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 -74:sc= 0.0812 USER MOD Set 1.2: A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 342 ASN : amide:sc= -0.0125 X(o=-0.012,f=0.3) USER MOD Single : A 348 SER OG : rot 180:sc= -0.0314 USER MOD Single : A 349 TYR OH : rot 30:sc= -0.243 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+ -153:sc= -1.77! (180deg=-3.1!) USER MOD Single : A 359 SER OG : rot -68:sc= 1.29 USER MOD Single : A 360 THR OG1 : rot -129:sc= 0.91 USER MOD Single : A 365 MET CE :methyl -132:sc= -1.07 (180deg=-3.51!) USER MOD Single : A 368 ASN : amide:sc= -0.0262 K(o=-0.026,f=-4.4!) USER MOD Single : A 371 TYR OH : rot -38:sc= 0.138 USER MOD Single : A 372 ASN : amide:sc= -0.0503 K(o=-0.05,f=-0.58) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 377 ASN : amide:sc= -1.35 K(o=-1.3,f=-0.0041) USER MOD Single : A 380 TYR OH : rot 151:sc= 0 USER MOD Single : A 383 ASN : amide:sc= 1.11 K(o=1.1,f=-0.066) 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= -0.159 K(o=-0.16,f=-4!) USER MOD Single : A 389 GLN : amide:sc= -1.38! K(o=-1.4!,f=0) USER MOD Single : A 395 ASN : amide:sc= 1.21 K(o=1.2,f=-0.13) USER MOD Single : A 396 SER OG : rot 180:sc= 0 USER MOD Single : A 399 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 400 ASN : amide:sc= 0.0201 K(o=0.02,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -1.331 -15.297 10.870 1.00 42.54 N ATOM 2 CA ASN A 342 -0.989 -14.098 10.111 1.00 31.44 C ATOM 3 C ASN A 342 -1.091 -12.912 11.039 1.00 41.01 C ATOM 4 O ASN A 342 -1.972 -12.882 11.887 1.00 22.14 O ATOM 5 CB ASN A 342 -1.930 -13.905 8.912 1.00 3.41 C ATOM 6 CG ASN A 342 -1.951 -15.089 7.963 1.00 14.43 C ATOM 7 OD1 ASN A 342 -1.146 -15.176 7.038 1.00 24.12 O ATOM 8 ND2 ASN A 342 -2.890 -15.990 8.164 1.00 11.10 N ATOM 0 HA ASN A 342 0.023 -14.198 9.719 1.00 31.44 H new ATOM 0 HB2 ASN A 342 -2.941 -13.725 9.279 1.00 3.41 H new ATOM 0 HB3 ASN A 342 -1.627 -13.014 8.362 1.00 3.41 H new ATOM 0 HD21 ASN A 342 -2.967 -16.794 7.541 1.00 11.10 H new ATOM 0 HD22 ASN A 342 -3.540 -15.884 8.943 1.00 11.10 H new ATOM 17 N PRO A 343 -0.203 -11.912 10.893 1.00 14.15 N ATOM 18 CA PRO A 343 -0.144 -10.750 11.806 1.00 30.30 C ATOM 19 C PRO A 343 -1.440 -9.920 11.849 1.00 24.32 C ATOM 20 O PRO A 343 -1.817 -9.411 12.894 1.00 34.13 O ATOM 21 CB PRO A 343 1.021 -9.910 11.248 1.00 73.14 C ATOM 22 CG PRO A 343 1.192 -10.374 9.840 1.00 33.20 C ATOM 23 CD PRO A 343 0.824 -11.826 9.839 1.00 40.14 C ATOM 0 HA PRO A 343 -0.008 -11.074 12.838 1.00 30.30 H new ATOM 0 HB2 PRO A 343 0.794 -8.845 11.288 1.00 73.14 H new ATOM 0 HB3 PRO A 343 1.931 -10.064 11.827 1.00 73.14 H new ATOM 0 HG2 PRO A 343 0.553 -9.809 9.162 1.00 33.20 H new ATOM 0 HG3 PRO A 343 2.219 -10.231 9.504 1.00 33.20 H new ATOM 0 HD2 PRO A 343 0.436 -12.143 8.871 1.00 40.14 H new ATOM 0 HD3 PRO A 343 1.683 -12.460 10.061 1.00 40.14 H new ATOM 31 N TRP A 344 -2.099 -9.806 10.725 1.00 10.52 N ATOM 32 CA TRP A 344 -3.322 -9.012 10.602 1.00 14.23 C ATOM 33 C TRP A 344 -4.587 -9.779 11.030 1.00 45.53 C ATOM 34 O TRP A 344 -5.527 -9.188 11.563 1.00 11.23 O ATOM 35 CB TRP A 344 -3.459 -8.522 9.157 1.00 54.34 C ATOM 36 CG TRP A 344 -3.255 -9.620 8.154 1.00 1.21 C ATOM 37 CD1 TRP A 344 -4.133 -10.599 7.812 1.00 73.54 C ATOM 38 CD2 TRP A 344 -2.097 -9.840 7.348 1.00 61.15 C ATOM 39 NE1 TRP A 344 -3.571 -11.422 6.900 1.00 71.11 N ATOM 40 CE2 TRP A 344 -2.340 -10.974 6.588 1.00 44.40 C ATOM 41 CE3 TRP A 344 -0.881 -9.196 7.202 1.00 45.15 C ATOM 42 CZ2 TRP A 344 -1.427 -11.471 5.709 1.00 51.11 C ATOM 43 CZ3 TRP A 344 0.027 -9.698 6.316 1.00 44.10 C ATOM 44 CH2 TRP A 344 -0.259 -10.826 5.582 1.00 54.40 C ATOM 0 H TRP A 344 -1.811 -10.259 9.857 1.00 10.52 H new ATOM 0 HA TRP A 344 -3.234 -8.166 11.284 1.00 14.23 H new ATOM 0 HB2 TRP A 344 -4.448 -8.086 9.017 1.00 54.34 H new ATOM 0 HB3 TRP A 344 -2.733 -7.729 8.975 1.00 54.34 H new ATOM 0 HD1 TRP A 344 -5.132 -10.704 8.210 1.00 73.54 H new ATOM 0 HE1 TRP A 344 -4.011 -12.254 6.508 1.00 71.11 H new ATOM 0 HE3 TRP A 344 -0.655 -8.312 7.779 1.00 45.15 H new ATOM 0 HZ2 TRP A 344 -1.638 -12.359 5.131 1.00 51.11 H new ATOM 0 HZ3 TRP A 344 0.980 -9.205 6.190 1.00 44.10 H new ATOM 0 HH2 TRP A 344 0.476 -11.201 4.886 1.00 54.40 H new ATOM 55 N GLY A 345 -4.602 -11.077 10.809 1.00 41.50 N ATOM 56 CA GLY A 345 -5.785 -11.847 11.101 1.00 31.41 C ATOM 57 C GLY A 345 -5.785 -13.189 10.397 1.00 45.02 C ATOM 58 O GLY A 345 -4.763 -13.884 10.388 1.00 74.34 O ATOM 0 H GLY A 345 -3.819 -11.612 10.433 1.00 41.50 H new ATOM 0 HA2 GLY A 345 -5.858 -12.004 12.177 1.00 31.41 H new ATOM 0 HA3 GLY A 345 -6.667 -11.282 10.801 1.00 31.41 H new ATOM 62 N ALA A 346 -6.903 -13.546 9.786 1.00 34.15 N ATOM 63 CA ALA A 346 -7.038 -14.862 9.158 1.00 41.12 C ATOM 64 C ALA A 346 -6.797 -14.845 7.648 1.00 45.53 C ATOM 65 O ALA A 346 -6.646 -15.903 7.035 1.00 1.32 O ATOM 66 CB ALA A 346 -8.387 -15.471 9.470 1.00 74.15 C ATOM 0 H ALA A 346 -7.728 -12.952 9.708 1.00 34.15 H new ATOM 0 HA ALA A 346 -6.252 -15.483 9.589 1.00 41.12 H new ATOM 0 HB1 ALA A 346 -8.464 -16.448 8.993 1.00 74.15 H new ATOM 0 HB2 ALA A 346 -8.494 -15.584 10.549 1.00 74.15 H new ATOM 0 HB3 ALA A 346 -9.176 -14.820 9.093 1.00 74.15 H new ATOM 72 N GLU A 347 -6.797 -13.668 7.044 1.00 14.23 N ATOM 73 CA GLU A 347 -6.501 -13.532 5.615 1.00 2.04 C ATOM 74 C GLU A 347 -5.045 -13.887 5.383 1.00 32.20 C ATOM 75 O GLU A 347 -4.271 -13.921 6.328 1.00 50.42 O ATOM 76 CB GLU A 347 -6.778 -12.092 5.126 1.00 21.43 C ATOM 77 CG GLU A 347 -8.249 -11.653 5.167 1.00 35.04 C ATOM 78 CD GLU A 347 -8.850 -11.637 6.551 1.00 54.14 C ATOM 79 OE1 GLU A 347 -8.648 -10.664 7.282 1.00 55.22 O ATOM 80 OE2 GLU A 347 -9.518 -12.611 6.935 1.00 11.43 O ATOM 0 H GLU A 347 -6.998 -12.787 7.517 1.00 14.23 H new ATOM 0 HA GLU A 347 -7.146 -14.206 5.051 1.00 2.04 H new ATOM 0 HB2 GLU A 347 -6.194 -11.401 5.734 1.00 21.43 H new ATOM 0 HB3 GLU A 347 -6.417 -11.999 4.102 1.00 21.43 H new ATOM 0 HG2 GLU A 347 -8.331 -10.655 4.736 1.00 35.04 H new ATOM 0 HG3 GLU A 347 -8.834 -12.322 4.536 1.00 35.04 H new ATOM 87 N SER A 348 -4.655 -14.130 4.173 1.00 50.25 N ATOM 88 CA SER A 348 -3.298 -14.484 3.933 1.00 4.14 C ATOM 89 C SER A 348 -2.603 -13.310 3.279 1.00 53.44 C ATOM 90 O SER A 348 -3.253 -12.307 2.925 1.00 24.45 O ATOM 91 CB SER A 348 -3.193 -15.756 3.066 1.00 32.05 C ATOM 92 OG SER A 348 -1.851 -16.235 3.000 1.00 44.34 O ATOM 0 H SER A 348 -5.251 -14.090 3.346 1.00 50.25 H new ATOM 0 HA SER A 348 -2.809 -14.714 4.880 1.00 4.14 H new ATOM 0 HB2 SER A 348 -3.838 -16.532 3.478 1.00 32.05 H new ATOM 0 HB3 SER A 348 -3.554 -15.543 2.060 1.00 32.05 H new ATOM 0 HG SER A 348 -1.819 -17.042 2.445 1.00 44.34 H new ATOM 98 N TYR A 349 -1.306 -13.422 3.142 1.00 11.11 N ATOM 99 CA TYR A 349 -0.474 -12.390 2.588 1.00 21.44 C ATOM 100 C TYR A 349 -0.926 -12.013 1.218 1.00 53.43 C ATOM 101 O TYR A 349 -1.334 -10.897 1.011 1.00 2.42 O ATOM 102 CB TYR A 349 1.005 -12.819 2.579 1.00 73.21 C ATOM 103 CG TYR A 349 1.606 -13.001 3.954 1.00 72.01 C ATOM 104 CD1 TYR A 349 1.304 -14.110 4.735 1.00 45.32 C ATOM 105 CD2 TYR A 349 2.465 -12.046 4.482 1.00 52.35 C ATOM 106 CE1 TYR A 349 1.840 -14.260 5.993 1.00 5.13 C ATOM 107 CE2 TYR A 349 3.000 -12.194 5.741 1.00 55.20 C ATOM 108 CZ TYR A 349 2.685 -13.302 6.491 1.00 74.31 C ATOM 109 OH TYR A 349 3.223 -13.456 7.755 1.00 55.23 O ATOM 0 H TYR A 349 -0.789 -14.256 3.421 1.00 11.11 H new ATOM 0 HA TYR A 349 -0.566 -11.510 3.225 1.00 21.44 H new ATOM 0 HB2 TYR A 349 1.097 -13.755 2.028 1.00 73.21 H new ATOM 0 HB3 TYR A 349 1.585 -12.072 2.037 1.00 73.21 H new ATOM 0 HD1 TYR A 349 0.638 -14.867 4.348 1.00 45.32 H new ATOM 0 HD2 TYR A 349 2.717 -11.175 3.896 1.00 52.35 H new ATOM 0 HE1 TYR A 349 1.596 -15.129 6.586 1.00 5.13 H new ATOM 0 HE2 TYR A 349 3.665 -11.442 6.139 1.00 55.20 H new ATOM 0 HH TYR A 349 3.320 -14.410 7.955 1.00 55.23 H new ATOM 119 N SER A 350 -0.905 -12.957 0.305 1.00 43.34 N ATOM 120 CA SER A 350 -1.253 -12.699 -1.082 1.00 34.21 C ATOM 121 C SER A 350 -2.671 -12.114 -1.232 1.00 53.13 C ATOM 122 O SER A 350 -2.929 -11.343 -2.159 1.00 33.43 O ATOM 123 CB SER A 350 -1.082 -13.952 -1.910 1.00 51.31 C ATOM 124 OG SER A 350 0.238 -14.464 -1.772 1.00 24.23 O ATOM 0 H SER A 350 -0.647 -13.925 0.498 1.00 43.34 H new ATOM 0 HA SER A 350 -0.566 -11.940 -1.457 1.00 34.21 H new ATOM 0 HB2 SER A 350 -1.805 -14.704 -1.595 1.00 51.31 H new ATOM 0 HB3 SER A 350 -1.286 -13.733 -2.958 1.00 51.31 H new ATOM 0 HG SER A 350 0.332 -15.276 -2.313 1.00 24.23 H new ATOM 130 N ASP A 351 -3.574 -12.474 -0.305 1.00 70.31 N ATOM 131 CA ASP A 351 -4.933 -11.916 -0.286 1.00 2.21 C ATOM 132 C ASP A 351 -4.866 -10.426 -0.103 1.00 43.32 C ATOM 133 O ASP A 351 -5.426 -9.660 -0.889 1.00 62.22 O ATOM 134 CB ASP A 351 -5.768 -12.505 0.873 1.00 44.22 C ATOM 135 CG ASP A 351 -6.101 -13.953 0.717 1.00 33.12 C ATOM 136 OD1 ASP A 351 -5.274 -14.800 1.066 1.00 52.35 O ATOM 137 OD2 ASP A 351 -7.214 -14.267 0.278 1.00 12.01 O ATOM 0 H ASP A 351 -3.387 -13.147 0.438 1.00 70.31 H new ATOM 0 HA ASP A 351 -5.407 -12.170 -1.234 1.00 2.21 H new ATOM 0 HB2 ASP A 351 -5.220 -12.369 1.806 1.00 44.22 H new ATOM 0 HB3 ASP A 351 -6.695 -11.939 0.962 1.00 44.22 H new ATOM 142 N LEU A 352 -4.162 -10.009 0.926 1.00 41.42 N ATOM 143 CA LEU A 352 -4.038 -8.613 1.221 1.00 31.43 C ATOM 144 C LEU A 352 -3.049 -7.886 0.302 1.00 32.52 C ATOM 145 O LEU A 352 -3.281 -6.734 -0.058 1.00 10.11 O ATOM 146 CB LEU A 352 -3.681 -8.398 2.665 1.00 41.05 C ATOM 147 CG LEU A 352 -4.693 -8.848 3.715 1.00 2.22 C ATOM 148 CD1 LEU A 352 -4.203 -8.436 5.058 1.00 24.52 C ATOM 149 CD2 LEU A 352 -6.067 -8.264 3.447 1.00 25.01 C ATOM 0 H LEU A 352 -3.667 -10.626 1.571 1.00 41.42 H new ATOM 0 HA LEU A 352 -5.017 -8.173 1.030 1.00 31.43 H new ATOM 0 HB2 LEU A 352 -2.741 -8.915 2.860 1.00 41.05 H new ATOM 0 HB3 LEU A 352 -3.495 -7.334 2.811 1.00 41.05 H new ATOM 0 HG LEU A 352 -4.791 -9.933 3.672 1.00 2.22 H new ATOM 0 HD11 LEU A 352 -4.917 -8.752 5.818 1.00 24.52 H new ATOM 0 HD12 LEU A 352 -3.237 -8.902 5.252 1.00 24.52 H new ATOM 0 HD13 LEU A 352 -4.095 -7.352 5.089 1.00 24.52 H new ATOM 0 HD21 LEU A 352 -6.763 -8.605 4.213 1.00 25.01 H new ATOM 0 HD22 LEU A 352 -6.010 -7.176 3.467 1.00 25.01 H new ATOM 0 HD23 LEU A 352 -6.417 -8.591 2.468 1.00 25.01 H new ATOM 161 N ILE A 353 -1.960 -8.558 -0.077 1.00 20.23 N ATOM 162 CA ILE A 353 -0.955 -7.973 -0.978 1.00 35.22 C ATOM 163 C ILE A 353 -1.612 -7.567 -2.284 1.00 41.24 C ATOM 164 O ILE A 353 -1.362 -6.480 -2.807 1.00 33.35 O ATOM 165 CB ILE A 353 0.219 -8.959 -1.285 1.00 11.30 C ATOM 166 CG1 ILE A 353 0.980 -9.330 -0.008 1.00 61.33 C ATOM 167 CG2 ILE A 353 1.180 -8.342 -2.288 1.00 34.34 C ATOM 168 CD1 ILE A 353 2.004 -10.439 -0.206 1.00 70.14 C ATOM 0 H ILE A 353 -1.748 -9.509 0.224 1.00 20.23 H new ATOM 0 HA ILE A 353 -0.538 -7.104 -0.470 1.00 35.22 H new ATOM 0 HB ILE A 353 -0.213 -9.866 -1.707 1.00 11.30 H new ATOM 0 HG12 ILE A 353 1.487 -8.443 0.373 1.00 61.33 H new ATOM 0 HG13 ILE A 353 0.265 -9.640 0.754 1.00 61.33 H new ATOM 0 HG21 ILE A 353 1.992 -9.041 -2.491 1.00 34.34 H new ATOM 0 HG22 ILE A 353 0.649 -8.124 -3.214 1.00 34.34 H new ATOM 0 HG23 ILE A 353 1.590 -7.419 -1.879 1.00 34.34 H new ATOM 0 HD11 ILE A 353 2.503 -10.647 0.741 1.00 70.14 H new ATOM 0 HD12 ILE A 353 1.501 -11.340 -0.557 1.00 70.14 H new ATOM 0 HD13 ILE A 353 2.742 -10.125 -0.944 1.00 70.14 H new ATOM 180 N ALA A 354 -2.475 -8.438 -2.797 1.00 20.54 N ATOM 181 CA ALA A 354 -3.184 -8.146 -4.022 1.00 23.41 C ATOM 182 C ALA A 354 -4.062 -6.922 -3.857 1.00 12.22 C ATOM 183 O ALA A 354 -4.119 -6.095 -4.744 1.00 63.31 O ATOM 184 CB ALA A 354 -3.993 -9.335 -4.508 1.00 72.30 C ATOM 0 H ALA A 354 -2.694 -9.343 -2.382 1.00 20.54 H new ATOM 0 HA ALA A 354 -2.437 -7.933 -4.787 1.00 23.41 H new ATOM 0 HB1 ALA A 354 -4.509 -9.071 -5.431 1.00 72.30 H new ATOM 0 HB2 ALA A 354 -3.326 -10.177 -4.693 1.00 72.30 H new ATOM 0 HB3 ALA A 354 -4.725 -9.612 -3.749 1.00 72.30 H new ATOM 190 N LYS A 355 -4.721 -6.794 -2.693 1.00 11.55 N ATOM 191 CA LYS A 355 -5.569 -5.626 -2.425 1.00 51.34 C ATOM 192 C LYS A 355 -4.742 -4.361 -2.443 1.00 31.14 C ATOM 193 O LYS A 355 -5.198 -3.317 -2.932 1.00 22.44 O ATOM 194 CB LYS A 355 -6.245 -5.688 -1.071 1.00 74.13 C ATOM 195 CG LYS A 355 -7.153 -6.861 -0.802 1.00 23.40 C ATOM 196 CD LYS A 355 -7.795 -6.702 0.572 1.00 21.31 C ATOM 197 CE LYS A 355 -8.753 -5.517 0.602 1.00 4.14 C ATOM 198 NZ LYS A 355 -9.328 -5.276 1.939 1.00 71.20 N ATOM 0 H LYS A 355 -4.683 -7.475 -1.935 1.00 11.55 H new ATOM 0 HA LYS A 355 -6.328 -5.626 -3.207 1.00 51.34 H new ATOM 0 HB2 LYS A 355 -5.468 -5.681 -0.306 1.00 74.13 H new ATOM 0 HB3 LYS A 355 -6.827 -4.775 -0.943 1.00 74.13 H new ATOM 0 HG2 LYS A 355 -7.924 -6.922 -1.570 1.00 23.40 H new ATOM 0 HG3 LYS A 355 -6.586 -7.791 -0.845 1.00 23.40 H new ATOM 0 HD2 LYS A 355 -8.333 -7.614 0.832 1.00 21.31 H new ATOM 0 HD3 LYS A 355 -7.019 -6.564 1.325 1.00 21.31 H new ATOM 0 HE2 LYS A 355 -8.226 -4.622 0.272 1.00 4.14 H new ATOM 0 HE3 LYS A 355 -9.561 -5.691 -0.109 1.00 4.14 H new ATOM 0 HZ1 LYS A 355 -9.971 -4.459 1.898 1.00 71.20 H new ATOM 0 HZ2 LYS A 355 -9.856 -6.117 2.247 1.00 71.20 H new ATOM 0 HZ3 LYS A 355 -8.563 -5.081 2.616 1.00 71.20 H new ATOM 212 N ALA A 356 -3.535 -4.451 -1.887 1.00 1.01 N ATOM 213 CA ALA A 356 -2.629 -3.325 -1.850 1.00 32.35 C ATOM 214 C ALA A 356 -2.317 -2.896 -3.248 1.00 51.12 C ATOM 215 O ALA A 356 -2.523 -1.734 -3.604 1.00 5.23 O ATOM 216 CB ALA A 356 -1.356 -3.665 -1.082 1.00 61.44 C ATOM 0 H ALA A 356 -3.169 -5.300 -1.456 1.00 1.01 H new ATOM 0 HA ALA A 356 -3.109 -2.501 -1.323 1.00 32.35 H new ATOM 0 HB1 ALA A 356 -0.695 -2.798 -1.072 1.00 61.44 H new ATOM 0 HB2 ALA A 356 -1.611 -3.939 -0.058 1.00 61.44 H new ATOM 0 HB3 ALA A 356 -0.851 -4.501 -1.566 1.00 61.44 H new ATOM 222 N LEU A 357 -1.883 -3.849 -4.059 1.00 72.43 N ATOM 223 CA LEU A 357 -1.604 -3.600 -5.466 1.00 61.02 C ATOM 224 C LEU A 357 -2.825 -3.015 -6.154 1.00 53.55 C ATOM 225 O LEU A 357 -2.711 -2.117 -6.968 1.00 74.21 O ATOM 226 CB LEU A 357 -1.185 -4.898 -6.190 1.00 72.14 C ATOM 227 CG LEU A 357 0.302 -5.261 -6.207 1.00 75.35 C ATOM 228 CD1 LEU A 357 1.055 -4.285 -7.096 1.00 24.10 C ATOM 229 CD2 LEU A 357 0.888 -5.255 -4.807 1.00 74.03 C ATOM 0 H LEU A 357 -1.715 -4.811 -3.763 1.00 72.43 H new ATOM 0 HA LEU A 357 -0.780 -2.888 -5.517 1.00 61.02 H new ATOM 0 HB2 LEU A 357 -1.726 -5.726 -5.732 1.00 72.14 H new ATOM 0 HB3 LEU A 357 -1.524 -4.829 -7.224 1.00 72.14 H new ATOM 0 HG LEU A 357 0.405 -6.270 -6.605 1.00 75.35 H new ATOM 0 HD11 LEU A 357 2.113 -4.545 -7.107 1.00 24.10 H new ATOM 0 HD12 LEU A 357 0.658 -4.336 -8.110 1.00 24.10 H new