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 -80:sc= -0.07 USER MOD Set 1.2: A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 359 SER OG : rot -89:sc= 1.26 USER MOD Set 2.2: A 365 MET CE :methyl 134:sc= -0.7 (180deg=-1.68) USER MOD Single : A 342 ASN : amide:sc= 0.566 K(o=0.57,f=-0.59) USER MOD Single : A 348 SER OG : rot 88:sc= 0.898 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 360 THR OG1 : rot -41:sc= 0.28 USER MOD Single : A 368 ASN : amide:sc= 0.974 K(o=0.97,f=-7.2!) USER MOD Single : A 371 TYR OH : rot 180:sc=-0.00414 USER MOD Single : A 372 ASN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 376 SER OG : rot 77:sc= 1.25 USER MOD Single : A 377 ASN : amide:sc= 0.899 K(o=0.9,f=0) USER MOD Single : A 380 TYR OH : rot 120:sc= 0.771 USER MOD Single : A 383 ASN : amide:sc= 0.0724 X(o=0.072,f=-0.047) 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=-0.3) USER MOD Single : A 389 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.09) USER MOD Single : A 395 ASN : amide:sc= 1.23 K(o=1.2,f=-0.044) USER MOD Single : A 396 SER OG : rot 73:sc= 0.354 USER MOD Single : A 399 HIS : no HD1:sc= -0.0587 X(o=-0.059,f=-0.059) USER MOD Single : A 400 ASN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -1.273 -14.977 11.435 1.00 3.01 N ATOM 2 CA ASN A 342 -0.809 -13.820 10.670 1.00 32.42 C ATOM 3 C ASN A 342 -1.206 -12.554 11.404 1.00 2.32 C ATOM 4 O ASN A 342 -2.277 -12.501 12.001 1.00 74.24 O ATOM 5 CB ASN A 342 -1.384 -13.840 9.240 1.00 62.40 C ATOM 6 CG ASN A 342 -0.998 -15.099 8.487 1.00 14.43 C ATOM 7 OD1 ASN A 342 0.065 -15.674 8.716 1.00 21.20 O ATOM 8 ND2 ASN A 342 -1.843 -15.537 7.591 1.00 71.30 N ATOM 0 HA ASN A 342 0.277 -13.855 10.579 1.00 32.42 H new ATOM 0 HB2 ASN A 342 -2.470 -13.764 9.286 1.00 62.40 H new ATOM 0 HB3 ASN A 342 -1.026 -12.967 8.694 1.00 62.40 H new ATOM 0 HD21 ASN A 342 -1.629 -16.380 7.057 1.00 71.30 H new ATOM 0 HD22 ASN A 342 -2.716 -15.036 7.426 1.00 71.30 H new ATOM 17 N PRO A 343 -0.355 -11.501 11.355 1.00 24.31 N ATOM 18 CA PRO A 343 -0.542 -10.257 12.152 1.00 55.11 C ATOM 19 C PRO A 343 -1.907 -9.545 11.964 1.00 41.14 C ATOM 20 O PRO A 343 -2.430 -8.944 12.898 1.00 43.43 O ATOM 21 CB PRO A 343 0.622 -9.355 11.682 1.00 24.32 C ATOM 22 CG PRO A 343 1.062 -9.940 10.381 1.00 30.22 C ATOM 23 CD PRO A 343 0.869 -11.420 10.524 1.00 14.43 C ATOM 0 HA PRO A 343 -0.540 -10.487 13.217 1.00 55.11 H new ATOM 0 HB2 PRO A 343 0.297 -8.322 11.560 1.00 24.32 H new ATOM 0 HB3 PRO A 343 1.435 -9.350 12.408 1.00 24.32 H new ATOM 0 HG2 PRO A 343 0.473 -9.545 9.553 1.00 30.22 H new ATOM 0 HG3 PRO A 343 2.104 -9.698 10.174 1.00 30.22 H new ATOM 0 HD2 PRO A 343 0.738 -11.908 9.558 1.00 14.43 H new ATOM 0 HD3 PRO A 343 1.721 -11.896 11.008 1.00 14.43 H new ATOM 31 N TRP A 344 -2.465 -9.615 10.780 1.00 74.31 N ATOM 32 CA TRP A 344 -3.743 -8.951 10.486 1.00 74.23 C ATOM 33 C TRP A 344 -4.948 -9.874 10.718 1.00 1.32 C ATOM 34 O TRP A 344 -6.054 -9.407 10.981 1.00 2.45 O ATOM 35 CB TRP A 344 -3.746 -8.472 9.029 1.00 52.03 C ATOM 36 CG TRP A 344 -3.382 -9.548 8.039 1.00 64.11 C ATOM 37 CD1 TRP A 344 -4.145 -10.608 7.648 1.00 35.03 C ATOM 38 CD2 TRP A 344 -2.173 -9.649 7.284 1.00 3.55 C ATOM 39 NE1 TRP A 344 -3.462 -11.367 6.765 1.00 32.15 N ATOM 40 CE2 TRP A 344 -2.267 -10.795 6.510 1.00 3.13 C ATOM 41 CE3 TRP A 344 -1.020 -8.890 7.194 1.00 44.23 C ATOM 42 CZ2 TRP A 344 -1.267 -11.193 5.669 1.00 43.23 C ATOM 43 CZ3 TRP A 344 -0.029 -9.290 6.347 1.00 52.12 C ATOM 44 CH2 TRP A 344 -0.164 -10.430 5.597 1.00 23.13 C ATOM 0 H TRP A 344 -2.064 -10.123 9.992 1.00 74.31 H new ATOM 0 HA TRP A 344 -3.837 -8.107 11.169 1.00 74.23 H new ATOM 0 HB2 TRP A 344 -4.735 -8.085 8.785 1.00 52.03 H new ATOM 0 HB3 TRP A 344 -3.045 -7.643 8.926 1.00 52.03 H new ATOM 0 HD1 TRP A 344 -5.148 -10.811 7.994 1.00 35.03 H new ATOM 0 HE1 TRP A 344 -3.797 -12.238 6.354 1.00 32.15 H new ATOM 0 HE3 TRP A 344 -0.906 -7.994 7.786 1.00 44.23 H new ATOM 0 HZ2 TRP A 344 -1.360 -12.093 5.080 1.00 43.23 H new ATOM 0 HZ3 TRP A 344 0.873 -8.702 6.266 1.00 52.12 H new ATOM 0 HH2 TRP A 344 0.636 -10.721 4.932 1.00 23.13 H new ATOM 55 N GLY A 345 -4.724 -11.169 10.606 1.00 13.50 N ATOM 56 CA GLY A 345 -5.798 -12.119 10.702 1.00 31.30 C ATOM 57 C GLY A 345 -5.409 -13.446 10.098 1.00 65.42 C ATOM 58 O GLY A 345 -4.266 -13.871 10.238 1.00 64.32 O ATOM 0 H GLY A 345 -3.804 -11.581 10.448 1.00 13.50 H new ATOM 0 HA2 GLY A 345 -6.071 -12.259 11.748 1.00 31.30 H new ATOM 0 HA3 GLY A 345 -6.679 -11.729 10.192 1.00 31.30 H new ATOM 62 N ALA A 346 -6.336 -14.087 9.403 1.00 24.33 N ATOM 63 CA ALA A 346 -6.071 -15.394 8.798 1.00 0.40 C ATOM 64 C ALA A 346 -5.767 -15.289 7.309 1.00 53.23 C ATOM 65 O ALA A 346 -5.338 -16.266 6.687 1.00 65.24 O ATOM 66 CB ALA A 346 -7.233 -16.339 9.023 1.00 64.41 C ATOM 0 H ALA A 346 -7.277 -13.729 9.241 1.00 24.33 H new ATOM 0 HA ALA A 346 -5.184 -15.794 9.290 1.00 0.40 H new ATOM 0 HB1 ALA A 346 -7.012 -17.303 8.564 1.00 64.41 H new ATOM 0 HB2 ALA A 346 -7.390 -16.474 10.093 1.00 64.41 H new ATOM 0 HB3 ALA A 346 -8.134 -15.921 8.574 1.00 64.41 H new ATOM 72 N GLU A 347 -6.004 -14.117 6.731 1.00 61.14 N ATOM 73 CA GLU A 347 -5.727 -13.882 5.314 1.00 0.22 C ATOM 74 C GLU A 347 -4.244 -14.043 5.043 1.00 32.33 C ATOM 75 O GLU A 347 -3.433 -13.951 5.972 1.00 54.25 O ATOM 76 CB GLU A 347 -6.215 -12.499 4.840 1.00 52.43 C ATOM 77 CG GLU A 347 -7.734 -12.277 4.902 1.00 62.41 C ATOM 78 CD GLU A 347 -8.303 -12.143 6.302 1.00 63.30 C ATOM 79 OE1 GLU A 347 -8.591 -13.164 6.963 1.00 0.43 O ATOM 80 OE2 GLU A 347 -8.505 -11.009 6.747 1.00 75.43 O ATOM 0 H GLU A 347 -6.389 -13.310 7.222 1.00 61.14 H new ATOM 0 HA GLU A 347 -6.284 -14.626 4.745 1.00 0.22 H new ATOM 0 HB2 GLU A 347 -5.729 -11.734 5.445 1.00 52.43 H new ATOM 0 HB3 GLU A 347 -5.885 -12.349 3.812 1.00 52.43 H new ATOM 0 HG2 GLU A 347 -7.978 -11.377 4.338 1.00 62.41 H new ATOM 0 HG3 GLU A 347 -8.229 -13.110 4.402 1.00 62.41 H new ATOM 87 N SER A 348 -3.872 -14.264 3.818 1.00 54.22 N ATOM 88 CA SER A 348 -2.494 -14.485 3.517 1.00 11.31 C ATOM 89 C SER A 348 -1.878 -13.182 3.148 1.00 14.34 C ATOM 90 O SER A 348 -2.588 -12.191 2.907 1.00 22.22 O ATOM 91 CB SER A 348 -2.357 -15.410 2.326 1.00 52.41 C ATOM 92 OG SER A 348 -3.203 -16.523 2.442 1.00 64.32 O ATOM 0 H SER A 348 -4.501 -14.296 3.016 1.00 54.22 H new ATOM 0 HA SER A 348 -2.008 -14.928 4.386 1.00 11.31 H new ATOM 0 HB2 SER A 348 -2.593 -14.866 1.412 1.00 52.41 H new ATOM 0 HB3 SER A 348 -1.323 -15.744 2.240 1.00 52.41 H new ATOM 0 HG SER A 348 -4.081 -16.308 2.062 1.00 64.32 H new ATOM 98 N TYR A 349 -0.576 -13.162 3.105 1.00 50.23 N ATOM 99 CA TYR A 349 0.136 -12.022 2.644 1.00 50.41 C ATOM 100 C TYR A 349 -0.273 -11.740 1.237 1.00 1.14 C ATOM 101 O TYR A 349 -0.751 -10.673 0.960 1.00 62.52 O ATOM 102 CB TYR A 349 1.659 -12.215 2.780 1.00 43.55 C ATOM 103 CG TYR A 349 2.145 -12.155 4.213 1.00 1.12 C ATOM 104 CD1 TYR A 349 1.874 -13.172 5.123 1.00 50.15 C ATOM 105 CD2 TYR A 349 2.855 -11.055 4.662 1.00 11.22 C ATOM 106 CE1 TYR A 349 2.291 -13.085 6.433 1.00 24.05 C ATOM 107 CE2 TYR A 349 3.280 -10.964 5.964 1.00 61.42 C ATOM 108 CZ TYR A 349 2.992 -11.977 6.847 1.00 24.44 C ATOM 109 OH TYR A 349 3.410 -11.879 8.153 1.00 65.33 O ATOM 0 H TYR A 349 0.016 -13.942 3.391 1.00 50.23 H new ATOM 0 HA TYR A 349 -0.113 -11.160 3.263 1.00 50.41 H new ATOM 0 HB2 TYR A 349 1.936 -13.177 2.350 1.00 43.55 H new ATOM 0 HB3 TYR A 349 2.169 -11.447 2.198 1.00 43.55 H new ATOM 0 HD1 TYR A 349 1.327 -14.044 4.797 1.00 50.15 H new ATOM 0 HD2 TYR A 349 3.079 -10.253 3.975 1.00 11.22 H new ATOM 0 HE1 TYR A 349 2.069 -13.880 7.129 1.00 24.05 H new ATOM 0 HE2 TYR A 349 3.838 -10.100 6.293 1.00 61.42 H new ATOM 0 HH TYR A 349 3.892 -11.035 8.280 1.00 65.33 H new ATOM 119 N SER A 350 -0.148 -12.734 0.369 1.00 61.40 N ATOM 120 CA SER A 350 -0.550 -12.582 -1.028 1.00 60.42 C ATOM 121 C SER A 350 -2.013 -12.077 -1.175 1.00 53.21 C ATOM 122 O SER A 350 -2.305 -11.327 -2.100 1.00 1.45 O ATOM 123 CB SER A 350 -0.360 -13.876 -1.798 1.00 60.15 C ATOM 124 OG SER A 350 0.997 -14.323 -1.767 1.00 65.12 O ATOM 0 H SER A 350 0.227 -13.653 0.604 1.00 61.40 H new ATOM 0 HA SER A 350 0.102 -11.820 -1.455 1.00 60.42 H new ATOM 0 HB2 SER A 350 -1.005 -14.647 -1.377 1.00 60.15 H new ATOM 0 HB3 SER A 350 -0.670 -13.731 -2.833 1.00 60.15 H new ATOM 0 HG SER A 350 1.078 -15.159 -2.272 1.00 65.12 H new ATOM 130 N ASP A 351 -2.915 -12.482 -0.247 1.00 71.34 N ATOM 131 CA ASP A 351 -4.318 -11.991 -0.265 1.00 50.21 C ATOM 132 C ASP A 351 -4.356 -10.497 -0.141 1.00 30.14 C ATOM 133 O ASP A 351 -4.973 -9.806 -0.955 1.00 20.41 O ATOM 134 CB ASP A 351 -5.179 -12.569 0.884 1.00 71.44 C ATOM 135 CG ASP A 351 -5.627 -13.985 0.695 1.00 43.32 C ATOM 136 OD1 ASP A 351 -6.632 -14.197 0.013 1.00 43.21 O ATOM 137 OD2 ASP A 351 -5.021 -14.892 1.270 1.00 10.31 O ATOM 0 H ASP A 351 -2.704 -13.134 0.509 1.00 71.34 H new ATOM 0 HA ASP A 351 -4.730 -12.324 -1.218 1.00 50.21 H new ATOM 0 HB2 ASP A 351 -4.609 -12.506 1.811 1.00 71.44 H new ATOM 0 HB3 ASP A 351 -6.060 -11.940 1.008 1.00 71.44 H new ATOM 142 N LEU A 352 -3.699 -9.993 0.877 1.00 73.53 N ATOM 143 CA LEU A 352 -3.688 -8.577 1.116 1.00 21.35 C ATOM 144 C LEU A 352 -2.752 -7.805 0.193 1.00 2.35 C ATOM 145 O LEU A 352 -3.049 -6.666 -0.177 1.00 25.52 O ATOM 146 CB LEU A 352 -3.401 -8.274 2.545 1.00 52.11 C ATOM 147 CG LEU A 352 -4.426 -8.727 3.569 1.00 50.11 C ATOM 148 CD1 LEU A 352 -4.018 -8.233 4.909 1.00 70.41 C ATOM 149 CD2 LEU A 352 -5.811 -8.225 3.215 1.00 5.24 C ATOM 0 H LEU A 352 -3.167 -10.545 1.550 1.00 73.53 H new ATOM 0 HA LEU A 352 -4.694 -8.230 0.879 1.00 21.35 H new ATOM 0 HB2 LEU A 352 -2.444 -8.728 2.801 1.00 52.11 H new ATOM 0 HB3 LEU A 352 -3.279 -7.195 2.644 1.00 52.11 H new ATOM 0 HG LEU A 352 -4.467 -9.816 3.576 1.00 50.11 H new ATOM 0 HD11 LEU A 352 -4.748 -8.553 5.653 1.00 70.41 H new ATOM 0 HD12 LEU A 352 -3.039 -8.639 5.164 1.00 70.41 H new ATOM 0 HD13 LEU A 352 -3.967 -7.144 4.895 1.00 70.41 H new ATOM 0 HD21 LEU A 352 -6.524 -8.565 3.966 1.00 5.24 H new ATOM 0 HD22 LEU A 352 -5.807 -7.135 3.186 1.00 5.24 H new ATOM 0 HD23 LEU A 352 -6.100 -8.613 2.238 1.00 5.24 H new ATOM 161 N ILE A 353 -1.630 -8.415 -0.178 1.00 61.23 N ATOM 162 CA ILE A 353 -0.675 -7.793 -1.103 1.00 10.23 C ATOM 163 C ILE A 353 -1.369 -7.495 -2.407 1.00 23.20 C ATOM 164 O ILE A 353 -1.177 -6.430 -2.995 1.00 11.11 O ATOM 165 CB ILE A 353 0.548 -8.713 -1.375 1.00 12.51 C ATOM 166 CG1 ILE A 353 1.348 -8.927 -0.091 1.00 43.52 C ATOM 167 CG2 ILE A 353 1.439 -8.115 -2.455 1.00 23.42 C ATOM 168 CD1 ILE A 353 2.393 -10.018 -0.185 1.00 43.02 C ATOM 0 H ILE A 353 -1.355 -9.342 0.146 1.00 61.23 H new ATOM 0 HA ILE A 353 -0.311 -6.875 -0.642 1.00 10.23 H new ATOM 0 HB ILE A 353 0.180 -9.678 -1.724 1.00 12.51 H new ATOM 0 HG12 ILE A 353 1.839 -7.992 0.178 1.00 43.52 H new ATOM 0 HG13 ILE A 353 0.658 -9.169 0.717 1.00 43.52 H new ATOM 0 HG21 ILE A 353 2.289 -8.774 -2.631 1.00 23.42 H new ATOM 0 HG22 ILE A 353 0.869 -8.005 -3.377 1.00 23.42 H new ATOM 0 HG23 ILE A 353 1.798 -7.138 -2.131 1.00 23.42 H new ATOM 0 HD11 ILE A 353 2.915 -10.105 0.768 1.00 43.02 H new ATOM 0 HD12 ILE A 353 1.909 -10.966 -0.422 1.00 43.02 H new ATOM 0 HD13 ILE A 353 3.108 -9.770 -0.969 1.00 43.02 H new ATOM 180 N ALA A 354 -2.198 -8.436 -2.842 1.00 61.14 N ATOM 181 CA ALA A 354 -2.962 -8.264 -4.045 1.00 52.44 C ATOM 182 C ALA A 354 -3.865 -7.057 -3.918 1.00 22.33 C ATOM 183 O ALA A 354 -3.858 -6.226 -4.782 1.00 11.22 O ATOM 184 CB ALA A 354 -3.768 -9.510 -4.373 1.00 41.01 C ATOM 0 H ALA A 354 -2.350 -9.326 -2.368 1.00 61.14 H new ATOM 0 HA ALA A 354 -2.268 -8.099 -4.869 1.00 52.44 H new ATOM 0 HB1 ALA A 354 -4.335 -9.346 -5.289 1.00 41.01 H new ATOM 0 HB2 ALA A 354 -3.093 -10.355 -4.510 1.00 41.01 H new ATOM 0 HB3 ALA A 354 -4.455 -9.724 -3.555 1.00 41.01 H new ATOM 190 N LYS A 355 -4.608 -6.947 -2.800 1.00 33.13 N ATOM 191 CA LYS A 355 -5.525 -5.799 -2.586 1.00 30.12 C ATOM 192 C LYS A 355 -4.774 -4.492 -2.659 1.00 14.21 C ATOM 193 O LYS A 355 -5.255 -3.518 -3.251 1.00 42.34 O ATOM 194 CB LYS A 355 -6.193 -5.827 -1.226 1.00 33.43 C ATOM 195 CG LYS A 355 -7.006 -7.042 -0.888 1.00 23.12 C ATOM 196 CD LYS A 355 -7.701 -6.840 0.449 1.00 12.20 C ATOM 197 CE LYS A 355 -8.740 -5.734 0.367 1.00 73.30 C ATOM 198 NZ LYS A 355 -9.434 -5.524 1.644 1.00 4.43 N ATOM 0 H LYS A 355 -4.596 -7.625 -2.038 1.00 33.13 H new ATOM 0 HA LYS A 355 -6.276 -5.882 -3.371 1.00 30.12 H new ATOM 0 HB2 LYS A 355 -5.419 -5.716 -0.467 1.00 33.43 H new ATOM 0 HB3 LYS A 355 -6.842 -4.954 -1.150 1.00 33.43 H new ATOM 0 HG2 LYS A 355 -7.745 -7.225 -1.668 1.00 23.12 H new ATOM 0 HG3 LYS A 355 -6.363 -7.921 -0.845 1.00 23.12 H new ATOM 0 HD2 LYS A 355 -8.179 -7.770 0.757 1.00 12.20 H new ATOM 0 HD3 LYS A 355 -6.963 -6.593 1.212 1.00 12.20 H new ATOM 0 HE2 LYS A 355 -8.256 -4.806 0.062 1.00 73.30 H new ATOM 0 HE3 LYS A 355 -9.470 -5.981 -0.404 1.00 73.30 H new ATOM 0 HZ1 LYS A 355 -10.132 -4.761 1.538 1.00 4.43 H new ATOM 0 HZ2 LYS A 355 -9.919 -6.400 1.924 1.00 4.43 H new ATOM 0 HZ3 LYS A 355 -8.743 -5.262 2.376 1.00 4.43 H new ATOM 212 N ALA A 356 -3.607 -4.473 -2.028 1.00 63.22 N ATOM 213 CA ALA A 356 -2.761 -3.302 -2.009 1.00 45.20 C ATOM 214 C ALA A 356 -2.375 -2.938 -3.404 1.00 24.32 C ATOM 215 O ALA A 356 -2.607 -1.820 -3.848 1.00 71.13 O ATOM 216 CB ALA A 356 -1.515 -3.562 -1.168 1.00 54.21 C ATOM 0 H ALA A 356 -3.227 -5.270 -1.518 1.00 63.22 H new ATOM 0 HA ALA A 356 -3.312 -2.474 -1.563 1.00 45.20 H new ATOM 0 HB1 ALA A 356 -0.887 -2.671 -1.163 1.00 54.21 H new ATOM 0 HB2 ALA A 356 -1.809 -3.804 -0.147 1.00 54.21 H new ATOM 0 HB3 ALA A 356 -0.957 -4.397 -1.593 1.00 54.21 H new ATOM 222 N LEU A 357 -1.854 -3.913 -4.103 1.00 43.52 N ATOM 223 CA LEU A 357 -1.382 -3.770 -5.462 1.00 13.43 C ATOM 224 C LEU A 357 -2.543 -3.273 -6.321 1.00 22.34 C ATOM 225 O LEU A 357 -2.397 -2.372 -7.140 1.00 53.24 O ATOM 226 CB LEU A 357 -0.952 -5.152 -5.926 1.00 34.05 C ATOM 227 CG LEU A 357 0.221 -5.267 -6.911 1.00 33.13 C ATOM 228 CD1 LEU A 357 -0.106 -4.654 -8.267 1.00 3.31 C ATOM 229 CD2 LEU A 357 1.482 -4.632 -6.330 1.00 3.32 C ATOM 0 H LEU A 357 -1.742 -4.857 -3.734 1.00 43.52 H new ATOM 0 HA LEU A 357 -0.553 -3.066 -5.537 1.00 13.43 H new ATOM 0 HB2 LEU A 357 -0.698 -5.734 -5.040 1.00 34.05 H new ATOM 0 HB3 LEU A 357 -1.817 -5.631 -6.385 1.00 34.05 H new ATOM 0 HG LEU A 357 0.402 -6.330 -7.068 1.00 33.13 H new ATOM 0 HD11 LEU A 357 0.753 -4.759 -8.930 1.00 3.31 H new ATOM 0 HD12 LEU A 357 -0.964 -5.167 -8.701 1.00 3.31 H new ATOM 0 HD13 LEU A 357 -0.341 -3.597 -8.141 1.00 3.31 H new ATOM 0 HD21 LEU A 357 2.299 -4.726 -7.045 1.00 3.32 H new ATOM 0 HD22 LEU A 357 1.297 -3.577 -6.126 1.00 3.32 H new ATOM 0 HD23 LEU A 357 1.751 -5.139 -5.403 1.00 3.32 H new ATOM 241 N LYS A 358 -3.706 -3.863 -6.075 1.00 55.25 N ATOM 242 CA LYS A 358 -4.944 -3.539 -6.755 1.00 34.11 C ATOM 243 C LYS A 358 -5.374 -2.074 -6.662 1.00 21.11 C ATOM 244 O LYS A 358 -6.212 -1.635 -7.448 1.00 33.33 O ATOM 245 CB LYS A 358 -6.090 -4.450 -6.330 1.00 41.44 C ATOM 246 CG LYS A 358 -5.943 -5.889 -6.781 1.00 11.41 C ATOM 247 CD LYS A 358 -7.130 -6.744 -6.375 1.00 53.13 C ATOM 248 CE LYS A 358 -8.419 -6.255 -7.016 1.00 31.12 C ATOM 249 NZ LYS A 358 -9.557 -7.142 -6.712 1.00 72.14 N ATOM 0 H LYS A 358 -3.812 -4.599 -5.377 1.00 55.25 H new ATOM 0 HA LYS A 358 -4.712 -3.716 -7.805 1.00 34.11 H new ATOM 0 HB2 LYS A 358 -6.172 -4.429 -5.243 1.00 41.44 H new ATOM 0 HB3 LYS A 358 -7.023 -4.050 -6.728 1.00 41.44 H new ATOM 0 HG2 LYS A 358 -5.831 -5.918 -7.865 1.00 11.41 H new ATOM 0 HG3 LYS A 358 -5.032 -6.310 -6.355 1.00 11.41 H new ATOM 0 HD2 LYS A 358 -6.949 -7.779 -6.665 1.00 53.13 H new ATOM 0 HD3 LYS A 358 -7.235 -6.730 -5.290 1.00 53.13 H new ATOM 0 HE2 LYS A 358 -8.640 -5.248 -6.663 1.00 31.12 H new ATOM 0 HE3 LYS A 358 -8.286 -6.193 -8.096 1.00 31.12 H new ATOM 0 HZ1 LYS A 358 -10.416 -6.773 -7.168 1.00 72.14 H new ATOM 0 HZ2 LYS A 358 -9.358 -8.098 -7.071 1.00 72.14 H new ATOM 0 HZ3 LYS A 358 -9.701 -7.182 -5.683 1.00 72.14 H new ATOM 263 N SER A 359 -4.818 -1.310 -5.728 1.00 61.21 N ATOM 264 CA SER A 359 -5.186 0.099 -5.617 1.00 62.33 C ATOM 265 C SER A 359 -4.602 0.920 -6.797 1.00 4.54 C ATOM 266 O SER A 359 -4.958 2.088 -7.006 1.00 10.43 O ATOM 267 CB SER A 359 -4.758 0.681 -4.248 1.00 10.40 C ATOM 268 OG SER A 359 -3.343 0.665 -4.068 1.00 43.24 O ATOM 0 H SER A 359 -4.126 -1.631 -5.051 1.00 61.21 H new ATOM 0 HA SER A 359 -6.272 0.171 -5.675 1.00 62.33 H new ATOM 0 HB2 SER A 359 -5.121 1.705 -4.162 1.00 10.40 H new ATOM 0 HB3 SER A 359 -5.229 0.108 -3.449 1.00 10.40 H new ATOM 0 HG SER A 359 -3.073 -0.189 -3.670 1.00 43.24 H new ATOM 274 N THR A 360 -3.721 0.283 -7.561 1.00 31.05 N ATOM 275 CA THR A 360 -3.058 0.877 -8.705 1.00 23.10 C ATOM 276 C THR A 360 -2.589 -0.294 -9.617 1.00 51.02 C ATOM 277 O THR A 360 -1.568 -0.221 -10.302 1.00 12.02 O ATOM 278 CB THR A 360 -1.836 1.710 -8.193 1.00 61.03 C ATOM 279 OG1 THR A 360 -1.187 2.415 -9.271 1.00 42.14 O ATOM 280 CG2 THR A 360 -0.842 0.813 -7.490 1.00 72.21 C ATOM 0 H THR A 360 -3.445 -0.684 -7.393 1.00 31.05 H new ATOM 0 HA THR A 360 -3.717 1.541 -9.264 1.00 23.10 H new ATOM 0 HB THR A 360 -2.215 2.448 -7.486 1.00 61.03 H new ATOM 0 HG1 THR A 360 -1.134 1.833 -10.057 1.00 42.14 H new ATOM 0 HG21 THR A 360 0.001 1.408 -7.140 1.00 72.21 H new ATOM 0 HG22 THR A 360 -1.324 0.332 -6.639 1.00 72.21 H new ATOM 0 HG23 THR A 360 -0.486 0.051 -8.183 1.00 72.21 H new ATOM 288 N PHE A 361 -3.435 -1.330 -9.675 1.00 1.42 N ATOM 289 CA PHE A 361 -3.127 -2.636 -10.315 1.00 72.33 C ATOM 290 C PHE A 361 -2.732 -2.489 -11.774 1.00 23.15 C ATOM 291 O PHE A 361 -2.013 -3.331 -12.337 1.00 24.22 O ATOM 292 CB PHE A 361 -4.365 -3.524 -10.274 1.00 2.14 C ATOM 293 CG PHE A 361 -4.057 -4.987 -10.415 1.00 2.54 C ATOM 294 CD1 PHE A 361 -3.621 -5.707 -9.320 1.00 71.12 C ATOM 295 CD2 PHE A 361 -4.204 -5.640 -11.624 1.00 21.21 C ATOM 296 CE1 PHE A 361 -3.335 -7.039 -9.413 1.00 74.34 C ATOM 297 CE2 PHE A 361 -3.916 -6.983 -11.730 1.00 54.51 C ATOM 298 CZ PHE A 361 -3.480 -7.686 -10.621 1.00 71.44 C ATOM 0 H PHE A 361 -4.372 -1.294 -9.274 1.00 1.42 H new ATOM 0 HA PHE A 361 -2.293 -3.067 -9.762 1.00 72.33 H new ATOM 0 HB2 PHE A 361 -4.889 -3.360 -9.332 1.00 2.14 H new ATOM 0 HB3 PHE A 361 -5.044 -3.225 -11.073 1.00 2.14 H new ATOM 0 HD1 PHE A 361 -3.504 -5.206 -8.370 1.00 71.12 H new ATOM 0 HD2 PHE A 361 -4.547 -5.094 -12.491 1.00 21.21 H new ATOM 0 HE1 PHE A 361 -2.997 -7.583 -8.544 1.00 74.34 H new ATOM 0 HE2 PHE A 361 -4.031 -7.487 -12.678 1.00 54.51 H new ATOM 0 HZ PHE A 361 -3.254 -8.739 -10.702 1.00 71.44 H new ATOM 308 N ASP A 362 -3.188 -1.435 -12.370 1.00 4.33 N ATOM 309 CA ASP A 362 -3.004 -1.228 -13.791 1.00 42.44 C ATOM 310 C ASP A 362 -1.681 -0.525 -14.071 1.00 33.25 C ATOM 311 O ASP A 362 -1.248 -0.406 -15.210 1.00 44.02 O ATOM 312 CB ASP A 362 -4.193 -0.452 -14.363 1.00 1.34 C ATOM 313 CG ASP A 362 -4.152 -0.320 -15.866 1.00 52.33 C ATOM 314 OD1 ASP A 362 -4.421 -1.320 -16.566 1.00 13.43 O ATOM 315 OD2 ASP A 362 -3.892 0.795 -16.372 1.00 2.33 O ATOM 0 H ASP A 362 -3.698 -0.689 -11.898 1.00 4.33 H new ATOM 0 HA ASP A 362 -2.962 -2.197 -14.289 1.00 42.44 H new ATOM 0 HB2 ASP A 362 -5.117 -0.952 -14.074 1.00 1.34 H new ATOM 0 HB3 ASP A 362 -4.217 0.543 -13.918 1.00 1.34 H new ATOM 320 N GLY A 363 -1.046 -0.074 -13.034 1.00 63.04 N ATOM 321 CA GLY A 363 0.224 0.553 -13.174 1.00 41.10 C ATOM 322 C GLY A 363 1.286 -0.279 -12.524 1.00 65.22 C ATOM 323 O GLY A 363 1.710 -1.306 -13.072 1.00 73.21 O ATOM 0 H GLY A 363 -1.392 -0.131 -12.076 1.00 63.04 H new ATOM 0 HA2 GLY A 363 0.455 0.691 -14.230 1.00 41.10 H new ATOM 0 HA3 GLY A 363 0.200 1.544 -12.721 1.00 41.10 H new ATOM 327 N ARG A 364 1.705 0.150 -11.373 1.00 63.41 N ATOM 328 CA ARG A 364 2.688 -0.524 -10.573 1.00 40.45 C ATOM 329 C ARG A 364 2.558 -0.048 -9.164 1.00 72.12 C ATOM 330 O ARG A 364 1.923 0.985 -8.942 1.00 14.24 O ATOM 331 CB ARG A 364 4.133 -0.373 -11.187 1.00 51.23 C ATOM 332 CG ARG A 364 4.611 1.051 -11.656 1.00 35.11 C ATOM 333 CD ARG A 364 5.082 2.013 -10.546 1.00 13.42 C ATOM 334 NE ARG A 364 4.041 2.434 -9.630 1.00 23.12 N ATOM 335 CZ ARG A 364 4.232 3.148 -8.515 1.00 44.35 C ATOM 336 NH1 ARG A 364 5.397 3.756 -8.287 1.00 73.15 N ATOM 337 NH2 ARG A 364 3.226 3.294 -7.666 1.00 43.54 N ATOM 0 H ARG A 364 1.361 1.011 -10.947 1.00 63.41 H new ATOM 0 HA ARG A 364 2.512 -1.600 -10.570 1.00 40.45 H new ATOM 0 HB2 ARG A 364 4.846 -0.733 -10.446 1.00 51.23 H new ATOM 0 HB3 ARG A 364 4.199 -1.043 -12.045 1.00 51.23 H new ATOM 0 HG2 ARG A 364 5.428 0.921 -12.366 1.00 35.11 H new ATOM 0 HG3 ARG A 364 3.792 1.526 -12.196 1.00 35.11 H new ATOM 0 HD2 ARG A 364 5.875 1.529 -9.976 1.00 13.42 H new ATOM 0 HD3 ARG A 364 5.518 2.897 -11.011 1.00 13.42 H new ATOM 0 HE ARG A 364 3.083 2.164 -9.854 1.00 23.12 H new ATOM 0 HH11 ARG A 364 6.154 3.679 -8.966 1.00 73.15 H new ATOM 0 HH12 ARG A 364 5.531 4.298 -7.433 1.00 73.15 H new ATOM 0 HH21 ARG A 364 2.323 2.865 -7.867 1.00 43.54 H new ATOM 0 HH22 ARG A 364 3.355 3.835 -6.811 1.00 43.54 H new ATOM 351 N MET A 365 3.096 -0.747 -8.209 1.00 62.51 N ATOM 352 CA MET A 365 3.018 -0.240 -6.865 1.00 31.23 C ATOM 353 C MET A 365 4.347 -0.337 -6.239 1.00 71.04 C ATOM 354 O MET A 365 5.064 -1.333 -6.425 1.00 12.22 O ATOM 355 CB MET A 365 1.999 -0.986 -6.008 1.00 21.30 C ATOM 356 CG MET A 365 1.580 -0.210 -4.780 1.00 1.50 C ATOM 357 SD MET A 365 0.322 -1.040 -3.833 1.00 43.34 S ATOM 358 CE MET A 365 -0.099 0.219 -2.645 1.00 71.34 C ATOM 0 H MET A 365 3.578 -1.639 -8.323 1.00 62.51 H new ATOM 0 HA MET A 365 2.687 0.797 -6.925 1.00 31.23 H new ATOM 0 HB2 MET A 365 1.118 -1.206 -6.610 1.00 21.30 H new ATOM 0 HB3 MET A 365 2.422 -1.942 -5.700 1.00 21.30 H new ATOM 0 HG2 MET A 365 2.452 -0.041 -4.148 1.00 1.50 H new ATOM 0 HG3 MET A 365 1.212 0.770 -5.084 1.00 1.50 H new ATOM 0 HE1 MET A 365 -1.183 0.298 -2.568 1.00 71.34 H new ATOM 0 HE2 MET A 365 