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= 1.26 USER MOD Set 1.2: A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 342 ASN : amide:sc= -0.0952 X(o=-0.095,f=-0.095) USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 349 TYR OH : rot 180:sc= 0 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 355 LYS NZ :NH3+ -123:sc= 1.22 (180deg=0.153) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 SER OG : rot -68:sc= 1.26 USER MOD Single : A 360 THR OG1 : rot -45:sc= 0.208 USER MOD Single : A 365 MET CE :methyl 138:sc= -1.28 (180deg=-2.12!) USER MOD Single : A 368 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 371 TYR OH : rot 180:sc= -0.343 USER MOD Single : A 372 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 376 SER OG : rot 73:sc= 1.26 USER MOD Single : A 377 ASN : amide:sc= -0.987 K(o=-0.99,f=0) USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 385 THR OG1 : rot -96:sc= 0.101 USER MOD Single : A 386 SER OG : rot 180:sc=-5.06e-05 USER MOD Single : A 387 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 389 GLN : amide:sc= 0.272 X(o=0.27,f=-0.089) USER MOD Single : A 395 ASN : amide:sc=-0.00542 X(o=-0.0054,f=0) USER MOD Single : A 396 SER OG : rot 70:sc= 0.95 USER MOD Single : A 399 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 400 ASN : amide:sc=-0.00226 X(o=-0.0023,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -0.901 -15.283 10.847 1.00 54.32 N ATOM 2 CA ASN A 342 -0.711 -14.012 10.151 1.00 14.42 C ATOM 3 C ASN A 342 -0.933 -12.873 11.117 1.00 35.52 C ATOM 4 O ASN A 342 -1.834 -12.935 11.941 1.00 52.30 O ATOM 5 CB ASN A 342 -1.686 -13.865 8.995 1.00 22.22 C ATOM 6 CG ASN A 342 -1.640 -15.004 8.007 1.00 43.42 C ATOM 7 OD1 ASN A 342 -0.875 -14.977 7.047 1.00 24.44 O ATOM 8 ND2 ASN A 342 -2.472 -16.006 8.227 1.00 70.10 N ATOM 0 HA ASN A 342 0.305 -13.991 9.758 1.00 14.42 H new ATOM 0 HB2 ASN A 342 -2.697 -13.784 9.394 1.00 22.22 H new ATOM 0 HB3 ASN A 342 -1.474 -12.933 8.470 1.00 22.22 H new ATOM 0 HD21 ASN A 342 -2.496 -16.799 7.586 1.00 70.10 H new ATOM 0 HD22 ASN A 342 -3.090 -15.987 9.038 1.00 70.10 H new ATOM 17 N PRO A 343 -0.131 -11.801 11.019 1.00 11.15 N ATOM 18 CA PRO A 343 -0.222 -10.647 11.940 1.00 31.21 C ATOM 19 C PRO A 343 -1.578 -9.902 11.877 1.00 33.13 C ATOM 20 O PRO A 343 -2.104 -9.443 12.894 1.00 23.00 O ATOM 21 CB PRO A 343 0.922 -9.722 11.474 1.00 64.43 C ATOM 22 CG PRO A 343 1.249 -10.164 10.079 1.00 72.34 C ATOM 23 CD PRO A 343 0.953 -11.630 10.020 1.00 64.12 C ATOM 0 HA PRO A 343 -0.144 -10.970 12.978 1.00 31.21 H new ATOM 0 HB2 PRO A 343 0.614 -8.677 11.493 1.00 64.43 H new ATOM 0 HB3 PRO A 343 1.790 -9.811 12.128 1.00 64.43 H new ATOM 0 HG2 PRO A 343 0.652 -9.618 9.349 1.00 72.34 H new ATOM 0 HG3 PRO A 343 2.296 -9.969 9.845 1.00 72.34 H new ATOM 0 HD2 PRO A 343 0.634 -11.936 9.024 1.00 64.12 H new ATOM 0 HD3 PRO A 343 1.829 -12.228 10.271 1.00 64.12 H new ATOM 31 N TRP A 344 -2.126 -9.801 10.699 1.00 13.25 N ATOM 32 CA TRP A 344 -3.365 -9.070 10.463 1.00 41.33 C ATOM 33 C TRP A 344 -4.629 -9.893 10.791 1.00 14.21 C ATOM 34 O TRP A 344 -5.629 -9.335 11.255 1.00 14.54 O ATOM 35 CB TRP A 344 -3.397 -8.604 9.004 1.00 61.21 C ATOM 36 CG TRP A 344 -3.070 -9.709 8.039 1.00 2.11 C ATOM 37 CD1 TRP A 344 -3.867 -10.746 7.673 1.00 11.22 C ATOM 38 CD2 TRP A 344 -1.860 -9.872 7.295 1.00 12.55 C ATOM 39 NE1 TRP A 344 -3.209 -11.552 6.814 1.00 61.15 N ATOM 40 CE2 TRP A 344 -1.995 -11.035 6.550 1.00 31.21 C ATOM 41 CE3 TRP A 344 -0.678 -9.157 7.193 1.00 23.32 C ATOM 42 CZ2 TRP A 344 -1.008 -11.495 5.729 1.00 3.21 C ATOM 43 CZ3 TRP A 344 0.302 -9.621 6.358 1.00 51.44 C ATOM 44 CH2 TRP A 344 0.124 -10.780 5.642 1.00 74.24 C ATOM 0 H TRP A 344 -1.731 -10.224 9.859 1.00 13.25 H new ATOM 0 HA TRP A 344 -3.377 -8.215 11.139 1.00 41.33 H new ATOM 0 HB2 TRP A 344 -4.386 -8.207 8.775 1.00 61.21 H new ATOM 0 HB3 TRP A 344 -2.687 -7.788 8.871 1.00 61.21 H new ATOM 0 HD1 TRP A 344 -4.878 -10.902 8.019 1.00 11.22 H new ATOM 0 HE1 TRP A 344 -3.576 -12.420 6.424 1.00 61.15 H new ATOM 0 HE3 TRP A 344 -0.533 -8.250 7.762 1.00 23.32 H new ATOM 0 HZ2 TRP A 344 -1.134 -12.408 5.166 1.00 3.21 H new ATOM 0 HZ3 TRP A 344 1.226 -9.070 6.261 1.00 51.44 H new ATOM 0 HH2 TRP A 344 0.915 -11.124 4.993 1.00 74.24 H new ATOM 55 N GLY A 345 -4.579 -11.198 10.564 1.00 65.41 N ATOM 56 CA GLY A 345 -5.753 -12.026 10.744 1.00 51.22 C ATOM 57 C GLY A 345 -5.640 -13.357 10.023 1.00 21.22 C ATOM 58 O GLY A 345 -4.592 -13.994 10.061 1.00 70.35 O ATOM 0 H GLY A 345 -3.745 -11.698 10.258 1.00 65.41 H new ATOM 0 HA2 GLY A 345 -5.908 -12.205 11.808 1.00 51.22 H new ATOM 0 HA3 GLY A 345 -6.630 -11.492 10.379 1.00 51.22 H new ATOM 62 N ALA A 346 -6.707 -13.755 9.334 1.00 42.24 N ATOM 63 CA ALA A 346 -6.754 -15.061 8.667 1.00 44.12 C ATOM 64 C ALA A 346 -6.371 -14.988 7.188 1.00 3.24 C ATOM 65 O ALA A 346 -6.148 -16.029 6.547 1.00 55.43 O ATOM 66 CB ALA A 346 -8.125 -15.693 8.827 1.00 63.23 C ATOM 0 H ALA A 346 -7.552 -13.195 9.221 1.00 42.24 H new ATOM 0 HA ALA A 346 -6.008 -15.688 9.156 1.00 44.12 H new ATOM 0 HB1 ALA A 346 -8.140 -16.661 8.326 1.00 63.23 H new ATOM 0 HB2 ALA A 346 -8.341 -15.830 9.887 1.00 63.23 H new ATOM 0 HB3 ALA A 346 -8.879 -15.043 8.384 1.00 63.23 H new ATOM 72 N GLU A 347 -6.322 -13.778 6.648 1.00 53.34 N ATOM 73 CA GLU A 347 -5.889 -13.545 5.259 1.00 72.41 C ATOM 74 C GLU A 347 -4.463 -13.980 5.079 1.00 62.55 C ATOM 75 O GLU A 347 -3.723 -14.080 6.044 1.00 1.34 O ATOM 76 CB GLU A 347 -5.975 -12.060 4.933 1.00 22.15 C ATOM 77 CG GLU A 347 -7.367 -11.530 4.787 1.00 54.13 C ATOM 78 CD GLU A 347 -8.009 -11.967 3.501 1.00 4.44 C ATOM 79 OE1 GLU A 347 -8.538 -13.073 3.434 1.00 2.33 O ATOM 80 OE2 GLU A 347 -7.999 -11.181 2.529 1.00 13.12 O ATOM 0 H GLU A 347 -6.578 -12.928 7.150 1.00 53.34 H new ATOM 0 HA GLU A 347 -6.540 -14.118 4.598 1.00 72.41 H new ATOM 0 HB2 GLU A 347 -5.468 -11.500 5.719 1.00 22.15 H new ATOM 0 HB3 GLU A 347 -5.431 -11.873 4.007 1.00 22.15 H new ATOM 0 HG2 GLU A 347 -7.973 -11.869 5.627 1.00 54.13 H new ATOM 0 HG3 GLU A 347 -7.345 -10.441 4.829 1.00 54.13 H new ATOM 87 N SER A 348 -4.069 -14.204 3.877 1.00 22.32 N ATOM 88 CA SER A 348 -2.717 -14.561 3.625 1.00 12.14 C ATOM 89 C SER A 348 -2.017 -13.328 3.112 1.00 51.21 C ATOM 90 O SER A 348 -2.681 -12.331 2.757 1.00 11.12 O ATOM 91 CB SER A 348 -2.617 -15.705 2.604 1.00 40.55 C ATOM 92 OG SER A 348 -1.295 -16.216 2.531 1.00 41.21 O ATOM 0 H SER A 348 -4.664 -14.147 3.050 1.00 22.32 H new ATOM 0 HA SER A 348 -2.249 -14.921 4.542 1.00 12.14 H new ATOM 0 HB2 SER A 348 -3.304 -16.505 2.882 1.00 40.55 H new ATOM 0 HB3 SER A 348 -2.926 -15.347 1.622 1.00 40.55 H new ATOM 0 HG SER A 348 -1.261 -16.943 1.875 1.00 41.21 H new ATOM 98 N TYR A 349 -0.703 -13.374 3.087 1.00 15.34 N ATOM 99 CA TYR A 349 0.116 -12.280 2.634 1.00 12.31 C ATOM 100 C TYR A 349 -0.269 -11.909 1.253 1.00 72.51 C ATOM 101 O TYR A 349 -0.771 -10.828 1.030 1.00 2.03 O ATOM 102 CB TYR A 349 1.604 -12.660 2.669 1.00 45.31 C ATOM 103 CG TYR A 349 2.115 -13.019 4.030 1.00 2.33 C ATOM 104 CD1 TYR A 349 1.878 -14.275 4.581 1.00 1.02 C ATOM 105 CD2 TYR A 349 2.835 -12.105 4.768 1.00 61.35 C ATOM 106 CE1 TYR A 349 2.341 -14.606 5.831 1.00 61.51 C ATOM 107 CE2 TYR A 349 3.304 -12.426 6.026 1.00 42.51 C ATOM 108 CZ TYR A 349 3.052 -13.681 6.554 1.00 1.22 C