ATOM 0 HD13 LEU A 357 0.934 -3.273 -6.710 1.00 24.10 H new ATOM 0 HD21 LEU A 357 1.945 -5.517 -4.854 1.00 74.03 H new ATOM 0 HD22 LEU A 357 0.779 -4.262 -4.371 1.00 74.03 H new ATOM 0 HD23 LEU A 357 0.361 -5.982 -4.189 1.00 74.03 H new ATOM 241 N LYS A 358 -4.006 -3.517 -5.787 1.00 25.23 N ATOM 242 CA LYS A 358 -5.248 -3.075 -6.362 1.00 42.33 C ATOM 243 C LYS A 358 -5.590 -1.596 -6.123 1.00 73.55 C ATOM 244 O LYS A 358 -6.528 -1.080 -6.730 1.00 34.55 O ATOM 245 CB LYS A 358 -6.420 -3.973 -5.991 1.00 54.24 C ATOM 246 CG LYS A 358 -6.331 -5.372 -6.582 1.00 1.22 C ATOM 247 CD LYS A 358 -7.571 -6.230 -6.308 1.00 44.45 C ATOM 248 CE LYS A 358 -8.803 -5.848 -7.163 1.00 75.32 C ATOM 249 NZ LYS A 358 -9.323 -4.477 -6.938 1.00 22.23 N ATOM 0 H LYS A 358 -4.113 -4.243 -5.079 1.00 25.23 H new ATOM 0 HA LYS A 358 -5.075 -3.163 -7.435 1.00 42.33 H new ATOM 0 HB2 LYS A 358 -6.477 -4.050 -4.905 1.00 54.24 H new ATOM 0 HB3 LYS A 358 -7.345 -3.505 -6.327 1.00 54.24 H new ATOM 0 HG2 LYS A 358 -6.183 -5.294 -7.659 1.00 1.22 H new ATOM 0 HG3 LYS A 358 -5.454 -5.875 -6.175 1.00 1.22 H new ATOM 0 HD2 LYS A 358 -7.324 -7.276 -6.492 1.00 44.45 H new ATOM 0 HD3 LYS A 358 -7.833 -6.145 -5.253 1.00 44.45 H new ATOM 0 HE2 LYS A 358 -8.542 -5.953 -8.216 1.00 75.32 H new ATOM 0 HE3 LYS A 358 -9.602 -6.561 -6.960 1.00 75.32 H new ATOM 0 HZ1 LYS A 358 -10.338 -4.450 -7.161 1.00 22.23 H new ATOM 0 HZ2 LYS A 358 -9.180 -4.210 -5.943 1.00 22.23 H new ATOM 0 HZ3 LYS A 358 -8.816 -3.808 -7.552 1.00 22.23 H new ATOM 263 N SER A 359 -4.853 -0.913 -5.258 1.00 51.12 N ATOM 264 CA SER A 359 -5.102 0.507 -5.058 1.00 12.33 C ATOM 265 C SER A 359 -4.358 1.354 -6.128 1.00 64.10 C ATOM 266 O SER A 359 -4.457 2.589 -6.152 1.00 40.41 O ATOM 267 CB SER A 359 -4.725 0.940 -3.624 1.00 64.34 C ATOM 268 OG SER A 359 -3.347 0.728 -3.346 1.00 34.31 O ATOM 0 H SER A 359 -4.097 -1.306 -4.697 1.00 51.12 H new ATOM 0 HA SER A 359 -6.170 0.687 -5.181 1.00 12.33 H new ATOM 0 HB2 SER A 359 -4.963 1.995 -3.490 1.00 64.34 H new ATOM 0 HB3 SER A 359 -5.329 0.383 -2.907 1.00 64.34 H new ATOM 0 HG SER A 359 -3.165 -0.234 -3.311 1.00 34.31 H new ATOM 274 N THR A 360 -3.630 0.669 -7.006 1.00 73.32 N ATOM 275 CA THR A 360 -2.848 1.292 -8.074 1.00 53.45 C ATOM 276 C THR A 360 -2.580 0.201 -9.146 1.00 62.21 C ATOM 277 O THR A 360 -1.580 0.223 -9.863 1.00 53.41 O ATOM 278 CB THR A 360 -1.498 1.794 -7.465 1.00 31.31 C ATOM 279 OG1 THR A 360 -0.695 2.489 -8.441 1.00 63.32 O ATOM 280 CG2 THR A 360 -0.712 0.623 -6.938 1.00 54.20 C ATOM 0 H THR A 360 -3.565 -0.349 -6.997 1.00 73.32 H new ATOM 0 HA THR A 360 -3.372 2.136 -8.523 1.00 53.45 H new ATOM 0 HB THR A 360 -1.740 2.488 -6.660 1.00 31.31 H new ATOM 0 HG1 THR A 360 0.211 2.115 -8.445 1.00 63.32 H new ATOM 0 HG21 THR A 360 0.228 0.977 -6.514 1.00 54.20 H new ATOM 0 HG22 THR A 360 -1.290 0.115 -6.166 1.00 54.20 H new ATOM 0 HG23 THR A 360 -0.505 -0.072 -7.752 1.00 54.20 H new ATOM 288 N PHE A 361 -3.549 -0.692 -9.293 1.00 61.43 N ATOM 289 CA PHE A 361 -3.406 -1.927 -10.092 1.00 21.41 C ATOM 290 C PHE A 361 -3.244 -1.634 -11.569 1.00 55.55 C ATOM 291 O PHE A 361 -2.823 -2.492 -12.345 1.00 63.03 O ATOM 292 CB PHE A 361 -4.631 -2.786 -9.901 1.00 44.32 C ATOM 293 CG PHE A 361 -4.370 -4.265 -10.001 1.00 64.40 C ATOM 294 CD1 PHE A 361 -3.662 -4.918 -8.999 1.00 73.23 C ATOM 295 CD2 PHE A 361 -4.821 -4.999 -11.076 1.00 51.12 C ATOM 296 CE1 PHE A 361 -3.419 -6.269 -9.069 1.00 0.42 C ATOM 297 CE2 PHE A 361 -4.579 -6.356 -11.152 1.00 24.10 C ATOM 298 CZ PHE A 361 -3.880 -6.993 -10.146 1.00 43.50 C ATOM 0 H PHE A 361 -4.468 -0.590 -8.863 1.00 61.43 H new ATOM 0 HA PHE A 361 -2.509 -2.441 -9.747 1.00 21.41 H new ATOM 0 HB2 PHE A 361 -5.063 -2.570 -8.924 1.00 44.32 H new ATOM 0 HB3 PHE A 361 -5.375 -2.509 -10.647 1.00 44.32 H new ATOM 0 HD1 PHE A 361 -3.297 -4.355 -8.152 1.00 73.23 H new ATOM 0 HD2 PHE A 361 -5.369 -4.508 -11.867 1.00 51.12 H new ATOM 0 HE1 PHE A 361 -2.868 -6.762 -8.281 1.00 0.42 H new ATOM 0 HE2 PHE A 361 -4.937 -6.921 -12.000 1.00 24.10 H new ATOM 0 HZ PHE A 361 -3.695 -8.056 -10.204 1.00 43.50 H new ATOM 308 N ASP A 362 -3.583 -0.440 -11.952 1.00 53.53 N ATOM 309 CA ASP A 362 -3.493 -0.040 -13.349 1.00 0.52 C ATOM 310 C ASP A 362 -2.152 0.569 -13.635 1.00 31.13 C ATOM 311 O ASP A 362 -1.780 0.795 -14.797 1.00 54.43 O ATOM 312 CB ASP A 362 -4.626 0.914 -13.753 1.00 3.43 C ATOM 313 CG ASP A 362 -5.981 0.241 -13.754 1.00 5.30 C ATOM 314 OD1 ASP A 362 -6.316 -0.425 -14.764 1.00 11.42 O ATOM 315 OD2 ASP A 362 -6.728 0.350 -12.748 1.00 31.14 O ATOM 0 H ASP A 362 -3.927 0.286 -11.324 1.00 53.53 H new ATOM 0 HA ASP A 362 -3.605 -0.940 -13.954 1.00 0.52 H new ATOM 0 HB2 ASP A 362 -4.645 1.760 -13.066 1.00 3.43 H new ATOM 0 HB3 ASP A 362 -4.422 1.314 -14.746 1.00 3.43 H new ATOM 320 N GLY A 363 -1.420 0.813 -12.584 1.00 43.40 N ATOM 321 CA GLY A 363 -0.132 1.387 -12.690 1.00 63.02 C ATOM 322 C GLY A 363 0.924 0.457 -12.153 1.00 11.14 C ATOM 323 O GLY A 363 1.280 -0.535 -12.803 1.00 54.04 O ATOM 0 H GLY A 363 -1.714 0.613 -11.628 1.00 43.40 H new ATOM 0 HA2 GLY A 363 0.081 1.619 -13.733 1.00 63.02 H new ATOM 0 HA3 GLY A 363 -0.104 2.329 -12.142 1.00 63.02 H new ATOM 327 N ARG A 364 1.425 0.771 -10.977 1.00 13.10 N ATOM 328 CA ARG A 364 2.466 0.007 -10.335 1.00 21.02 C ATOM 329 C ARG A 364 2.457 0.332 -8.858 1.00 12.30 C ATOM 330 O ARG A 364 1.945 1.400 -8.460 1.00 23.20 O ATOM 331 CB ARG A 364 3.786 0.437 -10.933 1.00 43.11 C ATOM 332 CG ARG A 364 4.059 1.917 -10.732 1.00 42.51 C ATOM 333 CD ARG A 364 5.218 2.416 -11.543 1.00 1.23 C ATOM 334 NE ARG A 364 4.972 2.322 -12.987 1.00 73.30 N ATOM 335 CZ ARG A 364 5.549 3.112 -13.909 1.00 22.35 C ATOM 336 NH1 ARG A 364 6.426 4.046 -13.541 1.00 75.12 N ATOM 337 NH2 ARG A 364 5.239 2.965 -15.192 1.00 64.23 N ATOM 0 H ARG A 364 1.114 1.577 -10.435 1.00 13.10 H new ATOM 0 HA ARG A 364 2.315 -1.063 -10.476 1.00 21.02 H new ATOM 0 HB2 ARG A 364 4.592 -0.143 -10.482 1.00 43.11 H new ATOM 0 HB3 ARG A 364 3.789 0.212 -11.999 1.00 43.11 H new ATOM 0 HG2 ARG A 364 3.167 2.484 -10.997 1.00 42.51 H new ATOM 0 HG3 ARG A 364 4.254 2.104 -9.676 1.00 42.51 H new ATOM 0 HD2 ARG A 364 5.423 3.453 -11.279 1.00 1.23 H new ATOM 0 HD3 ARG A 364 6.109 1.841 -11.291 1.00 1.23 H new ATOM 0 HE ARG A 364 4.319 1.609 -13.313 1.00 73.30 H new ATOM 0 HH11 ARG A 364 6.662 4.164 -12.556 1.00 75.12 H new ATOM 0 HH12 ARG A 364 6.861 4.643 -14.245 1.00 75.12 H new ATOM 0 HH21 ARG A 364 4.565 2.254 -15.476 1.00 64.23 H new ATOM 0 HH22 ARG A 364 5.675 3.563 -15.894 1.00 64.23 H new ATOM 351 N MET A 365 3.001 -0.536 -8.045 1.00 0.34 N ATOM 352 CA MET A 365 3.101 -0.229 -6.649 1.00 62.20 C ATOM 353 C MET A 365 4.501 -0.491 -6.222 1.00 45.54 C ATOM 354 O MET A 365 5.127 -1.462 -6.667 1.00 1.24 O ATOM 355 CB MET A 365 2.143 -1.065 -5.805 1.00 61.42 C ATOM 356 CG MET A 365 1.801 -0.433 -4.487 1.00 11.13 C ATOM 357 SD MET A 365 0.528 -1.305 -3.613 1.00 0.43 S ATOM 358 CE MET A 365 0.193 -0.145 -2.310 1.00 11.35 C ATOM 0 H MET A 365 3.374 -1.444 -8.322 1.00 0.34 H new ATOM 0 HA MET A 365 2.829 0.816 -6.500 1.00 62.20 H new ATOM 0 HB2 MET A 365 1.225 -1.231 -6.369 1.00 61.42 H new ATOM 0 HB3 MET A 365 2.588 -2.043 -5.625 1.00 61.42 H new ATOM 0 HG2 MET A 365 2.697 -0.390 -3.867 1.00 11.13 H new ATOM 0 HG3 MET A 365 1.480 0.595 -4.655 1.00 11.13 H new ATOM 0 HE1 