USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=14 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 -81:sc= 1.03 USER MOD Set 1.2: A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 348 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 350 SER OG : rot 180:sc=0.000802 USER MOD Single : A 342 ASN : amide:sc= 0 X(o=0,f=0.09) USER MOD Single : A 349 TYR OH : rot 30:sc= -0.0167 USER MOD Single : A 355 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0152) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 SER OG : rot -44:sc= 1.26 USER MOD Single : A 360 THR OG1 : rot -48:sc= 0.0936 USER MOD Single : A 365 MET CE :methyl -116:sc= -0.0942 (180deg=-1.16) USER MOD Single : A 368 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.069) USER MOD Single : A 371 TYR OH : rot -130:sc= -0.347 USER MOD Single : A 372 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.58) USER MOD Single : A 376 SER OG : rot 79:sc= 1.24 USER MOD Single : A 377 ASN : amide:sc= 0.878 K(o=0.88,f=0) USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 ASN : amide:sc= -1.95! K(o=-2!,f=-0.72) USER MOD Single : A 385 THR OG1 : rot 180:sc= 0 USER MOD Single : A 386 SER OG : rot 180:sc= -0.0169 USER MOD Single : A 387 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 389 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.076) USER MOD Single : A 395 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 396 SER OG : rot 74:sc= 0.0238 USER MOD Single : A 399 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 400 ASN : amide:sc= 0.349 K(o=0.35,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -1.052 -15.277 10.989 1.00 32.20 N ATOM 2 CA ASN A 342 -0.752 -14.061 10.242 1.00 2.10 C ATOM 3 C ASN A 342 -0.988 -12.872 11.129 1.00 5.52 C ATOM 4 O ASN A 342 -1.957 -12.850 11.875 1.00 52.33 O ATOM 5 CB ASN A 342 -1.600 -13.945 8.968 1.00 71.31 C ATOM 6 CG ASN A 342 -1.400 -15.098 8.002 1.00 35.10 C ATOM 7 OD1 ASN A 342 -0.518 -15.057 7.153 1.00 63.03 O ATOM 8 ND2 ASN A 342 -2.231 -16.116 8.110 1.00 13.21 N ATOM 0 HA ASN A 342 0.292 -14.099 9.931 1.00 2.10 H new ATOM 0 HB2 ASN A 342 -2.653 -13.892 9.245 1.00 71.31 H new ATOM 0 HB3 ASN A 342 -1.356 -13.011 8.462 1.00 71.31 H new ATOM 0 HD21 ASN A 342 -2.153 -16.908 7.472 1.00 13.21 H new ATOM 0 HD22 ASN A 342 -2.952 -16.111 8.831 1.00 13.21 H new ATOM 17 N PRO A 343 -0.116 -11.849 11.051 1.00 30.22 N ATOM 18 CA PRO A 343 -0.176 -10.676 11.944 1.00 42.31 C ATOM 19 C PRO A 343 -1.502 -9.907 11.851 1.00 22.24 C ATOM 20 O PRO A 343 -2.054 -9.480 12.859 1.00 3.43 O ATOM 21 CB PRO A 343 1.002 -9.800 11.470 1.00 70.55 C ATOM 22 CG PRO A 343 1.308 -10.277 10.093 1.00 54.11 C ATOM 23 CD PRO A 343 1.001 -11.745 10.088 1.00 12.14 C ATOM 0 HA PRO A 343 -0.112 -10.971 12.992 1.00 42.31 H new ATOM 0 HB2 PRO A 343 0.734 -8.744 11.471 1.00 70.55 H new ATOM 0 HB3 PRO A 343 1.865 -9.910 12.127 1.00 70.55 H new ATOM 0 HG2 PRO A 343 0.705 -9.749 9.354 1.00 54.11 H new ATOM 0 HG3 PRO A 343 2.353 -10.096 9.840 1.00 54.11 H new ATOM 0 HD2 PRO A 343 0.714 -12.095 9.096 1.00 12.14 H new ATOM 0 HD3 PRO A 343 1.860 -12.339 10.399 1.00 12.14 H new ATOM 31 N TRP A 344 -2.003 -9.750 10.648 1.00 43.21 N ATOM 32 CA TRP A 344 -3.238 -9.025 10.405 1.00 30.34 C ATOM 33 C TRP A 344 -4.477 -9.788 10.872 1.00 23.45 C ATOM 34 O TRP A 344 -5.401 -9.199 11.427 1.00 43.23 O ATOM 35 CB TRP A 344 -3.352 -8.661 8.913 1.00 13.52 C ATOM 36 CG TRP A 344 -3.070 -9.811 7.975 1.00 12.43 C ATOM 37 CD1 TRP A 344 -3.900 -10.844 7.647 1.00 42.24 C ATOM 38 CD2 TRP A 344 -1.878 -10.016 7.214 1.00 52.11 C ATOM 39 NE1 TRP A 344 -3.270 -11.688 6.782 1.00 52.01 N ATOM 40 CE2 TRP A 344 -2.045 -11.197 6.492 1.00 3.13 C ATOM 41 CE3 TRP A 344 -0.686 -9.324 7.080 1.00 54.24 C ATOM 42 CZ2 TRP A 344 -1.076 -11.691 5.660 1.00 41.00 C ATOM 43 CZ3 TRP A 344 0.273 -9.820 6.242 1.00 50.23 C ATOM 44 CH2 TRP A 344 0.068 -10.991 5.547 1.00 12.33 C ATOM 0 H TRP A 344 -1.567 -10.121 9.804 1.00 43.21 H new ATOM 0 HA TRP A 344 -3.197 -8.112 10.999 1.00 30.34 H new ATOM 0 HB2 TRP A 344 -4.356 -8.284 8.717 1.00 13.52 H new ATOM 0 HB3 TRP A 344 -2.659 -7.849 8.694 1.00 13.52 H new ATOM 0 HD1 TRP A 344 -4.906 -10.973 8.018 1.00 42.24 H new ATOM 0 HE1 TRP A 344 -3.662 -12.554 6.412 1.00 52.01 H new ATOM 0 HE3 TRP A 344 -0.517 -8.409 7.628 1.00 54.24 H new ATOM 0 HZ2 TRP A 344 -1.225 -12.611 5.113 1.00 41.00 H new ATOM 0 HZ3 TRP A 344 1.204 -9.286 6.123 1.00 50.23 H new ATOM 0 HH2 TRP A 344 0.846 -11.358 4.894 1.00 12.33 H new ATOM 55 N GLY A 345 -4.485 -11.069 10.645 1.00 51.34 N ATOM 56 CA GLY A 345 -5.628 -11.870 10.972 1.00 32.12 C ATOM 57 C GLY A 345 -5.599 -13.154 10.198 1.00 41.21 C ATOM 58 O GLY A 345 -4.554 -13.794 10.107 1.00 24.43 O ATOM 0 H GLY A 345 -3.707 -11.584 10.232 1.00 51.34 H new ATOM 0 HA2 GLY A 345 -5.639 -12.082 12.041 1.00 32.12 H new ATOM 0 HA3 GLY A 345 -6.542 -11.321 10.746 1.00 32.12 H new ATOM 62 N ALA A 346 -6.705 -13.514 9.594 1.00 30.44 N ATOM 63 CA ALA A 346 -6.766 -14.725 8.827 1.00 71.34 C ATOM 64 C ALA A 346 -7.016 -14.452 7.366 1.00 44.34 C ATOM 65 O ALA A 346 -8.133 -14.527 6.875 1.00 31.33 O ATOM 66 CB ALA A 346 -7.746 -15.717 9.379 1.00 3.11 C ATOM 0 H ALA A 346 -7.575 -12.982 9.621 1.00 30.44 H new ATOM 0 HA ALA A 346 -5.782 -15.186 8.912 1.00 71.34 H new ATOM 0 HB1 ALA A 346 -7.747 -16.612 8.757 1.00 3.11 H new ATOM 0 HB2 ALA A 346 -7.460 -15.983 10.397 1.00 3.11 H new ATOM 0 HB3 ALA A 346 -8.744 -15.278 9.385 1.00 3.11 H new ATOM 72 N GLU A 347 -5.978 -14.053 6.744 1.00 41.01 N ATOM 73 CA GLU A 347 -5.856 -13.803 5.321 1.00 41.10 C ATOM 74 C GLU A 347 -4.471 -14.187 4.973 1.00 53.41 C ATOM 75 O GLU A 347 -3.649 -14.346 5.871 1.00 54.31 O ATOM 76 CB GLU A 347 -6.044 -12.318 4.998 1.00 51.34 C ATOM 77 CG GLU A 347 -7.447 -11.812 5.147 1.00 13.31 C ATOM 78 CD GLU A 347 -8.373 -12.364 4.081 1.00 44.52 C ATOM 79 OE1 GLU A 347 -8.449 -11.767 3.002 1.00 25.34 O ATOM 80 OE2 GLU A 347 -9.043 -13.397 4.306 1.00 34.30 O ATOM 0 H GLU A 347 -5.104 -13.870 7.238 1.00 41.01 H new ATOM 0 HA GLU A 347 -6.612 -14.360 4.767 1.00 41.10 H new ATOM 0 HB2 GLU A 347 -5.392 -11.734 5.648 1.00 51.34 H new ATOM 0 HB3 GLU A 347 -5.716 -12.140 3.974 1.00 51.34 H new ATOM 0 HG2 GLU A 347 -7.827 -12.084 6.132 1.00 13.31 H new ATOM 0 HG3 GLU A 347 -7.446 -10.723 5.096 1.00 13.31 H new ATOM 87 N SER A 348 -4.178 -14.304 3.740 1.00 54.20 N ATOM 88 CA SER A 348 -2.862 -14.654 3.360 1.00 25.01 C ATOM 89 C SER A 348 -2.162 -13.395 2.898 1.00 32.23 C ATOM 90 O SER A 348 -2.822 -12.377 2.611 1.00 2.14 O ATOM 91 CB SER A 348 -2.875 -15.736 2.259 1.00 64.03 C ATOM 92 OG SER A 348 -1.559 -16.167 1.928 1.00 10.21 O ATOM 0 H SER A 348 -4.831 -14.163 2.969 1.00 54.20 H new ATOM 0 HA SER A 348 -2.324 -15.082 4.206 1.00 25.01 H new ATOM 0 HB2 SER A 348 -3.464 -16.590 2.595 1.00 64.03 H new ATOM 0 HB3 SER A 348 -3.364 -15.342 1.368 1.00 64.03 H new ATOM 0 HG SER A 348 -1.605 -16.853 1.230 1.00 10.21 H new ATOM 98 N TYR A 349 -0.851 -13.447 2.856 1.00 42.54 N ATOM 99 CA TYR A 349 -0.040 -12.343 2.408 1.00 63.44 C ATOM 100 C TYR A 349 -0.453 -11.950 1.036 1.00 55.24 C ATOM 101 O TYR A 349 -0.816 -10.824 0.808 1.00 40.31 O ATOM 102 CB TYR A 349 1.450 -12.715 2.418 1.00 22.32 C ATOM 103 CG TYR A 349 2.025 -12.936 3.790 1.00 21.40 C ATOM 104 CD1 TYR A 349 1.731 -14.083 4.523 1.00 44.24 C ATOM 105 CD2 TYR A 