ATOM 109 OH TYR A 349 3.511 -14.003 7.811 1.00 12.21 O ATOM 0 H TYR A 349 -0.168 -14.189 3.387 1.00 15.34 H new ATOM 0 HA TYR A 349 -0.041 -11.432 3.301 1.00 12.31 H new ATOM 0 HB2 TYR A 349 1.768 -13.503 1.998 1.00 45.31 H new ATOM 0 HB3 TYR A 349 2.189 -11.826 2.282 1.00 45.31 H new ATOM 0 HD1 TYR A 349 1.319 -15.004 4.014 1.00 1.02 H new ATOM 0 HD2 TYR A 349 3.035 -11.126 4.358 1.00 61.35 H new ATOM 0 HE1 TYR A 349 2.147 -15.586 6.242 1.00 61.51 H new ATOM 0 HE2 TYR A 349 3.865 -11.701 6.596 1.00 42.51 H new ATOM 0 HH TYR A 349 3.996 -13.239 8.188 1.00 12.21 H new ATOM 119 N SER A 350 -0.092 -12.841 0.343 1.00 1.41 N ATOM 120 CA SER A 350 -0.380 -12.616 -1.069 1.00 4.22 C ATOM 121 C SER A 350 -1.810 -12.067 -1.307 1.00 4.13 C ATOM 122 O SER A 350 -2.018 -11.266 -2.218 1.00 13.03 O ATOM 123 CB SER A 350 -0.154 -13.892 -1.848 1.00 42.54 C ATOM 124 OG SER A 350 1.179 -14.368 -1.666 1.00 60.15 O ATOM 0 H SER A 350 0.255 -13.777 0.553 1.00 1.41 H new ATOM 0 HA SER A 350 0.306 -11.848 -1.426 1.00 4.22 H new ATOM 0 HB2 SER A 350 -0.864 -14.652 -1.523 1.00 42.54 H new ATOM 0 HB3 SER A 350 -0.340 -13.714 -2.907 1.00 42.54 H new ATOM 0 HG SER A 350 1.304 -15.195 -2.177 1.00 60.15 H new ATOM 130 N ASP A 351 -2.770 -12.467 -0.462 1.00 1.11 N ATOM 131 CA ASP A 351 -4.143 -11.949 -0.551 1.00 2.31 C ATOM 132 C ASP A 351 -4.173 -10.476 -0.314 1.00 35.43 C ATOM 133 O ASP A 351 -4.728 -9.718 -1.113 1.00 45.24 O ATOM 134 CB ASP A 351 -5.089 -12.614 0.446 1.00 74.14 C ATOM 135 CG ASP A 351 -5.417 -14.021 0.100 1.00 74.24 C ATOM 136 OD1 ASP A 351 -6.410 -14.240 -0.619 1.00 13.54 O ATOM 137 OD2 ASP A 351 -4.718 -14.925 0.543 1.00 23.40 O ATOM 0 H ASP A 351 -2.623 -13.144 0.287 1.00 1.11 H new ATOM 0 HA ASP A 351 -4.483 -12.180 -1.560 1.00 2.31 H new ATOM 0 HB2 ASP A 351 -4.637 -12.587 1.438 1.00 74.14 H new ATOM 0 HB3 ASP A 351 -6.012 -12.036 0.501 1.00 74.14 H new ATOM 142 N LEU A 352 -3.585 -10.056 0.784 1.00 61.13 N ATOM 143 CA LEU A 352 -3.574 -8.662 1.120 1.00 75.44 C ATOM 144 C LEU A 352 -2.609 -7.871 0.257 1.00 34.24 C ATOM 145 O LEU A 352 -2.880 -6.719 -0.073 1.00 61.12 O ATOM 146 CB LEU A 352 -3.269 -8.451 2.572 1.00 72.24 C ATOM 147 CG LEU A 352 -4.274 -8.966 3.586 1.00 70.14 C ATOM 148 CD1 LEU A 352 -3.862 -8.521 4.941 1.00 21.04 C ATOM 149 CD2 LEU A 352 -5.669 -8.484 3.272 1.00 32.44 C ATOM 0 H LEU A 352 -3.111 -10.663 1.453 1.00 61.13 H new ATOM 0 HA LEU A 352 -4.578 -8.288 0.920 1.00 75.44 H new ATOM 0 HB2 LEU A 352 -2.308 -8.920 2.784 1.00 72.24 H new ATOM 0 HB3 LEU A 352 -3.145 -7.381 2.737 1.00 72.24 H new ATOM 0 HG LEU A 352 -4.291 -10.055 3.544 1.00 70.14 H new ATOM 0 HD11 LEU A 352 -4.578 -8.886 5.677 1.00 21.04 H new ATOM 0 HD12 LEU A 352 -2.873 -8.918 5.169 1.00 21.04 H new ATOM 0 HD13 LEU A 352 -3.832 -7.432 4.973 1.00 21.04 H new ATOM 0 HD21 LEU A 352 -6.364 -8.871 4.017 1.00 32.44 H new ATOM 0 HD22 LEU A 352 -5.690 -7.394 3.288 1.00 32.44 H new ATOM 0 HD23 LEU A 352 -5.963 -8.838 2.284 1.00 32.44 H new ATOM 161 N ILE A 353 -1.501 -8.488 -0.116 1.00 62.23 N ATOM 162 CA ILE A 353 -0.521 -7.841 -0.971 1.00 70.41 C ATOM 163 C ILE A 353 -1.179 -7.502 -2.311 1.00 1.24 C ATOM 164 O ILE A 353 -1.009 -6.408 -2.838 1.00 50.11 O ATOM 165 CB ILE A 353 0.717 -8.739 -1.224 1.00 71.11 C ATOM 166 CG1 ILE A 353 1.418 -9.126 0.099 1.00 34.13 C ATOM 167 CG2 ILE A 353 1.685 -8.018 -2.128 1.00 74.10 C ATOM 168 CD1 ILE A 353 2.529 -10.144 -0.064 1.00 41.43 C ATOM 0 H ILE A 353 -1.257 -9.439 0.161 1.00 62.23 H new ATOM 0 HA ILE A 353 -0.177 -6.939 -0.465 1.00 70.41 H new ATOM 0 HB ILE A 353 0.379 -9.659 -1.702 1.00 71.11 H new ATOM 0 HG12 ILE A 353 1.829 -8.226 0.557 1.00 34.13 H new ATOM 0 HG13 ILE A 353 0.674 -9.524 0.789 1.00 34.13 H new ATOM 0 HG21 ILE A 353 2.556 -8.649 -2.306 1.00 74.10 H new ATOM 0 HG22 ILE A 353 1.199 -7.794 -3.077 1.00 74.10 H new ATOM 0 HG23 ILE A 353 2.001 -7.088 -1.655 1.00 74.10 H new ATOM 0 HD11 ILE A 353 2.969 -10.361 0.909 1.00 41.43 H new ATOM 0 HD12 ILE A 353 2.123 -11.061 -0.491 1.00 41.43 H new ATOM 0 HD13 ILE A 353 3.295 -9.743 -0.727 1.00 41.43 H new ATOM 180 N ALA A 354 -1.955 -8.448 -2.840 1.00 44.33 N ATOM 181 CA ALA A 354 -2.678 -8.225 -4.076 1.00 15.35 C ATOM 182 C ALA A 354 -3.673 -7.094 -3.913 1.00 25.42 C ATOM 183 O ALA A 354 -3.808 -6.278 -4.793 1.00 2.11 O ATOM 184 CB ALA A 354 -3.373 -9.486 -4.552 1.00 41.23 C ATOM 0 H ALA A 354 -2.094 -9.371 -2.428 1.00 44.33 H new ATOM 0 HA ALA A 354 -1.952 -7.943 -4.838 1.00 15.35 H new ATOM 0 HB1 ALA A 354 -3.905 -9.280 -5.481 1.00 41.23 H new ATOM 0 HB2 ALA A 354 -2.632 -10.267 -4.723 1.00 41.23 H new ATOM 0 HB3 ALA A 354 -4.082 -9.819 -3.794 1.00 41.23 H new ATOM 190 N LYS A 355 -4.355 -7.039 -2.752 1.00 51.11 N ATOM 191 CA LYS A 355 -5.303 -5.945 -2.470 1.00 23.24 C ATOM 192 C LYS A 355 -4.607 -4.595 -2.516 1.00 35.43 C ATOM 193 O LYS A 355 -5.185 -3.603 -2.993 1.00 55.05 O ATOM 194 CB LYS A 355 -5.990 -6.090 -1.114 1.00 64.41 C ATOM 195 CG LYS A 355 -6.898 -7.243 -0.949 1.00 45.24 C ATOM 196 CD LYS A 355 -7.514 -7.154 0.415 1.00 42.31 C ATOM 197 CE LYS A 355 -8.668 -8.076 0.559 1.00 3.23 C ATOM 198 NZ LYS A 355 -8.304 -9.517 0.456 1.00 21.10 N ATOM 0 H LYS A 355 -4.269 -7.728 -2.005 1.00 51.11 H new ATOM 0 HA LYS A 355 -6.063 -6.005 -3.249 1.00 23.24 H new ATOM 0 HB2 LYS A 355 -5.218 -6.153 -0.347 1.00 64.41 H new ATOM 0 HB3 LYS A 355 -6.558 -5.180 -0.921 1.00 64.41 H new ATOM 0 HG2 LYS A 355 -7.671 -7.233 -1.718 1.00 45.24 H new ATOM 0 HG3 LYS A 355 -6.350 -8.179 -1.060 1.00 45.24 H new ATOM 0 HD2 LYS A 355 -6.763 -7.390 1.169 1.00 42.31 H new ATOM 0 HD3 LYS A 355 -7.841 -6.131 0.600 1.00 42.31 H new ATOM 0 HE2 LYS A 355 -9.144 -7.899 1.524 1.00 3.23 H new ATOM 0 HE3 LYS A 355 -9.406 -7.842 -0.208 1.00 3.23 H new ATOM 0 HZ1 LYS A 355 -8.854 -9.960 -0.308 1.00 21.10 H new ATOM 0 HZ2 LYS A 355 -7.289 -9.605 0.248 1.00 21.10 H new ATOM 0 HZ3 LYS A 355 -8.515 -9.994 1.356 1.00 21.10 H new ATOM 212 N ALA A 356 -3.377 -4.560 -2.014 1.00 71.34 N ATOM 213 CA ALA A 356 -2.578 -3.354 -2.039 1.00 34.42 C ATOM 214 C ALA A 356 -2.322 -2.960 -3.459 1.00 33.14 C ATOM 215 O ALA A 356 -2.633 -1.835 -3.864 1.00 71.20 O ATOM 216 CB ALA A 356 -1.263 -3.558 -1.291 1.00 55.12 C ATOM 0 H ALA A 356 -2.915 -5.361 -1.584 1.00 71.34 H new ATOM 0 HA ALA A 356 -3.123 -2.555 -1.537 1.00 34.42 H new ATOM 0 HB1 ALA A 356 -0.679 -2.638 -1.323 1.00 55.12 H new ATOM 0 HB2 ALA A 356 -1.471 -3.819 -0.253 1.00 55.12 H new ATOM 0 HB3 ALA A 356 -0.698 -4.363 -1.761 1.00 55.12 H new ATOM 222 N LEU A 357 -1.814 -3.908 -4.233 1.00 64.33 N ATOM 223 CA LEU A 357 -1.553 -3.706 -5.652 1.00 24.34 C ATOM 224 C LEU A 357 -2.811 -3.228 -6.367 1.00 1.15 C ATOM 225 O LEU A 357 -2.754 -2.321 -7.183 1.00 63.24 O ATOM 226 CB LEU A 357 -1.053 -5.015 -6.307 1.00 3.31 C ATOM 227 CG LEU A 357 0.455 -5.285 -6.297 1.00 21.20 C ATOM 228 CD1 LEU A 357 1.146 -4.315 -7.226 1.00 3.35 C ATOM 229 CD2 LEU A 357 1.020 -5.155 -4.902 1.00 52.35 C ATOM 0 H LEU A 357 -1.571 -4.839 -3.896 1.00 64.33 H new ATOM 0 HA LEU A 357 -0.779 -2.944 -5.744 1.00 24.34 H new ATOM 0 HB2 LEU A 357 -1.546 -5.849 -5.808 1.00 3.31 H new ATOM 0 HB3 LEU A 357 -1.388 -5.020 -7.344 1.00 3.31 H new ATOM 0 HG LEU A 357 0.628 -6.306 -6.638 1.00 21.20 H new ATOM 0 HD11 LEU A 357 2.219 -4.506 -7.219 1.00 3.35 H new ATOM 0 HD12 LEU A 357 0.761 -4.443 -8.238 1.00 3.35 H new ATOM 0 HD13 LEU A 357 0.958 -3.295 -6.892 1.00 3.35 H new ATOM 0 HD21 LEU A 357 2.092 -5.352 -4.924 1.00 52.35 H new ATOM 0 HD22 LEU A 357 0.844 -4.145 -4.531 1.00 52.35 H new ATOM 0 HD23 LEU A 357 0.532 -5.874 -4.244 1.00 52.35 H new ATOM 241 N LYS A 358 -3.948 -3.828 -6.013 1.00 31.52 N ATOM 242 CA LYS A 358 -5.239 -3.507 -6.588 1.00 4.21 C ATOM 243 C LYS A 358 -5.646 -2.032 -6.473 1.00 73.14 C ATOM 244 O LYS A 358 -6.536 -1.581 -7.205 1.00 41.30 O ATOM 245 CB LYS A 358 -6.341 -4.395 -6.020 1.00 22.01 C ATOM 246 CG LYS A 358 -6.254 -5.847 -6.451 1.00 73.24 C ATOM 247 CD LYS A 358 -7.391 -6.680 -5.876 1.00 21.24 C ATOM 248 CE LYS A 358 -8.752 -6.150 -6.306 1.00 65.43 C ATOM 249 NZ LYS A 358 -9.863 -6.977 -5.791 1.00 12.33 N ATOM 0 H LYS A 358 -3.990 -4.562 -5.306 1.00 31.52 H new ATOM 0 HA LYS A 358 -5.117 -3.706 -7.653 1.00 4.21 H new ATOM 0 HB2 LYS A 358 -6.305 -4.348 -4.932 1.00 22.01 H new ATOM 0 HB3 LYS A 358 -7.308 -3.995 -6.325 1.00 22.01 H new ATOM 0 HG2 LYS A 358 -6.277 -5.904 -7.539 1.00 73.24 H new ATOM 0 HG3 LYS A 358 -5.300 -6.264 -6.129 1.00 73.24 H new ATOM 0 HD2 LYS A 358 -7.284 -7.715 -6.201 1.00 21.24 H new ATOM 0 HD3 LYS A 358 -7.328 -6.680 -4.788 1.00 21.24 H new ATOM 0 HE2 LYS A 358 -8.869 -5.126 -5.951 1.00 65.43 H new ATOM 0 HE3 LYS A 358 -8.800 -6.118 -7.394 1.00 65.43 H new ATOM 0 HZ1 LYS A 358 -10.769 -6.578 -6.109 1.00 12.33 H new ATOM 0 HZ2 LYS A 358 -9.768 -7.949 -6.149 1.00 12.33 H new ATOM 0 HZ3 LYS A 358 -9.835 -6.987 -4.751 1.00 12.33 H new ATOM 263 N SER A 359 -5.020 -1.276 -5.575 1.00 54.41 N ATOM 264 CA SER A 359 -5.378 0.128 -5.426 1.00 64.43 C ATOM 265 C SER A 359 -4.765 1.014 -6.553 1.00 71.00 C ATOM 266 O SER A 359 -5.182 2.155 -6.757 1.00 71.03 O ATOM 267 CB SER A 359 -5.025 0.649 -4.011 1.00 13.41 C ATOM 268 OG SER A 359 -3.625 0.608 -3.745 1.00 42.14 O ATOM 0 H SER A 359 -4.280 -1.603 -4.954 1.00 54.41 H new ATOM 0 HA SER A 359 -6.460 0.202 -5.537 1.00 64.43 H new ATOM 0 HB2 SER A 359 -5.381 1.674 -3.906 1.00 13.41 H new ATOM 0 HB3 SER A 359 -5.550 0.051 -3.266 1.00 13.41 H new ATOM 0 HG SER A 359 -3.330 -0.325 -3.690 1.00 42.14 H new ATOM 274 N THR A 360 -3.808 0.466 -7.291 1.00 70.51 N ATOM 275 CA THR A 360 -3.135 1.188 -8.373 1.00 35.10 C ATOM 276 C THR A 360 -2.709 0.140 -9.434 1.00 23.10 C ATOM 277 O THR A 360 -1.754 0.327 -10.198 1.00 22.44 O ATOM 278 CB THR A 360 -1.875 1.925 -7.785 1.00 41.41 C ATOM 279 OG1 THR A 360 -1.258 2.789 -8.760 1.00 21.51 O ATOM 280 CG2 THR A 360 -0.847 0.919 -7.308 1.00 41.43 C ATOM 0 H THR A 360 -3.474 -0.489 -7.160 1.00 70.51 H new ATOM 0 HA THR A 360 -3.789 1.932 -8.828 1.00 35.10 H new ATOM 0 HB THR A 360 -2.223 2.531 -6.949 1.00 41.41 H new ATOM 0 HG1 THR A 360 -1.194 2.320 -9.618 1.00 21.51 H new ATOM 0 HG21 THR A 360 0.018 1.446 -6.904 1.00 41.43 H new ATOM 0 HG22 THR A 360 -1.285 0.292 -6.531 1.00 41.43 H new ATOM 0 HG23 THR A 360 -0.533 0.295 -8.145 1.00 41.43 H new ATOM 288 N PHE A 361 -3.517 -0.908 -9.519 1.00 54.20 N ATOM 289 CA PHE A 361 -3.233 -2.138 -10.284 1.00 61.21 C ATOM 290 C PHE A 361 -3.034 -1.868 -11.768 1.00 1.34 C ATOM 291 O PHE A 361 -2.417 -2.660 -12.478 1.00 71.11 O ATOM 292 CB PHE A 361 -4.406 -3.079 -10.105 1.00 0.22 C ATOM 293 CG PHE A 361 -4.093 -4.539 -10.294 1.00 62.25 C ATOM 294 CD1 PHE A 361 -3.473 -5.251 -9.276 1.00 72.50 C ATOM 295 CD2 PHE A 361 -4.441 -5.206 -11.455 1.00 53.24 C ATOM 296 CE1 PHE A 361 -3.205 -6.589 -9.407 1.00 23.05 C ATOM 297 CE2 PHE A 361 -4.170 -6.555 -11.600 1.00 44.42 C ATOM 298 CZ PHE A 361 -3.550 -7.249 -10.573 1.00 13.10 C ATOM 0 H PHE A 361 -4.420 -0.937 -9.046 1.00 54.20 H new ATOM 0 HA PHE A 361 -2.306 -2.570 -9.908 1.00 61.21 H new ATOM 0 HB2 PHE A 361 -4.814 -2.938 -9.104 1.00 0.22 H new ATOM 0 HB3 PHE A 361 -5.188 -2.797 -10.811 1.00 0.22 H new ATOM 0 HD1 PHE A 361 -3.197 -4.742 -8.365 1.00 72.50 H new ATOM 0 HD2 PHE A 361 -4.929 -4.669 -12.255 1.00 53.24 H new ATOM 0 HE1 PHE A 361 -2.726 -7.127 -8.602 1.00 23.05 H new ATOM 0 HE2 PHE A 361 -4.441 -7.066 -12.512 1.00 44.42 H new ATOM 0 HZ PHE A 361 -3.337 -8.302 -10.683 1.00 13.10 H new ATOM 308 N ASP A 362 -3.520 -0.743 -12.219 1.00 5.30 N ATOM 309 CA ASP A 362 -3.463 -0.395 -13.632 1.00 31.45 C ATOM 310 C ASP A 362 -2.083 0.132 -14.003 1.00 42.32 C ATOM 311 O ASP A 362 -1.753 0.265 -15.178 1.00 74.44 O ATOM 312 CB ASP A 362 -4.562 0.621 -14.006 1.00 64.14 C ATOM 313 CG ASP A 362 -4.413 1.960 -13.318 1.00 30.44 C ATOM 314 OD1 ASP A 362 -4.682 2.049 -12.095 1.00 52.10 O ATOM 315 OD2 ASP A 362 -4.047 2.947 -13.985 1.00 11.40 O ATOM 0 H ASP A 362 -3.966 -0.039 -11.630 1.00 5.30 H new ATOM 0 HA ASP A 362 -3.646 -1.303 -14.206 1.00 31.45 H new ATOM 0 HB2 ASP A 362 -4.551 0.774 -15.085 1.00 64.14 H new ATOM 0 HB3 ASP A 362 -5.535 0.199 -13.754 1.00 64.14 H new ATOM 320 N GLY A 363 -1.276 0.395 -13.010 1.00 74.13 N ATOM 321 CA GLY A 363 0.056 0.842 -13.256 1.00 12.43 C ATOM 322 C GLY A 363 1.063 -0.019 -12.547 1.00 54.22 C ATOM 323 O GLY A 363 1.384 -1.126 -13.006 1.00 13.51 O ATOM 0 H GLY A 363 -1.524 0.305 -12.025 1.00 74.13 H new ATOM 0 HA2 GLY A 363 0.254 0.828 -14.328 1.00 12.43 H new ATOM 0 HA3 GLY A 363 0.162 1.875 -12.925 1.00 12.43 H new ATOM 327 N ARG A 364 1.524 0.451 -11.415 1.00 1.34 N ATOM 328 CA ARG A 364 2.530 -0.220 -10.640 1.00 12.22 C ATOM 329 C ARG A 364 2.469 0.264 -9.221 1.00 33.50 C ATOM 330 O ARG A 364 1.992 1.374 -8.968 1.00 11.32 O ATOM 331 CB ARG A 364 3.957 -0.017 -11.269 1.00 1.05 C ATOM 332 CG ARG A 364 4.391 1.448 -11.567 1.00 55.52 C ATOM 333 CD ARG A 364 4.563 2.309 -10.313 1.00 74.31 C ATOM 334 NE ARG A 364 4.939 3.686 -10.627 1.00 53.22 N ATOM 335 CZ ARG A 364 4.794 4.731 -9.803 1.00 4.43 C ATOM 336 NH1 ARG A 364 4.243 4.565 -8.603 1.00 44.25 N ATOM 337 NH2 ARG A 364 5.193 5.946 -10.184 1.00 11.43 N ATOM 0 H ARG A 364 1.203 1.326 -11.001 1.00 1.34 H new ATOM 0 HA ARG A 364 2.336 -1.293 -10.647 1.00 12.22 H new ATOM 0 HB2 ARG A 364 4.691 -0.458 -10.595 1.00 1.05 H new ATOM 0 HB3 ARG A 364 4.001 -0.580 -12.201 1.00 1.05 H new ATOM 0 HG2 ARG A 364 5.331 1.433 -12.118 1.00 55.52 H new ATOM 0 HG3 ARG A 364 3.648 1.912 -12.216 1.00 55.52 H new ATOM 0 HD2 ARG A 364 3.632 2.310 -9.746 1.00 74.31 H new ATOM 0 HD3 ARG A 364 5.325 1.865 -9.673 1.00 74.31 H new ATOM 0 HE ARG A 364 5.344 3.865 -11.546 1.00 53.22 H new ATOM 0 HH11 ARG A 364 3.930 3.640 -8.309 1.00 44.25 H new ATOM 0 HH12 ARG A 364 4.134 5.363 -7.977 1.00 44.25 H new ATOM 0 HH21 ARG A 364 5.610 6.080 -11.105 1.00 11.43 H new ATOM 0 HH22 ARG A 364 5.081 6.740 -9.554 1.00 11.43 H new ATOM 351 N MET A 365 2.930 -0.527 -8.301 1.00 43.30 N ATOM 352 CA MET A 365 2.952 -0.089 -6.944 1.00 71.42 C ATOM 353 C MET A 365 4.358 -0.175 -6.460 1.00 14.20 C ATOM 354 O MET A 365 5.080 -1.123 -6.801 1.00 3.22 O ATOM 355 CB MET A 365 2.027 -0.932 -6.060 1.00 44.30 C ATOM 356 CG MET A 365 1.648 -0.257 -4.770 1.00 24.43 C ATOM 357 SD MET A 365 0.394 -1.132 -3.860 1.00 25.20 S ATOM 358 CE MET A 365 0.040 0.058 -2.583 1.00 11.21 C ATOM 0 H MET A 365 3.291 -1.467 -8.464 1.00 43.30 H new ATOM 0 HA MET A 365 2.588 0.937 -6.888 1.00 71.42 H new ATOM 0 HB2 MET A 365 1.120 -1.167 -6.617 1.00 44.30 H new ATOM 0 HB3 MET A 365 2.517 -1.879 -5.835 1.00 44.30 H new ATOM 0 HG2 MET A 365 2.536 -0.156 -4.146 1.00 24.43 H new ATOM 0 HG3 MET A 365 1.294 0.751 -4.986 1.00 