0.316 -0.045 -1.672 1.00 71.34 H new ATOM 0 HE3 MET A 365 0.313 1.175 -2.967 1.00 71.34 H new ATOM 368 N ARG A 366 4.711 0.679 -5.529 1.00 0.24 N ATOM 369 CA ARG A 366 5.932 0.672 -4.843 1.00 44.34 C ATOM 370 C ARG A 366 5.794 -0.177 -3.632 1.00 43.25 C ATOM 371 O ARG A 366 4.751 -0.191 -2.982 1.00 23.13 O ATOM 372 CB ARG A 366 6.349 2.069 -4.512 1.00 43.23 C ATOM 373 CG ARG A 366 7.677 2.202 -3.843 1.00 11.21 C ATOM 374 CD ARG A 366 8.060 3.635 -3.805 1.00 52.20 C ATOM 375 NE ARG A 366 9.308 3.882 -3.088 1.00 40.44 N ATOM 376 CZ ARG A 366 10.020 5.010 -3.177 1.00 40.02 C ATOM 377 NH1 ARG A 366 9.667 5.959 -4.039 1.00 62.31 N ATOM 378 NH2 ARG A 366 11.092 5.171 -2.428 1.00 63.43 N ATOM 0 H ARG A 366 4.161 1.531 -5.417 1.00 0.24 H new ATOM 0 HA ARG A 366 6.718 0.250 -5.470 1.00 44.34 H new ATOM 0 HB2 ARG A 366 6.365 2.652 -5.433 1.00 43.23 H new ATOM 0 HB3 ARG A 366 5.591 2.513 -3.867 1.00 43.23 H new ATOM 0 HG2 ARG A 366 7.631 1.798 -2.832 1.00 11.21 H new ATOM 0 HG3 ARG A 366 8.429 1.626 -4.382 1.00 11.21 H new ATOM 0 HD2 ARG A 366 8.156 4.005 -4.826 1.00 52.20 H new ATOM 0 HD3 ARG A 366 7.260 4.205 -3.334 1.00 52.20 H new ATOM 0 HE ARG A 366 9.660 3.144 -2.478 1.00 40.44 H new ATOM 0 HH11 ARG A 366 8.850 5.828 -4.636 1.00 62.31 H new ATOM 0 HH12 ARG A 366 10.213 6.818 -4.104 1.00 62.31 H new ATOM 0 HH21 ARG A 366 11.378 4.436 -1.781 1.00 63.43 H new ATOM 0 HH22 ARG A 366 11.636 6.031 -2.495 1.00 63.43 H new ATOM 392 N LEU A 367 6.818 -0.881 -3.350 1.00 10.33 N ATOM 393 CA LEU A 367 6.876 -1.806 -2.246 1.00 4.23 C ATOM 394 C LEU A 367 6.666 -1.071 -0.923 1.00 70.40 C ATOM 395 O LEU A 367 6.096 -1.611 0.026 1.00 74.12 O ATOM 396 CB LEU A 367 8.208 -2.535 -2.342 1.00 60.13 C ATOM 397 CG LEU A 367 8.576 -3.581 -1.298 1.00 54.42 C ATOM 398 CD1 LEU A 367 7.453 -4.587 -1.070 1.00 41.33 C ATOM 399 CD2 LEU A 367 9.788 -4.306 -1.817 1.00 35.11 C ATOM 0 H LEU A 367 7.682 -0.842 -3.891 1.00 10.33 H new ATOM 0 HA LEU A 367 6.075 -2.544 -2.288 1.00 4.23 H new ATOM 0 HB2 LEU A 367 8.242 -3.022 -3.316 1.00 60.13 H new ATOM 0 HB3 LEU A 367 8.993 -1.779 -2.336 1.00 60.13 H new ATOM 0 HG LEU A 367 8.763 -3.088 -0.344 1.00 54.42 H new ATOM 0 HD11 LEU A 367 7.762 -5.313 -0.318 1.00 41.33 H new ATOM 0 HD12 LEU A 367 6.561 -4.064 -0.725 1.00 41.33 H new ATOM 0 HD13 LEU A 367 7.233 -5.104 -2.004 1.00 41.33 H new ATOM 0 HD21 LEU A 367 10.090 -5.069 -1.100 1.00 35.11 H new ATOM 0 HD22 LEU A 367 9.549 -4.778 -2.770 1.00 35.11 H new ATOM 0 HD23 LEU A 367 10.604 -3.597 -1.958 1.00 35.11 H new ATOM 411 N ASN A 368 7.083 0.179 -0.898 1.00 53.42 N ATOM 412 CA ASN A 368 6.901 1.041 0.255 1.00 53.11 C ATOM 413 C ASN A 368 5.418 1.384 0.396 1.00 20.13 C ATOM 414 O ASN A 368 4.870 1.388 1.496 1.00 33.42 O ATOM 415 CB ASN A 368 7.732 2.316 0.104 1.00 73.50 C ATOM 416 CG ASN A 368 9.206 2.035 -0.105 1.00 24.22 C ATOM 417 OD1 ASN A 368 9.653 1.873 -1.243 1.00 11.10 O ATOM 418 ND2 ASN A 368 9.965 1.991 0.959 1.00 12.33 N ATOM 0 H ASN A 368 7.560 0.628 -1.680 1.00 53.42 H new ATOM 0 HA ASN A 368 7.238 0.522 1.152 1.00 53.11 H new ATOM 0 HB2 ASN A 368 7.354 2.893 -0.740 1.00 73.50 H new ATOM 0 HB3 ASN A 368 7.607 2.933 0.994 1.00 73.50 H new ATOM 0 HD21 ASN A 368 10.966 1.818 0.865 1.00 12.33 H new ATOM 0 HD22 ASN A 368 9.556 2.130 1.883 1.00 12.33 H new ATOM 425 N GLU A 369 4.761 1.633 -0.747 1.00 13.33 N ATOM 426 CA GLU A 369 3.332 1.936 -0.780 1.00 52.31 C ATOM 427 C GLU A 369 2.538 0.733 -0.324 1.00 41.12 C ATOM 428 O GLU A 369 1.542 0.880 0.355 1.00 54.42 O ATOM 429 CB GLU A 369 2.878 2.348 -2.175 1.00 41.42 C ATOM 430 CG GLU A 369 3.494 3.624 -2.691 1.00 12.12 C ATOM 431 CD GLU A 369 3.031 3.939 -4.085 1.00 41.11 C ATOM 432 OE1 GLU A 369 3.562 3.354 -5.038 1.00 23.25 O ATOM 433 OE2 GLU A 369 2.103 4.761 -4.244 1.00 73.44 O ATOM 0 H GLU A 369 5.206 1.629 -1.665 1.00 13.33 H new ATOM 0 HA GLU A 369 3.155 2.773 -0.105 1.00 52.31 H new ATOM 0 HB2 GLU A 369 3.111 1.542 -2.870 1.00 41.42 H new ATOM 0 HB3 GLU A 369 1.794 2.461 -2.170 1.00 41.42 H new ATOM 0 HG2 GLU A 369 3.235 4.448 -2.026 1.00 12.12 H new ATOM 0 HG3 GLU A 369 4.580 3.535 -2.680 1.00 12.12 H new ATOM 440 N ILE A 370 2.973 -0.454 -0.743 1.00 25.32 N ATOM 441 CA ILE A 370 2.394 -1.711 -0.266 1.00 44.51 C ATOM 442 C ILE A 370 2.410 -1.768 1.256 1.00 74.33 C ATOM 443 O ILE A 370 1.379 -2.008 1.872 1.00 1.30 O ATOM 444 CB ILE A 370 3.145 -2.916 -0.878 1.00 22.52 C ATOM 445 CG1 ILE A 370 2.878 -2.942 -2.372 1.00 60.52 C ATOM 446 CG2 ILE A 370 2.777 -4.267 -0.215 1.00 65.03 C ATOM 447 CD1 ILE A 370 3.577 -4.028 -3.074 1.00 61.42 C ATOM 0 H ILE A 370 3.730 -0.573 -1.417 1.00 25.32 H new ATOM 0 HA ILE A 370 1.354 -1.760 -0.590 1.00 44.51 H new ATOM 0 HB ILE A 370 4.210 -2.786 -0.688 1.00 22.52 H new ATOM 0 HG12 ILE A 370 1.806 -3.043 -2.540 1.00 60.52 H new ATOM 0 HG13 ILE A 370 3.180 -1.988 -2.804 1.00 60.52 H new ATOM 0 HG21 ILE A 370 3.339 -5.071 -0.691 1.00 65.03 H new ATOM 0 HG22 ILE A 370 3.024 -4.231 0.846 1.00 65.03 H new ATOM 0 HG23 ILE A 370 1.709 -4.451 -0.333 1.00 65.03 H new ATOM 0 HD11 ILE A 370 3.340 -3.986 -4.137 1.00 61.42 H new ATOM 0 HD12 ILE A 370 4.653 -3.917 -2.937 1.00 61.42 H new ATOM 0 HD13 ILE A 370 3.257 -4.988 -2.669 1.00 61.42 H new ATOM 459 N TYR A 371 3.571 -1.503 1.856 1.00 23.01 N ATOM 460 CA TYR A 371 3.679 -1.454 3.327 1.00 14.31 C ATOM 461 C TYR A 371 2.706 -0.421 3.888 1.00 14.24 C ATOM 462 O TYR A 371 1.974 -0.672 4.852 1.00 10.24 O ATOM 463 CB TYR A 371 5.092 -1.076 3.787 1.00 72.33 C ATOM 464 CG TYR A 371 6.207 -2.009 3.377 1.00 35.40 C ATOM 465 CD1 TYR A 371 6.055 -3.389 3.418 1.00 64.14 C ATOM 466 CD2 TYR A 371 7.428 -1.500 2.964 1.00 10.32 C ATOM 467 CE1 TYR A 371 7.086 -4.223 3.062 1.00 13.21 C ATOM 468 CE2 TYR A 371 8.464 -2.330 2.612 1.00 61.51 C ATOM 469 CZ TYR A 371 8.290 -3.688 2.664 1.00 33.43 C ATOM 470 OH TYR A 371 9.327 -4.522 2.328 1.00 24.55 O ATOM 0 H TYR A 371 4.443 -1.320 1.360 1.00 23.01 H new ATOM 0 HA TYR A 371 3.443 -2.452 3.696 1.00 14.31 H new ATOM 0 HB2 TYR A 371 5.321 -0.082 3.404 1.00 72.33 H new ATOM 0 HB3 TYR A 371 5.089 -1.005 4.875 1.00 72.33 H new ATOM 0 HD1 TYR A 371 5.113 -3.812 3.734 1.00 64.14 H new ATOM 0 HD2 TYR A 371 7.568 -0.430 2.918 1.00 10.32 H new ATOM 0 HE1 TYR A 371 6.953 -5.294 3.094 1.00 13.21 H new ATOM 0 HE2 TYR A 371 9.410 -1.915 2.296 1.00 61.51 H new ATOM 0 HH TYR A 371 10.106 -3.987 2.068 1.00 24.55 H new ATOM 480 N ASN A 372 2.700 0.719 3.250 1.00 15.21 N ATOM 481 CA ASN A 372 1.859 1.841 3.617 1.00 73.51 C ATOM 482 C ASN A 372 0.371 1.489 3.528 1.00 32.22 C ATOM 483 O ASN A 372 -0.420 1.946 4.342 1.00 11.03 O ATOM 484 CB ASN A 372 2.202 3.047 2.736 1.00 43.35 C ATOM 485 CG ASN A 372 1.298 4.247 2.944 1.00 72.42 C ATOM 486 OD1 ASN A 372 1.543 5.086 3.803 1.00 73.21 O ATOM 487 ND2 ASN A 372 0.275 4.351 2.134 1.00 41.51 N ATOM 0 H ASN A 372 3.292 0.904 2.440 1.00 15.21 H new ATOM 0 HA ASN A 372 2.056 2.096 4.658 1.00 73.51 H new ATOM 0 HB2 ASN A 372 3.232 3.344 2.932 1.00 43.35 H new ATOM 0 HB3 ASN A 372 2.151 2.745 1.690 1.00 43.35 H new ATOM 0 HD21 ASN A 372 -0.352 5.152 2.205 1.00 41.51 H new ATOM 0 HD22 ASN A 372 0.105 3.631 1.432 1.00 41.51 H new ATOM 494 N TRP A 373 0.006 0.667 2.551 1.00 51.10 N ATOM 495 CA TRP A 373 -1.370 0.226 2.375 1.00 1.14 C ATOM 496 C TRP A 373 -1.837 -0.496 3.610 1.00 14.23 