349 2.866 -11.993 4.362 1.00 44.12 C ATOM 106 CE1 TYR A 349 2.256 -14.276 5.781 1.00 55.12 C ATOM 107 CE2 TYR A 349 3.393 -12.181 5.620 1.00 35.04 C ATOM 108 CZ TYR A 349 3.083 -13.325 6.327 1.00 23.44 C ATOM 109 OH TYR A 349 3.610 -13.519 7.591 1.00 41.13 O ATOM 0 H TYR A 349 -0.313 -14.267 3.136 1.00 42.54 H new ATOM 0 HA TYR A 349 -0.186 -11.506 3.090 1.00 63.44 H new ATOM 0 HB2 TYR A 349 1.590 -13.621 1.828 1.00 22.32 H new ATOM 0 HB3 TYR A 349 2.013 -11.923 1.924 1.00 22.32 H new ATOM 0 HD1 TYR A 349 1.081 -14.833 4.098 1.00 44.24 H new ATOM 0 HD2 TYR A 349 3.111 -11.097 3.812 1.00 44.12 H new ATOM 0 HE1 TYR A 349 2.019 -15.171 6.336 1.00 55.12 H new ATOM 0 HE2 TYR A 349 4.046 -11.437 6.051 1.00 35.04 H new ATOM 0 HH TYR A 349 3.719 -14.479 7.756 1.00 41.13 H new ATOM 119 N SER A 350 -0.450 -12.908 0.142 1.00 65.14 N ATOM 120 CA SER A 350 -0.799 -12.676 -1.232 1.00 64.44 C ATOM 121 C SER A 350 -2.199 -12.063 -1.380 1.00 0.22 C ATOM 122 O SER A 350 -2.413 -11.219 -2.251 1.00 32.12 O ATOM 123 CB SER A 350 -0.646 -13.962 -2.007 1.00 15.50 C ATOM 124 OG SER A 350 -1.316 -15.019 -1.345 1.00 75.54 O ATOM 0 H SER A 350 -0.203 -13.875 0.352 1.00 65.14 H new ATOM 0 HA SER A 350 -0.116 -11.936 -1.649 1.00 64.44 H new ATOM 0 HB2 SER A 350 -1.051 -13.839 -3.012 1.00 15.50 H new ATOM 0 HB3 SER A 350 0.411 -14.205 -2.116 1.00 15.50 H new ATOM 0 HG SER A 350 -1.210 -15.846 -1.859 1.00 75.54 H new ATOM 130 N ASP A 351 -3.128 -12.472 -0.503 1.00 40.51 N ATOM 131 CA ASP A 351 -4.487 -11.904 -0.473 1.00 23.00 C ATOM 132 C ASP A 351 -4.438 -10.423 -0.262 1.00 62.15 C ATOM 133 O ASP A 351 -5.006 -9.652 -1.043 1.00 44.32 O ATOM 134 CB ASP A 351 -5.330 -12.512 0.665 1.00 61.04 C ATOM 135 CG ASP A 351 -5.863 -13.876 0.389 1.00 13.42 C ATOM 136 OD1 ASP A 351 -5.092 -14.827 0.318 1.00 3.42 O ATOM 137 OD2 ASP A 351 -7.090 -14.021 0.300 1.00 62.24 O ATOM 0 H ASP A 351 -2.964 -13.196 0.197 1.00 40.51 H new ATOM 0 HA ASP A 351 -4.944 -12.138 -1.434 1.00 23.00 H new ATOM 0 HB2 ASP A 351 -4.721 -12.551 1.568 1.00 61.04 H new ATOM 0 HB3 ASP A 351 -6.167 -11.846 0.874 1.00 61.04 H new ATOM 142 N LEU A 352 -3.757 -10.015 0.776 1.00 60.31 N ATOM 143 CA LEU A 352 -3.685 -8.627 1.110 1.00 53.52 C ATOM 144 C LEU A 352 -2.719 -7.845 0.226 1.00 34.24 C ATOM 145 O LEU A 352 -2.986 -6.690 -0.105 1.00 45.20 O ATOM 146 CB LEU A 352 -3.360 -8.441 2.560 1.00 62.33 C ATOM 147 CG LEU A 352 -4.378 -8.948 3.577 1.00 34.30 C ATOM 148 CD1 LEU A 352 -3.925 -8.563 4.940 1.00 74.21 C ATOM 149 CD2 LEU A 352 -5.765 -8.398 3.296 1.00 1.22 C ATOM 0 H LEU A 352 -3.243 -10.632 1.405 1.00 60.31 H new ATOM 0 HA LEU A 352 -4.675 -8.214 0.918 1.00 53.52 H new ATOM 0 HB2 LEU A 352 -2.410 -8.936 2.759 1.00 62.33 H new ATOM 0 HB3 LEU A 352 -3.208 -7.376 2.737 1.00 62.33 H new ATOM 0 HG LEU A 352 -4.444 -10.033 3.503 1.00 34.30 H new ATOM 0 HD11 LEU A 352 -4.645 -8.920 5.677 1.00 74.21 H new ATOM 0 HD12 LEU A 352 -2.950 -9.009 5.139 1.00 74.21 H new ATOM 0 HD13 LEU A 352 -3.847 -7.478 5.005 1.00 74.21 H new ATOM 0 HD21 LEU A 352 -6.465 -8.779 4.039 1.00 1.22 H new ATOM 0 HD22 LEU A 352 -5.741 -7.309 3.345 1.00 1.22 H new ATOM 0 HD23 LEU A 352 -6.086 -8.710 2.302 1.00 1.22 H new ATOM 161 N ILE A 353 -1.612 -8.473 -0.165 1.00 1.35 N ATOM 162 CA ILE A 353 -0.624 -7.820 -1.025 1.00 61.14 C ATOM 163 C ILE A 353 -1.261 -7.477 -2.346 1.00 3.12 C ATOM 164 O ILE A 353 -1.043 -6.394 -2.889 1.00 53.11 O ATOM 165 CB ILE A 353 0.628 -8.711 -1.260 1.00 73.21 C ATOM 166 CG1 ILE A 353 1.362 -8.963 0.065 1.00 34.14 C ATOM 167 CG2 ILE A 353 1.563 -8.060 -2.267 1.00 22.23 C ATOM 168 CD1 ILE A 353 2.497 -9.951 -0.039 1.00 14.25 C ATOM 0 H ILE A 353 -1.376 -9.430 0.098 1.00 1.35 H new ATOM 0 HA ILE A 353 -0.289 -6.914 -0.520 1.00 61.14 H new ATOM 0 HB ILE A 353 0.299 -9.669 -1.663 1.00 73.21 H new ATOM 0 HG12 ILE A 353 1.752 -8.016 0.438 1.00 34.14 H new ATOM 0 HG13 ILE A 353 0.645 -9.325 0.802 1.00 34.14 H new ATOM 0 HG21 ILE A 353 2.434 -8.697 -2.420 1.00 22.23 H new ATOM 0 HG22 ILE A 353 1.041 -7.926 -3.214 1.00 22.23 H new ATOM 0 HG23 ILE A 353 1.885 -7.089 -1.890 1.00 22.23 H new ATOM 0 HD11 ILE A 353 2.963 -10.073 0.938 1.00 14.25 H new ATOM 0 HD12 ILE A 353 2.113 -10.912 -0.381 1.00 14.25 H new ATOM 0 HD13 ILE A 353 3.236 -9.582 -0.750 1.00 14.25 H new ATOM 180 N ALA A 354 -2.068 -8.400 -2.855 1.00 74.44 N ATOM 181 CA ALA A 354 -2.799 -8.155 -4.073 1.00 64.11 C ATOM 182 C ALA A 354 -3.705 -6.965 -3.899 1.00 3.33 C ATOM 183 O ALA A 354 -3.693 -6.097 -4.714 1.00 34.21 O ATOM 184 CB ALA A 354 -3.590 -9.365 -4.519 1.00 54.40 C ATOM 0 H ALA A 354 -2.226 -9.318 -2.439 1.00 74.44 H new ATOM 0 HA ALA A 354 -2.072 -7.944 -4.857 1.00 64.11 H new ATOM 0 HB1 ALA A 354 -4.124 -9.131 -5.440 1.00 54.40 H new ATOM 0 HB2 ALA A 354 -2.911 -10.199 -4.694 1.00 54.40 H new ATOM 0 HB3 ALA A 354 -4.306 -9.637 -3.744 1.00 54.40 H new ATOM 190 N LYS A 355 -4.466 -6.920 -2.792 1.00 44.32 N ATOM 191 CA LYS A 355 -5.370 -5.783 -2.524 1.00 41.41 C ATOM 192 C LYS A 355 -4.625 -4.462 -2.524 1.00 32.11 C ATOM 193 O LYS A 355 -5.137 -3.450 -3.018 1.00 45.53 O ATOM 194 CB LYS A 355 -6.116 -5.934 -1.204 1.00 42.43 C ATOM 195 CG LYS A 355 -7.102 -7.025 -1.157 1.00 22.33 C ATOM 196 CD LYS A 355 -7.774 -7.019 0.177 1.00 1.44 C ATOM 197 CE LYS A 355 -9.074 -7.742 0.128 1.00 73.32 C ATOM 198 NZ LYS A 355 -8.954 -9.169 -0.272 1.00 23.34 N ATOM 0 H LYS A 355 -4.476 -7.646 -2.076 1.00 44.32 H new ATOM 0 HA LYS A 355 -6.097 -5.786 -3.336 1.00 41.41 H new ATOM 0 HB2 LYS A 355 -5.386 -6.092 -0.410 1.00 42.43 H new ATOM 0 HB3 LYS A 355 -6.627 -4.996 -0.985 1.00 42.43 H new ATOM 0 HG2 LYS A 355 -7.839 -6.900 -1.950 1.00 22.33 H new ATOM 0 HG3 LYS A 355 -6.611 -7.983 -1.326 1.00 22.33 H new ATOM 0 HD2 LYS A 355 -7.123 -7.485 0.917 1.00 1.44 H new ATOM 0 HD3 LYS A 355 -7.939 -5.991 0.500 1.00 1.44 H new ATOM 0 HE2 LYS A 355 -9.546 -7.688 1.109 1.00 73.32 H new ATOM 0 HE3 LYS A 355 -9.736 -7.233 -0.572 1.00 73.32 H new ATOM 0 HZ1 LYS A 355 -9.884 -9.628 -0.202 1.00 23.34 H new ATOM 0 HZ2 LYS A 355 -8.612 -9.227 -1.252 1.00 23.34 H new ATOM 0 HZ3 LYS A 355 -8.282 -9.651 0.359 1.00 23.34 H new ATOM 212 N ALA A 356 -3.432 -4.470 -1.971 1.00 33.13 N ATOM 213 CA ALA A 356 -2.603 -3.291 -1.951 1.00 31.02 C ATOM 214 C ALA A 356 -2.226 -2.921 -3.359 1.00 71.53 C ATOM 215 O ALA A 356 -2.477 -1.805 -3.806 1.00 65.25 O ATOM 216 CB ALA A 356 -1.350 -3.532 -1.115 1.00 64.13 C ATOM 0 H ALA A 356 -3.014 -5.288 -1.527 1.00 33.13 H new ATOM 0 HA ALA A 356 -3.161 -2.471 -1.499 1.00 31.02 H new ATOM 0 HB1 ALA A 356 -0.736 -2.631 -1.111 1.00 64.13 H new ATOM 0 HB2 ALA A 356 -1.637 -3.780 -0.093 1.00 64.13 H new ATOM 0 HB3 ALA A 356 -0.781 -4.357 -1.542 1.00 64.13 H new ATOM 222 N LEU A 357 -1.695 -3.888 -4.060 1.00 42.23 N ATOM 223 CA LEU A 357 -1.208 -3.737 -5.418 1.00 60.23 C ATOM 224 C LEU A 357 -2.363 -3.246 -6.306 1.00 62.54 C ATOM 225 O LEU A 357 -2.203 -2.345 -7.123 1.00 55.31 O ATOM 226 CB LEU A 357 -0.755 -5.122 -5.878 1.00 34.10 C ATOM 227 CG LEU A 357 0.485 -5.229 -6.778 1.00 3.12 C ATOM 228 CD1 LEU A 357 0.253 -4.599 -8.143 1.00 44.42 C ATOM 229 CD2 LEU A 357 1.698 -4.599 -6.102 1.00 43.21 C ATOM 0 H LEU A 357 -1.583 -4.834 -3.696 1.00 42.23 H new ATOM 0 HA LEU A 357 -0.389 -3.021 -5.478 1.00 60.23 H new ATOM 0 HB2 LEU A 357 -0.570 -5.723 -4.987 1.00 34.10 H new ATOM 0 HB3 LEU A 357 -1.589 -5.584 -6.407 1.00 34.10 H new ATOM 0 HG LEU A 357 0.679 -6.290 -6.934 1.00 3.12 H new ATOM 0 HD11 LEU A 357 1.155 -4.697 -8.747 1.00 44.42 H new ATOM 0 HD12 LEU A 357 -0.574 -5.105 -8.641 1.00 44.42 H new ATOM 0 HD13 LEU A 357 0.012 -3.543 -8.020 1.00 44.42 H new ATOM 0 HD21 LEU A 357 2.565 -4.686 -6.757 1.00 43.21 H new ATOM 0 HD22 LEU A 357 1.498 -3.546 -5.903 1.00 43.21 H new ATOM 0 HD23 LEU A 357 1.899 -5.114 -5.163 1.00 43.21 H new ATOM 241 N LYS A 358 -3.532 -3.845 -6.086 1.00 23.11 N ATOM 242 CA LYS A 358 -4.757 -3.535 -6.797 1.00 50.32 C ATOM 243 C LYS A 358 -5.171 -2.073 -6.732 1.00 1.13 C ATOM 244 O LYS A 358 -5.881 -1.604 -7.625 1.00 42.33 O ATOM 245 CB LYS A 358 -5.910 -4.438 -6.346 1.00 31.44 C ATOM 246 CG LYS A 358 -5.750 -5.889 -6.771 1.00 63.41 C ATOM 247 CD LYS A 358 -6.884 -6.780 -6.276 1.00 15.31 C ATOM 248 CE LYS A 358 -8.243 -6.373 -6.836 1.00 30.52 C ATOM 249 NZ LYS A 358 -9.313 -7.286 -6.381 1.00 50.54 N ATOM 0 H LYS A 358 -3.649 -4.579 -5.387 1.00 23.11 H new ATOM 0 HA LYS A 358 -4.530 -3.735 -7.844 1.00 50.32 H new ATOM 0 HB2 LYS A 358 -5.992 -4.393 -5.260 1.00 31.44 H new ATOM 0 HB3 LYS A 358 -6.844 -4.050 -6.752 1.00 31.44 H new ATOM 0 HG2 LYS A 358 -5.702 -5.941 -7.859 1.00 63.41 H new ATOM 0 HG3 LYS A 358 -4.802 -6.271 -6.392 1.00 63.41 H new ATOM 0 HD2 LYS A 358 -6.676 -7.813 -6.554 1.00 15.31 H new ATOM 0 HD3 LYS A 358 -6.919 -6.744 -5.187 1.00 15.31 H new ATOM 0 HE2 LYS A 358 -8.476 -5.355 -6.525 1.00 30.52 H new ATOM 0 HE3 LYS A 358 -8.203 -6.372 -7.925 1.00 30.52 H new ATOM 0 HZ1 LYS A 358 -10.223 -6.980 -6.780 1.00 50.54 H new ATOM 0 HZ2 LYS A 358 -9.103 -8.253 -6.700 1.00 50.54 H new ATOM 0 HZ3 LYS A 358 -9.367 -7.268 -5.343 1.00 50.54 H new ATOM 263 N SER A 359 -4.718 -1.335 -5.720 1.00 20.32 N ATOM 264 CA SER A 359 -5.102 0.066 -5.603 1.00 35.31 C ATOM 265 C SER A 359 -4.445 0.921 -6.724 1.00 1.42 C ATOM 266 O SER A 359 -4.859 2.058 -6.984 1.00 72.41 O ATOM 267 CB SER A 359 -4.754 0.615 -4.202 1.00 34.20 C ATOM 268 OG SER A 359 -3.349 0.645 -3.979 1.00 44.13 O ATOM 0 H SER A 359 -4.098 -1.676 -4.985 1.00 20.32 H new ATOM 0 HA SER A 359 -6.183 0.133 -5.729 1.00 35.31 H new ATOM 0 HB2 SER A 359 -5.160 1.621 -4.095 1.00 34.20 H new ATOM 0 HB3 SER A 359 -5.229 -0.004 -3.441 1.00 34.20 H new ATOM 0 HG SER A 359 -2.949 -0.191 -4.298 1.00 44.13 H new ATOM 274 N THR A 360 -3.443 0.359 -7.393 1.00 12.34 N ATOM 275 CA THR A 360 -2.759 1.051 -8.463 1.00 74.35 C ATOM 276 C THR A 360 -2.234 -0.013 -9.475 1.00 75.43 C ATOM 277 O THR A 360 -1.227 0.180 -10.169 1.00 1.14 O ATOM 278 CB THR A 360 -1.589 1.903 -7.863 1.00 34.22 C ATOM 279 OG1 THR A 360 -1.065 2.818 -8.850 1.00 63.01 O ATOM 280 CG2 THR A 360 -0.461 1.006 -7.360 1.00 31.20 C ATOM 0 H THR A 360 -3.090 -0.580 -7.206 1.00 12.34 H new ATOM 0 HA THR A 360 -3.432 1.731 -8.985 1.00 74.35 H new ATOM 0 HB THR A 360 -1.993 2.470 -7.024 1.00 34.22 H new ATOM 0 HG1 THR A 360 -0.900 2.336 -9.687 1.00 63.01 H new ATOM 0 HG21 THR A 360 0.338 1.623 -6.949 1.00 31.20 H new ATOM 0 HG22 THR A 360 -0.843 0.342 -6.585 1.00 31.20 H new ATOM 0 HG23 THR A 360 -0.072 0.412 -8.187 1.00 31.20 H new ATOM 288 N PHE A 361 -3.024 -1.090 -9.615 1.00 73.41 N ATOM 289 CA PHE A 361 -2.686 -2.294 -10.419 1.00 2.02 C ATOM 290 C PHE A 361 -2.461 -1.922 -11.884 1.00 23.34 C ATOM 291 O PHE A 361 -1.832 -2.657 -12.644 1.00 53.44 O ATOM 292 CB PHE A 361 -3.858 -3.267 -10.354 1.00 63.42 C ATOM 293 CG PHE A 361 -3.487 -4.718 -10.541 1.00 53.33 C ATOM 294 CD1 PHE A 361 -3.462 -5.304 -11.795 1.00 30.22 C ATOM 295 CD2 PHE A 361 -3.171 -5.494 -9.438 1.00 0.44 C ATOM 296 CE1 PHE A 361 -3.127 -6.641 -11.941 1.00 73.02 C ATOM 297 CE2 PHE A 361 -2.839 -6.818 -9.570 1.00 24.32 C ATOM 298 CZ PHE A 361 -2.815 -7.401 -10.823 1.00 62.22 C ATOM 0 H PHE A 361 -3.937 -1.157 -9.166 1.00 73.41 H new ATOM 0 HA PHE A 361 -1.776 -2.739 -10.017 1.00 2.02 H new ATOM 0 HB2 PHE A 361 -4.352 -3.154 -9.389 1.00 63.42 H new ATOM 0 HB3 PHE A 361 -4.584 -2.991 -11.118 1.00 63.42 H new ATOM 0 HD1 PHE A 361 -3.706 -4.715 -12.667 1.00 30.22 H new ATOM 0 HD2 PHE A 361 -3.186 -5.048 -8.455 1.00 0.44 H new ATOM 0 HE1 PHE A 361 -3.109 -7.090 -12.923 1.00 73.02 H new ATOM 0 HE2 PHE A 361 -2.597 -7.404 -8.696 1.00 24.32 H new ATOM 0 HZ PHE A 361 -2.555 -8.444 -10.931 1.00 62.22 H new ATOM 308 N ASP A 362 -2.965 -0.766 -12.248 1.00 44.45 N ATOM 309 CA ASP A 362 -2.875 -0.246 -13.607 1.00 33.14 C ATOM 310 C ASP A 362 -1.444 0.148 -13.950 1.00 43.03 C ATOM 311 O ASP A 362 -1.126 0.430 -15.115 1.00 22.10 O ATOM 312 CB ASP A 362 -3.800 0.968 -13.779 1.00 63.41 C ATOM 313 CG ASP A 362 -3.484 2.094 -12.817 1.00 4.32 C ATOM 314 OD1 ASP A 362 -2.647 2.962 -13.138 1.00 12.01 O ATOM 315 OD2 ASP A 362 -4.075 2.117 -11.711 1.00 75.51 O ATOM 0 H ASP A 362 -3.457 -0.146 -11.605 1.00 44.45 H new ATOM 0 HA ASP A 362 -3.190 -1.037 -14.287 1.00 33.14 H new ATOM 0 HB2 ASP A 362 -3.719 1.337 -14.801 1.00 63.41 H new ATOM 0 HB3 ASP A 362 -4.834 0.654 -13.635 1.00 63.41 H new ATOM 320 N GLY A 363 -0.599 0.179 -12.952 1.00 71.22 N ATOM 321 CA GLY A 363 0.771 0.490 -13.160 1.00 44.05 C ATOM 322 C GLY A 363 1.666 -0.409 -12.354 1.00 43.11 C ATOM 323 O GLY A 363 1.849 -1.575 -12.693 1.00 2.52 O ATOM 0 H GLY A 363 -0.850 -0.011 -11.982 1.00 71.22 H new ATOM 0 HA2 GLY A 363 1.011 0.391 -14.219 1.00 44.05 H new ATOM 0 HA3 GLY A 363 0.955 1.529 -12.887 1.00 44.05 H new ATOM 327 N ARG A 364 2.192 0.123 -11.280 1.00 73.15 N ATOM 328 CA ARG A 364 3.121 -0.552 -10.425 1.00 31.13 C ATOM 329 C ARG A 364 2.997 0.041 -9.040 1.00 75.10 C ATOM 330 O ARG A 364 2.641 1.219 -8.906 1.00 72.42 O ATOM 331 CB ARG A 364 4.515 -0.297 -10.978 1.00 0.14 C ATOM 332 CG ARG A 364 4.748 1.181 -11.248 1.00 72.33 C ATOM 333 CD ARG A 364 6.085 1.452 -11.828 1.00 0.53 C ATOM 334 NE ARG A 364 6.235 2.875 -12.153 1.00 34.33 N ATOM 335 CZ ARG A 364 7.079 3.384 -13.053 1.00 12.24 C ATOM 336 NH1 ARG A 364 7.883 2.581 -13.755 1.00 11.12 N ATOM 337 NH2 ARG A 364 7.104 4.699 -13.264 1.00 31.44 N ATOM 0 H ARG A 364 1.975 1.070 -10.971 1.00 73.15 H new ATOM 0 HA ARG A 364 2.928 -1.624 -10.379 1.00 31.13 H new ATOM 0 HB2 ARG A 364 5.260 -0.660 -10.270 1.00 0.14 H new ATOM 0 HB3 ARG A 364 4.650 -0.862 -11.900 1.00 0.14 H new ATOM 0 HG2 ARG A 364 3.980 1.547 -11.929 1.00 72.33 H new ATOM 0 HG3 ARG A 364 4.641 1.738 -10.317 1.00 72.33 H new ATOM 0 HD2 ARG A 364 6.860 1.152 -11.122 1.00 0.53 H new ATOM 0 HD3 ARG A 364 6.224 0.853 -12.728 1.00 0.53 H new ATOM 0 HE ARG A 364 5.642 3.533 -11.647 1.00 34.33 H new ATOM 0 HH11 ARG A 364 7.854 1.573 -13.605 1.00 11.12 H new ATOM 0 HH12 ARG A 364 8.526 2.976 -14.441 1.00 11.12 H new ATOM 0 HH21 ARG A 364 6.480 5.312 -12.739 1.00 31.44 H new ATOM 0 HH22 ARG A 364 7.747 5.093 -13.951 1.00 31.44 H new ATOM 351 N MET A 365 3.258 -0.727 -8.020 1.00 24.51 N ATOM 352 CA MET A 365 3.169 -0.178 -6.691 1.00 32.23 C ATOM 353 C MET A 365 4.546 -0.154 -6.094 1.00 64.22 C ATOM 354 O MET A 365 5.370 -1.040 -6.390 1.00 24.40 O ATOM 355 CB MET A 365 2.222 -0.994 -5.801 1.00 3.30 C ATOM 356 CG MET A 365 1.746 -0.233 -4.581 1.00 64.12 C ATOM 357 SD MET A 365 0.545 -1.130 -3.616 1.00 72.22 S ATOM 358 CE MET A 365 0.031 0.143 -2.475 1.00 72.12 C ATOM 0 H MET A 365 3.527 -1.709 -8.075 1.00 24.51 H new ATOM 0 HA MET A 365 2.762 0.831 -6.753 1.00 32.23 H new ATOM 0 HB2 MET A 365 1.358 -1.303 -6.389 1.00 3.30 H new ATOM 