24.43 H new ATOM 0 HE1 MET A 365 -1.037 0.109 -2.422 1.00 11.21 H new ATOM 0 HE2 MET A 365 0.532 -0.244 -1.658 1.00 11.21 H new ATOM 0 HE3 MET A 365 0.408 1.038 -2.887 1.00 11.21 H new ATOM 368 N ARG A 366 4.783 0.810 -5.725 1.00 13.13 N ATOM 369 CA ARG A 366 6.113 0.775 -5.172 1.00 71.33 C ATOM 370 C ARG A 366 6.065 -0.182 -4.005 1.00 43.13 C ATOM 371 O ARG A 366 5.045 -0.249 -3.305 1.00 33.02 O ATOM 372 CB ARG A 366 6.562 2.150 -4.658 1.00 25.11 C ATOM 373 CG ARG A 366 6.536 3.310 -5.660 1.00 52.11 C ATOM 374 CD ARG A 366 7.533 3.150 -6.803 1.00 14.53 C ATOM 375 NE ARG A 366 7.532 4.349 -7.670 1.00 45.41 N ATOM 376 CZ ARG A 366 8.494 4.673 -8.561 1.00 23.20 C ATOM 377 NH1 ARG A 366 9.533 3.891 -8.737 1.00 11.52 N ATOM 378 NH2 ARG A 366 8.412 5.793 -9.260 1.00 73.05 N ATOM 0 H ARG A 366 4.238 1.641 -5.494 1.00 13.13 H new ATOM 0 HA ARG A 366 6.819 0.470 -5.944 1.00 71.33 H new ATOM 0 HB2 ARG A 366 5.929 2.419 -3.812 1.00 25.11 H new ATOM 0 HB3 ARG A 366 7.579 2.054 -4.277 1.00 25.11 H new ATOM 0 HG2 ARG A 366 5.532 3.399 -6.074 1.00 52.11 H new ATOM 0 HG3 ARG A 366 6.747 4.240 -5.132 1.00 52.11 H new ATOM 0 HD2 ARG A 366 8.533 2.987 -6.400 1.00 14.53 H new ATOM 0 HD3 ARG A 366 7.280 2.269 -7.392 1.00 14.53 H new ATOM 0 HE ARG A 366 6.738 4.984 -7.588 1.00 45.41 H new ATOM 0 HH11 ARG A 366 9.620 3.029 -8.198 1.00 11.52 H new ATOM 0 HH12 ARG A 366 10.254 4.145 -9.412 1.00 11.52 H new ATOM 0 HH21 ARG A 366 7.618 6.419 -9.128 1.00 73.05 H new ATOM 0 HH22 ARG A 366 9.143 6.030 -9.931 1.00 73.05 H new ATOM 392 N LEU A 367 7.123 -0.907 -3.788 1.00 23.53 N ATOM 393 CA LEU A 367 7.193 -1.859 -2.689 1.00 62.45 C ATOM 394 C LEU A 367 6.943 -1.179 -1.324 1.00 61.15 C ATOM 395 O LEU A 367 6.313 -1.755 -0.437 1.00 31.05 O ATOM 396 CB LEU A 367 8.519 -2.620 -2.767 1.00 53.54 C ATOM 397 CG LEU A 367 8.854 -3.652 -1.679 1.00 53.32 C ATOM 398 CD1 LEU A 367 7.688 -4.596 -1.403 1.00 72.11 C ATOM 399 CD2 LEU A 367 10.026 -4.466 -2.168 1.00 4.43 C ATOM 0 H LEU A 367 7.967 -0.864 -4.360 1.00 23.53 H new ATOM 0 HA LEU A 367 6.390 -2.590 -2.784 1.00 62.45 H new ATOM 0 HB2 LEU A 367 8.546 -3.135 -3.727 1.00 53.54 H new ATOM 0 HB3 LEU A 367 9.321 -1.882 -2.778 1.00 53.54 H new ATOM 0 HG LEU A 367 9.077 -3.122 -0.753 1.00 53.32 H new ATOM 0 HD11 LEU A 367 7.972 -5.307 -0.627 1.00 72.11 H new ATOM 0 HD12 LEU A 367 6.825 -4.020 -1.069 1.00 72.11 H new ATOM 0 HD13 LEU A 367 7.433 -5.136 -2.315 1.00 72.11 H new ATOM 0 HD21 LEU A 367 10.291 -5.210 -1.417 1.00 4.43 H new ATOM 0 HD22 LEU A 367 9.758 -4.968 -3.098 1.00 4.43 H new ATOM 0 HD23 LEU A 367 10.878 -3.809 -2.343 1.00 4.43 H new ATOM 411 N ASN A 368 7.380 0.059 -1.197 1.00 61.31 N ATOM 412 CA ASN A 368 7.150 0.836 0.026 1.00 64.33 C ATOM 413 C ASN A 368 5.675 1.214 0.185 1.00 63.42 C ATOM 414 O ASN A 368 5.171 1.301 1.307 1.00 74.03 O ATOM 415 CB ASN A 368 8.046 2.080 0.075 1.00 53.25 C ATOM 416 CG ASN A 368 9.522 1.734 0.143 1.00 11.11 C ATOM 417 OD1 ASN A 368 10.183 1.574 -0.882 1.00 21.11 O ATOM 418 ND2 ASN A 368 10.052 1.625 1.336 1.00 43.52 N ATOM 0 H ASN A 368 7.898 0.557 -1.921 1.00 61.31 H new ATOM 0 HA ASN A 368 7.419 0.198 0.868 1.00 64.33 H new ATOM 0 HB2 ASN A 368 7.860 2.692 -0.808 1.00 53.25 H new ATOM 0 HB3 ASN A 368 7.778 2.683 0.943 1.00 53.25 H new ATOM 0 HD21 ASN A 368 11.042 1.401 1.436 1.00 43.52 H new ATOM 0 HD22 ASN A 368 9.475 1.764 2.165 1.00 43.52 H new ATOM 425 N GLU A 369 4.982 1.404 -0.935 1.00 61.03 N ATOM 426 CA GLU A 369 3.565 1.749 -0.915 1.00 3.12 C ATOM 427 C GLU A 369 2.739 0.590 -0.421 1.00 1.12 C ATOM 428 O GLU A 369 1.784 0.777 0.321 1.00 31.53 O ATOM 429 CB GLU A 369 3.082 2.189 -2.284 1.00 54.21 C ATOM 430 CG GLU A 369 3.695 3.477 -2.756 1.00 25.10 C ATOM 431 CD GLU A 369 3.414 4.605 -1.826 1.00 44.42 C ATOM 432 OE1 GLU A 369 2.241 5.010 -1.717 1.00 11.51 O ATOM 433 OE2 GLU A 369 4.360 5.117 -1.205 1.00 32.25 O ATOM 0 H GLU A 369 5.381 1.324 -1.870 1.00 61.03 H new ATOM 0 HA GLU A 369 3.442 2.586 -0.227 1.00 3.12 H new ATOM 0 HB2 GLU A 369 3.305 1.405 -3.007 1.00 54.21 H new ATOM 0 HB3 GLU A 369 1.998 2.301 -2.258 1.00 54.21 H new ATOM 0 HG2 GLU A 369 4.773 3.350 -2.856 1.00 25.10 H new ATOM 0 HG3 GLU A 369 3.310 3.720 -3.746 1.00 25.10 H new ATOM 440 N ILE A 370 3.112 -0.608 -0.847 1.00 22.15 N ATOM 441 CA ILE A 370 2.487 -1.845 -0.378 1.00 54.55 C ATOM 442 C ILE A 370 2.504 -1.903 1.144 1.00 14.11 C ATOM 443 O ILE A 370 1.489 -2.172 1.766 1.00 64.30 O ATOM 444 CB ILE A 370 3.246 -3.049 -0.967 1.00 63.11 C ATOM 445 CG1 ILE A 370 3.077 -3.036 -2.481 1.00 0.15 C ATOM 446 CG2 ILE A 370 2.792 -4.400 -0.358 1.00 35.43 C ATOM 447 CD1 ILE A 370 3.895 -4.051 -3.174 1.00 11.43 C ATOM 0 H ILE A 370 3.857 -0.754 -1.528 1.00 22.15 H new ATOM 0 HA ILE A 370 1.449 -1.874 -0.708 1.00 54.55 H new ATOM 0 HB ILE A 370 4.301 -2.953 -0.710 1.00 63.11 H new ATOM 0 HG12 ILE A 370 2.027 -3.200 -2.723 1.00 0.15 H new ATOM 0 HG13 ILE A 370 3.340 -2.048 -2.860 1.00 0.15 H new ATOM 0 HG21 ILE A 370 3.361 -5.212 -0.810 1.00 35.43 H new ATOM 0 HG22 ILE A 370 2.966 -4.391 0.718 1.00 35.43 H new ATOM 0 HG23 ILE A 370 1.730 -4.548 -0.553 1.00 35.43 H new ATOM 0 HD11 ILE A 370 3.724 -3.984 -4.248 1.00 11.43 H new ATOM 0 HD12 ILE A 370 4.950 -3.875 -2.962 1.00 11.43 H new ATOM 0 HD13 ILE A 370 3.616 -5.045 -2.824 1.00 11.43 H new ATOM 459 N TYR A 371 3.653 -1.597 1.727 1.00 34.32 N ATOM 460 CA TYR A 371 3.790 -1.582 3.178 1.00 45.22 C ATOM 461 C TYR A 371 2.858 -0.546 3.799 1.00 32.11 C ATOM 462 O TYR A 371 2.224 -0.787 4.824 1.00 3.42 O ATOM 463 CB TYR A 371 5.230 -1.293 3.596 1.00 15.14 C ATOM 464 CG TYR A 371 6.254 -2.292 3.119 1.00 71.42 C ATOM 465 CD1 TYR A 371 6.056 -3.655 3.268 1.00 34.12 C ATOM 466 CD2 TYR A 371 7.438 -1.865 2.556 1.00 15.03 C ATOM 467 CE1 TYR A 371 7.009 -4.554 2.861 1.00 44.23 C ATOM 468 CE2 TYR A 371 8.392 -2.758 2.143 1.00 73.54 C ATOM 469 CZ TYR A 371 8.174 -4.099 2.296 1.00 70.25 C ATOM 470 OH TYR A 371 9.127 -4.990 1.894 1.00 4.23 O ATOM 0 H TYR A 371 4.504 -1.356 1.219 1.00 34.32 H new ATOM 0 HA TYR A 371 3.515 -2.572 3.541 1.00 45.22 H new ATOM 0 HB2 TYR A 371 5.508 -0.307 3.223 1.00 15.14 H new ATOM 0 HB3 TYR A 371 5.272 -1.246 4.684 1.00 15.14 H new ATOM 0 HD1 TYR A 371 5.139 -4.015 3.711 1.00 34.12 H new ATOM 0 HD2 TYR A 371 7.617 -0.806 2.438 1.00 15.03 H new ATOM 0 HE1 TYR A 371 6.843 -5.614 2.985 1.00 44.23 H new ATOM 0 HE2 TYR A 371 9.311 -2.404 1.699 1.00 73.54 H new ATOM 0 HH TYR A 371 9.889 -4.505 1.514 1.00 4.23 H new ATOM 480 N ASN A 372 2.762 0.591 3.151 1.00 33.42 N ATOM 481 CA ASN A 372 1.911 1.684 3.625 1.00 34.52 C ATOM 482 C ASN A 372 0.453 1.313 3.551 1.00 2.34 C ATOM 483 O ASN A 372 -0.341 1.758 4.373 1.00 70.11 O ATOM 484 CB ASN A 372 2.143 2.971 2.841 1.00 62.31 C ATOM 485 CG ASN A 372 3.527 3.529 2.997 1.00 65.10 C ATOM 486 OD1 ASN A 372 4.176 3.347 4.033 1.00 0.12 O ATOM 487 ND2 ASN A 372 3.988 4.224 1.996 1.00 23.41 N ATOM 0 H ASN A 372 3.263 0.795 2.286 1.00 33.42 H new ATOM 0 HA ASN A 372 2.186 1.858 4.665 1.00 34.52 H new ATOM 0 HB2 ASN A 372 1.954 2.782 1.784 1.00 62.31 H new ATOM 0 HB3 ASN A 372 1.420 3.719 3.165 1.00 62.31 H new ATOM 0 HD21 ASN A 372 4.917 4.642 2.050 1.00 23.41 H new ATOM 0 HD22 ASN A 372 3.420 4.350 1.158 1.00 23.41 H new ATOM 494 N TRP A 373 0.101 0.505 2.568 1.00 43.34 N ATOM 495 CA TRP A 373 -1.261 0.044 2.402 