MET A 365 0.176 -0.667 -1.353 1.00 11.35 H new ATOM 0 HE2 MET A 365 0.971 0.618 -2.293 1.00 11.35 H new ATOM 0 HE3 MET A 365 -0.774 0.327 -2.483 1.00 11.35 H new ATOM 368 N ARG A 366 5.009 0.364 -5.415 1.00 34.35 N ATOM 369 CA ARG A 366 6.315 0.195 -4.907 1.00 42.02 C ATOM 370 C ARG A 366 6.290 -0.669 -3.688 1.00 54.43 C ATOM 371 O ARG A 366 5.267 -0.733 -2.991 1.00 61.41 O ATOM 372 CB ARG A 366 6.931 1.514 -4.640 1.00 15.21 C ATOM 373 CG ARG A 366 7.226 2.242 -5.922 1.00 4.24 C ATOM 374 CD ARG A 366 7.727 3.588 -5.639 1.00 63.21 C ATOM 375 NE ARG A 366 6.691 4.405 -5.002 1.00 62.24 N ATOM 376 CZ ARG A 366 6.871 5.606 -4.438 1.00 74.34 C ATOM 377 NH1 ARG A 366 8.095 6.134 -4.346 1.00 32.24 N ATOM 378 NH2 ARG A 366 5.819 6.261 -3.940 1.00 50.21 N ATOM 0 H ARG A 366 4.529 1.202 -5.088 1.00 34.35 H new ATOM 0 HA ARG A 366 6.930 -0.311 -5.651 1.00 42.02 H new ATOM 0 HB2 ARG A 366 6.261 2.114 -4.023 1.00 15.21 H new ATOM 0 HB3 ARG A 366 7.853 1.381 -4.073 1.00 15.21 H new ATOM 0 HG2 ARG A 366 7.963 1.687 -6.502 1.00 4.24 H new ATOM 0 HG3 ARG A 366 6.323 2.303 -6.529 1.00 4.24 H new ATOM 0 HD2 ARG A 366 8.600 3.527 -4.989 1.00 63.21 H new ATOM 0 HD3 ARG A 366 8.052 4.062 -6.565 1.00 63.21 H new ATOM 0 HE ARG A 366 5.745 4.024 -4.987 1.00 62.24 H new ATOM 0 HH11 ARG A 366 8.900 5.622 -4.707 1.00 32.24 H new ATOM 0 HH12 ARG A 366 8.224 7.049 -3.915 1.00 32.24 H new ATOM 0 HH21 ARG A 366 4.889 5.846 -3.991 1.00 50.21 H new ATOM 0 HH22 ARG A 366 5.946 7.176 -3.508 1.00 50.21 H new ATOM 392 N LEU A 367 7.396 -1.332 -3.437 1.00 10.41 N ATOM 393 CA LEU A 367 7.532 -2.297 -2.341 1.00 34.32 C ATOM 394 C LEU A 367 7.088 -1.628 -1.006 1.00 52.32 C ATOM 395 O LEU A 367 6.308 -2.192 -0.231 1.00 44.23 O ATOM 396 CB LEU A 367 9.019 -2.727 -2.256 1.00 3.35 C ATOM 397 CG LEU A 367 9.361 -4.131 -1.681 1.00 5.10 C ATOM 398 CD1 LEU A 367 8.651 -4.432 -0.412 1.00 65.20 C ATOM 399 CD2 LEU A 367 9.134 -5.225 -2.687 1.00 13.44 C ATOM 0 H LEU A 367 8.246 -1.223 -3.990 1.00 10.41 H new ATOM 0 HA LEU A 367 6.905 -3.171 -2.518 1.00 34.32 H new ATOM 0 HB2 LEU A 367 9.437 -2.671 -3.261 1.00 3.35 H new ATOM 0 HB3 LEU A 367 9.543 -1.986 -1.652 1.00 3.35 H new ATOM 0 HG LEU A 367 10.426 -4.096 -1.450 1.00 5.10 H new ATOM 0 HD11 LEU A 367 8.933 -5.426 -0.064 1.00 65.20 H new ATOM 0 HD12 LEU A 367 8.923 -3.693 0.341 1.00 65.20 H new ATOM 0 HD13 LEU A 367 7.575 -4.399 -0.581 1.00 65.20 H new ATOM 0 HD21 LEU A 367 9.386 -6.187 -2.241 1.00 13.44 H new ATOM 0 HD22 LEU A 367 8.087 -5.229 -2.991 1.00 13.44 H new ATOM 0 HD23 LEU A 367 9.764 -5.053 -3.560 1.00 13.44 H new ATOM 411 N ASN A 368 7.559 -0.407 -0.791 1.00 21.54 N ATOM 412 CA ASN A 368 7.258 0.358 0.424 1.00 43.40 C ATOM 413 C ASN A 368 5.796 0.812 0.491 1.00 41.14 C ATOM 414 O ASN A 368 5.228 0.921 1.580 1.00 44.12 O ATOM 415 CB ASN A 368 8.207 1.569 0.599 1.00 10.55 C ATOM 416 CG ASN A 368 8.172 2.574 -0.557 1.00 12.43 C ATOM 417 OD1 ASN A 368 7.956 2.214 -1.718 1.00 2.33 O ATOM 418 ND2 ASN A 368 8.375 3.830 -0.248 1.00 33.41 N ATOM 0 H ASN A 368 8.161 0.086 -1.450 1.00 21.54 H new ATOM 0 HA ASN A 368 7.426 -0.329 1.253 1.00 43.40 H new ATOM 0 HB2 ASN A 368 7.948 2.087 1.522 1.00 10.55 H new ATOM 0 HB3 ASN A 368 9.227 1.202 0.714 1.00 10.55 H new ATOM 0 HD21 ASN A 368 8.357 4.544 -0.976 1.00 33.41 H new ATOM 0 HD22 ASN A 368 8.551 4.095 0.721 1.00 33.41 H new ATOM 425 N GLU A 369 5.181 1.047 -0.656 1.00 4.23 N ATOM 426 CA GLU A 369 3.791 1.501 -0.695 1.00 50.13 C ATOM 427 C GLU A 369 2.864 0.391 -0.262 1.00 42.11 C ATOM 428 O GLU A 369 1.841 0.639 0.384 1.00 24.53 O ATOM 429 CB GLU A 369 3.419 2.014 -2.069 1.00 60.01 C ATOM 430 CG GLU A 369 4.255 3.186 -2.502 1.00 11.23 C ATOM 431 CD GLU A 369 3.888 3.689 -3.861 1.00 11.00 C ATOM 432 OE1 GLU A 369 4.167 2.992 -4.858 1.00 21.43 O ATOM 433 OE2 GLU A 369 3.381 4.818 -3.964 1.00 33.13 O ATOM 0 H GLU A 369 5.616 0.933 -1.572 1.00 4.23 H new ATOM 0 HA GLU A 369 3.685 2.331 0.003 1.00 50.13 H new ATOM 0 HB2 GLU A 369 3.529 1.208 -2.794 1.00 60.01 H new ATOM 0 HB3 GLU A 369 2.368 2.303 -2.071 1.00 60.01 H new ATOM 0 HG2 GLU A 369 4.143 3.993 -1.778 1.00 11.23 H new ATOM 0 HG3 GLU A 369 5.306 2.898 -2.498 1.00 11.23 H new ATOM 440 N ILE A 370 3.213 -0.829 -0.639 1.00 35.31 N ATOM 441 CA ILE A 370 2.524 -2.022 -0.166 1.00 62.45 C ATOM 442 C ILE A 370 2.485 -2.034 1.359 1.00 44.24 C ATOM 443 O ILE A 370 1.436 -2.243 1.956 1.00 41.33 O ATOM 444 CB ILE A 370 3.245 -3.275 -0.698 1.00 1.13 C ATOM 445 CG1 ILE A 370 3.112 -3.307 -2.216 1.00 24.51 C ATOM 446 CG2 ILE A 370 2.716 -4.582 -0.063 1.00 33.34 C ATOM 447 CD1 ILE A 370 3.913 -4.373 -2.849 1.00 71.42 C ATOM 0 H ILE A 370 3.982 -1.021 -1.281 1.00 35.31 H new ATOM 0 HA ILE A 370 1.498 -2.019 -0.535 1.00 62.45 H new ATOM 0 HB ILE A 370 4.296 -3.213 -0.417 1.00 1.13 H new ATOM 0 HG12 ILE A 370 2.063 -3.445 -2.479 1.00 24.51 H new ATOM 0 HG13 ILE A 370 3.418 -2.343 -2.621 1.00 24.51 H new ATOM 0 HG21 ILE A 370 3.260 -5.432 -0.475 1.00 33.34 H new ATOM 0 HG22 ILE A 370 2.861 -4.547 1.017 1.00 33.34 H new ATOM 0 HG23 ILE A 370 1.654 -4.689 -0.283 1.00 33.34 H new ATOM 0 HD11 ILE A 370 3.773 -4.340 -3.929 1.00 71.42 H new ATOM 0 HD12 ILE A 370 4.967 -4.224 -2.615 1.00 71.42 H new ATOM 0 HD13 ILE A 370 3.591 -5.343 -2.471 1.00 71.42 H new ATOM 459 N TYR A 371 3.624 -1.756 1.982 1.00 65.04 N ATOM 460 CA TYR A 371 3.690 -1.689 3.438 1.00 43.35 C ATOM 461 C TYR A 371 2.797 -0.573 3.980 1.00 71.32 C ATOM 462 O TYR A 371 2.112 -0.742 4.996 1.00 13.42 O ATOM 463 CB TYR A 371 5.121 -1.504 3.930 1.00 63.45 C ATOM 464 CG TYR A 371 6.066 -2.614 3.553 1.00 22.44 C ATOM 465 CD1 TYR A 371 5.713 -3.941 3.726 1.00 42.23 C ATOM 466 CD2 TYR A 371 7.314 -2.334 3.024 1.00 42.31 C ATOM 467 CE1 TYR A 371 6.573 -4.946 3.389 1.00 74.52 C ATOM 468 CE2 TYR A 371 8.184 -3.346 2.688 1.00 13.42 C ATOM 469 CZ TYR A 371 7.803 -4.651 2.876 1.00 44.42 C ATOM 470 OH TYR A 371 8.662 -5.665 2.553 1.00 33.12 O ATOM 0 H TYR A 371 4.508 -1.575 1.507 1.00 65.04 H new ATOM 0 HA TYR A 371 3.324 -2.643 3.818 1.00 43.35 H new ATOM 0 HB2 TYR A 371 5.508 -0.565 3.533 1.00 63.45 H new ATOM 0 HB3 TYR A 371 5.108 -1.410 5.016 1.00 63.45 H new ATOM 0 HD1 TYR A 371 4.743 -4.185 4.134 1.00 42.23 H new ATOM 0 HD2 TYR A 371 7.609 -1.306 2.873 1.00 42.31 H new ATOM 0 HE1 TYR A 371 6.280 -5.976 3.528 1.00 74.52 H new ATOM 0 HE2 TYR A 371 9.157 -3.115 2.280 1.00 13.42 H new ATOM 0 HH TYR A 371 8.588 -6.381 3.218 1.00 33.12 H new ATOM 480 N ASN A 372 2.793 0.548 3.291 1.00 15.24 N ATOM 481 CA ASN A 372 1.956 1.694 3.682 1.00 62.21 C ATOM 482 C ASN A 372 0.482 1.332 3.626 1.00 74.52 C ATOM 483 O ASN A 372 -0.309 1.798 4.443 1.00 14.12 O ATOM 484 CB ASN A 372 2.211 2.941 2.811 1.00 20.04 C ATOM 485 CG ASN A 372 3.614 3.509 2.932 1.00 31.30 C ATOM 486 OD1 ASN A 372 4.269 3.384 3.973 1.00 53.35 O ATOM 487 ND2 ASN A 372 4.079 4.150 1.884 1.00 71.02 N ATOM 0 H ASN A 372 3.356 0.704 2.455 1.00 15.24 H new ATOM 0 HA ASN A 372 2.235 1.940 4.706 1.00 62.21 H new ATOM 0 HB2 ASN A 372 2.023 2.686 1.768 1.00 20.04 H new ATOM 0 HB3 ASN A 372 1.493 3.714 3.085 1.00 20.04 H new ATOM 0 HD21 ASN A 372 5.010 4.565 1.912 1.00 71.02 H new ATOM 0 HD22 ASN A 372 3.509 4.232 1.042 1.00 71.02 H new ATOM 494 N TRP A 373 0.120 0.479 2.674 1.00 41.52 N ATOM 495 CA TRP A 373 -1.250 0.041 2.518 1.00 75.32 C ATOM 496 C