0 HB3 MET A 365 2.730 -1.903 -5.479 1.00 3.30 H new ATOM 0 HG2 MET A 365 2.604 0.004 -3.952 1.00 64.12 H new ATOM 0 HG3 MET A 365 1.312 0.715 -4.899 1.00 64.12 H new ATOM 0 HE1 MET A 365 0.306 -0.145 -1.460 1.00 72.12 H new ATOM 0 HE2 MET A 365 0.522 1.082 -2.732 1.00 72.12 H new ATOM 0 HE3 MET A 365 -1.050 0.271 -2.535 1.00 72.12 H new ATOM 368 N ARG A 366 4.833 0.849 -5.288 1.00 55.03 N ATOM 369 CA ARG A 366 6.130 0.910 -4.652 1.00 43.22 C ATOM 370 C ARG A 366 6.100 -0.144 -3.574 1.00 70.52 C ATOM 371 O ARG A 366 5.058 -0.322 -2.924 1.00 40.44 O ATOM 372 CB ARG A 366 6.380 2.242 -3.936 1.00 33.25 C ATOM 373 CG ARG A 366 5.787 3.484 -4.550 1.00 22.02 C ATOM 374 CD ARG A 366 6.226 3.819 -5.946 1.00 22.14 C ATOM 375 NE ARG A 366 5.511 5.031 -6.384 1.00 12.04 N ATOM 376 CZ ARG A 366 5.835 5.809 -7.418 1.00 24.31 C ATOM 377 NH1 ARG A 366 6.875 5.521 -8.167 1.00 41.14 N ATOM 378 NH2 ARG A 366 5.105 6.883 -7.697 1.00 64.20 N ATOM 0 H ARG A 366 4.200 1.616 -5.062 1.00 55.03 H new ATOM 0 HA ARG A 366 6.901 0.779 -5.411 1.00 43.22 H new ATOM 0 HB2 ARG A 366 5.998 2.154 -2.919 1.00 33.25 H new ATOM 0 HB3 ARG A 366 7.458 2.386 -3.860 1.00 33.25 H new ATOM 0 HG2 ARG A 366 4.702 3.379 -4.550 1.00 22.02 H new ATOM 0 HG3 ARG A 366 6.026 4.330 -3.906 1.00 22.02 H new ATOM 0 HD2 ARG A 366 7.303 3.984 -5.975 1.00 22.14 H new ATOM 0 HD3 ARG A 366 6.012 2.989 -6.620 1.00 22.14 H new ATOM 0 HE ARG A 366 4.689 5.301 -5.844 1.00 12.04 H new ATOM 0 HH11 ARG A 366 7.441 4.698 -7.960 1.00 41.14 H new ATOM 0 HH12 ARG A 366 7.117 6.120 -8.956 1.00 41.14 H new ATOM 0 HH21 ARG A 366 4.296 7.114 -7.120 1.00 64.20 H new ATOM 0 HH22 ARG A 366 5.354 7.477 -8.488 1.00 64.20 H new ATOM 392 N LEU A 367 7.190 -0.816 -3.357 1.00 40.40 N ATOM 393 CA LEU A 367 7.250 -1.835 -2.329 1.00 65.32 C ATOM 394 C LEU A 367 6.991 -1.227 -0.934 1.00 53.20 C ATOM 395 O LEU A 367 6.370 -1.850 -0.079 1.00 0.43 O ATOM 396 CB LEU A 367 8.568 -2.607 -2.462 1.00 14.54 C ATOM 397 CG LEU A 367 8.930 -3.691 -1.433 1.00 41.13 C ATOM 398 CD1 LEU A 367 7.761 -4.611 -1.101 1.00 43.34 C ATOM 399 CD2 LEU A 367 10.027 -4.526 -2.033 1.00 12.32 C ATOM 0 H LEU A 367 8.058 -0.683 -3.875 1.00 40.40 H new ATOM 0 HA LEU A 367 6.451 -2.564 -2.461 1.00 65.32 H new ATOM 0 HB2 LEU A 367 8.570 -3.079 -3.445 1.00 14.54 H new ATOM 0 HB3 LEU A 367 9.375 -1.874 -2.459 1.00 14.54 H new ATOM 0 HG LEU A 367 9.227 -3.197 -0.508 1.00 41.13 H new ATOM 0 HD11 LEU A 367 8.079 -5.354 -0.370 1.00 43.34 H new ATOM 0 HD12 LEU A 367 6.941 -4.023 -0.688 1.00 43.34 H new ATOM 0 HD13 LEU A 367 7.425 -5.114 -2.008 1.00 43.34 H new ATOM 0 HD21 LEU A 367 10.313 -5.309 -1.331 1.00 12.32 H new ATOM 0 HD22 LEU A 367 9.674 -4.980 -2.959 1.00 12.32 H new ATOM 0 HD23 LEU A 367 10.890 -3.895 -2.244 1.00 12.32 H new ATOM 411 N ASN A 368 7.409 0.018 -0.753 1.00 5.20 N ATOM 412 CA ASN A 368 7.139 0.744 0.492 1.00 73.10 C ATOM 413 C ASN A 368 5.644 1.092 0.628 1.00 51.03 C ATOM 414 O ASN A 368 5.086 1.018 1.721 1.00 10.04 O ATOM 415 CB ASN A 368 8.003 2.015 0.628 1.00 63.01 C ATOM 416 CG ASN A 368 7.777 3.013 -0.490 1.00 54.33 C ATOM 417 OD1 ASN A 368 6.903 3.862 -0.416 1.00 12.10 O ATOM 418 ND2 ASN A 368 8.571 2.922 -1.525 1.00 5.42 N ATOM 0 H ASN A 368 7.935 0.550 -1.447 1.00 5.20 H new ATOM 0 HA ASN A 368 7.413 0.073 1.306 1.00 73.10 H new ATOM 0 HB2 ASN A 368 7.786 2.494 1.583 1.00 63.01 H new ATOM 0 HB3 ASN A 368 9.055 1.731 0.646 1.00 63.01 H new ATOM 0 HD21 ASN A 368 8.470 3.573 -2.304 1.00 5.42 H new ATOM 0 HD22 ASN A 368 9.291 2.200 -1.554 1.00 5.42 H new ATOM 425 N GLU A 369 4.990 1.445 -0.491 1.00 24.32 N ATOM 426 CA GLU A 369 3.567 1.790 -0.459 1.00 13.11 C ATOM 427 C GLU A 369 2.703 0.600 -0.127 1.00 73.51 C ATOM 428 O GLU A 369 1.661 0.751 0.492 1.00 30.14 O ATOM 429 CB GLU A 369 3.083 2.523 -1.712 1.00 25.43 C ATOM 430 CG GLU A 369 3.546 3.972 -1.793 1.00 24.55 C ATOM 431 CD GLU A 369 3.022 4.691 -3.020 1.00 25.33 C ATOM 432 OE1 GLU A 369 1.836 4.517 -3.364 1.00 55.31 O ATOM 433 OE2 GLU A 369 3.780 5.459 -3.644 1.00 73.22 O ATOM 0 H GLU A 369 5.420 1.497 -1.414 1.00 24.32 H new ATOM 0 HA GLU A 369 3.459 2.506 0.355 1.00 13.11 H new ATOM 0 HB2 GLU A 369 3.436 1.988 -2.594 1.00 25.43 H new ATOM 0 HB3 GLU A 369 1.994 2.497 -1.739 1.00 25.43 H new ATOM 0 HG2 GLU A 369 3.219 4.503 -0.899 1.00 24.55 H new ATOM 0 HG3 GLU A 369 4.636 4.000 -1.799 1.00 24.55 H new ATOM 440 N ILE A 370 3.130 -0.579 -0.549 1.00 11.21 N ATOM 441 CA ILE A 370 2.487 -1.825 -0.140 1.00 0.04 C ATOM 442 C ILE A 370 2.430 -1.900 1.377 1.00 73.32 C ATOM 443 O ILE A 370 1.377 -2.141 1.952 1.00 34.14 O ATOM 444 CB ILE A 370 3.251 -3.027 -0.724 1.00 31.32 C ATOM 445 CG1 ILE A 370 3.103 -2.989 -2.232 1.00 61.53 C ATOM 446 CG2 ILE A 370 2.791 -4.387 -0.137 1.00 71.33 C ATOM 447 CD1 ILE A 370 3.839 -4.053 -2.924 1.00 34.13 C ATOM 0 H ILE A 370 3.923 -0.703 -1.178 1.00 11.21 H new ATOM 0 HA ILE A 370 1.467 -1.851 -0.524 1.00 0.04 H new ATOM 0 HB ILE A 370 4.301 -2.943 -0.444 1.00 31.32 H new ATOM 0 HG12 ILE A 370 2.046 -3.066 -2.486 1.00 61.53 H new ATOM 0 HG13 ILE A 370 3.449 -2.022 -2.598 1.00 61.53 H new ATOM 0 HG21 ILE A 370 3.368 -5.193 -0.590 1.00 71.33 H new ATOM 0 HG22 ILE A 370 2.948 -4.390 0.942 1.00 71.33 H new ATOM 0 HG23 ILE A 370 1.732 -4.536 -0.349 1.00 71.33 H new ATOM 0 HD11 ILE A 370 3.686 -3.962 -3.999 1.00 34.13 H new ATOM 0 HD12 ILE A 370 4.902 -3.965 -2.700 1.00 34.13 H new ATOM 0 HD13 ILE A 370 3.477 -5.024 -2.587 1.00 34.13 H new ATOM 459 N TYR A 371 3.555 -1.631 2.012 1.00 41.13 N ATOM 460 CA TYR A 371 3.629 -1.619 3.464 1.00 23.31 C ATOM 461 C TYR A 371 2.708 -0.539 4.035 1.00 34.24 C ATOM 462 O TYR A 371 1.991 -0.759 5.016 1.00 13.33 O ATOM 463 CB TYR A 371 5.061 -1.376 3.937 1.00 2.11 C ATOM 464 CG TYR A 371 6.076 -2.385 3.457 1.00 42.14 C ATOM 465 CD1 TYR A 371 5.832 -3.745 3.520 1.00 15.41 C ATOM 466 CD2 TYR A 371 7.286 -1.969 2.946 1.00 22.43 C ATOM 467 CE1 TYR A 371 6.770 -4.649 3.088 1.00 63.22 C ATOM 468 CE2 TYR A 371 8.226 -2.866 2.514 1.00 53.15 C ATOM 469 CZ TYR A 371 7.964 -4.204 2.589 1.00 13.10 C ATOM 470 OH TYR A 371 8.903 -5.102 2.164 1.00 24.45 O ATOM 0 H TYR A 371 4.435 -1.417 1.544 1.00 41.13 H new ATOM 0 HA TYR A 371 3.305 -2.595 3.824 1.00 23.31 H new ATOM 0 HB2 TYR A 371 5.373 -0.385 3.606 1.00 2.11 H new ATOM 0 HB3 TYR A 371 5.070 -1.366 5.027 1.00 2.11 H new ATOM 0 HD1 TYR A 371 4.891 -4.100 3.914 1.00 15.41 H new ATOM 0 HD2 TYR A 371 7.498 -0.912 2.885 1.00 22.43 H new ATOM 0 HE1 TYR A 371 6.566 -5.708 3.142 1.00 63.22 H new ATOM 0 HE2 TYR A 371 9.168 -2.518 2.117 1.00 53.15 H new ATOM 0 HH TYR A 371 9.769 -4.886 2.568 1.00 24.45 H new ATOM 480 N ASN A 372 2.717 0.609 3.399 1.00 13.42 N ATOM 481 CA ASN A 372 1.888 1.748 3.815 1.00 72.24 C ATOM 482 C ASN A 372 0.399 1.422 3.709 1.00 73.13 C ATOM 483 O ASN A 372 -0.408 1.898 4.511 1.00 33.42 O ATOM 484 CB ASN A 372 2.223 3.021 3.012 1.00 21.14 C ATOM 485 CG ASN A 372 3.661 3.488 3.202 1.00 53.55 C ATOM 486 OD1 ASN A 372 4.267 3.274 4.263 1.00 2.13 O ATOM 487 ND2 ASN A 372 4.217 4.127 2.197 1.00 31.22 N ATOM 0 H ASN A 372 3.294 0.793 2.578 1.00 13.42 H new ATOM 0 HA ASN A 372 2.119 1.944 4.862 1.00 72.24 H new ATOM 0 HB2 ASN A 372 2.046 2.832 1.953 1.00 21.14 H new ATOM 0 HB3 ASN A 372 1.545 3.821 3.311 1.00 21.14 H new ATOM 0 HD21 ASN A 372 5.176 4.464 2.275 1.00 31.22 H new ATOM 0 HD22 ASN A 372 3.689 