1.00 74.00 C ATOM 496 C TRP A 373 -1.705 -0.726 3.628 1.00 61.24 C ATOM 497 O TRP A 373 -2.767 -0.455 4.177 1.00 43.12 O ATOM 498 CB TRP A 373 -1.396 -0.819 1.152 1.00 31.42 C ATOM 499 CG TRP A 373 -2.786 -1.340 0.916 1.00 20.15 C ATOM 500 CD1 TRP A 373 -3.760 -0.763 0.164 1.00 51.12 C ATOM 501 CD2 TRP A 373 -3.350 -2.555 1.440 1.00 21.24 C ATOM 502 NE1 TRP A 373 -4.890 -1.539 0.179 1.00 74.40 N ATOM 503 CE2 TRP A 373 -4.662 -2.652 0.958 1.00 11.21 C ATOM 504 CE3 TRP A 373 -2.859 -3.561 2.269 1.00 74.43 C ATOM 505 CZ2 TRP A 373 -5.495 -3.732 1.281 1.00 43.13 C ATOM 506 CZ3 TRP A 373 -3.677 -4.620 2.589 1.00 63.54 C ATOM 507 CH2 TRP A 373 -4.977 -4.699 2.095 1.00 20.31 C ATOM 0 H TRP A 373 0.750 0.152 1.865 1.00 43.34 H new ATOM 0 HA TRP A 373 -1.905 0.915 2.281 1.00 74.00 H new ATOM 0 HB2 TRP A 373 -1.086 -0.236 0.285 1.00 31.42 H new ATOM 0 HB3 TRP A 373 -0.711 -1.663 1.230 1.00 31.42 H new ATOM 0 HD1 TRP A 373 -3.658 0.171 -0.368 1.00 51.12 H new ATOM 0 HE1 TRP A 373 -5.760 -1.326 -0.309 1.00 74.40 H new ATOM 0 HE3 TRP A 373 -1.851 -3.510 2.655 1.00 74.43 H new ATOM 0 HZ2 TRP A 373 -6.504 -3.797 0.902 1.00 43.13 H new ATOM 0 HZ3 TRP A 373 -3.305 -5.403 3.234 1.00 63.54 H new ATOM 0 HH2 TRP A 373 -5.591 -5.546 2.362 1.00 20.31 H new ATOM 518 N PHE A 374 -0.878 -1.674 4.062 1.00 54.31 N ATOM 519 CA PHE A 374 -1.176 -2.470 5.249 1.00 1.45 C ATOM 520 C PHE A 374 -1.336 -1.588 6.463 1.00 74.44 C ATOM 521 O PHE A 374 -2.240 -1.778 7.248 1.00 75.00 O ATOM 522 CB PHE A 374 -0.099 -3.530 5.511 1.00 31.42 C ATOM 523 CG PHE A 374 -0.050 -4.664 4.529 1.00 3.52 C ATOM 524 CD1 PHE A 374 0.580 -4.529 3.311 1.00 74.45 C ATOM 525 CD2 PHE A 374 -0.629 -5.878 4.842 1.00 11.35 C ATOM 526 CE1 PHE A 374 0.633 -5.581 2.418 1.00 40.52 C ATOM 527 CE2 PHE A 374 -0.581 -6.930 3.958 1.00 41.15 C ATOM 528 CZ PHE A 374 0.051 -6.782 2.744 1.00 64.02 C ATOM 0 H PHE A 374 0.005 -1.910 3.609 1.00 54.31 H new ATOM 0 HA PHE A 374 -2.117 -2.986 5.058 1.00 1.45 H new ATOM 0 HB2 PHE A 374 0.874 -3.039 5.520 1.00 31.42 H new ATOM 0 HB3 PHE A 374 -0.256 -3.943 6.507 1.00 31.42 H new ATOM 0 HD1 PHE A 374 1.039 -3.587 3.051 1.00 74.45 H new ATOM 0 HD2 PHE A 374 -1.126 -6.003 5.793 1.00 11.35 H new ATOM 0 HE1 PHE A 374 1.130 -5.460 1.467 1.00 40.52 H new ATOM 0 HE2 PHE A 374 -1.039 -7.873 4.216 1.00 41.15 H new ATOM 0 HZ PHE A 374 0.089 -7.608 2.049 1.00 64.02 H new ATOM 538 N ALA A 375 -0.470 -0.613 6.587 1.00 51.34 N ATOM 539 CA ALA A 375 -0.518 0.324 7.705 1.00 15.25 C ATOM 540 C ALA A 375 -1.805 1.146 7.670 1.00 61.30 C ATOM 541 O ALA A 375 -2.424 1.426 8.700 1.00 3.41 O ATOM 542 CB ALA A 375 0.696 1.237 7.668 1.00 64.25 C ATOM 0 H ALA A 375 0.287 -0.439 5.926 1.00 51.34 H new ATOM 0 HA ALA A 375 -0.506 -0.244 8.635 1.00 15.25 H new ATOM 0 HB1 ALA A 375 0.653 1.933 8.505 1.00 64.25 H new ATOM 0 HB2 ALA A 375 1.604 0.638 7.740 1.00 64.25 H new ATOM 0 HB3 ALA A 375 0.703 1.795 6.732 1.00 64.25 H new ATOM 548 N SER A 376 -2.204 1.504 6.482 1.00 34.44 N ATOM 549 CA SER A 376 -3.366 2.315 6.273 1.00 23.31 C ATOM 550 C SER A 376 -4.694 1.523 6.374 1.00 65.12 C ATOM 551 O SER A 376 -5.649 2.010 6.972 1.00 22.22 O ATOM 552 CB SER A 376 -3.254 3.038 4.941 1.00 53.43 C ATOM 553 OG SER A 376 -2.043 3.793 4.884 1.00 43.22 O ATOM 0 H SER A 376 -1.724 1.237 5.622 1.00 34.44 H new ATOM 0 HA SER A 376 -3.400 3.046 7.081 1.00 23.31 H new ATOM 0 HB2 SER A 376 -3.278 2.316 4.125 1.00 53.43 H new ATOM 0 HB3 SER A 376 -4.109 3.700 4.806 1.00 53.43 H new ATOM 0 HG SER A 376 -1.282 3.184 4.781 1.00 43.22 H new ATOM 559 N ASN A 377 -4.756 0.309 5.806 1.00 34.04 N ATOM 560 CA ASN A 377 -6.021 -0.459 5.837 1.00 11.31 C ATOM 561 C ASN A 377 -6.141 -1.316 7.084 1.00 4.01 C ATOM 562 O ASN A 377 -7.245 -1.653 7.512 1.00 73.33 O ATOM 563 CB ASN A 377 -6.256 -1.360 4.577 1.00 20.32 C ATOM 564 CG ASN A 377 -6.509 -0.621 3.247 1.00 53.34 C ATOM 565 OD1 ASN A 377 -7.306 -1.079 2.421 1.00 62.25 O ATOM 566 ND2 ASN A 377 -5.796 0.447 2.985 1.00 33.03 N ATOM 0 H ASN A 377 -3.979 -0.153 5.335 1.00 34.04 H new ATOM 0 HA ASN A 377 -6.795 0.309 5.841 1.00 11.31 H new ATOM 0 HB2 ASN A 377 -5.386 -2.005 4.450 1.00 20.32 H new ATOM 0 HB3 ASN A 377 -7.108 -2.010 4.775 1.00 20.32 H new ATOM 0 HD21 ASN A 377 -5.893 0.917 2.085 1.00 33.03 H new ATOM 0 HD22 ASN A 377 -5.144 0.808 3.681 1.00 33.03 H new ATOM 573 N VAL A 378 -5.023 -1.668 7.672 1.00 45.22 N ATOM 574 CA VAL A 378 -5.022 -2.535 8.823 1.00 2.35 C ATOM 575 C VAL A 378 -4.534 -1.775 10.054 1.00 72.23 C ATOM 576 O VAL A 378 -3.417 -1.257 10.074 1.00 32.33 O ATOM 577 CB VAL A 378 -4.130 -3.781 8.590 1.00 23.42 C ATOM 578 CG1 VAL A 378 -4.184 -4.733 9.777 1.00 31.42 C ATOM 579 CG2 VAL A 378 -4.519 -4.495 7.304 1.00 31.55 C ATOM 0 H VAL A 378 -4.097 -1.365 7.369 1.00 45.22 H new ATOM 0 HA VAL A 378 -6.045 -2.873 8.986 1.00 2.35 H new ATOM 0 HB VAL A 378 -3.101 -3.436 8.489 1.00 23.42 H new ATOM 0 HG11 VAL A 378 -3.548 -5.596 9.581 1.00 31.42 H new ATOM 0 HG12 VAL A 378 -3.833 -4.219 10.672 1.00 31.42 H new ATOM 0 HG13 VAL A 378 -5.210 -5.067 9.929 1.00 31.42 H new ATOM 0 HG21 VAL A 378 -3.878 -5.366 7.163 1.00 31.55 H new ATOM 0 HG22 VAL A 378 -5.559 -4.816 7.366 1.00 31.55 H new ATOM 0 HG23 VAL A 378 -4.399 -3.816 6.460 1.00 31.55 H new ATOM 589 N PRO A 379 -5.365 -1.724 11.103 1.00 73.42 N ATOM 590 CA PRO A 379 -5.057 -0.983 12.335 1.00 62.21 C ATOM 591 C PRO A 379 -3.802 -1.494 13.040 1.00 13.21 C ATOM 592 O PRO A 379 -3.050 -0.717 13.627 1.00 54.13 O ATOM 593 CB PRO A 379 -6.291 -1.193 13.218 1.00 35.32 C ATOM 594 CG PRO A 379 -7.044 -2.332 12.610 1.00 24.31 C ATOM 595 CD PRO A 379 -6.678 -2.383 11.158 1.00 34.12 C ATOM 0 HA PRO A 379 -4.849 0.065 12.120 1.00 62.21 H new ATOM 0 HB2 PRO A 379 -6.002 -1.420 14.244 1.00 35.32 H new ATOM 0 HB3 PRO A 379 -6.905 -0.293 13.251 1.00 35.32 H new ATOM 0 HG2 PRO A 379 -6.788 -3.269 13.104 1.00 24.31 H new ATOM 0 HG3 PRO A 379 -8.118 -2.191 12.731 1.00 24.31 H new ATOM 0 HD2 PRO A 379 -6.626 -3.409 10.795 1.00 34.12 H new ATOM 0 HD3 PRO A 379 -7.412 -1.864 10.542 1.00 34.12 H new ATOM 603 N TYR A 380 -3.576 -2.802 12.950 1.00 44.24 N ATOM 604 CA TYR A 380 -2.429 -3.437 13.562 1.00 54.13 C ATOM 605 C TYR A 380 -1.134 -2.845 12.991 1.00 12.43 C ATOM 606 O TYR A 380 -0.200 -2.536 13.725 1.00 42.30 O ATOM 607 CB TYR A 380 -2.515 -4.945 13.295 1.00 32.12 C ATOM 608 CG TYR A 380 -1.415 -5.760 13.906 1.00 4.12 C ATOM 609 CD1 TYR A 380 -1.389 -6.003 15.266 1.00 34.25 C ATOM 610 CD2 TYR A 380 -0.406 -6.288 13.126 1.00 73.21 C ATOM 611 CE1 TYR A 380 -0.388 -6.748 15.832 1.00 23.20 C ATOM 612 CE2 TYR A 380 0.602 -7.037 13.682 1.00 21.42 C ATOM 613 CZ TYR A 380 0.609 -7.266 15.035 1.00 12.40 C ATOM 614 OH TYR A 380 1.616 -8.010 15.589 1.00 62.10 O ATOM 0 H TYR A 380 -4.188 -3.446 12.449 1.00 44.24 H new ATOM 0 HA TYR A 380 -2.424 -3.261 14.638 1.00 54.13 H new ATOM 0 HB2 TYR A 380 -3.470 -5.311 13.671 1.00 32.12 H new ATOM 0 HB3 TYR A 380 -2.513 -5.109 12.217 1.00 32.12 H new ATOM 0 HD1 TYR A 380 -2.170 -5.599 15.893 1.00 34.25 H new ATOM 0 HD2 TYR A 380 -0.409 -6.109 12.061 1.00 73.21 H new ATOM 0 HE1 TYR A 380 -0.381 -6.928 16.897 1.00 23.20 H new ATOM 0 HE2 TYR A 380 1.384 -7.443 13.058 1.00 21.42 H new ATOM 0 HH TYR A 380 2.234 -8.299 14.886 1.00 62.10 H new ATOM 624 N PHE A 381 -1.107 -2.669 11.687 1.00 62.01 N ATOM 625 