C ATOM 497 O TRP A 373 -2.908 -0.198 4.136 1.00 44.40 O ATOM 498 CB TRP A 373 -1.503 -0.688 1.154 1.00 11.24 C ATOM 499 CG TRP A 373 -2.915 -1.173 0.875 1.00 41.51 C ATOM 500 CD1 TRP A 373 -3.820 -0.608 0.025 1.00 73.13 C ATOM 501 CD2 TRP A 373 -3.568 -2.335 1.439 1.00 45.12 C ATOM 502 NE1 TRP A 373 -4.986 -1.339 0.021 1.00 22.21 N ATOM 503 CE2 TRP A 373 -4.854 -2.404 0.880 1.00 54.41 C ATOM 504 CE3 TRP A 373 -3.178 -3.316 2.357 1.00 13.21 C ATOM 505 CZ2 TRP A 373 -5.755 -3.420 1.210 1.00 10.22 C ATOM 506 CZ3 TRP A 373 -4.073 -4.319 2.683 1.00 52.43 C ATOM 507 CH2 TRP A 373 -5.346 -4.366 2.105 1.00 54.24 C ATOM 0 H TRP A 373 0.655 0.289 1.861 1.00 51.10 H new ATOM 0 HA TRP A 373 -1.993 1.105 2.211 1.00 1.14 H new ATOM 0 HB2 TRP A 373 -1.136 -0.155 0.277 1.00 11.24 H new ATOM 0 HB3 TRP A 373 -0.857 -1.555 1.294 1.00 11.24 H new ATOM 0 HD1 TRP A 373 -3.647 0.283 -0.560 1.00 73.13 H new ATOM 0 HE1 TRP A 373 -5.816 -1.125 -0.532 1.00 22.21 H new ATOM 0 HE3 TRP A 373 -2.195 -3.291 2.804 1.00 13.21 H new ATOM 0 HZ2 TRP A 373 -6.741 -3.455 0.772 1.00 10.22 H new ATOM 0 HZ3 TRP A 373 -3.784 -5.078 3.395 1.00 52.43 H new ATOM 0 HH2 TRP A 373 -6.019 -5.167 2.372 1.00 54.24 H new ATOM 518 N PHE A 374 -1.026 -1.439 4.081 1.00 44.23 N ATOM 519 CA PHE A 374 -1.349 -2.199 5.282 1.00 70.32 C ATOM 520 C PHE A 374 -1.457 -1.285 6.465 1.00 73.21 C ATOM 521 O PHE A 374 -2.400 -1.373 7.229 1.00 30.25 O ATOM 522 CB PHE A 374 -0.311 -3.287 5.575 1.00 35.42 C ATOM 523 CG PHE A 374 -0.252 -4.429 4.603 1.00 73.41 C ATOM 524 CD1 PHE A 374 0.448 -4.325 3.420 1.00 40.32 C ATOM 525 CD2 PHE A 374 -0.892 -5.617 4.887 1.00 43.43 C ATOM 526 CE1 PHE A 374 0.510 -5.380 2.536 1.00 70.32 C ATOM 527 CE2 PHE A 374 -0.831 -6.676 4.008 1.00 52.02 C ATOM 528 CZ PHE A 374 -0.130 -6.557 2.831 1.00 12.22 C ATOM 0 H PHE A 374 -0.139 -1.695 3.647 1.00 44.23 H new ATOM 0 HA PHE A 374 -2.307 -2.687 5.101 1.00 70.32 H new ATOM 0 HB2 PHE A 374 0.673 -2.820 5.614 1.00 35.42 H new ATOM 0 HB3 PHE A 374 -0.511 -3.692 6.567 1.00 35.42 H new ATOM 0 HD1 PHE A 374 0.956 -3.402 3.182 1.00 40.32 H new ATOM 0 HD2 PHE A 374 -1.447 -5.718 5.808 1.00 43.43 H new ATOM 0 HE1 PHE A 374 1.061 -5.281 1.613 1.00 70.32 H new ATOM 0 HE2 PHE A 374 -1.335 -7.602 4.244 1.00 52.02 H new ATOM 0 HZ PHE A 374 -0.083 -7.387 2.141 1.00 12.22 H new ATOM 538 N ALA A 375 -0.506 -0.390 6.588 1.00 2.42 N ATOM 539 CA ALA A 375 -0.473 0.537 7.712 1.00 73.43 C ATOM 540 C ALA A 375 -1.692 1.458 7.702 1.00 21.21 C ATOM 541 O ALA A 375 -2.259 1.778 8.742 1.00 21.22 O ATOM 542 CB ALA A 375 0.815 1.347 7.697 1.00 12.02 C ATOM 0 H ALA A 375 0.261 -0.278 5.925 1.00 2.42 H new ATOM 0 HA ALA A 375 -0.503 -0.046 8.632 1.00 73.43 H new ATOM 0 HB1 ALA A 375 0.823 2.034 8.543 1.00 12.02 H new ATOM 0 HB2 ALA A 375 1.669 0.674 7.769 1.00 12.02 H new ATOM 0 HB3 ALA A 375 0.877 1.914 6.768 1.00 12.02 H new ATOM 548 N SER A 376 -2.097 1.854 6.526 1.00 4.13 N ATOM 549 CA SER A 376 -3.215 2.745 6.362 1.00 71.41 C ATOM 550 C SER A 376 -4.564 2.026 6.495 1.00 62.01 C ATOM 551 O SER A 376 -5.484 2.541 7.135 1.00 63.44 O ATOM 552 CB SER A 376 -3.126 3.454 5.013 1.00 40.22 C ATOM 553 OG SER A 376 -1.887 4.140 4.887 1.00 2.32 O ATOM 0 H SER A 376 -1.659 1.567 5.650 1.00 4.13 H new ATOM 0 HA SER A 376 -3.163 3.479 7.166 1.00 71.41 H new ATOM 0 HB2 SER A 376 -3.229 2.727 4.207 1.00 40.22 H new ATOM 0 HB3 SER A 376 -3.950 4.160 4.912 1.00 40.22 H new ATOM 0 HG SER A 376 -1.177 3.497 4.680 1.00 2.32 H new ATOM 559 N ASN A 377 -4.682 0.840 5.915 1.00 10.34 N ATOM 560 CA ASN A 377 -5.982 0.164 5.861 1.00 43.05 C ATOM 561 C ASN A 377 -6.205 -0.796 6.993 1.00 33.31 C ATOM 562 O ASN A 377 -7.351 -1.081 7.348 1.00 42.21 O ATOM 563 CB ASN A 377 -6.200 -0.540 4.514 1.00 71.34 C ATOM 564 CG ASN A 377 -6.315 0.424 3.355 1.00 63.34 C ATOM 565 OD1 ASN A 377 -7.401 0.879 3.023 1.00 70.43 O ATOM 566 ND2 ASN A 377 -5.215 0.734 2.728 1.00 45.21 N ATOM 0 H ASN A 377 -3.913 0.329 5.481 1.00 10.34 H new ATOM 0 HA ASN A 377 -6.723 0.956 5.968 1.00 43.05 H new ATOM 0 HB2 ASN A 377 -5.372 -1.224 4.330 1.00 71.34 H new ATOM 0 HB3 ASN A 377 -7.106 -1.144 4.568 1.00 71.34 H new ATOM 0 HD21 ASN A 377 -5.243 1.374 1.934 1.00 45.21 H new ATOM 0 HD22 ASN A 377 -4.326 0.337 3.031 1.00 45.21 H new ATOM 573 N VAL A 378 -5.150 -1.291 7.562 1.00 14.43 N ATOM 574 CA VAL A 378 -5.259 -2.217 8.646 1.00 13.24 C ATOM 575 C VAL A 378 -4.827 -1.531 9.920 1.00 34.03 C ATOM 576 O VAL A 378 -3.674 -1.087 10.040 1.00 63.35 O ATOM 577 CB VAL A 378 -4.407 -3.484 8.413 1.00 71.21 C ATOM 578 CG1 VAL A 378 -4.550 -4.468 9.574 1.00 12.25 C ATOM 579 CG2 VAL A 378 -4.785 -4.150 7.100 1.00 45.54 C ATOM 0 H VAL A 378 -4.193 -1.066 7.290 1.00 14.43 H new ATOM 0 HA VAL A 378 -6.298 -2.537 8.720 1.00 13.24 H new ATOM 0 HB VAL A 378 -3.362 -3.178 8.359 1.00 71.21 H new ATOM 0 HG11 VAL A 378 -3.939 -5.350 9.381 1.00 12.25 H new ATOM 0 HG12 VAL A 378 -4.219 -3.992 10.497 1.00 12.25 H new ATOM 0 HG13 VAL A 378 -5.594 -4.765 9.673 1.00 12.25 H new ATOM 0 HG21 VAL A 378 -4.174 -5.041 6.954 1.00 45.54 H new ATOM 0 HG22 VAL A 378 -5.837 -4.433 7.125 1.00 45.54 H new ATOM 0 HG23 VAL A 378 -4.615 -3.455 6.278 1.00 45.54 H new ATOM 589 N PRO A 379 -5.734 -1.442 10.891 1.00 71.31 N ATOM 590 CA PRO A 379 -5.484 -0.746 12.150 1.00 64.44 C ATOM 591 C PRO A 379 -4.275 -1.297 12.904 1.00 44.14 C ATOM 592 O PRO A 379 -3.559 -0.543 13.583 1.00 32.30 O ATOM 593 CB PRO A 379 -6.774 -0.939 12.958 1.00 42.34 C ATOM 594 CG PRO A 379 -7.554 -2.001 12.254 1.00 42.40 C ATOM 595 CD PRO A 379 -7.089 -2.019 10.830 1.00 3.25 C ATOM 0 HA PRO A 379 -5.244 0.303 11.978 1.00 64.44 H new ATOM 0 HB2 PRO A 379 -6.550 -1.235 13.983 1.00 42.34 H new ATOM 0 HB3 PRO A 379 -7.342 -0.010 13.012 1.00 42.34 H new ATOM 0 HG2 PRO A 379 -7.394 -2.972 12.724 1.00 42.40 H new ATOM 0 HG3 PRO A 379 -8.623 -1.793 12.308 1.00 42.40 H new ATOM 0 HD2 PRO A 379 -7.074 -3.032 10.428 1.00 3.25 H new ATOM 0 HD3 PRO A 379 -7.745 -1.431 10.188 1.00 3.25 H new ATOM 603 N TYR A 380 -4.025 -2.593 12.758 1.00 30.10 N ATOM 604 CA TYR A 380 -2.918 -3.221 13.420 1.00 62.34 C ATOM 605 C TYR A 380 -1.574 -2.692 12.894 1.00 12.15 C ATOM 606 O TYR A 380 -0.643 -2.458 13.669 1.00 64.22 O ATOM 607 CB TYR A 380 -3.008 -4.735 13.251 1.00 22.13 C ATOM 608 CG TYR A 380 -1.910 -5.475 13.932 1.00 41.20 C ATOM 609 CD1 TYR A 380 -1.902 -5.604 15.303 1.00 20.51 C ATOM 610 CD2 TYR A 380 -0.877 -6.037 13.211 1.00 12.30 C ATOM 611 CE1 TYR A 380 -0.898 -6.268 15.943 1.00 53.14 C ATOM 612 CE2 TYR A 380 0.131 -6.710 13.839 1.00 33.44 C ATOM 613 CZ TYR A 380 0.116 -6.821 15.211 1.00 41.53 C ATOM 614 OH TYR A 380 1.124 -7.473 15.850 1.00 21.42 O ATOM 0 H TYR A 380 -4.585 -3.221 12.181 1.00 30.10 H new ATOM 0 HA TYR A 380 -2.969 -2.977 14.481 1.00 62.34 H new ATOM 0 HB2 TYR A 380 -3.965 -5.080 13.642 1.00 22.13 H new ATOM 0 HB3 TYR A 380 -2.993 -4.976 12.188 1.00 22.13 H new ATOM 0 HD1 TYR A 380 -2.705 -5.172 15.881 1.00 20.51 H new ATOM 0 HD2 TYR A 380 -0.866 -5.943 12.135 1.00 12.30 H new ATOM 0 HE1 TYR A 380 -0.903 -6.357 17.019 1.00 53.14 H new ATOM 0 HE2 TYR A 380 0.932 -7.151 13.265 1.00 33.44 H new ATOM 0 HH TYR A 380 1.155 -8.404 15.547 1.00 21.42 H new ATOM 624 N PHE A 381 -1.480 -2.504 11.587 1.00 53.23 N ATOM 625 CA PHE A 381 -0.243 -2.042 10.977 1.00 24.30 C ATOM 626 C