4.286 1.339 1.00 31.22 H new ATOM 494 N TRP A 373 0.044 0.599 2.724 1.00 72.04 N ATOM 495 CA TRP A 373 -1.329 0.148 2.533 1.00 34.43 C ATOM 496 C TRP A 373 -1.786 -0.625 3.748 1.00 14.14 C ATOM 497 O TRP A 373 -2.849 -0.346 4.302 1.00 33.14 O ATOM 498 CB TRP A 373 -1.443 -0.730 1.284 1.00 3.44 C ATOM 499 CG TRP A 373 -2.837 -1.245 0.992 1.00 55.52 C ATOM 500 CD1 TRP A 373 -3.766 -0.673 0.175 1.00 10.14 C ATOM 501 CD2 TRP A 373 -3.447 -2.451 1.507 1.00 74.05 C ATOM 502 NE1 TRP A 373 -4.904 -1.442 0.142 1.00 25.35 N ATOM 503 CE2 TRP A 373 -4.735 -2.541 0.951 1.00 31.32 C ATOM 504 CE3 TRP A 373 -3.018 -3.455 2.377 1.00 42.32 C ATOM 505 CZ2 TRP A 373 -5.602 -3.609 1.240 1.00 74.44 C ATOM 506 CZ3 TRP A 373 -3.871 -4.503 2.663 1.00 32.32 C ATOM 507 CH2 TRP A 373 -5.148 -4.573 2.095 1.00 3.34 C ATOM 0 H TRP A 373 0.701 0.228 2.038 1.00 72.04 H new ATOM 0 HA TRP A 373 -1.966 1.022 2.398 1.00 34.43 H new ATOM 0 HB2 TRP A 373 -1.095 -0.159 0.423 1.00 3.44 H new ATOM 0 HB3 TRP A 373 -0.772 -1.582 1.394 1.00 3.44 H new ATOM 0 HD1 TRP A 373 -3.628 0.251 -0.368 1.00 10.14 H new ATOM 0 HE1 TRP A 373 -5.743 -1.231 -0.398 1.00 25.35 H new ATOM 0 HE3 TRP A 373 -2.034 -3.413 2.820 1.00 42.32 H new ATOM 0 HZ2 TRP A 373 -6.588 -3.665 0.803 1.00 74.44 H new ATOM 0 HZ3 TRP A 373 -3.547 -5.282 3.337 1.00 32.32 H new ATOM 0 HH2 TRP A 373 -5.789 -5.408 2.338 1.00 3.34 H new ATOM 518 N PHE A 374 -0.971 -1.590 4.163 1.00 25.52 N ATOM 519 CA PHE A 374 -1.267 -2.407 5.335 1.00 65.33 C ATOM 520 C PHE A 374 -1.407 -1.554 6.568 1.00 61.44 C ATOM 521 O PHE A 374 -2.335 -1.720 7.331 1.00 31.44 O ATOM 522 CB PHE A 374 -0.197 -3.483 5.572 1.00 0.12 C ATOM 523 CG PHE A 374 -0.171 -4.626 4.595 1.00 12.51 C ATOM 524 CD1 PHE A 374 0.496 -4.525 3.396 1.00 4.33 C ATOM 525 CD2 PHE A 374 -0.807 -5.810 4.899 1.00 41.33 C ATOM 526 CE1 PHE A 374 0.528 -5.583 2.512 1.00 34.40 C ATOM 527 CE2 PHE A 374 -0.776 -6.870 4.026 1.00 31.04 C ATOM 528 CZ PHE A 374 -0.108 -6.757 2.828 1.00 62.44 C ATOM 0 H PHE A 374 -0.093 -1.827 3.700 1.00 25.52 H new ATOM 0 HA PHE A 374 -2.215 -2.907 5.135 1.00 65.33 H new ATOM 0 HB2 PHE A 374 0.781 -3.001 5.560 1.00 0.12 H new ATOM 0 HB3 PHE A 374 -0.339 -3.892 6.572 1.00 0.12 H new ATOM 0 HD1 PHE A 374 1.001 -3.605 3.144 1.00 4.33 H new ATOM 0 HD2 PHE A 374 -1.336 -5.906 5.835 1.00 41.33 H new ATOM 0 HE1 PHE A 374 1.053 -5.488 1.573 1.00 34.40 H new ATOM 0 HE2 PHE A 374 -1.276 -7.793 4.280 1.00 31.04 H new ATOM 0 HZ PHE A 374 -0.085 -7.589 2.140 1.00 62.44 H new ATOM 538 N ALA A 375 -0.495 -0.633 6.739 1.00 71.33 N ATOM 539 CA ALA A 375 -0.493 0.253 7.899 1.00 53.12 C ATOM 540 C ALA A 375 -1.763 1.103 7.951 1.00 41.20 C ATOM 541 O ALA A 375 -2.346 1.326 9.012 1.00 62.42 O ATOM 542 CB ALA A 375 0.735 1.141 7.873 1.00 34.33 C ATOM 0 H ALA A 375 0.271 -0.467 6.086 1.00 71.33 H new ATOM 0 HA ALA A 375 -0.468 -0.364 8.797 1.00 53.12 H new ATOM 0 HB1 ALA A 375 0.727 1.798 8.742 1.00 34.33 H new ATOM 0 HB2 ALA A 375 1.632 0.522 7.894 1.00 34.33 H new ATOM 0 HB3 ALA A 375 0.730 1.742 6.964 1.00 34.33 H new ATOM 548 N SER A 376 -2.191 1.547 6.809 1.00 22.25 N ATOM 549 CA SER A 376 -3.348 2.392 6.707 1.00 14.42 C ATOM 550 C SER A 376 -4.670 1.590 6.809 1.00 5.12 C ATOM 551 O SER A 376 -5.595 2.007 7.503 1.00 2.12 O ATOM 552 CB SER A 376 -3.287 3.196 5.405 1.00 23.35 C ATOM 553 OG SER A 376 -2.048 3.914 5.315 1.00 64.22 O ATOM 0 H SER A 376 -1.748 1.334 5.915 1.00 22.25 H new ATOM 0 HA SER A 376 -3.339 3.080 7.552 1.00 14.42 H new ATOM 0 HB2 SER A 376 -3.388 2.525 4.552 1.00 23.35 H new ATOM 0 HB3 SER A 376 -4.123 3.894 5.363 1.00 23.35 H new ATOM 0 HG SER A 376 -1.336 3.304 5.029 1.00 64.22 H new ATOM 559 N ASN A 377 -4.740 0.426 6.161 1.00 43.25 N ATOM 560 CA ASN A 377 -6.004 -0.332 6.127 1.00 10.42 C ATOM 561 C ASN A 377 -6.145 -1.294 7.291 1.00 53.13 C ATOM 562 O ASN A 377 -7.256 -1.645 7.684 1.00 31.45 O ATOM 563 CB ASN A 377 -6.210 -1.059 4.771 1.00 64.15 C ATOM 564 CG ASN A 377 -6.408 -0.103 3.615 1.00 15.24 C ATOM 565 OD1 ASN A 377 -7.534 0.274 3.280 1.00 24.45 O ATOM 566 ND2 ASN A 377 -5.329 0.300 3.000 1.00 2.03 N ATOM 0 H ASN A 377 -3.963 -0.008 5.663 1.00 43.25 H new ATOM 0 HA ASN A 377 -6.798 0.408 6.231 1.00 10.42 H new ATOM 0 HB2 ASN A 377 -5.346 -1.692 4.569 1.00 64.15 H new ATOM 0 HB3 ASN A 377 -7.076 -1.716 4.845 1.00 64.15 H new ATOM 0 HD21 ASN A 377 -5.401 0.947 2.215 1.00 2.03 H new ATOM 0 HD22 ASN A 377 -4.414 -0.033 3.304 1.00 2.03 H new ATOM 573 N VAL A 378 -5.038 -1.709 7.854 1.00 24.34 N ATOM 574 CA VAL A 378 -5.059 -2.634 8.963 1.00 52.23 C ATOM 575 C VAL A 378 -4.545 -1.930 10.230 1.00 32.11 C ATOM 576 O VAL A 378 -3.370 -1.551 10.308 1.00 43.41 O ATOM 577 CB VAL A 378 -4.195 -3.892 8.671 1.00 21.00 C ATOM 578 CG1 VAL A 378 -4.285 -4.900 9.812 1.00 73.43 C ATOM 579 CG2 VAL A 378 -4.586 -4.534 7.341 1.00 41.21 C ATOM 0 H VAL A 378 -4.105 -1.420 7.561 1.00 24.34 H new ATOM 0 HA VAL A 378 -6.088 -2.962 9.113 1.00 52.23 H new ATOM 0 HB VAL A 378 -3.157 -3.568 8.593 1.00 21.00 H new ATOM 0 HG11 VAL A 378 -3.670 -5.769 9.579 1.00 73.43 H new ATOM 0 HG12 VAL A 378 -3.928 -4.440 10.733 1.00 73.43 H new ATOM 0 HG13 VAL A 378 -5.321 -5.213 9.940 1.00 73.43 H new ATOM 0 HG21 VAL A 378 -3.964 -5.412 7.164 1.00 41.21 H new ATOM 0 HG22 VAL A 378 -5.634 -4.832 7.375 1.00 41.21 H new ATOM 0 HG23 VAL A 378 -4.439 -3.817 6.534 1.00 41.21 H new ATOM 589 N PRO A 379 -5.424 -1.748 11.233 1.00 64.13 N ATOM 590 CA PRO A 379 -5.088 -1.047 12.486 1.00 43.13 C ATOM 591 C PRO A 379 -3.900 -1.664 13.253 1.00 31.21 C ATOM 592 O PRO A 379 -3.230 -0.978 14.044 1.00 64.31 O ATOM 593 CB PRO A 379 -6.358 -1.119 13.337 1.00 35.41 C ATOM 594 CG PRO A 379 -7.414 -1.795 12.518 1.00 32.54 C ATOM 595 CD PRO A 379 -6.822 -2.195 11.194 1.00 4.04 C ATOM 0 HA PRO A 379 -4.770 -0.029 12.261 1.00 43.13 H new ATOM 0 HB2 PRO A 379 -6.172 -1.675 14.256 1.00 35.41 H new ATOM 0 HB3 PRO A 379 -6.681 -0.120 13.629 1.00 35.41 H new ATOM 0 HG2 PRO A 379 -7.793 -2.672 13.042 1.00 32.54 H new ATOM 0 HG3 PRO A 379 -8.260 -1.124 12.366 1.00 32.54 H new ATOM 0 HD2 PRO A 379 -6.884 -3.273 11.047 1.00 4.04 H new ATOM 0 HD3 PRO A 379 -7.359 -1.729 10.368 1.00 4.04 H new ATOM 603 N TYR A 380 -3.652 -2.944 13.030 1.00 64.31 N ATOM 604 CA TYR A 380 -2.525 -3.638 13.642 1.00 75.12 C ATOM 605 C TYR A 380 -1.222 -3.123 13.053 1.00 24.14 C ATOM 606 O TYR A 380 -0.240 -2.937 13.758 1.00 53.11 O ATOM 607 CB TYR A 380 -2.666 -5.149 13.418 1.00 31.24 C ATOM 608 CG TYR A 380 -1.597 -5.985 14.064 1.00 61.22 C ATOM 609 CD1 TYR A 380 -1.614 -6.204 15.420 1.00 15.24 C ATOM 610 CD2 TYR A 380 -0.583 -6.565 13.315 1.00 3.44 C ATOM 611 CE1 TYR A 380 -0.664 -6.972 16.031 1.00 40.40 C ATOM 612 CE2 TYR A 380 0.385 -7.341 13.916 1.00 14.23 C ATOM 613 CZ TYR A 380 0.339 -7.543 15.281 1.00 61.21 C ATOM 614 OH TYR A 380 1.289 -8.326 15.898 1.00 75.13 O ATOM 0 H TYR A 380 -4.222 -3.532 12.422 1.00 64.31 H new ATOM 0 HA TYR A 380 -2.517 -3.446 14.715 1.00 75.12 H new ATOM 0 HB2 TYR A 380 -3.636 -5.469 13.797 1.00 31.24 H new ATOM 0 HB3 TYR A 380 -2.662 -5.345 12.346 1.00 31.24 H new ATOM 0 HD1 TYR A 380 -2.396 -5.759 16.017 1.00 15.24 H new ATOM 0 HD2 TYR A 380 -0.552 -6.406 12.247 1.00 3.44 H new ATOM 0 HE1 TYR A 380 -0.700 -7.131 17.099 1.00 40.40 H new ATOM 0 HE2 TYR A 380 1.172 -7.786 13.325 1.00 14.23 H new ATOM 0 HH TYR A 380 1.926 -8.655 15.230 