CA PHE A 381 0.056 -2.131 11.021 1.00 34.51 C ATOM 626 C PHE A 381 0.195 -0.642 11.184 1.00 32.35 C ATOM 627 O PHE A 381 1.296 -0.127 11.157 1.00 24.33 O ATOM 628 CB PHE A 381 0.144 -2.572 9.587 1.00 24.40 C ATOM 629 CG PHE A 381 0.208 -4.040 9.487 1.00 24.52 C ATOM 630 CD1 PHE A 381 1.176 -4.740 10.170 1.00 72.22 C ATOM 631 CD2 PHE A 381 -0.696 -4.727 8.734 1.00 4.41 C ATOM 632 CE1 PHE A 381 1.232 -6.097 10.101 1.00 3.03 C ATOM 633 CE2 PHE A 381 -0.647 -6.078 8.652 1.00 3.03 C ATOM 634 CZ PHE A 381 0.324 -6.769 9.343 1.00 33.52 C ATOM 0 H PHE A 381 -1.884 -2.893 11.065 1.00 62.01 H new ATOM 0 HA PHE A 381 0.920 -2.559 11.529 1.00 34.51 H new ATOM 0 HB2 PHE A 381 -0.722 -2.204 9.036 1.00 24.40 H new ATOM 0 HB3 PHE A 381 1.027 -2.134 9.122 1.00 24.40 H new ATOM 0 HD1 PHE A 381 1.900 -4.206 10.768 1.00 72.22 H new ATOM 0 HD2 PHE A 381 -1.461 -4.188 8.196 1.00 4.41 H new ATOM 0 HE1 PHE A 381 1.993 -6.638 10.645 1.00 3.03 H new ATOM 0 HE2 PHE A 381 -1.366 -6.611 8.048 1.00 3.03 H new ATOM 0 HZ PHE A 381 0.364 -7.847 9.283 1.00 33.52 H new ATOM 644 N GLY A 382 -0.924 0.050 11.343 1.00 33.54 N ATOM 645 CA GLY A 382 -0.874 1.483 11.604 1.00 4.11 C ATOM 646 C GLY A 382 -0.122 1.767 12.902 1.00 64.23 C ATOM 647 O GLY A 382 0.568 2.785 13.042 1.00 60.01 O ATOM 0 H GLY A 382 -1.862 -0.348 11.297 1.00 33.54 H new ATOM 0 HA2 GLY A 382 -0.384 1.992 10.774 1.00 4.11 H new ATOM 0 HA3 GLY A 382 -1.886 1.882 11.669 1.00 4.11 H new ATOM 651 N ASN A 383 -0.244 0.834 13.839 1.00 40.34 N ATOM 652 CA ASN A 383 0.440 0.897 15.124 1.00 52.31 C ATOM 653 C ASN A 383 1.864 0.356 15.003 1.00 41.32 C ATOM 654 O ASN A 383 2.656 0.411 15.951 1.00 12.41 O ATOM 655 CB ASN A 383 -0.347 0.098 16.171 1.00 41.31 C ATOM 656 CG ASN A 383 -1.707 0.699 16.470 1.00 62.44 C ATOM 657 OD1 ASN A 383 -1.904 1.920 16.394 1.00 31.52 O ATOM 658 ND2 ASN A 383 -2.654 -0.135 16.803 1.00 41.13 N ATOM 0 H ASN A 383 -0.827 0.004 13.726 1.00 40.34 H new ATOM 0 HA ASN A 383 0.497 1.939 15.440 1.00 52.31 H new ATOM 0 HB2 ASN A 383 -0.477 -0.925 15.818 1.00 41.31 H new ATOM 0 HB3 ASN A 383 0.233 0.046 17.093 1.00 41.31 H new ATOM 0 HD21 ASN A 383 -3.590 0.213 17.010 1.00 41.13 H new ATOM 0 HD22 ASN A 383 -2.458 -1.135 16.856 1.00 41.13 H new ATOM 665 N ARG A 384 2.182 -0.165 13.842 1.00 44.21 N ATOM 666 CA ARG A 384 3.494 -0.684 13.562 1.00 64.01 C ATOM 667 C ARG A 384 4.129 0.012 12.381 1.00 3.14 C ATOM 668 O ARG A 384 4.551 -0.634 11.421 1.00 4.34 O ATOM 669 CB ARG A 384 3.497 -2.184 13.324 1.00 24.34 C ATOM 670 CG ARG A 384 3.262 -3.036 14.536 1.00 71.31 C ATOM 671 CD ARG A 384 3.447 -4.479 14.163 1.00 33.40 C ATOM 672 NE ARG A 384 3.443 -5.363 15.309 1.00 5.31 N ATOM 673 CZ ARG A 384 4.431 -6.229 15.583 1.00 12.35 C ATOM 674 NH1 ARG A 384 5.581 -6.183 14.887 1.00 44.31 N ATOM 675 NH2 ARG A 384 4.288 -7.112 16.562 1.00 34.24 N ATOM 0 H ARG A 384 1.530 -0.240 13.061 1.00 44.21 H new ATOM 0 HA ARG A 384 4.083 -0.484 14.457 1.00 64.01 H new ATOM 0 HB2 ARG A 384 2.731 -2.417 12.585 1.00 24.34 H new ATOM 0 HB3 ARG A 384 4.456 -2.462 12.888 1.00 24.34 H new ATOM 0 HG2 ARG A 384 3.956 -2.761 15.330 1.00 71.31 H new ATOM 0 HG3 ARG A 384 2.256 -2.873 14.921 1.00 71.31 H new ATOM 0 HD2 ARG A 384 2.653 -4.777 13.478 1.00 33.40 H new ATOM 0 HD3 ARG A 384 4.389 -4.592 13.627 1.00 33.40 H new ATOM 0 HE ARG A 384 2.645 -5.326 15.943 1.00 5.31 H new ATOM 0 HH11 ARG A 384 5.703 -5.489 14.149 1.00 44.31 H new ATOM 0 HH12 ARG A 384 6.331 -6.842 15.097 1.00 44.31 H new ATOM 0 HH21 ARG A 384 3.426 -7.133 17.108 1.00 34.24 H new ATOM 0 HH22 ARG A 384 5.040 -7.770 16.769 1.00 34.24 H new ATOM 689 N THR A 385 4.208 1.298 12.450 1.00 4.42 N ATOM 690 CA THR A 385 4.779 2.069 11.383 1.00 21.35 C ATOM 691 C THR A 385 6.239 2.478 11.662 1.00 11.55 C ATOM 692 O THR A 385 6.944 2.973 10.765 1.00 2.55 O ATOM 693 CB THR A 385 3.892 3.283 11.063 1.00 72.24 C ATOM 694 OG1 THR A 385 3.480 3.924 12.300 1.00 23.23 O ATOM 695 CG2 THR A 385 2.666 2.853 10.277 1.00 74.15 C ATOM 0 H THR A 385 3.881 1.849 13.243 1.00 4.42 H new ATOM 0 HA THR A 385 4.813 1.431 10.500 1.00 21.35 H new ATOM 0 HB THR A 385 4.465 3.987 10.459 1.00 72.24 H new ATOM 0 HG1 THR A 385 2.591 3.600 12.556 1.00 23.23 H new ATOM 0 HG21 THR A 385 2.049 3.725 10.059 1.00 74.15 H new ATOM 0 HG22 THR A 385 2.978 2.387 9.343 1.00 74.15 H new ATOM 0 HG23 THR A 385 2.089 2.138 10.864 1.00 74.15 H new ATOM 703 N SER A 386 6.700 2.230 12.885 1.00 51.05 N ATOM 704 CA SER A 386 8.057 2.550 13.277 1.00 33.24 C ATOM 705 C SER A 386 8.990 1.462 12.730 1.00 41.44 C ATOM 706 O SER A 386 8.514 0.403 12.305 1.00 22.44 O ATOM 707 CB SER A 386 8.145 2.658 14.810 1.00 43.41 C ATOM 708 OG SER A 386 9.446 3.021 15.244 1.00 43.40 O ATOM 0 H SER A 386 6.141 1.804 13.624 1.00 51.05 H new ATOM 0 HA SER A 386 8.361 3.512 12.865 1.00 33.24 H new ATOM 0 HB2 SER A 386 7.426 3.397 15.163 1.00 43.41 H new ATOM 0 HB3 SER A 386 7.867 1.704 15.257 1.00 43.41 H new ATOM 0 HG SER A 386 9.460 3.081 16.222 1.00 43.40 H new ATOM 714 N GLN A 387 10.293 1.697 12.751 1.00 72.31 N ATOM 715 CA GLN A 387 11.247 0.763 12.146 1.00 61.25 C ATOM 716 C GLN A 387 11.206 -0.636 12.754 1.00 70.02 C ATOM 717 O GLN A 387 11.001 -1.607 12.034 1.00 72.10 O ATOM 718 CB GLN A 387 12.667 1.316 12.151 1.00 0.40 C ATOM 719 CG GLN A 387 12.843 2.557 11.301 1.00 23.55 C ATOM 720 CD GLN A 387 14.273 3.045 11.280 1.00 34.32 C ATOM 721 OE1 GLN A 387 14.682 3.858 12.107 1.00 64.34 O ATOM 722 NE2 GLN A 387 15.044 2.546 10.351 1.00 4.04 N ATOM 0 H GLN A 387 10.718 2.520 13.177 1.00 72.31 H new ATOM 0 HA GLN A 387 10.924 0.657 11.110 1.00 61.25 H new ATOM 0 HB2 GLN A 387 12.954 1.546 13.177 1.00 0.40 H new ATOM 0 HB3 GLN A 387 13.349 0.544 11.795 1.00 0.40 H new ATOM 0 HG2 GLN A 387 12.520 2.344 10.282 1.00 23.55 H new ATOM 0 HG3 GLN A 387 12.198 3.349 11.681 1.00 23.55 H new ATOM 0 HE21 GLN A 387 14.668 1.874 9.683 1.00 4.04 H new ATOM 0 HE22 GLN A 387 16.022 2.829 10.294 1.00 4.04 H new ATOM 731 N GLU A 388 11.324 -0.745 14.069 1.00 63.02 N ATOM 732 CA GLU A 388 11.352 -2.067 14.704 1.00 61.41 C ATOM 733 C GLU A 388 9.950 -2.635 14.828 1.00 65.31 C ATOM 734 O GLU A 388 9.754 -3.807 15.163 1.00 65.12 O ATOM 735 CB GLU A 388 12.040 -2.018 16.057 1.00 4.20 C ATOM 736 CG GLU A 388 13.458 -1.515 15.992 1.00 42.33 C ATOM 737 CD GLU A 388 14.126 -1.518 17.333 1.00 74.53 C ATOM 738 OE1 GLU A 388 13.987 -0.529 18.082 1.00 20.24 O ATOM 739 OE2 GLU A 388 14.824 -2.512 17.661 1.00 0.41 O ATOM 0 H GLU A 388 11.401 0.044 14.711 1.00 63.02 H new ATOM 0 HA GLU A 388 11.933 -2.731 14.064 1.00 61.41 H new ATOM 0 HB2 GLU A 388 11.465 -1.376 16.725 1.00 4.20 H new ATOM 0 HB3 GLU A 388 12.037 -3.017 16.494 1.00 4.20 H new ATOM 0 HG2 GLU A 388 14.030 -2.136 15.303 1.00 42.33 H new ATOM 0 HG3 GLU A 388 13.464 -0.502 15.588 1.00 42.33 H new ATOM 746 N GLN A 389 8.985 -1.797 14.565 1.00 2.14 N ATOM 747 CA GLN A 389 7.615 -2.204 14.539 1.00 52.41 C ATOM 748 C GLN A 389 7.274 -2.850 13.206 1.00 0.13 C ATOM 749 O GLN A 389 6.539 -3.839 13.152 1.00 15.45 O ATOM 750 CB GLN A 389 6.702 -1.001 14.740 1.00 13.31 C ATOM 751 CG GLN A 389 6.709 -0.386 16.125 1.00 0.31 C ATOM 752 CD GLN A 389 6.132 -1.311 17.166 1.00 2.44 C ATOM 753 OE1 GLN A 389 6.846 -2.092 17.784 1.00 32.21 O ATOM 754 NE2 GLN A 389 4.839 -1.234 17.363 1.00 70.54 N ATOM 0 H GLN A 389 9.132 -0.808 