PHE A 381 -0.003 -0.588 11.165 1.00 12.43 C ATOM 627 O PHE A 381 1.127 -0.162 11.202 1.00 50.34 O ATOM 628 CB PHE A 381 -0.086 -2.487 9.552 1.00 11.14 C ATOM 629 CG PHE A 381 -0.057 -3.951 9.472 1.00 31.44 C ATOM 630 CD1 PHE A 381 0.937 -4.672 10.105 1.00 74.54 C ATOM 631 CD2 PHE A 381 -1.028 -4.615 8.804 1.00 3.31 C ATOM 632 CE1 PHE A 381 0.942 -6.029 10.062 1.00 55.33 C ATOM 633 CE2 PHE A 381 -1.031 -5.960 8.747 1.00 5.42 C ATOM 634 CZ PHE A 381 -0.040 -6.678 9.384 1.00 33.43 C ATOM 0 H PHE A 381 -2.243 -2.664 10.930 1.00 53.23 H new ATOM 0 HA PHE A 381 0.555 -2.540 11.528 1.00 24.30 H new ATOM 0 HB2 PHE A 381 -0.909 -2.100 8.951 1.00 11.14 H new ATOM 0 HB3 PHE A 381 0.833 -2.076 9.135 1.00 11.14 H new ATOM 0 HD1 PHE A 381 1.718 -4.151 10.639 1.00 74.54 H new ATOM 0 HD2 PHE A 381 -1.811 -4.059 8.310 1.00 3.31 H new ATOM 0 HE1 PHE A 381 1.720 -6.587 10.562 1.00 55.33 H new ATOM 0 HE2 PHE A 381 -1.808 -6.476 8.203 1.00 5.42 H new ATOM 0 HZ PHE A 381 -0.045 -7.757 9.344 1.00 33.43 H new ATOM 644 N GLY A 382 -1.070 0.183 11.288 1.00 4.13 N ATOM 645 CA GLY A 382 -0.919 1.600 11.608 1.00 62.44 C ATOM 646 C GLY A 382 -0.238 1.769 12.959 1.00 4.21 C ATOM 647 O GLY A 382 0.377 2.792 13.245 1.00 45.32 O ATOM 0 H GLY A 382 -2.033 -0.135 11.175 1.00 4.13 H new ATOM 0 HA2 GLY A 382 -0.332 2.094 10.833 1.00 62.44 H new ATOM 0 HA3 GLY A 382 -1.896 2.082 11.623 1.00 62.44 H new ATOM 651 N ASN A 383 -0.347 0.731 13.768 1.00 1.30 N ATOM 652 CA ASN A 383 0.237 0.646 15.060 1.00 21.43 C ATOM 653 C ASN A 383 1.701 0.112 14.994 1.00 62.23 C ATOM 654 O ASN A 383 2.474 0.252 15.942 1.00 51.41 O ATOM 655 CB ASN A 383 -0.699 -0.219 15.921 1.00 64.41 C ATOM 656 CG ASN A 383 -0.018 -0.978 16.995 1.00 21.42 C ATOM 657 OD1 ASN A 383 0.171 -0.503 18.112 1.00 1.34 O ATOM 658 ND2 ASN A 383 0.324 -2.191 16.675 1.00 63.21 N ATOM 0 H ASN A 383 -0.873 -0.105 13.514 1.00 1.30 H new ATOM 0 HA ASN A 383 0.332 1.631 15.517 1.00 21.43 H new ATOM 0 HB2 ASN A 383 -1.455 0.424 16.371 1.00 64.41 H new ATOM 0 HB3 ASN A 383 -1.223 -0.922 15.273 1.00 64.41 H new ATOM 0 HD21 ASN A 383 0.771 -2.794 17.366 1.00 63.21 H new ATOM 0 HD22 ASN A 383 0.146 -2.540 15.733 1.00 63.21 H new ATOM 665 N ARG A 384 2.075 -0.458 13.855 1.00 72.23 N ATOM 666 CA ARG A 384 3.443 -0.929 13.626 1.00 42.10 C ATOM 667 C ARG A 384 4.062 -0.163 12.475 1.00 4.12 C ATOM 668 O ARG A 384 4.110 -0.661 11.350 1.00 22.10 O ATOM 669 CB ARG A 384 3.523 -2.417 13.272 1.00 5.23 C ATOM 670 CG ARG A 384 3.165 -3.428 14.339 1.00 73.12 C ATOM 671 CD ARG A 384 3.462 -4.804 13.770 1.00 71.03 C ATOM 672 NE ARG A 384 3.299 -5.907 14.706 1.00 64.32 N ATOM 673 CZ ARG A 384 4.205 -6.879 14.871 1.00 12.25 C ATOM 674 NH1 ARG A 384 5.422 -6.760 14.329 1.00 72.44 N ATOM 675 NH2 ARG A 384 3.916 -7.945 15.607 1.00 52.13 N ATOM 0 H ARG A 384 1.446 -0.608 13.066 1.00 72.23 H new ATOM 0 HA ARG A 384 3.974 -0.767 14.564 1.00 42.10 H new ATOM 0 HB2 ARG A 384 2.870 -2.591 12.417 1.00 5.23 H new ATOM 0 HB3 ARG A 384 4.541 -2.626 12.944 1.00 5.23 H new ATOM 0 HG2 ARG A 384 3.745 -3.253 15.245 1.00 73.12 H new ATOM 0 HG3 ARG A 384 2.113 -3.343 14.612 1.00 73.12 H new ATOM 0 HD2 ARG A 384 2.809 -4.975 12.914 1.00 71.03 H new ATOM 0 HD3 ARG A 384 4.486 -4.813 13.397 1.00 71.03 H new ATOM 0 HE ARG A 384 2.448 -5.941 15.267 1.00 64.32 H new ATOM 0 HH11 ARG A 384 5.661 -5.928 13.789 1.00 72.44 H new ATOM 0 HH12 ARG A 384 6.111 -7.501 14.455 1.00 72.44 H new ATOM 0 HH21 ARG A 384 3.001 -8.026 16.050 1.00 52.13 H new ATOM 0 HH22 ARG A 384 4.609 -8.683 15.730 1.00 52.13 H new ATOM 689 N THR A 385 4.498 1.031 12.725 1.00 33.32 N ATOM 690 CA THR A 385 5.033 1.844 11.651 1.00 14.12 C ATOM 691 C THR A 385 6.487 2.257 11.866 1.00 33.12 C ATOM 692 O THR A 385 7.140 2.762 10.931 1.00 41.21 O ATOM 693 CB THR A 385 4.147 3.076 11.355 1.00 62.55 C ATOM 694 OG1 THR A 385 3.898 3.817 12.562 1.00 25.01 O ATOM 695 CG2 THR A 385 2.831 2.657 10.727 1.00 74.24 C ATOM 0 H THR A 385 4.500 1.470 13.646 1.00 33.32 H new ATOM 0 HA THR A 385 5.020 1.199 10.772 1.00 14.12 H new ATOM 0 HB THR A 385 4.681 3.713 10.650 1.00 62.55 H new ATOM 0 HG1 THR A 385 3.337 4.595 12.359 1.00 25.01 H new ATOM 0 HG21 THR A 385 2.225 3.541 10.528 1.00 74.24 H new ATOM 0 HG22 THR A 385 3.025 2.132 9.792 1.00 74.24 H new ATOM 0 HG23 THR A 385 2.296 1.997 11.410 1.00 74.24 H new ATOM 703 N SER A 386 7.006 2.043 13.066 1.00 32.03 N ATOM 704 CA SER A 386 8.385 2.362 13.344 1.00 15.13 C ATOM 705 C SER A 386 9.266 1.299 12.670 1.00 60.32 C ATOM 706 O SER A 386 8.783 0.195 12.387 1.00 34.31 O ATOM 707 CB SER A 386 8.616 2.430 14.863 1.00 21.43 C ATOM 708 OG SER A 386 9.943 2.823 15.176 1.00 44.10 O ATOM 0 H SER A 386 6.491 1.652 13.854 1.00 32.03 H new ATOM 0 HA SER A 386 8.647 3.341 12.943 1.00 15.13 H new ATOM 0 HB2 SER A 386 7.914 3.136 15.306 1.00 21.43 H new ATOM 0 HB3 SER A 386 8.411 1.455 15.306 1.00 21.43 H new ATOM 0 HG SER A 386 10.053 2.857 16.149 1.00 44.10 H new ATOM 714 N GLN A 387 10.534 1.620 12.422 1.00 33.22 N ATOM 715 CA GLN A 387 11.431 0.746 11.648 1.00 24.10 C ATOM 716 C GLN A 387 11.498 -0.700 12.165 1.00 23.55 C ATOM 717 O GLN A 387 11.387 -1.639 11.375 1.00 14.15 O ATOM 718 CB GLN A 387 12.837 1.346 11.492 1.00 45.22 C ATOM 719 CG GLN A 387 12.863 2.682 10.756 1.00 41.33 C ATOM 720 CD GLN A 387 14.275 3.218 10.517 1.00 70.14 C ATOM 721 OE1 GLN A 387 15.208 2.961 11.292 1.00 11.44 O ATOM 722 NE2 GLN A 387 14.441 3.961 9.450 1.00 11.10 N ATOM 0 H GLN A 387 10.971 2.483 12.745 1.00 33.22 H new ATOM 0 HA GLN A 387 10.977 0.690 10.659 1.00 24.10 H new ATOM 0 HB2 GLN A 387 13.276 1.479 12.481 1.00 45.22 H new ATOM 0 HB3 GLN A 387 13.467 0.636 10.957 1.00 45.22 H new ATOM 0 HG2 GLN A 387 12.358 2.569 9.797 1.00 41.33 H new ATOM 0 HG3 GLN A 387 12.297 3.415 11.330 1.00 41.33 H new ATOM 0 HE21 GLN A 387 13.651 4.152 8.834 1.00 11.10 H new ATOM 0 HE22 GLN A 387 15.360 4.348 9.236 1.00 11.10 H new ATOM 731 N GLU A 388 11.646 -0.889 13.466 1.00 13.23 N ATOM 732 CA GLU A 388 11.736 -2.251 14.018 1.00 3.22 C ATOM 733 C GLU A 388 10.362 -2.807 14.325 1.00 73.34 C ATOM 734 O GLU A 388 10.197 -3.999 14.550 1.00 74.35 O ATOM 735 CB GLU A 388 12.600 -2.295 15.264 1.00 1.33 C ATOM 736 CG GLU A 388 14.014 -1.835 15.036 1.00 55.33 C ATOM 737 CD GLU A 388 14.723 -2.652 13.989 1.00 20.04 C ATOM 738 OE1 GLU A 388 15.077 -3.817 14.268 1.00 43.42 O ATOM 739 OE2 GLU A 388 14.922 -2.147 12.862 1.00 74.41 O ATOM 0 H GLU A 388 11.706 -0.140 14.156 1.00 13.23 H new ATOM 0 HA GLU A 388 12.205 -2.872 13.255 1.00 3.22 H new ATOM 0 HB2 GLU A 388 12.144 -1.672 16.034 1.00 1.33 H new ATOM 0 HB3 GLU A 388 12.617 -3.315 15.648 1.00 1.33 H new ATOM 0 HG2 GLU A 388 14.008 -0.788 14.733 1.00 55.33 H new ATOM 0 HG3 GLU A 388 14.567 -1.892 15.973 1.00 55.33 H new ATOM 746 N GLN A 389 9.394 -1.941 14.344 1.00 40.22 N ATOM 747 CA GLN A 389 8.010 -2.325 14.575 1.00 43.31 C ATOM 748 C GLN A 389 7.419 -2.962 13.339 1.00 24.42 C ATOM 749 O GLN A 389 6.563 -3.850 13.422 1.00 53.13 O ATOM 750 CB GLN A 389 7.196 -1.100 14.983 1.00 65.04 C ATOM 751 CG GLN A 389 7.539 -0.587 16.366 1.00 63.32 C ATOM 752 CD GLN A 389 7.075 -1.526 17.455 1.00 41.35 C ATOM 753 OE1 GLN A 389 7.703 -1.636 18.505 1.00 53.23 O ATOM 754 NE2 GLN A 389 5.935 -2.150 17.245 1.00 31.11 N ATOM 0 H GLN A 389 9.530 -0.940 14.200 1.00 40.22 H