USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 955 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 82 THR OG1 : rot -90:sc= -1.83 USER MOD Set 1.2: A 84 HIS : no HD1:sc= -1.07 K(o=-2.9,f=-0.5) USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 0.0345 USER MOD Set 2.2: A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.229 X(o=-0.23,f=0.00078) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0636 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 30 CYS SG : rot 41:sc= -0.56 USER MOD Single : A 31 THR OG1 : rot 115:sc= 1.42 USER MOD Single : A 32 THR OG1 : rot 13:sc= 0.277! USER MOD Single : A 35 ASN : amide:sc= -0.0809 X(o=-0.081,f=-0.42) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 45 SER OG : rot 83:sc= 0.212 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.594 USER MOD Single : A 60 MET CE :methyl -121:sc= -3.09 (180deg=-7.47!) USER MOD Single : A 67 LYS NZ :NH3+ -117:sc= -0.806 (180deg=-5.35!) USER MOD Single : A 68 GLN : amide:sc= -6.14! C(o=-6.1!,f=-5.2!) USER MOD Single : A 70 LYS NZ :NH3+ -123:sc= -0.17 (180deg=-1.29) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 73 HIS : no HE2:sc= -2.16 K(o=-2.2,f=-3) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -172:sc= -2.83 (180deg=-2.9) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0758 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -137:sc= -2.22! USER MOD Single : A 95 GLN : amide:sc= -0.0327 K(o=-0.033,f=-1.2) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot 47:sc= -2.66! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 84:sc= 0.882 USER MOD Single : A 121 HIS : no HD1:sc=-0.00424 X(o=-0.0042,f=-0.4) USER MOD Single : A 122 TYR OH : rot 130:sc= -0.647 USER MOD Single : A 123 GLN : amide:sc= -0.346 K(o=-0.35,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.553 -0.309 -1.895 1.00 3.20 N ATOM 2 CA MET A 1 0.786 -0.561 -2.416 1.00 11.11 C ATOM 3 C MET A 1 1.299 -1.923 -1.960 1.00 21.11 C ATOM 4 O MET A 1 1.844 -2.055 -0.865 1.00 23.24 O ATOM 5 CB MET A 1 1.749 0.538 -1.962 1.00 35.03 C ATOM 6 CG MET A 1 2.968 0.687 -2.858 1.00 35.55 C ATOM 7 SD MET A 1 3.440 2.409 -3.107 1.00 63.52 S ATOM 8 CE MET A 1 4.531 2.666 -1.710 1.00 12.21 C ATOM 0 H1 MET A 1 -0.881 0.623 -2.218 1.00 3.20 H new ATOM 0 H2 MET A 1 -1.203 -1.044 -2.239 1.00 3.20 H new ATOM 0 H3 MET A 1 -0.530 -0.327 -0.855 1.00 3.20 H new ATOM 0 HA MET A 1 0.731 -0.559 -3.505 1.00 11.11 H new ATOM 0 HB2 MET A 1 1.214 1.487 -1.929 1.00 35.03 H new ATOM 0 HB3 MET A 1 2.079 0.323 -0.946 1.00 35.03 H new