1.00 75.13 H new ATOM 624 N PHE A 381 -1.215 -2.896 11.773 1.00 54.02 N ATOM 625 CA PHE A 381 -0.054 -2.347 11.138 1.00 63.14 C ATOM 626 C PHE A 381 0.054 -0.885 11.398 1.00 23.02 C ATOM 627 O PHE A 381 1.132 -0.337 11.409 1.00 2.34 O ATOM 628 CB PHE A 381 0.043 -2.715 9.686 1.00 32.41 C ATOM 629 CG PHE A 381 0.125 -4.181 9.522 1.00 40.12 C ATOM 630 CD1 PHE A 381 1.072 -4.903 10.218 1.00 64.40 C ATOM 631 CD2 PHE A 381 -0.731 -4.843 8.693 1.00 41.22 C ATOM 632 CE1 PHE A 381 1.153 -6.255 10.087 1.00 24.43 C ATOM 633 CE2 PHE A 381 -0.655 -6.193 8.552 1.00 40.11 C ATOM 634 CZ PHE A 381 0.292 -6.901 9.255 1.00 74.45 C ATOM 0 H PHE A 381 -2.000 -3.082 11.148 1.00 54.02 H new ATOM 0 HA PHE A 381 0.823 -2.808 11.593 1.00 63.14 H new ATOM 0 HB2 PHE A 381 -0.826 -2.332 9.150 1.00 32.41 H new ATOM 0 HB3 PHE A 381 0.922 -2.245 9.245 1.00 32.41 H new ATOM 0 HD1 PHE A 381 1.758 -4.389 10.875 1.00 64.40 H new ATOM 0 HD2 PHE A 381 -1.477 -4.289 8.143 1.00 41.22 H new ATOM 0 HE1 PHE A 381 1.896 -6.811 10.640 1.00 24.43 H new ATOM 0 HE2 PHE A 381 -1.336 -6.708 7.890 1.00 40.11 H new ATOM 0 HZ PHE A 381 0.352 -7.974 9.146 1.00 74.45 H new ATOM 644 N GLY A 382 -1.089 -0.257 11.609 1.00 33.52 N ATOM 645 CA GLY A 382 -1.121 1.135 11.982 1.00 73.41 C ATOM 646 C GLY A 382 -0.323 1.395 13.265 1.00 60.21 C ATOM 647 O GLY A 382 0.282 2.456 13.420 1.00 1.32 O ATOM 0 H GLY A 382 -2.006 -0.695 11.527 1.00 33.52 H new ATOM 0 HA2 GLY A 382 -0.714 1.739 11.171 1.00 73.41 H new ATOM 0 HA3 GLY A 382 -2.155 1.450 12.126 1.00 73.41 H new ATOM 651 N ASN A 383 -0.300 0.414 14.186 1.00 42.02 N ATOM 652 CA ASN A 383 0.484 0.550 15.395 1.00 14.15 C ATOM 653 C ASN A 383 1.918 0.047 15.195 1.00 51.41 C ATOM 654 O ASN A 383 2.750 0.132 16.093 1.00 64.30 O ATOM 655 CB ASN A 383 -0.171 -0.117 16.630 1.00 12.51 C ATOM 656 CG ASN A 383 -0.370 -1.617 16.564 1.00 22.21 C ATOM 657 OD1 ASN A 383 0.528 -2.395 16.889 1.00 34.45 O ATOM 658 ND2 ASN A 383 -1.552 -2.034 16.229 1.00 74.34 N ATOM 0 H ASN A 383 -0.813 -0.464 14.105 1.00 42.02 H new ATOM 0 HA ASN A 383 0.520 1.619 15.606 1.00 14.15 H new ATOM 0 HB2 ASN A 383 0.441 0.107 17.503 1.00 12.51 H new ATOM 0 HB3 ASN A 383 -1.143 0.349 16.794 1.00 12.51 H new ATOM 0 HD21 ASN A 383 -1.760 -3.033 16.230 1.00 74.34 H new ATOM 0 HD22 ASN A 383 -2.274 -1.363 15.965 1.00 74.34 H new ATOM 665 N ARG A 384 2.207 -0.467 14.018 1.00 41.22 N ATOM 666 CA ARG A 384 3.549 -0.902 13.678 1.00 20.24 C ATOM 667 C ARG A 384 4.048 -0.157 12.457 1.00 43.42 C ATOM 668 O ARG A 384 4.148 -0.726 11.367 1.00 63.20 O ATOM 669 CB ARG A 384 3.654 -2.412 13.436 1.00 2.44 C ATOM 670 CG ARG A 384 3.441 -3.298 14.642 1.00 55.52 C ATOM 671 CD ARG A 384 3.710 -4.746 14.266 1.00 40.21 C ATOM 672 NE ARG A 384 3.647 -5.655 15.410 1.00 74.04 N ATOM 673 CZ ARG A 384 4.285 -6.840 15.480 1.00 72.23 C ATOM 674 NH1 ARG A 384 5.068 -7.239 14.479 1.00 2.04 N ATOM 675 NH2 ARG A 384 4.155 -7.604 16.561 1.00 45.21 N ATOM 0 H ARG A 384 1.523 -0.595 13.272 1.00 41.22 H new ATOM 0 HA ARG A 384 4.173 -0.673 14.542 1.00 20.24 H new ATOM 0 HB2 ARG A 384 2.924 -2.688 12.675 1.00 2.44 H new ATOM 0 HB3 ARG A 384 4.641 -2.625 13.024 1.00 2.44 H new ATOM 0 HG2 ARG A 384 4.104 -2.993 15.451 1.00 55.52 H new ATOM 0 HG3 ARG A 384 2.420 -3.191 15.009 1.00 55.52 H new ATOM 0 HD2 ARG A 384 2.983 -5.062 13.517 1.00 40.21 H new ATOM 0 HD3 ARG A 384 4.695 -4.819 13.805 1.00 40.21 H new ATOM 0 HE ARG A 384 3.081 -5.373 16.210 1.00 74.04 H new ATOM 0 HH11 ARG A 384 5.186 -6.647 13.657 1.00 2.04 H new ATOM 0 HH12 ARG A 384 5.550 -8.136 14.535 1.00 2.04 H new ATOM 0 HH21 ARG A 384 3.572 -7.293 17.338 1.00 45.21 H new ATOM 0 HH22 ARG A 384 4.638 -8.501 16.613 1.00 45.21 H new ATOM 689 N THR A 385 4.325 1.107 12.621 1.00 10.34 N ATOM 690 CA THR A 385 4.725 1.935 11.497 1.00 72.21 C ATOM 691 C THR A 385 6.146 2.468 11.618 1.00 14.31 C ATOM 692 O THR A 385 6.711 2.965 10.639 1.00 71.54 O ATOM 693 CB THR A 385 3.741 3.099 11.276 1.00 10.53 C ATOM 694 OG1 THR A 385 3.516 3.791 12.520 1.00 75.01 O ATOM 695 CG2 THR A 385 2.422 2.593 10.723 1.00 32.12 C ATOM 0 H THR A 385 4.284 1.593 13.517 1.00 10.34 H new ATOM 0 HA THR A 385 4.702 1.279 10.627 1.00 72.21 H new ATOM 0 HB THR A 385 4.177 3.786 10.551 1.00 10.53 H new ATOM 0 HG1 THR A 385 2.891 4.531 12.374 1.00 75.01 H new ATOM 0 HG21 THR A 385 1.743 3.433 10.575 1.00 32.12 H new ATOM 0 HG22 THR A 385 2.595 2.094 9.770 1.00 32.12 H new ATOM 0 HG23 THR A 385 1.979 1.888 11.426 1.00 32.12 H new ATOM 703 N SER A 386 6.728 2.365 12.799 1.00 1.14 N ATOM 704 CA SER A 386 8.068 2.840 13.002 1.00 32.24 C ATOM 705 C SER A 386 9.074 1.836 12.385 1.00 53.53 C ATOM 706 O SER A 386 8.680 0.733 11.972 1.00 4.12 O ATOM 707 CB SER A 386 8.318 3.096 14.498 1.00 11.24 C ATOM 708 OG SER A 386 9.608 3.632 14.735 1.00 4.53 O ATOM 0 H SER A 386 6.289 1.957 13.624 1.00 1.14 H new ATOM 0 HA SER A 386 8.210 3.794 12.494 1.00 32.24 H new ATOM 0 HB2 SER A 386 7.564 3.784 14.879 1.00 11.24 H new ATOM 0 HB3 SER A 386 8.206 2.163 15.050 1.00 11.24 H new ATOM 0 HG SER A 386 9.728 3.782 15.696 1.00 4.53 H new ATOM 714 N GLN A 387 10.348 2.208 12.350 1.00 71.45 N ATOM 715 CA GLN A 387 11.392 1.441 11.644 1.00 73.10 C ATOM 716 C GLN A 387 11.483 -0.017 12.105 1.00 65.45 C ATOM 717 O GLN A 387 11.371 -0.938 11.297 1.00 73.44 O ATOM 718 CB GLN A 387 12.754 2.108 11.833 1.00 71.14 C ATOM 719 CG GLN A 387 12.835 3.540 11.330 1.00 31.34 C ATOM 720 CD GLN A 387 14.207 4.137 11.540 1.00 54.22 C ATOM 721 OE1 GLN A 387 15.079 4.041 10.681 1.00 3.02 O ATOM 722 NE2 GLN A 387 14.409 4.750 12.674 1.00 34.13 N ATOM 0 H GLN A 387 10.697 3.050 12.808 1.00 71.45 H new ATOM 0 HA GLN A 387 11.109 1.436 10.591 1.00 73.10 H new ATOM 0 HB2 GLN A 387 13.006 2.095 12.893 1.00 71.14 H new ATOM 0 HB3 GLN A 387 13.509 1.513 11.319 1.00 71.14 H new ATOM 0 HG2 GLN A 387 12.587 3.566 10.269 1.00 31.34 H new ATOM 0 HG3 GLN A 387 12.092 4.148 11.846 1.00 31.34 H new ATOM 0 HE21 GLN A 387 13.659 4.809 13.363 1.00 34.13 H new ATOM 0 HE22 GLN A 387 15.317 5.171 12.872 1.00 34.13 H new ATOM 731 N GLU A 388 11.627 -0.213 13.391 1.00 42.25 N ATOM 732 CA GLU A 388 11.778 -1.545 13.956 1.00 13.55 C ATOM 733 C GLU A 388 10.414 -2.157 14.202 1.00 41.24 C ATOM 734 O GLU A 388 10.252 -3.372 14.209 1.00 51.02 O ATOM 735 CB GLU A 388 12.570 -1.463 15.256 1.00 25.11 C ATOM 736 CG GLU A 388 13.949 -0.852 15.080 1.00 42.34 C ATOM 737 CD GLU A 388 14.648 -0.613 16.386 1.00 24.23 C ATOM 738 OE1 GLU A 388 14.402 0.441 17.004 1.00 63.23 O ATOM 739 OE2 GLU A 388 15.459 -1.449 16.811 1.00 23.04 O ATOM 0 H GLU A 388 11.644 0.539 14.080 1.00 42.25 H new ATOM 0 HA GLU A 388 12.321 -2.178 13.254 1.00 13.55 H new ATOM 0 HB2 GLU A 388 12.008 -0.872 15.979 1.00 25.11 H new ATOM 0 HB3 GLU A 388 12.674 -2.464 15.674 1.00 25.11 H new ATOM 0 HG2 GLU A 388 14.558 -1.512 14.462 1.00 42.34 H new ATOM 0 HG3 GLU A 388 13.858 0.092 14.543 1.00 42.34 H new ATOM 746 N GLN A 389 9.428 -1.298 14.368 1.00 24.44 N ATOM 747 CA GLN A 389 8.060 -1.721 14.592 1.00 41.24 C ATOM 748 C GLN A 389 7.480 -2.420 13.369 1.00 71.44 C ATOM 749 O GLN A 389 6.688 -3.347 13.497 1.00 42.21 O ATOM 750 CB GLN A 389 7.193 -0.519 14.981 1.00 31.04 C ATOM 751 CG GLN A 389 7.558 0.083 16.329 1.00 44.14 C ATOM 752 CD GLN A 389 7.225 -0.831 17.490 1.00 72.02 C ATOM 753 OE1 GLN A 389 7.919 -0.837 18.505 1.00 32.33 O ATOM 754 NE2 GLN