TRP A 373 -1.706 -0.724 3.743 1.00 43.34 C ATOM 497 O TRP A 373 -2.754 -0.421 4.309 1.00 21.32 O ATOM 498 CB TRP A 373 -1.416 -0.821 1.272 1.00 52.45 C ATOM 499 CG TRP A 373 -2.829 -1.264 1.047 1.00 44.45 C ATOM 500 CD1 TRP A 373 -3.778 -0.621 0.319 1.00 0.52 C ATOM 501 CD2 TRP A 373 -3.455 -2.451 1.565 1.00 63.42 C ATOM 502 NE1 TRP A 373 -4.947 -1.328 0.348 1.00 53.23 N ATOM 503 CE2 TRP A 373 -4.773 -2.459 1.104 1.00 35.12 C ATOM 504 CE3 TRP A 373 -3.017 -3.503 2.372 1.00 42.23 C ATOM 505 CZ2 TRP A 373 -5.667 -3.481 1.420 1.00 53.02 C ATOM 506 CZ3 TRP A 373 -3.900 -4.516 2.686 1.00 74.13 C ATOM 507 CH2 TRP A 373 -5.213 -4.500 2.207 1.00 11.54 C ATOM 0 H TRP A 373 0.768 0.078 1.996 1.00 41.52 H new ATOM 0 HA TRP A 373 -1.871 0.929 2.403 1.00 75.32 H new ATOM 0 HB2 TRP A 373 -1.075 -0.260 0.402 1.00 52.45 H new ATOM 0 HB3 TRP A 373 -0.776 -1.699 1.357 1.00 52.45 H new ATOM 0 HD1 TRP A 373 -3.631 0.312 -0.205 1.00 0.52 H new ATOM 0 HE1 TRP A 373 -5.812 -1.057 -0.119 1.00 53.23 H new ATOM 0 HE3 TRP A 373 -2.003 -3.524 2.744 1.00 42.23 H new ATOM 0 HZ2 TRP A 373 -6.683 -3.467 1.055 1.00 53.02 H new ATOM 0 HZ3 TRP A 373 -3.572 -5.333 3.311 1.00 74.13 H new ATOM 0 HH2 TRP A 373 -5.881 -5.309 2.464 1.00 11.54 H new ATOM 518 N PHE A 374 -0.912 -1.711 4.156 1.00 50.40 N ATOM 519 CA PHE A 374 -1.230 -2.517 5.336 1.00 23.10 C ATOM 520 C PHE A 374 -1.367 -1.653 6.563 1.00 41.44 C ATOM 521 O PHE A 374 -2.260 -1.847 7.362 1.00 44.51 O ATOM 522 CB PHE A 374 -0.186 -3.614 5.576 1.00 12.35 C ATOM 523 CG PHE A 374 -0.207 -4.745 4.592 1.00 30.24 C ATOM 524 CD1 PHE A 374 0.456 -4.657 3.389 1.00 61.05 C ATOM 525 CD2 PHE A 374 -0.894 -5.909 4.885 1.00 31.34 C ATOM 526 CE1 PHE A 374 0.435 -5.706 2.488 1.00 41.03 C ATOM 527 CE2 PHE A 374 -0.916 -6.957 3.995 1.00 70.03 C ATOM 528 CZ PHE A 374 -0.251 -6.857 2.795 1.00 33.03 C ATOM 0 H PHE A 374 -0.043 -1.973 3.691 1.00 50.40 H new ATOM 0 HA PHE A 374 -2.187 -3.001 5.141 1.00 23.10 H new ATOM 0 HB2 PHE A 374 0.805 -3.159 5.561 1.00 12.35 H new ATOM 0 HB3 PHE A 374 -0.335 -4.021 6.576 1.00 12.35 H new ATOM 0 HD1 PHE A 374 1.000 -3.756 3.145 1.00 61.05 H new ATOM 0 HD2 PHE A 374 -1.420 -5.996 5.824 1.00 31.34 H new ATOM 0 HE1 PHE A 374 0.956 -5.621 1.546 1.00 41.03 H new ATOM 0 HE2 PHE A 374 -1.456 -7.860 4.239 1.00 70.03 H new ATOM 0 HZ PHE A 374 -0.268 -7.680 2.096 1.00 33.03 H new ATOM 538 N ALA A 375 -0.496 -0.688 6.685 1.00 10.14 N ATOM 539 CA ALA A 375 -0.520 0.225 7.818 1.00 21.52 C ATOM 540 C ALA A 375 -1.785 1.084 7.799 1.00 33.42 C ATOM 541 O ALA A 375 -2.382 1.375 8.837 1.00 42.11 O ATOM 542 CB ALA A 375 0.720 1.094 7.809 1.00 25.32 C ATOM 0 H ALA A 375 0.249 -0.505 6.013 1.00 10.14 H new ATOM 0 HA ALA A 375 -0.529 -0.361 8.737 1.00 21.52 H new ATOM 0 HB1 ALA A 375 0.694 1.774 8.660 1.00 25.32 H new ATOM 0 HB2 ALA A 375 1.607 0.463 7.875 1.00 25.32 H new ATOM 0 HB3 ALA A 375 0.753 1.671 6.885 1.00 25.32 H new ATOM 548 N SER A 376 -2.192 1.459 6.619 1.00 73.23 N ATOM 549 CA SER A 376 -3.356 2.277 6.426 1.00 10.53 C ATOM 550 C SER A 376 -4.665 1.473 6.600 1.00 14.00 C ATOM 551 O SER A 376 -5.578 1.917 7.296 1.00 42.33 O ATOM 552 CB SER A 376 -3.295 2.933 5.033 1.00 22.11 C ATOM 553 OG SER A 376 -4.412 3.773 4.790 1.00 12.42 O ATOM 0 H SER A 376 -1.718 1.202 5.753 1.00 73.23 H new ATOM 0 HA SER A 376 -3.360 3.052 7.193 1.00 10.53 H new ATOM 0 HB2 SER A 376 -2.378 3.516 4.947 1.00 22.11 H new ATOM 0 HB3 SER A 376 -3.252 2.157 4.269 1.00 22.11 H new ATOM 0 HG SER A 376 -4.334 4.170 3.898 1.00 12.42 H new ATOM 559 N ASN A 377 -4.745 0.283 6.002 1.00 20.14 N ATOM 560 CA ASN A 377 -6.002 -0.481 6.038 1.00 23.34 C ATOM 561 C ASN A 377 -6.130 -1.366 7.260 1.00 62.23 C ATOM 562 O ASN A 377 -7.239 -1.714 7.667 1.00 71.44 O ATOM 563 CB ASN A 377 -6.262 -1.328 4.764 1.00 55.10 C ATOM 564 CG ASN A 377 -6.511 -0.531 3.476 1.00 12.34 C ATOM 565 OD1 ASN A 377 -7.319 -0.932 2.654 1.00 12.32 O ATOM 566 ND2 ASN A 377 -5.783 0.525 3.252 1.00 34.33 N ATOM 0 H ASN A 377 -3.980 -0.167 5.499 1.00 20.14 H new ATOM 0 HA ASN A 377 -6.766 0.295 6.087 1.00 23.34 H new ATOM 0 HB2 ASN A 377 -5.406 -1.983 4.604 1.00 55.10 H new ATOM 0 HB3 ASN A 377 -7.125 -1.969 4.946 1.00 55.10 H new ATOM 0 HD21 ASN A 377 -5.882 1.036 2.375 1.00 34.33 H new ATOM 0 HD22 ASN A 377 -5.114 0.842 3.954 1.00 34.33 H new ATOM 573 N VAL A 378 -5.020 -1.735 7.841 1.00 55.24 N ATOM 574 CA VAL A 378 -5.037 -2.628 8.974 1.00 4.03 C ATOM 575 C VAL A 378 -4.546 -1.903 10.225 1.00 50.13 C ATOM 576 O VAL A 378 -3.375 -1.503 10.300 1.00 24.43 O ATOM 577 CB VAL A 378 -4.161 -3.877 8.720 1.00 14.10 C ATOM 578 CG1 VAL A 378 -4.233 -4.854 9.884 1.00 62.34 C ATOM 579 CG2 VAL A 378 -4.549 -4.557 7.414 1.00 23.41 C ATOM 0 H VAL A 378 -4.090 -1.432 7.550 1.00 55.24 H new ATOM 0 HA VAL A 378 -6.066 -2.955 9.123 1.00 4.03 H new ATOM 0 HB VAL A 378 -3.127 -3.542 8.635 1.00 14.10 H new ATOM 0 HG11 VAL A 378 -3.606 -5.720 9.672 1.00 62.34 H new ATOM 0 HG12 VAL A 378 -3.881 -4.365 10.792 1.00 62.34 H new ATOM 0 HG13 VAL A 378 -5.264 -5.179 10.023 1.00 62.34 H new ATOM 0 HG21 VAL A 378 -3.918 -5.432 7.258 1.00 23.41 H new ATOM 0 HG22 VAL A 378 -5.593 -4.866 7.461 1.00 23.41 H new ATOM 0 HG23 VAL A 378 -4.413 -3.860 6.587 1.00 23.41 H new ATOM 589 N PRO A 379 -5.445 -1.718 11.217 1.00 72.42 N ATOM 590 CA PRO A 379 -5.129 -1.038 12.473 1.00 62.11 C ATOM 591 C PRO A 379 -3.869 -1.586 13.162 1.00 52.50 C ATOM 592 O PRO A 379 -3.077 -0.821 13.718 1.00 52.23 O ATOM 593 CB PRO A 379 -6.357 -1.269 13.354 1.00 14.03 C ATOM 594 CG PRO A 379 -7.451 -1.739 12.460 1.00 1.04 C ATOM 595 CD PRO A 379 -6.851 -2.143 11.152 1.00 10.25 C ATOM 0 HA PRO A 379 -4.913 0.015 12.293 1.00 62.11 H new ATOM 0 HB2 PRO A 379 -6.145 -2.009 14.126 1.00 14.03 H new ATOM 0 HB3 PRO A 379 -6.644 -0.350 13.864 1.00 14.03 H new ATOM 0 HG2 PRO A 379 -7.975 -2.581 12.913 1.00 1.04 H new ATOM 0 HG3 PRO A 379 -8.186 -0.948 12.312 1.00 1.04 H new ATOM 0 HD2 PRO A 379 -6.929 -3.220 11.000 1.00 10.25 H new ATOM 0 HD3 PRO A 379 -7.367 -1.666 10.319 1.00 10.25 H new ATOM 603 N TYR A 380 -3.685 -2.902 13.107 1.00 22.41 N ATOM 604 CA TYR A 380 -2.514 -3.557 13.688 1.00 35.25 C ATOM 605 C TYR A 380 -1.203 -2.971 13.129 1.00 43.14 C ATOM 606 O TYR A 380 -0.279 -2.654 13.880 1.00 5.14 O ATOM 607 CB TYR A 380 -2.598 -5.071 13.431 1.00 41.21 C ATOM 608 CG TYR A 380 -1.410 -5.840 13.917 1.00 71.41 C ATOM 609 CD1 TYR A 380 -1.191 -6.037 15.262 1.00 74.42 C ATOM 610 CD2 TYR A 380 -0.492 -6.348 13.025 1.00 31.32 C ATOM 611 CE1 TYR A 380 -0.090 -6.727 15.706 1.00 71.53 C ATOM 612 CE2 TYR A 380 0.610 -7.036 13.454 1.00 1.40 C ATOM 613 CZ TYR A 380 0.810 -7.226 14.791 1.00 0.23 C ATOM 614 OH TYR A 380 1.921 -7.904 15.213 1.00 10.41 O ATOM 0 H TYR A 380 -4.340 -3.544 12.660 1.00 22.41 H new ATOM 0 HA TYR A 380 -2.509 -3.376 14.763 1.00 35.25 H new ATOM 0 HB2 TYR A 380 -3.493 -5.462 13.915 1.00 41.21 H new ATOM 0 HB3 TYR A 380 -2.714 -5.241 12.361 1.00 41.21 H new ATOM 0 HD1 TYR A 380 -1.896 -5.643 15.979 1.00 74.42 H new ATOM 0 HD2 TYR A 380 -0.645 -6.200 11.966 1.00 31.32 H new ATOM 0 HE1 TYR A 380 0.069 -6.877 16.764 1.00 71.53 H new ATOM 0 HE2 TYR A 380 1.318 -7.427 12.738 1.00 1.40 H new ATOM 0 HH TYR A 380 2.182 -8.559 14.533 1.00 10.41 H new ATOM 624 N PHE A 381 -1.140 -2.809 11.826 1.00 34.52 N ATOM 625 CA PHE A 381 0.051 -2.280 