ATOM 0 HG2 MET A 1 3.805 0.145 -2.419 1.00 35.55 H new ATOM 0 HG3 MET A 1 2.762 0.227 -3.825 1.00 35.55 H new ATOM 0 HE1 MET A 1 4.906 3.689 -1.725 1.00 12.21 H new ATOM 0 HE2 MET A 1 3.983 2.494 -0.784 1.00 12.21 H new ATOM 0 HE3 MET A 1 5.369 1.971 -1.770 1.00 12.21 H new ATOM 18 N GLN A 2 1.120 -2.932 -2.807 1.00 3.32 N ATOM 19 CA GLN A 2 1.565 -4.283 -2.489 1.00 32.52 C ATOM 20 C GLN A 2 3.054 -4.448 -2.775 1.00 73.44 C ATOM 21 O GLN A 2 3.455 -5.324 -3.543 1.00 13.24 O ATOM 22 CB GLN A 2 0.762 -5.309 -3.291 1.00 62.02 C ATOM 23 CG GLN A 2 -0.734 -5.039 -3.300 1.00 22.14 C ATOM 24 CD GLN A 2 -1.225 -4.515 -4.635 1.00 22.33 C ATOM 25 OE1 GLN A 2 -1.379 -5.273 -5.593 1.00 42.12 O ATOM 26 NE2 GLN A 2 -1.474 -3.213 -4.705 1.00 10.13 N ATOM 0 H GLN A 2 0.670 -2.839 -3.718 1.00 3.32 H new ATOM 0 HA GLN A 2 1.398 -4.452 -1.425 1.00 32.52 H new ATOM 0 HB2 GLN A 2 1.127 -5.321 -4.318 1.00 62.02 H new ATOM 0 HB3 GLN A 2 0.941 -6.302 -2.878 1.00 62.02 H new ATOM 0 HG2 GLN A 2 -1.267 -5.958 -3.057 1.00 22.14 H new ATOM 0 HG3 GLN A 2 -0.973 -4.316 -2.520 1.00 22.14 H new ATOM 0 HE21 GLN A 2 -1.332 -2.622 -3.886 1.00 10.13 H new ATOM 0 HE22 GLN A 2 -1.807 -2.804 -5.578 1.00 10.13 H new ATOM 35 N ARG A 3 3.868 -3.601 -2.155 1.00 22.44 N ATOM 36 CA ARG A 3 5.313 -3.653 -2.345 1.00 13.45 C ATOM 37 C ARG A 3 5.860 -5.030 -1.983 1.00 62.32 C ATOM 38 O ARG A 3 6.941 -5.416 -2.427 1.00 31.13 O ATOM 39 CB ARG A 3 5.998 -2.581 -1.495 1.00 45.22 C ATOM 40 CG ARG A 3 5.572 -2.595 -0.036 1.00 43.23 C ATOM 41 CD ARG A 3 6.458 -3.511 0.794 1.00 75.11 C ATOM 42 NE ARG A 3 7.248 -2.769 1.772 1.00 31.15 N ATOM 43 CZ ARG A 3 7.751 -3.313 2.875 1.00 43.11 C ATOM 44 NH1 ARG A 3 7.548 -4.597 3.137 1.00 11.54 N ATOM 45 NH2 ARG A 3 8.460 -2.572 3.717 1.00 23.44 N ATOM 0 H ARG A 3 3.552 -2.871 -1.517 1.00 22.44 H new ATOM 0 HA ARG A 3 5.523 -3.463 -3.398 1.00 13.45 H new ATOM 0 HB2 ARG A 3 7.078 -2.721 -1.551 1.00 45.22 H new ATOM 0 HB3 ARG A 3 5.781 -1.600 -1.918 1.00 45.22 H new ATOM 0 HG2 ARG A 3 5.615 -1.583 0.366 1.00 43.23 H new ATOM 0 HG3 ARG A 3 4.536 -2.924 0.038 1.00 43.23 H new ATOM 0 HD2 ARG A 3 5.838 -4.245 1.310 1.00 75.11 H new ATOM 0 HD3 ARG A 3 7.126 -4.065 0.134 1.00 75.11 H new ATOM 0 HE ARG A 3 7.423 -1.779 1.599 1.00 31.15 H new ATOM 0 HH11 ARG A 3 7.005 -5.170 2.491 1.00 11.54 H new ATOM 0 HH12 ARG A 3 7.935 -5.012 3.984 1.00 11.54 H new ATOM 0 HH21 ARG A 3 8.619 -1.584 3.518 1.00 23.44 H new ATOM 0 HH22 ARG A 3 8.846 -2.990 4.564 1.00 23.44 H new ATOM 59 N GLY A 4 5.106 -5.768 -1.174 1.00 13.21 