14.362 1.00 2.14 H new ATOM 0 HA GLN A 389 7.466 -2.923 15.344 1.00 52.41 H new ATOM 0 HB2 GLN A 389 6.984 -0.232 14.021 1.00 13.31 H new ATOM 0 HB3 GLN A 389 5.681 -1.301 14.502 1.00 13.31 H new ATOM 0 HG2 GLN A 389 7.732 -0.127 16.400 1.00 0.31 H new ATOM 0 HG3 GLN A 389 6.138 0.542 16.111 1.00 0.31 H new ATOM 0 HE21 GLN A 389 4.280 -0.570 16.827 1.00 70.54 H new ATOM 0 HE22 GLN A 389 4.391 -1.838 18.052 1.00 70.54 H new ATOM 763 N SER A 390 7.818 -2.295 12.136 1.00 44.04 N ATOM 764 CA SER A 390 7.431 -2.698 10.815 1.00 31.40 C ATOM 765 C SER A 390 8.400 -3.642 10.112 1.00 61.31 C ATOM 766 O SER A 390 7.965 -4.467 9.304 1.00 34.32 O ATOM 767 CB SER A 390 7.152 -1.471 9.953 1.00 24.43 C ATOM 768 OG SER A 390 8.308 -0.651 9.828 1.00 31.14 O ATOM 0 H SER A 390 8.529 -1.564 12.167 1.00 44.04 H new ATOM 0 HA SER A 390 6.522 -3.285 10.947 1.00 31.40 H new ATOM 0 HB2 SER A 390 6.820 -1.787 8.964 1.00 24.43 H new ATOM 0 HB3 SER A 390 6.339 -0.893 10.393 1.00 24.43 H new ATOM 0 HG SER A 390 8.396 -0.086 10.624 1.00 31.14 H new ATOM 774 N ALA A 391 9.691 -3.541 10.421 1.00 24.30 N ATOM 775 CA ALA A 391 10.731 -4.311 9.723 1.00 21.31 C ATOM 776 C ALA A 391 10.430 -5.804 9.654 1.00 73.14 C ATOM 777 O ALA A 391 10.648 -6.436 8.617 1.00 34.31 O ATOM 778 CB ALA A 391 12.084 -4.078 10.350 1.00 31.43 C ATOM 0 H ALA A 391 10.049 -2.930 11.155 1.00 24.30 H new ATOM 0 HA ALA A 391 10.741 -3.945 8.696 1.00 21.31 H new ATOM 0 HB1 ALA A 391 12.837 -4.658 9.817 1.00 31.43 H new ATOM 0 HB2 ALA A 391 12.334 -3.019 10.292 1.00 31.43 H new ATOM 0 HB3 ALA A 391 12.059 -4.389 11.394 1.00 31.43 H new ATOM 784 N GLY A 392 9.908 -6.346 10.724 1.00 20.13 N ATOM 785 CA GLY A 392 9.603 -7.753 10.767 1.00 72.14 C ATOM 786 C GLY A 392 8.446 -8.149 9.875 1.00 4.10 C ATOM 787 O GLY A 392 8.519 -9.176 9.170 1.00 14.21 O ATOM 0 H GLY A 392 9.685 -5.834 11.578 1.00 20.13 H new ATOM 0 HA2 GLY A 392 10.488 -8.317 10.473 1.00 72.14 H new ATOM 0 HA3 GLY A 392 9.372 -8.035 11.794 1.00 72.14 H new ATOM 791 N TRP A 393 7.376 -7.365 9.863 1.00 61.22 N ATOM 792 CA TRP A 393 6.271 -7.727 9.016 1.00 14.11 C ATOM 793 C TRP A 393 6.589 -7.420 7.551 1.00 5.12 C ATOM 794 O TRP A 393 6.109 -8.107 6.650 1.00 30.35 O ATOM 795 CB TRP A 393 4.887 -7.214 9.490 1.00 25.34 C ATOM 796 CG TRP A 393 4.701 -5.747 9.523 1.00 72.02 C ATOM 797 CD1 TRP A 393 4.951 -4.923 10.554 1.00 24.32 C ATOM 798 CD2 TRP A 393 4.181 -4.945 8.474 1.00 21.11 C ATOM 799 NE1 TRP A 393 4.630 -3.624 10.208 1.00 61.11 N ATOM 800 CE2 TRP A 393 4.162 -3.616 8.930 1.00 73.51 C ATOM 801 CE3 TRP A 393 3.740 -5.227 7.193 1.00 32.10 C ATOM 802 CZ2 TRP A 393 3.716 -2.564 8.142 1.00 62.24 C ATOM 803 CZ3 TRP A 393 3.295 -4.186 6.405 1.00 72.53 C ATOM 804 CH2 TRP A 393 3.290 -2.867 6.881 1.00 61.22 C ATOM 0 H TRP A 393 7.259 -6.511 10.409 1.00 61.22 H new ATOM 0 HA TRP A 393 6.156 -8.807 9.103 1.00 14.11 H new ATOM 0 HB2 TRP A 393 4.124 -7.640 8.838 1.00 25.34 H new ATOM 0 HB3 TRP A 393 4.704 -7.603 10.491 1.00 25.34 H new ATOM 0 HD1 TRP A 393 5.345 -5.230 11.512 1.00 24.32 H new ATOM 0 HE1 TRP A 393 4.728 -2.807 10.811 1.00 61.11 H new ATOM 0 HE3 TRP A 393 3.744 -6.240 6.818 1.00 32.10 H new ATOM 0 HZ2 TRP A 393 3.706 -1.549 8.511 1.00 62.24 H new ATOM 0 HZ3 TRP A 393 2.944 -4.390 5.404 1.00 72.53 H new ATOM 0 HH2 TRP A 393 2.942 -2.074 6.236 1.00 61.22 H new ATOM 815 N LYS A 394 7.443 -6.398 7.322 1.00 24.21 N ATOM 816 CA LYS A 394 7.976 -6.138 5.993 1.00 61.12 C ATOM 817 C LYS A 394 8.775 -7.334 5.528 1.00 4.31 C ATOM 818 O LYS A 394 8.671 -7.758 4.380 1.00 23.34 O ATOM 819 CB LYS A 394 8.861 -4.902 5.994 1.00 23.12 C ATOM 820 CG LYS A 394 8.089 -3.642 6.222 1.00 53.14 C ATOM 821 CD LYS A 394 8.978 -2.428 6.280 1.00 23.22 C ATOM 822 CE LYS A 394 8.135 -1.198 6.459 1.00 33.41 C ATOM 823 NZ LYS A 394 8.932 0.055 6.437 1.00 41.42 N ATOM 0 H LYS A 394 7.768 -5.752 8.042 1.00 24.21 H new ATOM 0 HA LYS A 394 7.142 -5.962 5.314 1.00 61.12 H new ATOM 0 HB2 LYS A 394 9.620 -5.004 6.770 1.00 23.12 H new ATOM 0 HB3 LYS A 394 9.386 -4.835 5.041 1.00 23.12 H new ATOM 0 HG2 LYS A 394 7.359 -3.517 5.423 1.00 53.14 H new ATOM 0 HG3 LYS A 394 7.530 -3.725 7.154 1.00 53.14 H new ATOM 0 HD2 LYS A 394 9.685 -2.521 7.105 1.00 23.22 H new ATOM 0 HD3 LYS A 394 9.565 -2.350 5.365 1.00 23.22 H new ATOM 0 HE2 LYS A 394 7.385 -1.160 5.669 1.00 33.41 H new ATOM 0 HE3 LYS A 394 7.599 -1.265 7.406 1.00 33.41 H new ATOM 0 HZ1 LYS A 394 8.300 0.871 6.565 1.00 41.42 H new ATOM 0 HZ2 LYS A 394 9.631 0.035 7.206 1.00 41.42 H new ATOM 0 HZ3 LYS A 394 9.424 0.138 5.524 1.00 41.42 H new ATOM 837 N ASN A 395 9.545 -7.907 6.456 1.00 23.41 N ATOM 838 CA ASN A 395 10.336 -9.097 6.176 1.00 23.12 C ATOM 839 C ASN A 395 9.441 -10.262 5.798 1.00 31.21 C ATOM 840 O ASN A 395 9.763 -11.041 4.927 1.00 0.22 O ATOM 841 CB ASN A 395 11.229 -9.456 7.382 1.00 0.11 C ATOM 842 CG ASN A 395 11.876 -10.831 7.273 1.00 44.43 C ATOM 843 OD1 ASN A 395 12.948 -10.993 6.692 1.00 11.24 O ATOM 844 ND2 ASN A 395 11.255 -11.816 7.875 1.00 2.23 N ATOM 0 H ASN A 395 9.634 -7.560 7.411 1.00 23.41 H new ATOM 0 HA ASN A 395 10.985 -8.882 5.327 1.00 23.12 H new ATOM 0 HB2 ASN A 395 12.010 -8.703 7.482 1.00 0.11 H new ATOM 0 HB3 ASN A 395 10.630 -9.416 8.292 1.00 0.11 H new ATOM 0 HD21 ASN A 395 11.660 -12.752 7.871 1.00 2.23 H new ATOM 0 HD22 ASN A 395 10.367 -11.646 8.347 1.00 2.23 H new ATOM 851 N SER A 396 8.298 -10.337 6.432 1.00 43.02 N ATOM 852 CA SER A 396 7.362 -11.413 6.191 1.00 51.31 C ATOM 853 C SER A 396 6.725 -11.293 4.768 1.00 72.23 C ATOM 854 O SER A 396 6.438 -12.307 4.102 1.00 64.42 O ATOM 855 CB SER A 396 6.316 -11.410 7.303 1.00 22.01 C ATOM 856 OG SER A 396 6.955 -11.471 8.594 1.00 23.41 O ATOM 0 H SER A 396 7.988 -9.658 7.128 1.00 43.02 H new ATOM 0 HA SER A 396 7.881 -12.371 6.208 1.00 51.31 H new ATOM 0 HB2 SER A 396 5.706 -10.510 7.234 1.00 22.01 H new ATOM 0 HB3 SER A 396 5.645 -12.260 7.182 1.00 22.01 H new ATOM 0 HG SER A 396 7.415 -10.624 8.772 1.00 23.41 H new ATOM 862 N ILE A 397 6.533 -10.059 4.309 1.00 32.30 N ATOM 863 CA ILE A 397 6.045 -9.784 2.946 1.00 42.33 C ATOM 864 C ILE A 397 7.159 -10.109 1.942 1.00 61.11 C ATOM 865 O ILE A 397 6.938 -10.822 0.960 1.00 13.14 O ATOM 866 CB ILE A 397 5.599 -8.289 2.813 1.00 73.30 C ATOM 867 CG1 ILE A 397 4.348 -8.025 3.664 1.00 74.21 C ATOM 868 CG2 ILE A 397 5.356 -7.883 1.360 1.00 13.53 C ATOM 869 CD1 ILE A 397 3.930 -6.578 3.729 1.00 42.01 C ATOM 0 H ILE A 397 6.708 -9.220 4.862 1.00 32.30 H new ATOM 0 HA ILE A 397 5.177 -10.409 2.737 1.00 42.33 H new ATOM 0 HB ILE A 397 6.419 -7.674 3.184 1.00 73.30 H new ATOM 0 HG12 ILE A 397 3.521 -8.611 3.263 1.00 74.21 H new ATOM 0 HG13 ILE A 397 4.531 -8.383 4.677 1.00 74.21 H new ATOM 0 HG21 ILE A 397 5.049 -6.838 1.321 1.00 13.53 H new ATOM 0 HG22 ILE A 397 6.274 -8.013 0.787 1.00 13.53 H new ATOM 0 HG23 ILE A 397 4.571 -8.508 0.934 1.00 13.53 H new ATOM 0 HD11 ILE A 397 3.039 -6.484 4.350 1.00 42.01 H new ATOM 0 HD12 ILE A 397 4.737 -5.985 4.160 1.00 42.01 H new ATOM 0 HD13 ILE A 397 3.711 -6.217 2.724 1.00 42.01 H new ATOM 881 N ARG A 398 8.356 -9.608 2.221 1.00 12.23 N ATOM 882 CA ARG A 398 9.545 -9.876 1.406 1.00 12.33 C ATOM 883 C ARG A 398 9.829 -11.368 1.303 1.00 14.33 C ATOM 884 O ARG A 398 10.207 -11.866 0.237 1.00 13.00 O ATOM 885 CB ARG A 398 10.739 -9.134 1.990 1.00 