11.179 1.00 74.22 C ATOM 626 C PHE A 381 0.175 -0.801 11.353 1.00 3.54 C ATOM 627 O PHE A 381 1.270 -0.277 11.350 1.00 54.04 O ATOM 628 CB PHE A 381 0.134 -2.684 9.731 1.00 23.15 C ATOM 629 CG PHE A 381 0.194 -4.148 9.573 1.00 20.45 C ATOM 630 CD1 PHE A 381 1.151 -4.876 10.235 1.00 3.41 C ATOM 631 CD2 PHE A 381 -0.715 -4.800 8.799 1.00 10.41 C ATOM 632 CE1 PHE A 381 1.204 -6.230 10.116 1.00 61.33 C ATOM 633 CE2 PHE A 381 -0.676 -6.150 8.675 1.00 1.41 C ATOM 634 CZ PHE A 381 0.294 -6.871 9.340 1.00 1.04 C ATOM 0 H PHE A 381 -1.901 -3.036 11.186 1.00 34.52 H new ATOM 0 HA PHE A 381 0.907 -2.730 11.683 1.00 74.22 H new ATOM 0 HB2 PHE A 381 -0.732 -2.296 9.195 1.00 23.15 H new ATOM 0 HB3 PHE A 381 1.017 -2.233 9.278 1.00 23.15 H new ATOM 0 HD1 PHE A 381 1.871 -4.367 10.858 1.00 3.41 H new ATOM 0 HD2 PHE A 381 -1.475 -4.237 8.278 1.00 10.41 H new ATOM 0 HE1 PHE A 381 1.966 -6.792 10.636 1.00 61.33 H new ATOM 0 HE2 PHE A 381 -1.402 -6.659 8.058 1.00 1.41 H new ATOM 0 HZ PHE A 381 0.329 -7.946 9.243 1.00 1.04 H new ATOM 644 N GLY A 382 -0.957 -0.123 11.498 1.00 71.21 N ATOM 645 CA GLY A 382 -0.938 1.307 11.772 1.00 50.02 C ATOM 646 C GLY A 382 -0.210 1.602 13.085 1.00 55.31 C ATOM 647 O GLY A 382 0.313 2.691 13.297 1.00 33.34 O ATOM 0 H GLY A 382 -1.888 -0.534 11.431 1.00 71.21 H new ATOM 0 HA2 GLY A 382 -0.446 1.832 10.953 1.00 50.02 H new ATOM 0 HA3 GLY A 382 -1.959 1.685 11.825 1.00 50.02 H new ATOM 651 N ASN A 383 -0.184 0.609 13.959 1.00 60.21 N ATOM 652 CA ASN A 383 0.521 0.694 15.223 1.00 60.11 C ATOM 653 C ASN A 383 1.990 0.281 15.074 1.00 22.40 C ATOM 654 O ASN A 383 2.816 0.562 15.944 1.00 23.33 O ATOM 655 CB ASN A 383 -0.194 -0.139 16.302 1.00 33.11 C ATOM 656 CG ASN A 383 -1.474 0.516 16.811 1.00 74.44 C ATOM 657 OD1 ASN A 383 -1.458 1.257 17.797 1.00 44.32 O ATOM 658 ND2 ASN A 383 -2.577 0.268 16.157 1.00 74.24 N ATOM 0 H ASN A 383 -0.655 -0.283 13.808 1.00 60.21 H new ATOM 0 HA ASN A 383 0.512 1.736 15.544 1.00 60.11 H new ATOM 0 HB2 ASN A 383 -0.432 -1.122 15.895 1.00 33.11 H new ATOM 0 HB3 ASN A 383 0.485 -0.297 17.140 1.00 33.11 H new ATOM 0 HD21 ASN A 383 -3.455 0.691 16.458 1.00 74.24 H new ATOM 0 HD22 ASN A 383 -2.561 -0.349 15.345 1.00 74.24 H new ATOM 665 N ARG A 384 2.320 -0.359 13.958 1.00 50.22 N ATOM 666 CA ARG A 384 3.691 -0.759 13.675 1.00 53.13 C ATOM 667 C ARG A 384 4.207 -0.142 12.391 1.00 51.14 C ATOM 668 O ARG A 384 4.380 -0.826 11.380 1.00 11.23 O ATOM 669 CB ARG A 384 3.932 -2.288 13.698 1.00 23.42 C ATOM 670 CG ARG A 384 3.777 -2.919 15.066 1.00 55.42 C ATOM 671 CD ARG A 384 4.476 -4.274 15.179 1.00 43.35 C ATOM 672 NE ARG A 384 3.951 -5.310 14.287 1.00 63.44 N ATOM 673 CZ ARG A 384 4.686 -6.344 13.825 1.00 25.53 C ATOM 674 NH1 ARG A 384 6.004 -6.376 14.013 1.00 25.11 N ATOM 675 NH2 ARG A 384 4.101 -7.330 13.157 1.00 12.02 N ATOM 0 H ARG A 384 1.651 -0.613 13.231 1.00 50.22 H new ATOM 0 HA ARG A 384 4.272 -0.360 14.507 1.00 53.13 H new ATOM 0 HB2 ARG A 384 3.235 -2.765 13.009 1.00 23.42 H new ATOM 0 HB3 ARG A 384 4.937 -2.492 13.328 1.00 23.42 H new ATOM 0 HG2 ARG A 384 4.181 -2.243 15.820 1.00 55.42 H new ATOM 0 HG3 ARG A 384 2.717 -3.044 15.285 1.00 55.42 H new ATOM 0 HD2 ARG A 384 5.537 -4.138 14.971 1.00 43.35 H new ATOM 0 HD3 ARG A 384 4.395 -4.625 16.208 1.00 43.35 H new ATOM 0 HE ARG A 384 2.975 -5.247 13.998 1.00 63.44 H new ATOM 0 HH11 ARG A 384 6.467 -5.615 14.510 1.00 25.11 H new ATOM 0 HH12 ARG A 384 6.551 -7.162 13.660 1.00 25.11 H new ATOM 0 HH21 ARG A 384 3.095 -7.307 12.992 1.00 12.02 H new ATOM 0 HH22 ARG A 384 4.658 -8.110 12.809 1.00 12.02 H new ATOM 689 N THR A 385 4.408 1.155 12.436 1.00 13.25 N ATOM 690 CA THR A 385 4.894 1.922 11.307 1.00 2.21 C ATOM 691 C THR A 385 6.320 2.433 11.543 1.00 24.14 C ATOM 692 O THR A 385 6.887 3.134 10.703 1.00 2.31 O ATOM 693 CB THR A 385 3.963 3.126 11.046 1.00 10.53 C ATOM 694 OG1 THR A 385 3.774 3.868 12.273 1.00 13.20 O ATOM 695 CG2 THR A 385 2.616 2.674 10.513 1.00 44.40 C ATOM 0 H THR A 385 4.237 1.717 13.270 1.00 13.25 H new ATOM 0 HA THR A 385 4.903 1.260 10.441 1.00 2.21 H new ATOM 0 HB THR A 385 4.431 3.762 10.295 1.00 10.53 H new ATOM 0 HG1 THR A 385 3.184 4.633 12.105 1.00 13.20 H new ATOM 0 HG21 THR A 385 1.983 3.544 10.339 1.00 44.40 H new ATOM 0 HG22 THR A 385 2.758 2.135 9.576 1.00 44.40 H new ATOM 0 HG23 THR A 385 2.139 2.017 11.240 1.00 44.40 H new ATOM 703 N SER A 386 6.895 2.087 12.678 1.00 33.13 N ATOM 704 CA SER A 386 8.231 2.519 13.000 1.00 63.45 C ATOM 705 C SER A 386 9.229 1.590 12.305 1.00 41.33 C ATOM 706 O SER A 386 8.858 0.487 11.911 1.00 41.22 O ATOM 707 CB SER A 386 8.425 2.549 14.527 1.00 73.34 C ATOM 708 OG SER A 386 9.720 2.989 14.885 1.00 63.54 O ATOM 0 H SER A 386 6.453 1.507 13.391 1.00 33.13 H new ATOM 0 HA SER A 386 8.402 3.534 12.641 1.00 63.45 H new ATOM 0 HB2 SER A 386 7.681 3.208 14.975 1.00 73.34 H new ATOM 0 HB3 SER A 386 8.255 1.552 14.934 1.00 73.34 H new ATOM 0 HG SER A 386 9.805 2.996 15.861 1.00 63.54 H new ATOM 714 N GLN A 387 10.470 2.025 12.173 1.00 14.32 N ATOM 715 CA GLN A 387 11.509 1.302 11.413 1.00 22.32 C ATOM 716 C GLN A 387 11.646 -0.160 11.818 1.00 70.51 C ATOM 717 O GLN A 387 11.603 -1.050 10.970 1.00 21.12 O ATOM 718 CB GLN A 387 12.883 1.999 11.498 1.00 51.42 C ATOM 719 CG GLN A 387 12.968 3.383 10.845 1.00 22.10 C ATOM 720 CD GLN A 387 12.099 4.443 11.504 1.00 61.24 C ATOM 721 OE1 GLN A 387 11.844 4.402 12.715 1.00 2.42 O ATOM 722 NE2 GLN A 387 11.640 5.385 10.728 1.00 60.50 N ATOM 0 H GLN A 387 10.801 2.896 12.589 1.00 14.32 H new ATOM 0 HA GLN A 387 11.167 1.325 10.378 1.00 22.32 H new ATOM 0 HB2 GLN A 387 13.156 2.096 12.549 1.00 51.42 H new ATOM 0 HB3 GLN A 387 13.627 1.352 11.034 1.00 51.42 H new ATOM 0 HG2 GLN A 387 14.005 3.717 10.864 1.00 22.10 H new ATOM 0 HG3 GLN A 387 12.681 3.295 9.797 1.00 22.10 H new ATOM 0 HE21 GLN A 387 11.872 5.386 9.735 1.00 60.50 H new ATOM 0 HE22 GLN A 387 11.049 6.121 11.114 1.00 60.50 H new ATOM 731 N GLU A 388 11.793 -0.414 13.095 1.00 62.53 N ATOM 732 CA GLU A 388 11.954 -1.774 13.566 1.00 14.23 C ATOM 733 C GLU A 388 10.601 -2.435 13.781 1.00 1.21 C ATOM 734 O GLU A 388 10.450 -3.642 13.574 1.00 20.02 O ATOM 735 CB GLU A 388 12.759 -1.812 14.845 1.00 62.42 C ATOM 736 CG GLU A 388 14.145 -1.217 14.733 1.00 13.42 C ATOM 737 CD GLU A 388 14.864 -1.251 16.046 1.00 62.42 C ATOM 738 OE1 GLU A 388 15.428 -2.294 16.393 1.00 32.43 O ATOM 739 OE2 GLU A 388 14.860 -0.241 16.762 1.00 43.14 O ATOM 0 H GLU A 388 11.805 0.297 13.826 1.00 62.53 H new ATOM 0 HA GLU A 388 12.496 -2.329 12.800 1.00 14.23 H new ATOM 0 HB2 GLU A 388 12.210 -1.278 15.621 1.00 62.42 H new ATOM 0 HB3 GLU A 388 12.848 -2.848 15.173 1.00 62.42 H new ATOM 0 HG2 GLU A 388 14.719 -1.768 13.988 1.00 13.42 H new ATOM 0 HG3 GLU A 388 14.073 -0.187 14.383 1.00 13.42 H new ATOM 746 N GLN A 389 9.608 -1.641 14.181 1.00 10.42 N ATOM 747 CA GLN A 389 8.280 -2.158 14.399 1.00 72.43 C ATOM 748 C GLN A 389 7.642 -2.691 13.147 1.00 73.15 C ATOM 749 O GLN A 389 6.899 -3.657 13.190 1.00 13.35 O ATOM 750 CB GLN A 389 7.393 -1.158 15.041 1.00 71.05 C ATOM 751 CG GLN A 389 7.836 -0.799 16.442 1.00 22.44 C ATOM 752 CD GLN A 389 6.716 -0.217 17.208 1.00 43.44 C ATOM 753 OE1 GLN A 389 6.640 -0.332 18.431 1.00 22.04 O ATOM 754 NE2 GLN A 389 5.817 0.371 16.514 1.00 32.15 N ATOM 0 H GLN A 389 9.709 -0.641 14.357 