A 389 6.127 -1.544 17.380 1.00 2.21 N ATOM 0 H GLN A 389 9.553 -0.286 14.351 1.00 24.44 H new ATOM 0 HA GLN A 389 8.063 -2.440 15.411 1.00 41.24 H new ATOM 0 HB2 GLN A 389 7.285 0.249 14.213 1.00 31.04 H new ATOM 0 HB3 GLN A 389 6.148 -0.827 15.001 1.00 31.04 H new ATOM 0 HG2 GLN A 389 8.624 0.308 16.344 1.00 44.14 H new ATOM 0 HG3 GLN A 389 7.031 1.029 16.454 1.00 44.14 H new ATOM 0 HE21 GLN A 389 5.581 -1.510 16.519 1.00 2.21 H new ATOM 0 HE22 GLN A 389 5.821 -2.132 18.155 1.00 2.21 H new ATOM 763 N SER A 390 7.883 -1.992 12.196 1.00 30.24 N ATOM 764 CA SER A 390 7.338 -2.541 10.979 1.00 1.44 C ATOM 765 C SER A 390 8.289 -3.526 10.275 1.00 73.14 C ATOM 766 O SER A 390 7.844 -4.345 9.462 1.00 12.11 O ATOM 767 CB SER A 390 6.940 -1.406 10.040 1.00 72.22 C ATOM 768 OG SER A 390 8.055 -0.590 9.723 1.00 32.23 O ATOM 0 H SER A 390 8.586 -1.266 12.059 1.00 30.24 H new ATOM 0 HA SER A 390 6.457 -3.122 11.253 1.00 1.44 H new ATOM 0 HB2 SER A 390 6.516 -1.819 9.125 1.00 72.22 H new ATOM 0 HB3 SER A 390 6.163 -0.800 10.506 1.00 72.22 H new ATOM 0 HG SER A 390 8.215 0.043 10.453 1.00 32.23 H new ATOM 774 N ALA A 391 9.573 -3.464 10.613 1.00 73.24 N ATOM 775 CA ALA A 391 10.618 -4.267 9.950 1.00 60.23 C ATOM 776 C ALA A 391 10.314 -5.767 9.903 1.00 74.43 C ATOM 777 O ALA A 391 10.607 -6.435 8.903 1.00 43.44 O ATOM 778 CB ALA A 391 11.953 -4.035 10.619 1.00 44.42 C ATOM 0 H ALA A 391 9.928 -2.858 11.353 1.00 73.24 H new ATOM 0 HA ALA A 391 10.646 -3.928 8.914 1.00 60.23 H new ATOM 0 HB1 ALA A 391 12.718 -4.632 10.122 1.00 44.42 H new ATOM 0 HB2 ALA A 391 12.216 -2.979 10.550 1.00 44.42 H new ATOM 0 HB3 ALA A 391 11.890 -4.326 11.668 1.00 44.42 H new ATOM 784 N GLY A 392 9.719 -6.282 10.954 1.00 3.04 N ATOM 785 CA GLY A 392 9.439 -7.693 11.029 1.00 60.43 C ATOM 786 C GLY A 392 8.327 -8.138 10.126 1.00 21.13 C ATOM 787 O GLY A 392 8.425 -9.194 9.497 1.00 33.21 O ATOM 0 H GLY A 392 9.421 -5.744 11.767 1.00 3.04 H new ATOM 0 HA2 GLY A 392 10.343 -8.247 10.777 1.00 60.43 H new ATOM 0 HA3 GLY A 392 9.184 -7.949 12.057 1.00 60.43 H new ATOM 791 N TRP A 393 7.257 -7.369 10.041 1.00 11.23 N ATOM 792 CA TRP A 393 6.186 -7.776 9.166 1.00 1.02 C ATOM 793 C TRP A 393 6.543 -7.515 7.704 1.00 64.00 C ATOM 794 O TRP A 393 6.078 -8.223 6.803 1.00 2.30 O ATOM 795 CB TRP A 393 4.791 -7.253 9.577 1.00 34.33 C ATOM 796 CG TRP A 393 4.608 -5.779 9.577 1.00 63.43 C ATOM 797 CD1 TRP A 393 4.840 -4.931 10.598 1.00 13.14 C ATOM 798 CD2 TRP A 393 4.107 -4.993 8.504 1.00 53.44 C ATOM 799 NE1 TRP A 393 4.522 -3.641 10.225 1.00 64.14 N ATOM 800 CE2 TRP A 393 4.077 -3.656 8.940 1.00 42.22 C ATOM 801 CE3 TRP A 393 3.690 -5.296 7.219 1.00 60.53 C ATOM 802 CZ2 TRP A 393 3.642 -2.616 8.128 1.00 21.45 C ATOM 803 CZ3 TRP A 393 3.260 -4.269 6.408 1.00 51.35 C ATOM 804 CH2 TRP A 393 3.240 -2.941 6.865 1.00 52.13 C ATOM 0 H TRP A 393 7.112 -6.495 10.546 1.00 11.23 H new ATOM 0 HA TRP A 393 6.085 -8.855 9.281 1.00 1.02 H new ATOM 0 HB2 TRP A 393 4.052 -7.688 8.904 1.00 34.33 H new ATOM 0 HB3 TRP A 393 4.569 -7.624 10.578 1.00 34.33 H new ATOM 0 HD1 TRP A 393 5.220 -5.219 11.567 1.00 13.14 H new ATOM 0 HE1 TRP A 393 4.607 -2.813 10.815 1.00 64.14 H new ATOM 0 HE3 TRP A 393 3.702 -6.315 6.861 1.00 60.53 H new ATOM 0 HZ2 TRP A 393 3.623 -1.595 8.481 1.00 21.45 H new ATOM 0 HZ3 TRP A 393 2.932 -4.489 5.403 1.00 51.35 H new ATOM 0 HH2 TRP A 393 2.899 -2.160 6.202 1.00 52.13 H new ATOM 815 N LYS A 394 7.405 -6.509 7.471 1.00 22.42 N ATOM 816 CA LYS A 394 7.943 -6.264 6.145 1.00 34.25 C ATOM 817 C LYS A 394 8.790 -7.431 5.703 1.00 34.53 C ATOM 818 O LYS A 394 8.775 -7.819 4.531 1.00 32.41 O ATOM 819 CB LYS A 394 8.794 -5.016 6.136 1.00 11.14 C ATOM 820 CG LYS A 394 8.006 -3.777 6.370 1.00 21.12 C ATOM 821 CD LYS A 394 8.879 -2.565 6.395 1.00 63.30 C ATOM 822 CE LYS A 394 8.038 -1.353 6.608 1.00 34.12 C ATOM 823 NZ LYS A 394 8.831 -0.114 6.591 1.00 34.41 N ATOM 0 H LYS A 394 7.735 -5.862 8.187 1.00 22.42 H new ATOM 0 HA LYS A 394 7.104 -6.135 5.462 1.00 34.25 H new ATOM 0 HB2 LYS A 394 9.564 -5.101 6.903 1.00 11.14 H new ATOM 0 HB3 LYS A 394 9.307 -4.939 5.177 1.00 11.14 H new ATOM 0 HG2 LYS A 394 7.256 -3.669 5.587 1.00 21.12 H new ATOM 0 HG3 LYS A 394 7.470 -3.859 7.316 1.00 21.12 H new ATOM 0 HD2 LYS A 394 9.618 -2.652 7.191 1.00 63.30 H new ATOM 0 HD3 LYS A 394 9.428 -2.480 5.457 1.00 63.30 H new ATOM 0 HE2 LYS A 394 7.273 -1.303 5.833 1.00 34.12 H new ATOM 0 HE3 LYS A 394 7.519 -1.437 7.563 1.00 34.12 H new ATOM 0 HZ1 LYS A 394 8.204 0.702 6.743 1.00 34.41 H new ATOM 0 HZ2 LYS A 394 9.544 -0.148 7.347 1.00 34.41 H new ATOM 0 HZ3 LYS A 394 9.306 -0.019 5.671 1.00 34.41 H new ATOM 837 N ASN A 395 9.513 -8.010 6.662 1.00 53.24 N ATOM 838 CA ASN A 395 10.407 -9.132 6.392 1.00 11.21 C ATOM 839 C ASN A 395 9.613 -10.314 5.838 1.00 3.24 C ATOM 840 O ASN A 395 10.042 -10.985 4.900 1.00 74.23 O ATOM 841 CB ASN A 395 11.124 -9.547 7.679 1.00 1.30 C ATOM 842 CG ASN A 395 12.136 -10.656 7.474 1.00 75.14 C ATOM 843 OD1 ASN A 395 12.767 -10.762 6.424 1.00 64.42 O ATOM 844 ND2 ASN A 395 12.280 -11.491 8.462 1.00 63.23 N ATOM 0 H ASN A 395 9.495 -7.717 7.639 1.00 53.24 H new ATOM 0 HA ASN A 395 11.147 -8.824 5.653 1.00 11.21 H new ATOM 0 HB2 ASN A 395 11.629 -8.678 8.101 1.00 1.30 H new ATOM 0 HB3 ASN A 395 10.384 -9.872 8.410 1.00 1.30 H new ATOM 0 HD21 ASN A 395 12.936 -12.268 8.381 1.00 63.23 H new ATOM 0 HD22 ASN A 395 11.737 -11.368 9.317 1.00 63.23 H new ATOM 851 N SER A 396 8.444 -10.530 6.405 1.00 13.51 N ATOM 852 CA SER A 396 7.567 -11.608 6.004 1.00 53.44 C ATOM 853 C SER A 396 7.020 -11.394 4.572 1.00 44.12 C ATOM 854 O SER A 396 6.929 -12.344 3.779 1.00 71.43 O ATOM 855 CB SER A 396 6.441 -11.714 7.010 1.00 54.21 C ATOM 856 OG SER A 396 6.964 -11.903 8.318 1.00 53.14 O ATOM 0 H SER A 396 8.074 -9.957 7.163 1.00 13.51 H new ATOM 0 HA SER A 396 8.130 -12.541 5.985 1.00 53.44 H new ATOM 0 HB2 SER A 396 5.833 -10.810 6.981 1.00 54.21 H new ATOM 0 HB3 SER A 396 5.788 -12.546 6.748 1.00 54.21 H new ATOM 0 HG SER A 396 7.346 -11.061 8.643 1.00 53.14 H new ATOM 862 N ILE A 397 6.673 -10.151 4.248 1.00 3.43 N ATOM 863 CA ILE A 397 6.202 -9.802 2.904 1.00 12.01 C ATOM 864 C ILE A 397 7.326 -10.052 1.886 1.00 24.50 C ATOM 865 O ILE A 397 7.115 -10.704 0.868 1.00 33.12 O ATOM 866 CB ILE A 397 5.701 -8.318 2.850 1.00 44.41 C ATOM 867 CG1 ILE A 397 4.420 -8.160 3.690 1.00 41.32 C ATOM 868 CG2 ILE A 397 5.464 -7.843 1.416 1.00 43.33 C ATOM 869 CD1 ILE A 397 3.925 -6.743 3.826 1.00 54.13 C ATOM 0 H ILE A 397 6.708 -9.365 4.897 1.00 3.43 H new ATOM 0 HA ILE A 397 5.352 -10.435 2.649 1.00 12.01 H new ATOM 0 HB ILE A 397 6.486 -7.690 3.271 1.00 44.41 H new ATOM 0 HG12 ILE A 397 3.631 -8.764 3.242 1.00 41.32 H new ATOM 0 HG13 ILE A 397 4.603 -8.563 4.686 1.00 41.32 H new ATOM 0 HG21 ILE A 397 5.118 -6.810 1.428 1.00 43.33 H new ATOM 0 HG22 ILE A 397 6.395 -7.907 0.853 1.00 43.33 H new ATOM 0 HG23 ILE A 397 4.710 -8.473 0.944 1.00 43.33 H new ATOM 0 HD11 ILE A 397 3.020 -6.730 4.433 1.00 54.13 H new ATOM 0 HD12 ILE A 397 4.692 -6.134 4.305 1.00 54.13 H new ATOM 0 HD13 ILE A 397 3.705 -6.338 2.838 1.00 54.13 H new ATOM 881 N ARG A 398 8.517 -9.561 2.207 1.00 4.44 N ATOM 882 CA ARG A 398 9.720 -9.786 1.396 1.00 52.10 C ATOM 883 C ARG A 398 9.996 -11.278 1.192 1.00 11.51 C ATOM 884 O ARG A 398 10.314 -11.723 0.070 1.00 63.14 O ATOM 885 CB