.325 -0.905 1.00 15.12 H new ATOM 0 HE ARG A 398 13.248 -8.852 1.349 1.00 2.51 H new ATOM 0 HH11 ARG A 398 12.882 -9.365 -2.140 1.00 3.55 H new ATOM 0 HH12 ARG A 398 14.096 -10.647 -2.190 1.00 3.55 H new ATOM 0 HH21 ARG A 398 14.805 -10.471 1.271 1.00 1.41 H new ATOM 0 HH22 ARG A 398 15.183 -11.271 -0.258 1.00 1.41 H new ATOM 905 N HIS A 399 10.035 -11.223 1.911 1.00 54.20 N ATOM 906 CA HIS A 399 10.489 -12.603 1.818 1.00 2.31 C ATOM 907 C HIS A 399 9.552 -13.425 0.926 1.00 51.14 C ATOM 908 O HIS A 399 10.011 -14.139 0.041 1.00 3.25 O ATOM 909 CB HIS A 399 10.610 -13.218 3.229 1.00 73.20 C ATOM 910 CG HIS A 399 11.087 -14.642 3.284 1.00 2.24 C ATOM 911 ND1 HIS A 399 10.511 -15.585 4.096 1.00 63.25 N ATOM 912 CD2 HIS A 399 12.117 -15.265 2.666 1.00 74.44 C ATOM 913 CE1 HIS A 399 11.153 -16.719 3.983 1.00 25.52 C ATOM 914 NE2 HIS A 399 12.134 -16.558 3.120 1.00 14.32 N ATOM 0 H HIS A 399 9.765 -10.941 2.853 1.00 54.20 H new ATOM 0 HA HIS A 399 11.476 -12.619 1.356 1.00 2.31 H new ATOM 0 HB2 HIS A 399 11.293 -12.603 3.815 1.00 73.20 H new ATOM 0 HB3 HIS A 399 9.635 -13.162 3.714 1.00 73.20 H new ATOM 0 HD2 HIS A 399 12.797 -14.826 1.951 1.00 74.44 H new ATOM 0 HE1 HIS A 399 10.918 -17.633 4.509 1.00 25.52 H new ATOM 0 HE2 HIS A 399 12.798 -17.278 2.836 1.00 14.32 H new ATOM 923 N ASN A 400 8.249 -13.306 1.153 1.00 43.04 N ATOM 924 CA ASN A 400 7.252 -14.030 0.360 1.00 60.44 C ATOM 925 C ASN A 400 7.264 -13.616 -1.103 1.00 73.44 C ATOM 926 O ASN A 400 7.040 -14.449 -1.988 1.00 31.01 O ATOM 927 CB ASN A 400 5.868 -13.876 0.968 1.00 45.45 C ATOM 928 CG ASN A 400 5.782 -14.552 2.315 1.00 11.23 C ATOM 929 OD1 ASN A 400 6.427 -15.568 2.558 1.00 33.32 O ATOM 930 ND2 ASN A 400 5.047 -13.980 3.202 1.00 44.12 N ATOM 0 H ASN A 400 7.853 -12.713 1.882 1.00 43.04 H new ATOM 0 HA ASN A 400 7.523 -15.086 0.385 1.00 60.44 H new ATOM 0 HB2 ASN A 400 5.631 -12.817 1.074 1.00 45.45 H new ATOM 0 HB3 ASN A 400 5.124 -14.303 0.296 1.00 45.45 H new ATOM 0 HD21 ASN A 400 4.987 -14.370 4.143 1.00 44.12 H new ATOM 0 HD22 ASN A 400 4.525 -13.137 2.965 1.00 44.12 H new ATOM 937 N LEU A 401 7.544 -12.350 -1.358 1.00 65.35 N ATOM 938 CA LEU A 401 7.667 -11.831 -2.733 1.00 53.02 C ATOM 939 C LEU A 401 8.826 -12.484 -3.476 1.00 63.45 C ATOM 940 O LEU A 401 8.827 -12.569 -4.704 1.00 41.12 O ATOM 941 CB LEU A 401 7.864 -10.315 -2.717 1.00 74.05 C ATOM 942 CG LEU A 401 6.688 -9.490 -2.219 1.00 32.13 C ATOM 943 CD1 LEU A 401 7.080 -8.034 -2.125 1.00 0.33 C ATOM 944 CD2 LEU A 401 5.521 -9.638 -3.167 1.00 34.42 C ATOM 0 H LEU A 401 7.694 -11.648 -0.633 1.00 65.35 H new ATOM 0 HA LEU A 401 6.742 -12.073 -3.256 1.00 53.02 H new ATOM 0 HB2 LEU A 401 8.729 -10.089 -2.094 1.00 74.05 H new ATOM 0 HB3 LEU A 401 8.106 -9.990 -3.729 1.00 74.05 H new ATOM 0 HG LEU A 401 6.400 -9.848 -1.231 1.00 32.13 H new ATOM 0 HD11 LEU A 401 6.231 -7.451 -1.767 1.00 0.33 H new ATOM 0 HD12 LEU A 401 7.913 -7.926 -1.430 1.00 0.33 H new ATOM 0 HD13 LEU A 401 7.379 -7.673 -3.109 1.00 0.33 H new ATOM 0 HD21 LEU A 401 4.681 -9.045 -2.805 1.00 34.42 H new ATOM 0 HD22 LEU A 401 5.811 -9.290 -4.158 1.00 34.42 H new ATOM 0 HD23 LEU A 401 5.228 -10.686 -3.222 1.00 34.42 H new ATOM 1257 N TRP A 421 7.868 -3.964 -8.593 1.00 33.54 N ATOM 1258 CA TRP A 421 7.529 -5.320 -8.929 1.00 14.23 C ATOM 1259 C TRP A 421 6.052 -5.372 -9.323 1.00 30.01 C ATOM 1260 O TRP A 421 5.280 -4.462 -8.976 1.00 21.04 O ATOM 1261 CB TRP A 421 7.833 -6.314 -7.762 1.00 13.34 C ATOM 1262 CG TRP A 421 6.948 -6.212 -6.576 1.00 2.10 C ATOM 1263 CD1 TRP A 421 7.160 -5.503 -5.443 1.00 62.43 C ATOM 1264 CD2 TRP A 421 5.707 -6.883 -6.409 1.00 53.10 C ATOM 1265 NE1 TRP A 421 6.120 -5.690 -4.589 1.00 74.35 N ATOM 1266 CE2 TRP A 421 5.211 -6.532 -5.171 1.00 22.45 C ATOM 1267 CE3 TRP A 421 4.969 -7.744 -7.208 1.00 12.54 C ATOM 1268 CZ2 TRP A 421 4.000 -7.013 -4.702 1.00 73.11 C ATOM 1269 CZ3 TRP A 421 3.777 -8.215 -6.748 1.00 44.41 C ATOM 1270 CH2 TRP A 421 3.302 -7.853 -5.508 1.00 2.21 C ATOM 0 HA TRP A 421 8.150 -5.637 -9.767 1.00 14.23 H new ATOM 0 HB2 TRP A 421 7.771 -7.330 -8.151 1.00 13.34 H new ATOM 0 HB3 TRP A 421 8.862 -6.159 -7.438 1.00 13.34 H new ATOM 0 HD1 TRP A 421 8.023 -4.884 -5.248 1.00 62.43 H new ATOM 0 HE1 TRP A 421 6.031 -5.271 -3.663 1.00 74.35 H new ATOM 0 HE3 TRP A 421 5.335 -8.037 -8.181 1.00 12.54 H new ATOM 0 HZ2 TRP A 421 3.624 -6.730 -3.730 1.00 73.11 H new ATOM 0 HZ3 TRP A 421 3.195 -8.883 -7.366 1.00 44.41 H new ATOM 0 HH2 TRP A 421 2.354 -8.245 -5.169 1.00 2.21 H new ATOM 1281 N VAL A 422 5.672 -6.403 -10.044 1.00 5.50 N ATOM 1282 CA VAL A 422 4.294 -6.611 -10.494 1.00 32.30 C ATOM 1283 C VAL A 422 3.932 -8.079 -10.411 1.00 13.04 C ATOM 1284 O VAL A 422 4.816 -8.951 -10.319 1.00 72.34 O ATOM 1285 CB VAL A 422 4.019 -6.098 -11.948 1.00 4.21 C ATOM 1286 CG1 VAL A 422 4.123 -4.586 -12.033 1.00 72.42 C ATOM 1287 CG2 VAL A 422 4.974 -6.742 -12.945 1.00 14.52 C ATOM 0 H VAL A 422 6.313 -7.137 -10.344 1.00 5.50 H new ATOM 0 HA VAL A 422 3.671 -6.019 -9.824 1.00 32.30 H new ATOM 0 HB VAL A 422 2.999 -6.386 -12.203 1.00 4.21 H new ATOM 0 HG11 VAL A 422 3.926 -4.265 -13.056 1.00 72.42 H new ATOM 0 HG12 VAL A 422 3.392 -4.133 -11.363 1.00 72.42 H new ATOM 0 HG13 VAL A 422 5.125 -4.273 -11.741 1.00 72.42 H new ATOM 0 HG21 VAL A 422 4.761 -6.368 -13.946 1.00 14.52 H new ATOM 0 HG22 VAL A 422 6.001 -6.495 -12.676 1.00 14.52 H new ATOM 0 HG23 VAL A 422 4.844 -7.824 -12.926 1.00 14.52 H new ATOM 1297 N ILE A 423 2.655 -8.360 -10.429 1.00 44.51 N ATOM 1298 CA ILE A 423 2.190 -9.721 -10.424 1.00 63.44 C ATOM 1299 C ILE A 423 2.319 -10.157 -11.861 1.00 43.11 C ATOM 1300 O ILE A 423 1.808 -9.474 -12.750 1.00 12.23 O ATOM 1301 CB ILE A 423 0.698 -9.793 -9.996 1.00 52.23 C ATOM 1302 CG1 ILE A 423 0.506 -9.116 -8.632 1.00 22.13 C ATOM 1303 CG2 ILE A 423 0.221 -11.237 -9.953 1.00 34.40 C ATOM 1304 CD1 ILE A 423 -0.929 -9.077 -8.151 1.00 52.20 C ATOM 0 H ILE A 423 1.915 -7.659 -10.447 1.00 44.51 H new ATOM 0 HA ILE A 423 2.753 -10.344 -9.729 1.00 63.44 H new ATOM 0 HB ILE A 423 0.098 -9.262 -10.734 1.00 52.23 H new ATOM 0 HG12 ILE A 423 1.111 -9.640 -7.892 1.00 22.13 H new ATOM 0 HG13 ILE A 423 0.885 -8.096 -8.690 1.00 22.13 H new ATOM 0 HG21 ILE A 423 -0.826 -11.265 -9.651 1.00 34.40 H new ATOM 0 HG22 ILE A 423 0.326 -11.684 -10.941 1.00 34.40 H new ATOM 0 HG23 ILE A 423 0.821 -11.797 -9.236 1.00 34.40 H new ATOM 0 HD11 ILE A 423 -0.974 -8.582 -7.181 1.00 52.20 H new ATOM 0 HD12 ILE A 423 -1.538 -8.527 -8.868 1.00 52.20 H new ATOM 0 HD13 ILE A 423 -1.309 -10.094 -8.057 1.00 52.20 H new