1.00 10.42 H new ATOM 0 HA GLN A 389 8.406 -2.998 15.082 1.00 72.43 H new ATOM 0 HB2 GLN A 389 7.367 -0.256 14.430 1.00 71.05 H new ATOM 0 HB3 GLN A 389 6.376 -1.549 15.075 1.00 71.05 H new ATOM 0 HG2 GLN A 389 8.208 -1.688 16.951 1.00 22.44 H new ATOM 0 HG3 GLN A 389 8.661 -0.088 16.397 1.00 22.44 H new ATOM 0 HE21 GLN A 389 5.920 0.444 15.502 1.00 32.15 H new ATOM 0 HE22 GLN A 389 4.997 0.767 16.973 1.00 32.15 H new ATOM 763 N SER A 390 7.934 -2.080 12.035 1.00 2.35 N ATOM 764 CA SER A 390 7.377 -2.528 10.796 1.00 64.11 C ATOM 765 C SER A 390 8.266 -3.588 10.141 1.00 42.13 C ATOM 766 O SER A 390 7.781 -4.430 9.390 1.00 73.21 O ATOM 767 CB SER A 390 7.140 -1.344 9.853 1.00 20.11 C ATOM 768 OG SER A 390 8.351 -0.656 9.570 1.00 53.51 O ATOM 0 H SER A 390 8.553 -1.273 11.963 1.00 2.35 H new ATOM 0 HA SER A 390 6.414 -2.993 11.005 1.00 64.11 H new ATOM 0 HB2 SER A 390 6.696 -1.700 8.923 1.00 20.11 H new ATOM 0 HB3 SER A 390 6.425 -0.655 10.304 1.00 20.11 H new ATOM 0 HG SER A 390 8.618 -0.129 10.352 1.00 53.51 H new ATOM 774 N ALA A 391 9.559 -3.567 10.487 1.00 51.54 N ATOM 775 CA ALA A 391 10.574 -4.436 9.881 1.00 52.00 C ATOM 776 C ALA A 391 10.176 -5.900 9.868 1.00 12.33 C ATOM 777 O ALA A 391 10.280 -6.562 8.846 1.00 61.42 O ATOM 778 CB ALA A 391 11.909 -4.268 10.587 1.00 34.15 C ATOM 0 H ALA A 391 9.933 -2.942 11.201 1.00 51.54 H new ATOM 0 HA ALA A 391 10.664 -4.122 8.841 1.00 52.00 H new ATOM 0 HB1 ALA A 391 12.650 -4.920 10.124 1.00 34.15 H new ATOM 0 HB2 ALA A 391 12.236 -3.231 10.505 1.00 34.15 H new ATOM 0 HB3 ALA A 391 11.800 -4.532 11.639 1.00 34.15 H new ATOM 784 N GLY A 392 9.704 -6.394 10.986 1.00 62.21 N ATOM 785 CA GLY A 392 9.358 -7.797 11.080 1.00 62.30 C ATOM 786 C GLY A 392 8.257 -8.215 10.148 1.00 2.14 C ATOM 787 O GLY A 392 8.394 -9.220 9.448 1.00 52.54 O ATOM 0 H GLY A 392 9.550 -5.854 11.838 1.00 62.21 H new ATOM 0 HA2 GLY A 392 10.245 -8.395 10.870 1.00 62.30 H new ATOM 0 HA3 GLY A 392 9.058 -8.020 12.104 1.00 62.30 H new ATOM 791 N TRP A 393 7.174 -7.448 10.094 1.00 63.45 N ATOM 792 CA TRP A 393 6.099 -7.826 9.227 1.00 53.30 C ATOM 793 C TRP A 393 6.456 -7.568 7.763 1.00 4.00 C ATOM 794 O TRP A 393 5.931 -8.227 6.856 1.00 2.02 O ATOM 795 CB TRP A 393 4.726 -7.265 9.644 1.00 64.43 C ATOM 796 CG TRP A 393 4.583 -5.784 9.641 1.00 51.22 C ATOM 797 CD1 TRP A 393 4.821 -4.935 10.669 1.00 64.23 C ATOM 798 CD2 TRP A 393 4.118 -4.991 8.560 1.00 55.44 C ATOM 799 NE1 TRP A 393 4.540 -3.646 10.285 1.00 64.54 N ATOM 800 CE2 TRP A 393 4.113 -3.656 8.989 1.00 62.30 C ATOM 801 CE3 TRP A 393 3.713 -5.288 7.267 1.00 11.45 C ATOM 802 CZ2 TRP A 393 3.717 -2.612 8.163 1.00 75.35 C ATOM 803 CZ3 TRP A 393 3.317 -4.256 6.447 1.00 63.41 C ATOM 804 CH2 TRP A 393 3.324 -2.934 6.896 1.00 44.23 C ATOM 0 H TRP A 393 7.031 -6.590 10.627 1.00 63.45 H new ATOM 0 HA TRP A 393 5.973 -8.903 9.337 1.00 53.30 H new ATOM 0 HB2 TRP A 393 3.971 -7.682 8.977 1.00 64.43 H new ATOM 0 HB3 TRP A 393 4.500 -7.627 10.647 1.00 64.43 H new ATOM 0 HD1 TRP A 393 5.178 -5.228 11.645 1.00 64.23 H new ATOM 0 HE1 TRP A 393 4.635 -2.818 10.872 1.00 64.54 H new ATOM 0 HE3 TRP A 393 3.709 -6.308 6.911 1.00 11.45 H new ATOM 0 HZ2 TRP A 393 3.720 -1.589 8.508 1.00 75.35 H new ATOM 0 HZ3 TRP A 393 2.995 -4.472 5.439 1.00 63.41 H new ATOM 0 HH2 TRP A 393 3.011 -2.148 6.225 1.00 44.23 H new ATOM 815 N LYS A 394 7.372 -6.605 7.537 1.00 72.53 N ATOM 816 CA LYS A 394 7.939 -6.397 6.220 1.00 60.20 C ATOM 817 C LYS A 394 8.656 -7.637 5.778 1.00 55.54 C ATOM 818 O LYS A 394 8.528 -8.064 4.629 1.00 43.43 O ATOM 819 CB LYS A 394 8.917 -5.238 6.199 1.00 42.45 C ATOM 820 CG LYS A 394 8.279 -3.915 6.436 1.00 24.14 C ATOM 821 CD LYS A 394 9.281 -2.805 6.344 1.00 72.33 C ATOM 822 CE LYS A 394 8.598 -1.497 6.561 1.00 74.13 C ATOM 823 NZ LYS A 394 9.511 -0.359 6.363 1.00 53.23 N ATOM 0 H LYS A 394 7.723 -5.971 8.254 1.00 72.53 H new ATOM 0 HA LYS A 394 7.116 -6.165 5.545 1.00 60.20 H new ATOM 0 HB2 LYS A 394 9.681 -5.405 6.958 1.00 42.45 H new ATOM 0 HB3 LYS A 394 9.425 -5.219 5.235 1.00 42.45 H new ATOM 0 HG2 LYS A 394 7.487 -3.754 5.705 1.00 24.14 H new ATOM 0 HG3 LYS A 394 7.811 -3.905 7.420 1.00 24.14 H new ATOM 0 HD2 LYS A 394 10.064 -2.946 7.089 1.00 72.33 H new ATOM 0 HD3 LYS A 394 9.764 -2.817 5.367 1.00 72.33 H new ATOM 0 HE2 LYS A 394 7.756 -1.410 5.875 1.00 74.13 H new ATOM 0 HE3 LYS A 394 8.191 -1.464 7.572 1.00 74.13 H new ATOM 0 HZ1 LYS A 394 8.997 0.531 6.523 1.00 53.23 H new ATOM 0 HZ2 LYS A 394 10.302 -0.428 7.035 1.00 53.23 H new ATOM 0 HZ3 LYS A 394 9.880 -0.375 5.391 1.00 53.23 H new ATOM 837 N ASN A 395 9.394 -8.244 6.712 1.00 43.04 N ATOM 838 CA ASN A 395 10.140 -9.456 6.414 1.00 52.35 C ATOM 839 C ASN A 395 9.242 -10.575 5.986 1.00 20.34 C ATOM 840 O ASN A 395 9.583 -11.319 5.090 1.00 73.30 O ATOM 841 CB ASN A 395 11.069 -9.880 7.559 1.00 43.50 C ATOM 842 CG ASN A 395 12.389 -9.132 7.552 1.00 5.32 C ATOM 843 OD1 ASN A 395 13.354 -9.579 6.943 1.00 2.42 O ATOM 844 ND2 ASN A 395 12.449 -8.008 8.198 1.00 45.14 N ATOM 0 H ASN A 395 9.487 -7.914 7.673 1.00 43.04 H new ATOM 0 HA ASN A 395 10.784 -9.214 5.569 1.00 52.35 H new ATOM 0 HB2 ASN A 395 10.566 -9.711 8.511 1.00 43.50 H new ATOM 0 HB3 ASN A 395 11.263 -10.950 7.487 1.00 43.50 H new ATOM 0 HD21 ASN A 395 13.316 -7.471 8.208 1.00 45.14 H new ATOM 0 HD22 ASN A 395 11.629 -7.661 8.696 1.00 45.14 H new ATOM 851 N SER A 396 8.083 -10.667 6.596 1.00 54.20 N ATOM 852 CA SER A 396 7.115 -11.681 6.249 1.00 53.42 C ATOM 853 C SER A 396 6.632 -11.499 4.784 1.00 35.12 C ATOM 854 O SER A 396 6.616 -12.452 3.992 1.00 43.12 O ATOM 855 CB SER A 396 5.949 -11.564 7.202 1.00 33.34 C ATOM 856 OG SER A 396 6.390 -11.599 8.548 1.00 2.25 O ATOM 0 H SER A 396 7.785 -10.042 7.345 1.00 54.20 H new ATOM 0 HA SER A 396 7.569 -12.669 6.328 1.00 53.42 H new ATOM 0 HB2 SER A 396 5.413 -10.633 7.015 1.00 33.34 H new ATOM 0 HB3 SER A 396 5.246 -12.378 7.024 1.00 33.34 H new ATOM 0 HG SER A 396 5.619 -11.520 9.147 1.00 2.25 H new ATOM 862 N ILE A 397 6.269 -10.271 4.440 1.00 70.23 N ATOM 863 CA ILE A 397 5.796 -9.933 3.096 1.00 71.11 C ATOM 864 C ILE A 397 6.907 -10.122 2.055 1.00 11.31 C ATOM 865 O ILE A 397 6.706 -10.776 1.023 1.00 3.35 O ATOM 866 CB ILE A 397 5.265 -8.463 3.058 1.00 70.53 C ATOM 867 CG1 ILE A 397 3.991 -8.327 3.902 1.00 21.21 C ATOM 868 CG2 ILE A 397 5.018 -7.969 1.627 1.00 22.13 C ATOM 869 CD1 ILE A 397 3.492 -6.913 4.049 1.00 61.33 C ATOM 0 H ILE A 397 6.292 -9.478 5.081 1.00 70.23 H new ATOM 0 HA ILE A 397 4.979 -10.610 2.848 1.00 71.11 H new ATOM 0 HB ILE A 397 6.043 -7.831 3.486 1.00 70.53 H new ATOM 0 HG12 ILE A 397 3.204 -8.932 3.451 1.00 21.21 H new ATOM 0 HG13 ILE A 397 4.181 -8.738 4.894 1.00 21.21 H new ATOM 0 HG21 ILE A 397 4.650 -6.943 1.655 1.00 22.13 H new ATOM 0 HG22 ILE A 397 5.950 -8.005 1.064 1.00 22.13 H new ATOM 0 HG23 ILE A 397 4.278 -8.607 1.144 1.00 22.13 H new ATOM 0 HD11 ILE A 397 2.589 -6.907 4.659 1.00 61.33 H new ATOM 0 HD12 ILE A 397 4.258 -6.305 4.529 1.00 61.33 H new ATOM 0 HD13 ILE A 397 3.267 -6.502 3.065 1.00 61.33 H new ATOM 881 N ARG A 398 8.077 -9.576 2.347 1.00 54.31 N ATOM 882 CA ARG A 398 9.197 -9.610 1.451 1.00 3.22 C ATOM 883 C ARG A 398 9.669 -11.068 1.238 1.00 12.24 C ATOM 884 O ARG A 398 10.060 -11.448 0.130 1.00 34.21 O ATOM 885 CB ARG A 398 10.291 -8.742 2.047 1.00 12.32 C