71.25 C ATOM 886 CG ARG A 398 10.698 -7.643 1.780 1.00 50.42 C ATOM 887 CD ARG A 398 11.305 -7.204 0.444 1.00 50.30 C ATOM 888 NE ARG A 398 10.677 -7.794 -0.750 1.00 10.31 N ATOM 889 CZ ARG A 398 11.262 -7.783 -1.963 1.00 63.34 C ATOM 890 NH1 ARG A 398 12.434 -7.170 -2.129 1.00 32.01 N ATOM 891 NH2 ARG A 398 10.663 -8.362 -3.014 1.00 34.35 N ATOM 0 H ARG A 398 8.535 -9.001 3.021 1.00 12.23 H new ATOM 0 HA ARG A 398 9.359 -9.516 0.394 1.00 12.33 H new ATOM 0 HB2 ARG A 398 10.793 -9.338 3.059 1.00 71.25 H new ATOM 0 HB3 ARG A 398 11.652 -9.528 1.544 1.00 71.25 H new ATOM 0 HG2 ARG A 398 9.663 -7.304 1.830 1.00 50.42 H new ATOM 0 HG3 ARG A 398 11.234 -7.153 2.593 1.00 50.42 H new ATOM 0 HD2 ARG A 398 11.239 -6.118 0.372 1.00 50.30 H new ATOM 0 HD3 ARG A 398 12.365 -7.460 0.442 1.00 50.30 H new ATOM 0 HE ARG A 398 9.760 -8.230 -0.654 1.00 10.31 H new ATOM 0 HH11 ARG A 398 12.886 -6.711 -1.338 1.00 32.01 H new ATOM 0 HH12 ARG A 398 12.879 -7.160 -3.047 1.00 32.01 H new ATOM 0 HH21 ARG A 398 9.757 -8.816 -2.898 1.00 34.35 H new ATOM 0 HH22 ARG A 398 11.114 -8.349 -3.929 1.00 34.35 H new ATOM 905 N HIS A 399 9.616 -12.071 2.407 1.00 20.50 N ATOM 906 CA HIS A 399 9.806 -13.513 2.482 1.00 43.21 C ATOM 907 C HIS A 399 8.865 -14.215 1.491 1.00 60.44 C ATOM 908 O HIS A 399 9.290 -15.079 0.740 1.00 23.23 O ATOM 909 CB HIS A 399 9.558 -14.004 3.933 1.00 12.30 C ATOM 910 CG HIS A 399 9.911 -15.448 4.201 1.00 22.22 C ATOM 911 ND1 HIS A 399 11.075 -15.830 4.832 1.00 4.01 N ATOM 912 CD2 HIS A 399 9.240 -16.596 3.948 1.00 11.02 C ATOM 913 CE1 HIS A 399 11.104 -17.138 4.949 1.00 3.45 C ATOM 914 NE2 HIS A 399 10.007 -17.626 4.425 1.00 51.54 N ATOM 0 H HIS A 399 9.304 -11.653 3.283 1.00 20.50 H new ATOM 0 HA HIS A 399 10.833 -13.759 2.211 1.00 43.21 H new ATOM 0 HB2 HIS A 399 10.132 -13.376 4.614 1.00 12.30 H new ATOM 0 HB3 HIS A 399 8.505 -13.855 4.173 1.00 12.30 H new ATOM 0 HD2 HIS A 399 8.280 -16.684 3.461 1.00 11.02 H new ATOM 0 HE1 HIS A 399 11.898 -17.714 5.401 1.00 3.45 H new ATOM 0 HE2 HIS A 399 9.763 -18.615 4.379 1.00 51.54 H new ATOM 923 N ASN A 400 7.592 -13.823 1.480 1.00 72.41 N ATOM 924 CA ASN A 400 6.631 -14.412 0.531 1.00 2.02 C ATOM 925 C ASN A 400 6.856 -13.980 -0.893 1.00 12.21 C ATOM 926 O ASN A 400 6.685 -14.780 -1.809 1.00 4.31 O ATOM 927 CB ASN A 400 5.160 -14.247 0.938 1.00 42.54 C ATOM 928 CG ASN A 400 4.769 -15.186 2.047 1.00 22.21 C ATOM 929 OD1 ASN A 400 4.430 -16.347 1.803 1.00 60.10 O ATOM 930 ND2 ASN A 400 4.735 -14.693 3.237 1.00 23.35 N ATOM 0 H ASN A 400 7.201 -13.115 2.102 1.00 72.41 H new ATOM 0 HA ASN A 400 6.841 -15.480 0.581 1.00 2.02 H new ATOM 0 HB2 ASN A 400 4.986 -13.219 1.256 1.00 42.54 H new ATOM 0 HB3 ASN A 400 4.523 -14.425 0.072 1.00 42.54 H new ATOM 0 HD21 ASN A 400 4.419 -15.268 4.018 1.00 23.35 H new ATOM 0 HD22 ASN A 400 5.024 -13.728 3.398 1.00 23.35 H new ATOM 937 N LEU A 401 7.241 -12.729 -1.089 1.00 64.51 N ATOM 938 CA LEU A 401 7.564 -12.230 -2.425 1.00 4.21 C ATOM 939 C LEU A 401 8.695 -13.041 -3.045 1.00 30.31 C ATOM 940 O LEU A 401 8.624 -13.433 -4.193 1.00 53.41 O ATOM 941 CB LEU A 401 7.919 -10.723 -2.389 1.00 35.01 C ATOM 942 CG LEU A 401 6.760 -9.758 -2.076 1.00 45.15 C ATOM 943 CD1 LEU A 401 7.265 -8.332 -1.907 1.00 4.15 C ATOM 944 CD2 LEU A 401 5.741 -9.795 -3.196 1.00 33.55 C ATOM 0 H LEU A 401 7.339 -12.038 -0.345 1.00 64.51 H new ATOM 0 HA LEU A 401 6.679 -12.347 -3.050 1.00 4.21 H new ATOM 0 HB2 LEU A 401 8.700 -10.573 -1.644 1.00 35.01 H new ATOM 0 HB3 LEU A 401 8.343 -10.448 -3.355 1.00 35.01 H new ATOM 0 HG LEU A 401 6.298 -10.079 -1.142 1.00 45.15 H new ATOM 0 HD11 LEU A 401 6.426 -7.672 -1.687 1.00 4.15 H new ATOM 0 HD12 LEU A 401 7.981 -8.294 -1.086 1.00 4.15 H new ATOM 0 HD13 LEU A 401 7.751 -8.007 -2.827 1.00 4.15 H new ATOM 0 HD21 LEU A 401 4.924 -9.110 -2.968 1.00 33.55 H new ATOM 0 HD22 LEU A 401 6.216 -9.495 -4.130 1.00 33.55 H new ATOM 0 HD23 LEU A 401 5.348 -10.807 -3.297 1.00 33.55 H new ATOM 1257 N TRP A 421 7.070 -3.553 -8.460 1.00 11.34 N ATOM 1258 CA TRP A 421 6.808 -4.905 -8.820 1.00 53.34 C ATOM 1259 C TRP A 421 5.326 -5.035 -9.135 1.00 12.31 C ATOM 1260 O TRP A 421 4.494 -4.422 -8.463 1.00 71.50 O ATOM 1261 CB TRP A 421 7.332 -5.953 -7.770 1.00 43.23 C ATOM 1262 CG TRP A 421 6.617 -6.045 -6.487 1.00 32.42 C ATOM 1263 CD1 TRP A 421 6.981 -5.505 -5.300 1.00 35.21 C ATOM 1264 CD2 TRP A 421 5.415 -6.767 -6.256 1.00 51.44 C ATOM 1265 NE1 TRP A 421 6.083 -5.867 -4.345 1.00 15.03 N ATOM 1266 CE2 TRP A 421 5.104 -6.634 -4.921 1.00 34.22 C ATOM 1267 CE3 TRP A 421 4.574 -7.513 -7.071 1.00 11.55 C ATOM 1268 CZ2 TRP A 421 3.985 -7.222 -4.367 1.00 4.32 C ATOM 1269 CZ3 TRP A 421 3.467 -8.093 -6.530 1.00 25.42 C ATOM 1270 CH2 TRP A 421 3.176 -7.948 -5.190 1.00 63.32 C ATOM 0 HA TRP A 421 7.381 -5.153 -9.713 1.00 53.34 H new ATOM 0 HB2 TRP A 421 7.311 -6.937 -8.238 1.00 43.23 H new ATOM 0 HB3 TRP A 421 8.376 -5.723 -7.558 1.00 43.23 H new ATOM 0 HD1 TRP A 421 7.849 -4.884 -5.137 1.00 35.21 H new ATOM 0 HE1 TRP A 421 6.130 -5.609 -3.359 1.00 15.03 H new ATOM 0 HE3 TRP A 421 4.795 -7.632 -8.121 1.00 11.55 H new ATOM 0 HZ2 TRP A 421 3.758 -7.111 -3.317 1.00 4.32 H new ATOM 0 HZ3 TRP A 421 2.809 -8.674 -7.159 1.00 25.42 H new ATOM 0 HH2 TRP A 421 2.292 -8.418 -4.785 1.00 63.32 H new ATOM 1281 N VAL A 422 5.002 -5.752 -10.187 1.00 14.31 N ATOM 1282 CA VAL A 422 3.616 -5.943 -10.586 1.00 1.22 C ATOM 1283 C VAL A 422 3.315 -7.417 -10.698 1.00 2.53 C ATOM 1284 O VAL A 422 4.228 -8.222 -10.886 1.00 73.15 O ATOM 1285 CB VAL A 422 3.260 -5.225 -11.928 1.00 71.22 C ATOM 1286 CG1 VAL A 422 3.378 -3.720 -11.782 1.00 14.40 C ATOM 1287 CG2 VAL A 422 4.141 -5.714 -13.074 1.00 61.41 C ATOM 0 H VAL A 422 5.681 -6.218 -10.789 1.00 14.31 H new ATOM 0 HA VAL A 422 2.998 -5.489 -9.812 1.00 1.22 H new ATOM 0 HB VAL A 422 2.226 -5.474 -12.167 1.00 71.22 H new ATOM 0 HG11 VAL A 422 3.126 -3.242 -12.728 1.00 14.40 H new ATOM 0 HG12 VAL A 422 2.694 -3.375 -11.007 1.00 14.40 H new ATOM 0 HG13 VAL A 422 4.400 -3.460 -11.505 1.00 14.40 H new ATOM 0 HG21 VAL A 422 3.866 -5.194 -13.992 1.00 61.41 H new ATOM 0 HG22 VAL A 422 5.186 -5.511 -12.841 1.00 61.41 H new ATOM 0 HG23 VAL A 422 4.001 -6.786 -13.209 1.00 61.41 H new ATOM 1297 N ILE A 423 2.058 -7.779 -10.607 1.00 43.13 N ATOM 1298 CA ILE A 423 1.702 -9.173 -10.630 1.00 22.55 C ATOM 1299 C ILE A 423 1.621 -9.674 -12.065 1.00 22.34 C ATOM 1300 O ILE A 423 0.918 -9.101 -12.908 1.00 3.25 O ATOM 1301 CB ILE A 423 0.360 -9.460 -9.886 1.00 10.43 C ATOM 1302 CG1 ILE A 423 0.430 -8.944 -8.440 1.00 43.23 C ATOM 1303 CG2 ILE A 423 0.071 -10.966 -9.886 1.00 62.32 C ATOM 1304 CD1 ILE A 423 -0.838 -9.161 -7.634 1.00 23.33 C ATOM 0 H ILE A 423 1.273 -7.134 -10.517 1.00 43.13 H new ATOM 0 HA ILE A 423 2.487 -9.711 -10.099 1.00 22.55 H new ATOM 0 HB ILE A 423 -0.444 -8.941 -10.407 1.00 10.43 H new ATOM 0 HG12 ILE A 423 1.258 -9.437 -7.931 1.00 43.23 H new ATOM 0 HG13 ILE A 423 0.656 -7.878 -8.458 1.00 43.23 H new ATOM 0 HG21 ILE A 423 -0.867 -11.156 -9.365 1.00 62.32 H new ATOM 0 HG22 ILE A 423 -0.006 -11.322 -10.913 1.00 62.32 H new ATOM 0 HG23 ILE A 423 0.881 -11.492 -9.380 1.00 62.32 H new ATOM 0 HD11 ILE A 423 -0.701 -8.767 -6.627 1.00 23.33 H new ATOM 0 HD12 ILE A 423 -1.668 -8.644 -8.116 1.00 23.33 H new ATOM 0 HD13 ILE A 423 -1.057 -10.227 -7.580 1.00 23.33 H new