new ATOM 0 HA GLN A 389 7.979 -3.058 15.381 1.00 43.31 H new ATOM 0 HB2 GLN A 389 7.361 -0.304 14.257 1.00 65.04 H new ATOM 0 HB3 GLN A 389 6.135 -1.349 14.948 1.00 65.04 H new ATOM 0 HG2 GLN A 389 8.617 -0.449 16.443 1.00 63.32 H new ATOM 0 HG3 GLN A 389 7.081 0.391 16.513 1.00 63.32 H new ATOM 0 HE21 GLN A 389 5.445 -2.032 16.358 1.00 31.11 H new ATOM 0 HE22 GLN A 389 5.542 -2.752 17.969 1.00 31.11 H new ATOM 763 N SER A 390 7.871 -2.521 12.205 1.00 22.10 N ATOM 764 CA SER A 390 7.359 -2.995 10.966 1.00 11.33 C ATOM 765 C SER A 390 8.278 -4.030 10.316 1.00 31.05 C ATOM 766 O SER A 390 7.871 -4.731 9.388 1.00 23.01 O ATOM 767 CB SER A 390 7.161 -1.813 10.052 1.00 2.14 C ATOM 768 OG SER A 390 8.394 -1.130 9.860 1.00 20.51 O ATOM 0 H SER A 390 8.607 -1.820 12.118 1.00 22.10 H new ATOM 0 HA SER A 390 6.410 -3.499 11.149 1.00 11.33 H new ATOM 0 HB2 SER A 390 6.769 -2.148 9.092 1.00 2.14 H new ATOM 0 HB3 SER A 390 6.423 -1.134 10.478 1.00 2.14 H new ATOM 0 HG SER A 390 8.569 -0.549 10.629 1.00 20.51 H new ATOM 774 N ALA A 391 9.489 -4.134 10.838 1.00 70.43 N ATOM 775 CA ALA A 391 10.554 -4.976 10.280 1.00 42.24 C ATOM 776 C ALA A 391 10.108 -6.387 9.921 1.00 41.21 C ATOM 777 O ALA A 391 10.274 -6.824 8.780 1.00 72.35 O ATOM 778 CB ALA A 391 11.707 -5.050 11.246 1.00 62.02 C ATOM 0 H ALA A 391 9.773 -3.629 11.678 1.00 70.43 H new ATOM 0 HA ALA A 391 10.854 -4.499 9.347 1.00 42.24 H new ATOM 0 HB1 ALA A 391 12.494 -5.676 10.826 1.00 62.02 H new ATOM 0 HB2 ALA A 391 12.097 -4.048 11.424 1.00 62.02 H new ATOM 0 HB3 ALA A 391 11.366 -5.479 12.188 1.00 62.02 H new ATOM 784 N GLY A 392 9.533 -7.080 10.868 1.00 30.54 N ATOM 785 CA GLY A 392 9.175 -8.453 10.649 1.00 72.52 C ATOM 786 C GLY A 392 8.067 -8.639 9.665 1.00 55.30 C ATOM 787 O GLY A 392 8.168 -9.501 8.788 1.00 40.32 O ATOM 0 H GLY A 392 9.304 -6.717 11.793 1.00 30.54 H new ATOM 0 HA2 GLY A 392 10.053 -8.996 10.300 1.00 72.52 H new ATOM 0 HA3 GLY A 392 8.882 -8.898 11.600 1.00 72.52 H new ATOM 791 N TRP A 393 7.012 -7.835 9.759 1.00 20.41 N ATOM 792 CA TRP A 393 5.924 -8.020 8.837 1.00 3.44 C ATOM 793 C TRP A 393 6.335 -7.606 7.423 1.00 33.52 C ATOM 794 O TRP A 393 5.861 -8.188 6.441 1.00 41.23 O ATOM 795 CB TRP A 393 4.565 -7.430 9.313 1.00 24.32 C ATOM 796 CG TRP A 393 4.485 -5.961 9.434 1.00 44.04 C ATOM 797 CD1 TRP A 393 4.831 -5.215 10.492 1.00 1.10 C ATOM 798 CD2 TRP A 393 3.978 -5.069 8.453 1.00 63.40 C ATOM 799 NE1 TRP A 393 4.576 -3.886 10.231 1.00 13.11 N ATOM 800 CE2 TRP A 393 4.062 -3.773 8.977 1.00 75.25 C ATOM 801 CE3 TRP A 393 3.471 -5.252 7.181 1.00 60.22 C ATOM 802 CZ2 TRP A 393 3.652 -2.647 8.266 1.00 25.30 C ATOM 803 CZ3 TRP A 393 3.062 -4.144 6.464 1.00 62.44 C ATOM 804 CH2 TRP A 393 3.158 -2.854 7.007 1.00 60.40 C ATOM 0 H TRP A 393 6.898 -7.082 10.438 1.00 20.41 H new ATOM 0 HA TRP A 393 5.715 -9.089 8.806 1.00 3.44 H new ATOM 0 HB2 TRP A 393 3.791 -7.757 8.619 1.00 24.32 H new ATOM 0 HB3 TRP A 393 4.327 -7.865 10.284 1.00 24.32 H new ATOM 0 HD1 TRP A 393 5.248 -5.598 11.412 1.00 1.10 H new ATOM 0 HE1 TRP A 393 4.745 -3.113 10.874 1.00 13.11 H new ATOM 0 HE3 TRP A 393 3.396 -6.242 6.755 1.00 60.22 H new ATOM 0 HZ2 TRP A 393 3.721 -1.656 8.689 1.00 25.30 H new ATOM 0 HZ3 TRP A 393 2.662 -4.273 5.469 1.00 62.44 H new ATOM 0 HH2 TRP A 393 2.835 -2.007 6.419 1.00 60.40 H new ATOM 815 N LYS A 394 7.261 -6.617 7.316 1.00 33.12 N ATOM 816 CA LYS A 394 7.831 -6.275 6.030 1.00 21.45 C ATOM 817 C LYS A 394 8.616 -7.437 5.473 1.00 45.22 C ATOM 818 O LYS A 394 8.500 -7.759 4.283 1.00 50.21 O ATOM 819 CB LYS A 394 8.746 -5.079 6.118 1.00 43.22 C ATOM 820 CG LYS A 394 8.045 -3.805 6.430 1.00 40.32 C ATOM 821 CD LYS A 394 9.008 -2.668 6.425 1.00 73.43 C ATOM 822 CE LYS A 394 8.311 -1.390 6.722 1.00 53.32 C ATOM 823 NZ LYS A 394 9.228 -0.224 6.622 1.00 4.43 N ATOM 0 H LYS A 394 7.609 -6.065 8.100 1.00 33.12 H new ATOM 0 HA LYS A 394 6.996 -6.032 5.372 1.00 21.45 H new ATOM 0 HB2 LYS A 394 9.498 -5.265 6.884 1.00 43.22 H new ATOM 0 HB3 LYS A 394 9.275 -4.969 5.172 1.00 43.22 H new ATOM 0 HG2 LYS A 394 7.258 -3.627 5.697 1.00 40.32 H new ATOM 0 HG3 LYS A 394 7.563 -3.877 7.405 1.00 40.32 H new ATOM 0 HD2 LYS A 394 9.789 -2.843 7.165 1.00 73.43 H new ATOM 0 HD3 LYS A 394 9.498 -2.604 5.453 1.00 73.43 H new ATOM 0 HE2 LYS A 394 7.480 -1.259 6.028 1.00 53.32 H new ATOM 0 HE3 LYS A 394 7.885 -1.433 7.725 1.00 53.32 H new ATOM 0 HZ1 LYS A 394 8.704 0.649 6.836 1.00 4.43 H new ATOM 0 HZ2 LYS A 394 10.007 -0.336 7.302 1.00 4.43 H new ATOM 0 HZ3 LYS A 394 9.615 -0.168 5.658 1.00 4.43 H new ATOM 837 N ASN A 395 9.409 -8.088 6.332 1.00 41.45 N ATOM 838 CA ASN A 395 10.219 -9.214 5.888 1.00 61.21 C ATOM 839 C ASN A 395 9.385 -10.362 5.416 1.00 50.10 C ATOM 840 O ASN A 395 9.715 -10.999 4.427 1.00 44.10 O ATOM 841 CB ASN A 395 11.273 -9.662 6.911 1.00 13.35 C ATOM 842 CG ASN A 395 12.532 -8.806 6.866 1.00 41.42 C ATOM 843 OD1 ASN A 395 13.464 -9.102 6.108 1.00 74.24 O ATOM 844 ND2 ASN A 395 12.582 -7.767 7.648 1.00 55.20 N ATOM 0 H ASN A 395 9.503 -7.855 7.321 1.00 41.45 H new ATOM 0 HA ASN A 395 10.778 -8.839 5.031 1.00 61.21 H new ATOM 0 HB2 ASN A 395 10.844 -9.619 7.912 1.00 13.35 H new ATOM 0 HB3 ASN A 395 11.538 -10.702 6.722 1.00 13.35 H new ATOM 0 HD21 ASN A 395 13.408 -7.168 7.648 1.00 55.20 H new ATOM 0 HD22 ASN A 395 11.796 -7.552 8.261 1.00 55.20 H new ATOM 851 N SER A 396 8.296 -10.613 6.087 1.00 63.34 N ATOM 852 CA SER A 396 7.406 -11.662 5.685 1.00 11.04 C ATOM 853 C SER A 396 6.762 -11.358 4.304 1.00 4.35 C ATOM 854 O SER A 396 6.609 -12.261 3.472 1.00 52.11 O ATOM 855 CB SER A 396 6.378 -11.890 6.765 1.00 33.32 C ATOM 856 OG SER A 396 7.016 -12.201 7.993 1.00 1.21 O ATOM 0 H SER A 396 8.003 -10.101 6.919 1.00 63.34 H new ATOM 0 HA SER A 396 7.971 -12.585 5.557 1.00 11.04 H new ATOM 0 HB2 SER A 396 5.761 -10.999 6.883 1.00 33.32 H new ATOM 0 HB3 SER A 396 5.712 -12.703 6.477 1.00 33.32 H new ATOM 0 HG SER A 396 7.436 -11.394 8.357 1.00 1.21 H new ATOM 862 N ILE A 397 6.418 -10.084 4.056 1.00 43.22 N ATOM 863 CA ILE A 397 5.914 -9.658 2.735 1.00 24.41 C ATOM 864 C ILE A 397 6.996 -9.915 1.683 1.00 23.45 C ATOM 865 O ILE A 397 6.738 -10.513 0.639 1.00 62.13 O ATOM 866 CB ILE A 397 5.512 -8.137 2.728 1.00 13.21 C ATOM 867 CG1 ILE A 397 4.304 -7.893 3.642 1.00 43.14 C ATOM 868 CG2 ILE A 397 5.219 -7.632 1.310 1.00 4.30 C ATOM 869 CD1 ILE A 397 3.907 -6.441 3.777 1.00 32.12 C ATOM 0 H ILE A 397 6.478 -9.334 4.745 1.00 43.22 H new ATOM 0 HA ILE A 397 5.018 -10.235 2.506 1.00 24.41 H new ATOM 0 HB ILE A 397 6.363 -7.574 3.110 1.00 13.21 H new ATOM 0 HG12 ILE A 397 3.453 -8.455 3.257 1.00 43.14 H new ATOM 0 HG13 ILE A 397 4.527 -8.290 4.632 1.00 43.14 H new ATOM 0 HG21 ILE A 397 4.945 -6.578 1.349 1.00 4.30 H new ATOM 0 HG22 ILE A 397 6.107 -7.754 0.690 1.00 4.30 H new ATOM 0 HG23 ILE A 397 4.396 -8.205 0.882 1.00 4.30 H new ATOM 0 HD11 ILE A 397 3.046 -6.359 4.440 1.00 32.12 H new ATOM 0 HD12 ILE A 397 4.740 -5.873 4.192 1.00 32.12 H new ATOM 0 HD13 ILE A 397 3.649 -6.042 2.796 1.00 32.12 H new ATOM 881 N ARG A 398 8.214 -9.491 2.008 1.00 72.24 N ATOM 882 CA ARG A 398 9.383 -9.679 1.154 1.00 35.55 C ATOM 883 C ARG A 398 9.632 -11.143 0.853 1.00 53.44 C ATOM 884 O ARG A 398 9.991 -11.503 -0.268 1.00 74.53 O ATOM 885 CB ARG A 398 10.609 -9.059 1.811 1.00 75.23 C ATOM 886 