ATOM 886 CG ARG A 398 11.022 -7.873 1.056 1.00 11.22 C ATOM 887 CD ARG A 398 11.817 -8.659 0.051 1.00 54.41 C ATOM 888 NE ARG A 398 12.489 -7.794 -0.922 1.00 41.22 N ATOM 889 CZ ARG A 398 13.279 -8.238 -1.906 1.00 21.03 C ATOM 890 NH1 ARG A 398 13.578 -9.536 -1.985 1.00 42.43 N ATOM 891 NH2 ARG A 398 13.792 -7.386 -2.788 1.00 21.52 N ATOM 0 H ARG A 398 8.267 -9.094 3.226 1.00 54.31 H new ATOM 0 HA ARG A 398 8.924 -9.223 0.469 1.00 3.22 H new ATOM 0 HB2 ARG A 398 9.851 -8.103 2.813 1.00 12.32 H new ATOM 0 HB3 ARG A 398 11.015 -9.386 2.546 1.00 12.32 H new ATOM 0 HG2 ARG A 398 10.301 -7.248 0.530 1.00 11.22 H new ATOM 0 HG3 ARG A 398 11.692 -7.203 1.595 1.00 11.22 H new ATOM 0 HD2 ARG A 398 12.560 -9.264 0.571 1.00 54.41 H new ATOM 0 HD3 ARG A 398 11.156 -9.348 -0.474 1.00 54.41 H new ATOM 0 HE ARG A 398 12.345 -6.787 -0.844 1.00 41.22 H new ATOM 0 HH11 ARG A 398 13.204 -10.188 -1.296 1.00 42.43 H new ATOM 0 HH12 ARG A 398 14.180 -9.876 -2.735 1.00 42.43 H new ATOM 0 HH21 ARG A 398 13.584 -6.390 -2.716 1.00 21.52 H new ATOM 0 HH22 ARG A 398 14.394 -7.728 -3.537 1.00 21.52 H new ATOM 905 N HIS A 399 9.603 -11.865 2.305 1.00 74.11 N ATOM 906 CA HIS A 399 9.936 -13.296 2.260 1.00 52.44 C ATOM 907 C HIS A 399 9.037 -14.014 1.261 1.00 32.33 C ATOM 908 O HIS A 399 9.510 -14.765 0.421 1.00 12.30 O ATOM 909 CB HIS A 399 9.789 -13.920 3.671 1.00 73.51 C ATOM 910 CG HIS A 399 10.048 -15.401 3.773 1.00 74.33 C ATOM 911 ND1 HIS A 399 11.259 -15.931 4.140 1.00 0.43 N ATOM 912 CD2 HIS A 399 9.223 -16.459 3.596 1.00 50.00 C ATOM 913 CE1 HIS A 399 11.168 -17.244 4.181 1.00 2.31 C ATOM 914 NE2 HIS A 399 9.943 -17.590 3.857 1.00 21.20 N ATOM 0 H HIS A 399 9.317 -11.539 3.228 1.00 74.11 H new ATOM 0 HA HIS A 399 10.971 -13.409 1.936 1.00 52.44 H new ATOM 0 HB2 HIS A 399 10.472 -13.405 4.346 1.00 73.51 H new ATOM 0 HB3 HIS A 399 8.779 -13.723 4.029 1.00 73.51 H new ATOM 0 HD2 HIS A 399 8.185 -16.417 3.302 1.00 50.00 H new ATOM 0 HE1 HIS A 399 11.967 -17.923 4.438 1.00 2.31 H new ATOM 0 HE2 HIS A 399 9.588 -18.545 3.808 1.00 21.20 H new ATOM 923 N ASN A 400 7.741 -13.774 1.364 1.00 73.31 N ATOM 924 CA ASN A 400 6.774 -14.381 0.464 1.00 5.12 C ATOM 925 C ASN A 400 6.964 -13.933 -0.969 1.00 1.02 C ATOM 926 O ASN A 400 6.818 -14.729 -1.892 1.00 34.15 O ATOM 927 CB ASN A 400 5.370 -14.152 0.965 1.00 30.03 C ATOM 928 CG ASN A 400 5.135 -14.916 2.244 1.00 21.42 C ATOM 929 OD1 ASN A 400 5.670 -16.008 2.443 1.00 52.44 O ATOM 930 ND2 ASN A 400 4.395 -14.351 3.128 1.00 42.12 N ATOM 0 H ASN A 400 7.332 -13.159 2.067 1.00 73.31 H new ATOM 0 HA ASN A 400 6.948 -15.457 0.459 1.00 5.12 H new ATOM 0 HB2 ASN A 400 5.207 -13.088 1.135 1.00 30.03 H new ATOM 0 HB3 ASN A 400 4.651 -14.468 0.209 1.00 30.03 H new ATOM 0 HD21 ASN A 400 4.236 -14.807 4.027 1.00 42.12 H new ATOM 0 HD22 ASN A 400 3.967 -13.446 2.932 1.00 42.12 H new ATOM 937 N LEU A 401 7.301 -12.670 -1.161 1.00 34.52 N ATOM 938 CA LEU A 401 7.659 -12.170 -2.491 1.00 65.54 C ATOM 939 C LEU A 401 8.852 -12.951 -3.070 1.00 54.30 C ATOM 940 O LEU A 401 8.897 -13.251 -4.266 1.00 12.42 O ATOM 941 CB LEU A 401 7.957 -10.661 -2.440 1.00 2.55 C ATOM 942 CG LEU A 401 6.744 -9.754 -2.202 1.00 71.23 C ATOM 943 CD1 LEU A 401 7.178 -8.314 -1.976 1.00 11.41 C ATOM 944 CD2 LEU A 401 5.819 -9.820 -3.405 1.00 64.31 C ATOM 0 H LEU A 401 7.336 -11.969 -0.421 1.00 34.52 H new ATOM 0 HA LEU A 401 6.808 -12.325 -3.154 1.00 65.54 H new ATOM 0 HB2 LEU A 401 8.685 -10.479 -1.649 1.00 2.55 H new ATOM 0 HB3 LEU A 401 8.427 -10.370 -3.379 1.00 2.55 H new ATOM 0 HG LEU A 401 6.222 -10.102 -1.311 1.00 71.23 H new ATOM 0 HD11 LEU A 401 6.299 -7.691 -1.810 1.00 11.41 H new ATOM 0 HD12 LEU A 401 7.829 -8.263 -1.104 1.00 11.41 H new ATOM 0 HD13 LEU A 401 7.717 -7.955 -2.853 1.00 11.41 H new ATOM 0 HD21 LEU A 401 4.956 -9.175 -3.236 1.00 64.31 H new ATOM 0 HD22 LEU A 401 6.354 -9.486 -4.294 1.00 64.31 H new ATOM 0 HD23 LEU A 401 5.482 -10.847 -3.549 1.00 64.31 H new ATOM 1257 N TRP A 421 6.758 -3.465 -8.337 1.00 24.43 N ATOM 1258 CA TRP A 421 6.411 -4.714 -8.939 1.00 5.35 C ATOM 1259 C TRP A 421 4.927 -4.756 -9.199 1.00 55.54 C ATOM 1260 O TRP A 421 4.166 -3.960 -8.635 1.00 15.14 O ATOM 1261 CB TRP A 421 6.905 -5.943 -8.116 1.00 20.12 C ATOM 1262 CG TRP A 421 6.305 -6.097 -6.776 1.00 74.54 C ATOM 1263 CD1 TRP A 421 6.753 -5.578 -5.599 1.00 21.55 C ATOM 1264 CD2 TRP A 421 5.150 -6.863 -6.471 1.00 21.45 C ATOM 1265 NE1 TRP A 421 5.934 -5.972 -4.589 1.00 73.42 N ATOM 1266 CE2 TRP A 421 4.932 -6.760 -5.106 1.00 54.41 C ATOM 1267 CE3 TRP A 421 4.268 -7.622 -7.241 1.00 14.22 C ATOM 1268 CZ2 TRP A 421 3.865 -7.394 -4.478 1.00 42.41 C ATOM 1269 CZ3 TRP A 421 3.220 -8.246 -6.625 1.00 52.30 C ATOM 1270 CH2 TRP A 421 3.022 -8.130 -5.258 1.00 21.11 C ATOM 0 HA TRP A 421 6.933 -4.785 -9.893 1.00 5.35 H new ATOM 0 HB2 TRP A 421 6.703 -6.847 -8.691 1.00 20.12 H new ATOM 0 HB3 TRP A 421 7.987 -5.871 -8.004 1.00 20.12 H new ATOM 0 HD1 TRP A 421 7.625 -4.950 -5.486 1.00 21.55 H new ATOM 0 HE1 TRP A 421 6.044 -5.724 -3.606 1.00 73.42 H new ATOM 0 HE3 TRP A 421 4.411 -7.715 -8.307 1.00 14.22 H new ATOM 0 HZ2 TRP A 421 3.710 -7.307 -3.413 1.00 42.41 H new ATOM 0 HZ3 TRP A 421 2.535 -8.839 -7.213 1.00 52.30 H new ATOM 0 HH2 TRP A 421 2.183 -8.633 -4.801 1.00 21.11 H new ATOM 1281 N VAL A 422 4.528 -5.631 -10.074 1.00 30.11 N ATOM 1282 CA VAL A 422 3.142 -5.819 -10.412 1.00 25.34 C ATOM 1283 C VAL A 422 2.843 -7.304 -10.442 1.00 52.10 C ATOM 1284 O VAL A 422 3.767 -8.132 -10.579 1.00 33.34 O ATOM 1285 CB VAL A 422 2.760 -5.177 -11.792 1.00 54.30 C ATOM 1286 CG1 VAL A 422 2.897 -3.661 -11.755 1.00 71.33 C ATOM 1287 CG2 VAL A 422 3.606 -5.751 -12.924 1.00 55.24 C ATOM 0 H VAL A 422 5.164 -6.245 -10.583 1.00 30.11 H new ATOM 0 HA VAL A 422 2.544 -5.315 -9.652 1.00 25.34 H new ATOM 0 HB VAL A 422 1.716 -5.424 -11.982 1.00 54.30 H new ATOM 0 HG11 VAL A 422 2.625 -3.247 -12.726 1.00 71.33 H new ATOM 0 HG12 VAL A 422 2.236 -3.255 -10.989 1.00 71.33 H new ATOM 0 HG13 VAL A 422 3.928 -3.394 -11.523 1.00 71.33 H new ATOM 0 HG21 VAL A 422 3.317 -5.286 -13.866 1.00 55.24 H new ATOM 0 HG22 VAL A 422 4.659 -5.551 -12.729 1.00 55.24 H new ATOM 0 HG23 VAL A 422 3.447 -6.828 -12.987 1.00 55.24 H new ATOM 1297 N ILE A 423 1.591 -7.659 -10.324 1.00 71.32 N ATOM 1298 CA ILE A 423 1.226 -9.050 -10.346 1.00 74.41 C ATOM 1299 C ILE A 423 1.139 -9.497 -11.780 1.00 53.20 C ATOM 1300 O ILE A 423 0.321 -8.997 -12.553 1.00 22.04 O ATOM 1301 CB ILE A 423 -0.122 -9.321 -9.609 1.00 3.10 C ATOM 1302 CG1 ILE A 423 0.001 -8.918 -8.132 1.00 75.41 C ATOM 1303 CG2 ILE A 423 -0.520 -10.798 -9.735 1.00 22.55 C ATOM 1304 CD1 ILE A 423 -1.267 -9.104 -7.320 1.00 45.33 C ATOM 0 H ILE A 423 0.812 -7.010 -10.212 1.00 71.32 H new ATOM 0 HA ILE A 423 1.990 -9.617 -9.814 1.00 74.41 H new ATOM 0 HB ILE A 423 -0.904 -8.720 -10.074 1.00 3.10 H new ATOM 0 HG12 ILE A 423 0.799 -9.503 -7.674 1.00 75.41 H new ATOM 0 HG13 ILE A 423 0.301 -7.872 -8.078 1.00 75.41 H new ATOM 0 HG21 ILE A 423 -1.463 -10.966 -9.214 1.00 22.55 H new ATOM 0 HG22 ILE A 423 -0.636 -11.055 -10.788 1.00 22.55 H new ATOM 0 HG23 ILE A 423 0.256 -11.423 -9.292 1.00 22.55 H new ATOM 0 HD11 ILE A 423 -1.088 -8.795 -6.290 1.00 45.33 H new ATOM 0 HD12 ILE A 423 -2.065 -8.497 -7.748 1.00 45.33 H new ATOM 0 HD13 ILE A 423 -1.560 -10.154 -7.338 1.00 45.33 H new