ARG A 398 10.908 -9.132 2.070 1.00 23.14 C ATOM 886 CG ARG A 398 10.974 -7.636 1.931 1.00 12.23 C ATOM 887 CD ARG A 398 11.370 -7.230 0.536 1.00 71.30 C ATOM 888 NE ARG A 398 11.764 -5.823 0.495 1.00 43.45 N ATOM 889 CZ ARG A 398 12.720 -5.330 -0.297 1.00 51.31 C ATOM 890 NH1 ARG A 398 13.350 -6.123 -1.156 1.00 32.34 N ATOM 891 NH2 ARG A 398 13.041 -4.039 -0.231 1.00 4.10 N ATOM 0 H ARG A 398 8.682 -8.993 3.038 1.00 4.44 H new ATOM 0 HA ARG A 398 9.555 -9.343 0.414 1.00 52.10 H new ATOM 0 HB2 ARG A 398 10.888 -9.383 3.131 1.00 23.14 H new ATOM 0 HB3 ARG A 398 11.822 -9.561 1.658 1.00 23.14 H new ATOM 0 HG2 ARG A 398 10.004 -7.203 2.176 1.00 12.23 H new ATOM 0 HG3 ARG A 398 11.692 -7.234 2.646 1.00 12.23 H new ATOM 0 HD2 ARG A 398 12.195 -7.853 0.192 1.00 71.30 H new ATOM 0 HD3 ARG A 398 10.537 -7.399 -0.147 1.00 71.30 H new ATOM 0 HE ARG A 398 11.276 -5.174 1.113 1.00 43.45 H new ATOM 0 HH11 ARG A 398 13.104 -7.111 -1.212 1.00 32.34 H new ATOM 0 HH12 ARG A 398 14.080 -5.744 -1.760 1.00 32.34 H new ATOM 0 HH21 ARG A 398 12.557 -3.426 0.425 1.00 4.10 H new ATOM 0 HH22 ARG A 398 13.771 -3.663 -0.836 1.00 4.10 H new ATOM 905 N HIS A 399 9.869 -12.042 2.269 1.00 42.10 N ATOM 906 CA HIS A 399 10.060 -13.487 2.240 1.00 13.05 C ATOM 907 C HIS A 399 9.113 -14.143 1.235 1.00 61.24 C ATOM 908 O HIS A 399 9.543 -14.889 0.373 1.00 52.11 O ATOM 909 CB HIS A 399 9.865 -14.081 3.659 1.00 23.34 C ATOM 910 CG HIS A 399 9.938 -15.588 3.747 1.00 43.51 C ATOM 911 ND1 HIS A 399 11.118 -16.287 3.795 1.00 51.43 N ATOM 912 CD2 HIS A 399 8.957 -16.518 3.804 1.00 14.25 C ATOM 913 CE1 HIS A 399 10.865 -17.574 3.876 1.00 11.41 C ATOM 914 NE2 HIS A 399 9.564 -17.743 3.886 1.00 62.02 N ATOM 0 H HIS A 399 9.630 -11.676 3.191 1.00 42.10 H new ATOM 0 HA HIS A 399 11.080 -13.695 1.917 1.00 13.05 H new ATOM 0 HB2 HIS A 399 10.623 -13.658 4.319 1.00 23.34 H new ATOM 0 HB3 HIS A 399 8.896 -13.758 4.039 1.00 23.34 H new ATOM 0 HD2 HIS A 399 7.894 -16.330 3.788 1.00 14.25 H new ATOM 0 HE1 HIS A 399 11.604 -18.360 3.926 1.00 11.41 H new ATOM 0 HE2 HIS A 399 9.083 -18.640 3.945 1.00 62.02 H new ATOM 923 N ASN A 400 7.843 -13.837 1.338 1.00 30.14 N ATOM 924 CA ASN A 400 6.846 -14.411 0.443 1.00 24.31 C ATOM 925 C ASN A 400 6.950 -13.912 -0.980 1.00 75.44 C ATOM 926 O ASN A 400 6.680 -14.668 -1.928 1.00 12.11 O ATOM 927 CB ASN A 400 5.471 -14.236 1.024 1.00 1.34 C ATOM 928 CG ASN A 400 5.316 -15.104 2.238 1.00 64.31 C ATOM 929 OD1 ASN A 400 5.859 -16.202 2.302 1.00 73.32 O ATOM 930 ND2 ASN A 400 4.648 -14.622 3.204 1.00 41.10 N ATOM 0 H ASN A 400 7.466 -13.192 2.033 1.00 30.14 H new ATOM 0 HA ASN A 400 7.052 -15.479 0.368 1.00 24.31 H new ATOM 0 HB2 ASN A 400 5.309 -13.191 1.290 1.00 1.34 H new ATOM 0 HB3 ASN A 400 4.717 -14.496 0.281 1.00 1.34 H new ATOM 0 HD21 ASN A 400 4.549 -15.152 4.070 1.00 41.10 H new ATOM 0 HD22 ASN A 400 4.210 -13.705 3.114 1.00 41.10 H new ATOM 937 N LEU A 401 7.347 -12.657 -1.152 1.00 63.44 N ATOM 938 CA LEU A 401 7.590 -12.113 -2.484 1.00 50.02 C ATOM 939 C LEU A 401 8.652 -12.918 -3.210 1.00 71.40 C ATOM 940 O LEU A 401 8.502 -13.246 -4.373 1.00 60.21 O ATOM 941 CB LEU A 401 7.967 -10.617 -2.430 1.00 11.20 C ATOM 942 CG LEU A 401 6.821 -9.654 -2.097 1.00 54.30 C ATOM 943 CD1 LEU A 401 7.340 -8.236 -1.893 1.00 42.53 C ATOM 944 CD2 LEU A 401 5.812 -9.656 -3.227 1.00 52.20 C ATOM 0 H LEU A 401 7.507 -11.998 -0.390 1.00 63.44 H new ATOM 0 HA LEU A 401 6.659 -12.192 -3.046 1.00 50.02 H new ATOM 0 HB2 LEU A 401 8.754 -10.486 -1.688 1.00 11.20 H new ATOM 0 HB3 LEU A 401 8.388 -10.332 -3.394 1.00 11.20 H new ATOM 0 HG LEU A 401 6.351 -9.990 -1.173 1.00 54.30 H new ATOM 0 HD11 LEU A 401 6.507 -7.574 -1.658 1.00 42.53 H new ATOM 0 HD12 LEU A 401 8.055 -8.225 -1.070 1.00 42.53 H new ATOM 0 HD13 LEU A 401 7.830 -7.893 -2.804 1.00 42.53 H new ATOM 0 HD21 LEU A 401 4.998 -8.971 -2.989 1.00 52.20 H new ATOM 0 HD22 LEU A 401 6.298 -9.336 -4.149 1.00 52.20 H new ATOM 0 HD23 LEU A 401 5.413 -10.662 -3.357 1.00 52.20 H new ATOM 1257 N TRP A 421 7.227 -3.215 -7.960 1.00 4.23 N ATOM 1258 CA TRP A 421 7.001 -4.483 -8.597 1.00 23.51 C ATOM 1259 C TRP A 421 5.549 -4.631 -9.009 1.00 51.32 C ATOM 1260 O TRP A 421 4.687 -3.838 -8.589 1.00 4.31 O ATOM 1261 CB TRP A 421 7.461 -5.653 -7.678 1.00 4.22 C ATOM 1262 CG TRP A 421 6.705 -5.798 -6.416 1.00 73.43 C ATOM 1263 CD1 TRP A 421 6.991 -5.236 -5.219 1.00 34.11 C ATOM 1264 CD2 TRP A 421 5.546 -6.598 -6.225 1.00 40.11 C ATOM 1265 NE1 TRP A 421 6.074 -5.635 -4.299 1.00 43.32 N ATOM 1266 CE2 TRP A 421 5.170 -6.468 -4.901 1.00 21.43 C ATOM 1267 CE3 TRP A 421 4.789 -7.405 -7.062 1.00 1.12 C ATOM 1268 CZ2 TRP A 421 4.065 -7.120 -4.382 1.00 43.43 C ATOM 1269 CZ3 TRP A 421 3.698 -8.049 -6.555 1.00 73.31 C ATOM 1270 CH2 TRP A 421 3.341 -7.906 -5.227 1.00 54.40 C ATOM 0 HA TRP A 421 7.603 -4.523 -9.505 1.00 23.51 H new ATOM 0 HB2 TRP A 421 7.384 -6.585 -8.238 1.00 4.22 H new ATOM 0 HB3 TRP A 421 8.515 -5.512 -7.437 1.00 4.22 H new ATOM 0 HD1 TRP A 421 7.821 -4.572 -5.025 1.00 34.11 H new ATOM 0 HE1 TRP A 421 6.061 -5.358 -3.317 1.00 43.32 H new ATOM 0 HE3 TRP A 421 5.060 -7.522 -8.101 1.00 1.12 H new ATOM 0 HZ2 TRP A 421 3.787 -7.010 -3.344 1.00 43.43 H new ATOM 0 HZ3 TRP A 421 3.105 -8.680 -7.201 1.00 73.31 H new ATOM 0 HH2 TRP A 421 2.472 -8.427 -4.853 1.00 54.40 H new ATOM 1281 N VAL A 422 5.289 -5.619 -9.836 1.00 1.14 N ATOM 1282 CA VAL A 422 3.960 -5.918 -10.324 1.00 35.43 C ATOM 1283 C VAL A 422 3.730 -7.411 -10.218 1.00 0.30 C ATOM 1284 O VAL A 422 4.690 -8.188 -10.111 1.00 43.01 O ATOM 1285 CB VAL A 422 3.729 -5.458 -11.802 1.00 72.14 C ATOM 1286 CG1 VAL A 422 3.906 -3.959 -11.949 1.00 74.32 C ATOM 1287 CG2 VAL A 422 4.645 -6.193 -12.766 1.00 54.31 C ATOM 0 H VAL A 422 6.007 -6.248 -10.195 1.00 1.14 H new ATOM 0 HA VAL A 422 3.252 -5.363 -9.709 1.00 35.43 H new ATOM 0 HB VAL A 422 2.699 -5.708 -12.055 1.00 72.14 H new ATOM 0 HG11 VAL A 422 3.739 -3.673 -12.987 1.00 74.32 H new ATOM 0 HG12 VAL A 422 3.189 -3.444 -11.310 1.00 74.32 H new ATOM 0 HG13 VAL A 422 4.918 -3.682 -11.655 1.00 74.32 H new ATOM 0 HG21 VAL A 422 4.456 -5.848 -13.782 1.00 54.31 H new ATOM 0 HG22 VAL A 422 5.684 -5.995 -12.503 1.00 54.31 H new ATOM 0 HG23 VAL A 422 4.453 -7.264 -12.705 1.00 54.31 H new ATOM 1297 N ILE A 423 2.492 -7.820 -10.233 1.00 11.22 N ATOM 1298 CA ILE A 423 2.191 -9.221 -10.145 1.00 32.35 C ATOM 1299 C ILE A 423 2.332 -9.837 -11.514 1.00 21.21 C ATOM 1300 O ILE A 423 1.866 -9.273 -12.505 1.00 53.33 O ATOM 1301 CB ILE A 423 0.752 -9.483 -9.573 1.00 62.25 C ATOM 1302 CG1 ILE A 423 0.663 -9.010 -8.113 1.00 22.45 C ATOM 1303 CG2 ILE A 423 0.355 -10.955 -9.693 1.00 61.00 C ATOM 1304 CD1 ILE A 423 -0.684 -9.239 -7.455 1.00 11.14 C ATOM 0 H ILE A 423 1.680 -7.207 -10.305 1.00 11.22 H new ATOM 0 HA ILE A 423 2.895 -9.681 -9.451 1.00 32.35 H new ATOM 0 HB ILE A 423 0.046 -8.907 -10.171 1.00 62.25 H new ATOM 0 HG12 ILE A 423 1.428 -9.524 -7.531 1.00 22.45 H new ATOM 0 HG13 ILE A 423 0.895 -7.946 -8.075 1.00 22.45 H new ATOM 0 HG21 ILE A 423 -0.647 -11.096 -9.287 1.00 61.00 H new ATOM 0 HG22 ILE A 423 0.366 -11.250 -10.742 1.00 61.00 H new ATOM 0 HG23 ILE A 423 1.062 -11.569 -9.136 1.00 61.00 H new ATOM 0 HD11 ILE A 423 -0.654 -8.875 -6.428 1.00 11.14 H new ATOM 0 HD12 ILE A 423 -1.455 -8.702 -8.008 1.00 11.14 H new ATOM 0 HD13 ILE A 423 -0.913 -10.305 -7.456 1.00 11.14 H new