CG ARG A 398 10.557 -7.557 1.866 1.00 4.02 C ATOM 887 CD ARG A 398 10.693 -6.953 0.490 1.00 74.33 C ATOM 888 NE ARG A 398 12.004 -7.245 -0.095 1.00 72.02 N ATOM 889 CZ ARG A 398 12.285 -7.283 -1.396 1.00 72.42 C ATOM 890 NH1 ARG A 398 11.313 -7.165 -2.299 1.00 2.42 N ATOM 891 NH2 ARG A 398 13.532 -7.456 -1.793 1.00 72.25 N ATOM 0 H ARG A 398 8.419 -9.003 2.880 1.00 72.24 H new ATOM 0 HA ARG A 398 9.187 -9.180 0.205 1.00 35.55 H new ATOM 0 HB2 ARG A 398 10.707 -9.450 2.824 1.00 75.23 H new ATOM 0 HB3 ARG A 398 11.500 -9.365 1.264 1.00 75.23 H new ATOM 0 HG2 ARG A 398 9.615 -7.240 2.313 1.00 4.02 H new ATOM 0 HG3 ARG A 398 11.356 -7.187 2.509 1.00 4.02 H new ATOM 0 HD2 ARG A 398 9.909 -7.342 -0.159 1.00 74.33 H new ATOM 0 HD3 ARG A 398 10.552 -5.874 0.549 1.00 74.33 H new ATOM 0 HE ARG A 398 12.769 -7.436 0.552 1.00 72.02 H new ATOM 0 HH11 ARG A 398 10.347 -7.045 -1.995 1.00 2.42 H new ATOM 0 HH12 ARG A 398 11.535 -7.195 -3.294 1.00 2.42 H new ATOM 0 HH21 ARG A 398 14.277 -7.560 -1.104 1.00 72.25 H new ATOM 0 HH22 ARG A 398 13.751 -7.486 -2.789 1.00 72.25 H new ATOM 905 N HIS A 399 9.425 -11.988 1.850 1.00 22.23 N ATOM 906 CA HIS A 399 9.621 -13.411 1.683 1.00 2.03 C ATOM 907 C HIS A 399 8.632 -13.977 0.695 1.00 54.43 C ATOM 908 O HIS A 399 9.032 -14.611 -0.256 1.00 21.13 O ATOM 909 CB HIS A 399 9.556 -14.182 3.012 1.00 63.24 C ATOM 910 CG HIS A 399 10.652 -13.841 3.989 1.00 42.34 C ATOM 911 ND1 HIS A 399 10.535 -14.036 5.343 1.00 14.33 N ATOM 912 CD2 HIS A 399 11.892 -13.330 3.798 1.00 12.13 C ATOM 913 CE1 HIS A 399 11.643 -13.660 5.939 1.00 55.42 C ATOM 914 NE2 HIS A 399 12.483 -13.228 5.026 1.00 0.41 N ATOM 0 H HIS A 399 9.121 -11.709 2.783 1.00 22.23 H new ATOM 0 HA HIS A 399 10.629 -13.541 1.290 1.00 2.03 H new ATOM 0 HB2 HIS A 399 8.593 -13.987 3.484 1.00 63.24 H new ATOM 0 HB3 HIS A 399 9.596 -15.250 2.800 1.00 63.24 H new ATOM 0 HD2 HIS A 399 12.332 -13.054 2.851 1.00 12.13 H new ATOM 0 HE1 HIS A 399 11.832 -13.699 7.002 1.00 55.42 H new ATOM 0 HE2 HIS A 399 13.423 -12.874 5.205 1.00 0.41 H new ATOM 923 N ASN A 400 7.341 -13.691 0.895 1.00 51.42 N ATOM 924 CA ASN A 400 6.274 -14.193 -0.010 1.00 45.35 C ATOM 925 C ASN A 400 6.506 -13.792 -1.451 1.00 41.53 C ATOM 926 O ASN A 400 6.219 -14.562 -2.376 1.00 1.53 O ATOM 927 CB ASN A 400 4.859 -13.776 0.450 1.00 33.30 C ATOM 928 CG ASN A 400 4.356 -14.572 1.641 1.00 53.35 C ATOM 929 OD1 ASN A 400 3.747 -15.619 1.479 1.00 20.42 O ATOM 930 ND2 ASN A 400 4.566 -14.075 2.831 1.00 72.50 N ATOM 0 H ASN A 400 7.000 -13.119 1.668 1.00 51.42 H new ATOM 0 HA ASN A 400 6.330 -15.280 0.047 1.00 45.35 H new ATOM 0 HB2 ASN A 400 4.865 -12.717 0.706 1.00 33.30 H new ATOM 0 HB3 ASN A 400 4.164 -13.899 -0.380 1.00 33.30 H new ATOM 0 HD21 ASN A 400 4.218 -14.563 3.656 1.00 72.50 H new ATOM 0 HD22 ASN A 400 5.078 -13.199 2.935 1.00 72.50 H new ATOM 937 N LEU A 401 7.045 -12.605 -1.634 1.00 63.22 N ATOM 938 CA LEU A 401 7.374 -12.104 -2.953 1.00 53.11 C ATOM 939 C LEU A 401 8.477 -12.944 -3.598 1.00 35.22 C ATOM 940 O LEU A 401 8.379 -13.335 -4.749 1.00 4.13 O ATOM 941 CB LEU A 401 7.785 -10.616 -2.863 1.00 65.44 C ATOM 942 CG LEU A 401 6.672 -9.656 -2.416 1.00 15.43 C ATOM 943 CD1 LEU A 401 7.190 -8.231 -2.219 1.00 3.51 C ATOM 944 CD2 LEU A 401 5.574 -9.654 -3.438 1.00 51.21 C ATOM 0 H LEU A 401 7.267 -11.961 -0.875 1.00 63.22 H new ATOM 0 HA LEU A 401 6.491 -12.182 -3.588 1.00 53.11 H new ATOM 0 HB2 LEU A 401 8.620 -10.528 -2.168 1.00 65.44 H new ATOM 0 HB3 LEU A 401 8.148 -10.296 -3.840 1.00 65.44 H new ATOM 0 HG LEU A 401 6.295 -10.007 -1.456 1.00 15.43 H new ATOM 0 HD11 LEU A 401 6.370 -7.586 -1.903 1.00 3.51 H new ATOM 0 HD12 LEU A 401 7.968 -8.229 -1.456 1.00 3.51 H new ATOM 0 HD13 LEU A 401 7.602 -7.861 -3.158 1.00 3.51 H new ATOM 0 HD21 LEU A 401 4.784 -8.973 -3.122 1.00 51.21 H new ATOM 0 HD22 LEU A 401 5.972 -9.327 -4.399 1.00 51.21 H new ATOM 0 HD23 LEU A 401 5.167 -10.660 -3.537 1.00 51.21 H new ATOM 1257 N TRP A 421 7.177 -3.200 -7.901 1.00 0.12 N ATOM 1258 CA TRP A 421 7.038 -4.453 -8.568 1.00 11.02 C ATOM 1259 C TRP A 421 5.584 -4.638 -8.995 1.00 21.32 C ATOM 1260 O TRP A 421 4.703 -3.872 -8.568 1.00 3.21 O ATOM 1261 CB TRP A 421 7.507 -5.604 -7.623 1.00 11.24 C ATOM 1262 CG TRP A 421 6.677 -5.765 -6.400 1.00 73.41 C ATOM 1263 CD1 TRP A 421 6.865 -5.172 -5.199 1.00 61.04 C ATOM 1264 CD2 TRP A 421 5.537 -6.596 -6.263 1.00 21.34 C ATOM 1265 NE1 TRP A 421 5.898 -5.568 -4.338 1.00 74.22 N ATOM 1266 CE2 TRP A 421 5.063 -6.440 -4.975 1.00 45.32 C ATOM 1267 CE3 TRP A 421 4.866 -7.443 -7.122 1.00 10.31 C ATOM 1268 CZ2 TRP A 421 3.940 -7.107 -4.516 1.00 72.11 C ATOM 1269 CZ3 TRP A 421 3.761 -8.106 -6.677 1.00 75.34 C ATOM 1270 CH2 TRP A 421 3.300 -7.936 -5.387 1.00 63.30 C ATOM 0 HA TRP A 421 7.662 -4.476 -9.461 1.00 11.02 H new ATOM 0 HB2 TRP A 421 7.500 -6.541 -8.179 1.00 11.24 H new ATOM 0 HB3 TRP A 421 8.539 -5.417 -7.326 1.00 11.24 H new ATOM 0 HD1 TRP A 421 7.665 -4.486 -4.963 1.00 61.04 H new ATOM 0 HE1 TRP A 421 5.808 -5.264 -3.369 1.00 74.22 H new ATOM 0 HE3 TRP A 421 5.213 -7.579 -8.136 1.00 10.31 H new ATOM 0 HZ2 TRP A 421 3.585 -6.975 -3.505 1.00 72.11 H new ATOM 0 HZ3 TRP A 421 3.238 -8.775 -7.344 1.00 75.34 H new ATOM 0 HH2 TRP A 421 2.418 -8.469 -5.063 1.00 63.30 H new ATOM 1281 N VAL A 422 5.340 -5.606 -9.848 1.00 42.44 N ATOM 1282 CA VAL A 422 3.995 -5.942 -10.293 1.00 61.33 C ATOM 1283 C VAL A 422 3.797 -7.439 -10.182 1.00 42.15 C ATOM 1284 O VAL A 422 4.782 -8.195 -10.119 1.00 4.14 O ATOM 1285 CB VAL A 422 3.676 -5.462 -11.750 1.00 50.31 C ATOM 1286 CG1 VAL A 422 3.688 -3.950 -11.841 1.00 75.10 C ATOM 1287 CG2 VAL A 422 4.647 -6.055 -12.759 1.00 61.13 C ATOM 0 H VAL A 422 6.069 -6.189 -10.259 1.00 42.44 H new ATOM 0 HA VAL A 422 3.300 -5.410 -9.643 1.00 61.33 H new ATOM 0 HB VAL A 422 2.675 -5.818 -11.993 1.00 50.31 H new ATOM 0 HG11 VAL A 422 3.464 -3.645 -12.863 1.00 75.10 H new ATOM 0 HG12 VAL A 422 2.937 -3.539 -11.167 1.00 75.10 H new ATOM 0 HG13 VAL A 422 4.672 -3.576 -11.559 1.00 75.10 H new ATOM 0 HG21 VAL A 422 4.395 -5.700 -13.758 1.00 61.13 H new ATOM 0 HG22 VAL A 422 5.663 -5.748 -12.510 1.00 61.13 H new ATOM 0 HG23 VAL A 422 4.580 -7.143 -12.733 1.00 61.13 H new ATOM 1297 N ILE A 423 2.567 -7.878 -10.143 1.00 62.24 N ATOM 1298 CA ILE A 423 2.306 -9.289 -10.011 1.00 24.21 C ATOM 1299 C ILE A 423 2.425 -9.901 -11.379 1.00 75.35 C ATOM 1300 O ILE A 423 1.898 -9.350 -12.357 1.00 65.12 O ATOM 1301 CB ILE A 423 0.881 -9.579 -9.443 1.00 4.14 C ATOM 1302 CG1 ILE A 423 0.679 -8.870 -8.101 1.00 25.45 C ATOM 1303 CG2 ILE A 423 0.672 -11.088 -9.267 1.00 52.53 C ATOM 1304 CD1 ILE A 423 -0.697 -9.056 -7.495 1.00 40.32 C ATOM 0 H ILE A 423 1.737 -7.288 -10.200 1.00 62.24 H new ATOM 0 HA ILE A 423 3.024 -9.714 -9.309 1.00 24.21 H new ATOM 0 HB ILE A 423 0.149 -9.198 -10.155 1.00 4.14 H new ATOM 0 HG12 ILE A 423 1.426 -9.235 -7.395 1.00 25.45 H new ATOM 0 HG13 ILE A 423 0.862 -7.804 -8.236 1.00 25.45 H new ATOM 0 HG21 ILE A 423 -0.326 -11.273 -8.870 1.00 52.53 H new ATOM 0 HG22 ILE A 423 0.777 -11.585 -10.231 1.00 52.53 H new ATOM 0 HG23 ILE A 423 1.416 -11.480 -8.574 1.00 52.53 H new ATOM 0 HD11 ILE A 423 -0.752 -8.521 -6.547 1.00 40.32 H new ATOM 0 HD12 ILE A 423 -1.451 -8.664 -8.178 1.00 40.32 H new ATOM 0 HD13 ILE A 423 -0.879 -10.117 -7.324 1.00 40.32 H new