N ATOM 60 CA GLY A 4 5.532 -7.094 -0.766 1.00 51.30 C ATOM 61 C GLY A 4 4.369 -7.979 -0.365 1.00 14.24 C ATOM 62 O GLY A 4 3.873 -7.892 0.760 1.00 65.15 O ATOM 0 H GLY A 4 4.207 -5.471 -0.794 1.00 13.21 H new ATOM 0 HA2 GLY A 4 6.077 -7.565 -1.584 1.00 51.30 H new ATOM 0 HA3 GLY A 4 6.225 -7.008 0.071 1.00 51.30 H new ATOM 66 N ILE A 5 3.930 -8.831 -1.285 1.00 44.21 N ATOM 67 CA ILE A 5 2.818 -9.734 -1.021 1.00 34.42 C ATOM 68 C ILE A 5 3.273 -10.946 -0.215 1.00 61.54 C ATOM 69 O ILE A 5 4.358 -11.483 -0.440 1.00 4.41 O ATOM 70 CB ILE A 5 2.162 -10.218 -2.328 1.00 41.30 C ATOM 71 CG1 ILE A 5 1.411 -9.068 -3.003 1.00 44.10 C ATOM 72 CG2 ILE A 5 1.222 -11.381 -2.050 1.00 54.14 C ATOM 73 CD1 ILE A 5 1.175 -9.286 -4.481 1.00 44.22 C ATOM 0 H ILE A 5 4.328 -8.915 -2.220 1.00 44.21 H new ATOM 0 HA ILE A 5 2.085 -9.170 -0.443 1.00 34.42 H new ATOM 0 HB ILE A 5 2.944 -10.563 -3.004 1.00 41.30 H new ATOM 0 HG12 ILE A 5 0.451 -8.931 -2.506 1.00 44.10 H new ATOM 0 HG13 ILE A 5 1.976 -8.146 -2.866 1.00 44.10 H new ATOM 0 HG21 ILE A 5 0.766 -11.712 -2.983 1.00 54.14 H new ATOM 0 HG22 ILE A 5 1.783 -12.205 -1.608 1.00 54.14 H new ATOM 0 HG23 ILE A 5 0.442 -11.061 -1.359 1.00 54.14 H new ATOM 0 HD11 ILE A 5 0.638 -8.432 -4.894 1.00 44.22 H new ATOM 0 HD12 ILE A 5 2.133 -9.393 -4.990 1.00 44.22 H new ATOM 0 HD13 ILE A 5 0.584 -10.190 -4.626 1.00 44.22 H new ATOM 85 N VAL A 6 2.435 -11.375 0.723 1.00 22.33 N ATOM 86 CA VAL A 6 2.750 -12.526 1.561 1.00 71.51 C ATOM 87 C VAL A 6 1.589 -13.514 1.597 1.00 14.52 C ATOM 88 O VAL A 6 0.446 -13.134 1.854 1.00 22.15 O ATOM 89 CB VAL A 6 3.089 -12.097 3.001 1.00 63.04 C ATOM 90 CG1 VAL A 6 3.766 -13.234 3.752 1.00 53.33 C ATOM 91 CG2 VAL A 6 3.968 -10.855 2.993 1.00 71.24 C ATOM 0 H VAL A 6 1.533 -10.943 0.922 1.00 22.33 H new ATOM 0 HA VAL A 6 3.621 -13.009 1.119 1.00 71.51 H new ATOM 0 HB VAL A 6 2.160 -11.855 3.518 1.00 63.04 H new ATOM 0 HG11 VAL A 6 3.998 -12.912 4.767 1.00 53.33 H new ATOM 0 HG12 VAL A 6 3.098 -14.095 3.788 1.00 53.33 H new ATOM 0 HG13 VAL A 6 4.687 -13.511 3.240 1.00 53.33 H new ATOM 0 HG21 VAL A 6 4.198 -10.565 4.018 1.00 71.24 H new ATOM 0 HG22 VAL A 6 4.894 -11.068 2.460 1.00 71.24 H new ATOM 0 HG23 VAL A 6 3.442 -10.040 2.495 1.00 71.24 H new ATOM 101 N TRP A 7 1.889 -14.781 1.338 1.00 12.03 N ATOM 102 CA TRP A 7 0.869 -15.824 1.342 1.00 41.22 C ATOM 103 C TRP A 7 1.034 -16.742 2.548 1.00 71.45 C ATOM 104 O TRP A 7 2.153 -17.043 2.962 1.00 22.45 O ATOM 105 CB TRP A 7 0.940 -16.640 0.050 1.00 4.30 C ATOM 106 CG TRP A 7 0.635 -15.836 -1.178 1.00 33.23 C ATOM 107 CD1 TRP A 7 0.138 -14.565 -1.222 1.00 42.34 C ATOM 108 CD2 TRP A 7 0.804 -16.251 -2.537 1.00 71.15 C ATOM 109 NE1 TRP A 7 -0.012 -14.164 -2.528 1.00 64.23 N ATOM 110 CE2 TRP A 7 0.391 -15.180 -3.354 1.00 73.32 C ATOM 111 CE3 TRP A 7 1.266 -17.422 -3.145 1.00 10.33 C ATOM 112 CZ2 TRP A 7 0.426 -15.248 -4.744 1.00 75.34 C ATOM 113 CZ3 TRP A 7 1.300 -17.488 -4.525 1.00 13.24 C ATOM 114 CH2 TRP A 7 0.882 -16.407 -5.312 1.00 44.42 C ATOM 0 H TRP A 7 2.830 -15.112 1.123 1.00 12.03 H new ATOM 0 HA TRP A 7 -0.107 -15.343 1.406 1.00 41.22 H new ATOM 0 HB2 TRP A 7 1.937 -17.071 -0.045 1.00 4.30 H new ATOM 0 HB3 TRP A 7 0.238 -17.471 0.115 1.00 4.30 H new ATOM 0 HD1 TRP A 7 -0.102 -13.963 -0.358 1.00 42.34 H new ATOM 0 HE1 TRP A 7 -0.366 -13.257 -2.833 1.00 64.23 H new ATOM 0 HE3 TRP A 7 1.591 -18.260 -2.547 1.00 10.33 H new ATOM 0 HZ2 TRP A 7 0.105 -14.416 -5.353 1.00 75.34 H new ATOM 0 HZ3 TRP A 7 1.655 -18.388 -5.005 1.00 13.24 H new ATOM 0 HH2 TRP A 7 0.920 -16.490 -6.388 1.00 44.42 H new ATOM 125 N VAL A 8 -0.088 -17.185 3.106 1.00 22.45 N ATOM 126 CA VAL A 8 -0.067 -18.071 4.264 1.00 21.24 C ATOM 127 C VAL A 8 -0.595 -19.456 3.907 1.00 51.14 C ATOM 128 O VAL A 8 -1.464 -19.598 3.046 1.00 43.42 O ATOM 129 CB VAL A 8 -0.903 -17.499 5.424 1.00 13.32 C ATOM 130 CG1 VAL A 8 -0.717 -18.335 6.681 1.00 44.01 C ATOM 131 CG2 VAL A 8 -0.533 -16.046 5.681 1.00 52.32 C ATOM 0 H VAL A 8 -1.023 -16.945 2.775 1.00 22.45 H new ATOM 0 HA VAL A 8 0.973 -18.152 4.581 1.00 21.24 H new ATOM 0 HB VAL A 8 -1.956 -17.539 5.143 1.00 13.32 H new ATOM 0 HG11 VAL A 8 -1.316 -17.915 7.489 1.00 44.01 H new ATOM 0 HG12 VAL A 8 -1.036 -19.359 6.487 1.00 44.01 H new ATOM 0 HG13 VAL A 8 0.334 -18.331 6.968 1.00 44.01 H new ATOM 0 HG21 VAL A 8 -1.133 -15.658 6.504 1.00 52.32 H new ATOM 0 HG22 VAL A 8 0.524 -15.980 5.940 1.00 52.32 H new ATOM 0 HG23 VAL A 8 -0.724 -15.458 4.783 1.00 52.32 H new ATOM 141 N VAL A 9 -0.065 -20.476 4.574 1.00 61.12 N ATOM 142 CA VAL A 9 -0.484 -21.851 4.328 1.00 42.22 C ATOM 143 C VAL A 9 -0.160 -22.745 5.519 1.00 61.51 C ATOM 144 O VAL A 9 0.884 -22.596 6.155 1.00 74.21 O ATOM 145 CB VAL A 9 0.191 -22.426 3.069 1.00 63.42 C ATOM 146 CG1 VAL A 9 1.647 -22.764 3.351 1.00 63.44 C ATOM 147 CG2 VAL A 9 -0.563 -23.651 2.573 1.00 23.22 C ATOM 0 H VAL A 9 0.656 -20.376 5.289 1.00 61.12 H new ATOM 0 HA VAL A 9 -1.563 -21.831 4.176 1.00 42.22 H new ATOM 0 HB VAL A 9 0.164 -21.669 2.285 1.00 63.42 H new ATOM 0 HG11 VAL A 9 2.108 -23.169 2.450 1.00 63.44 H new ATOM 0 HG12 VAL A 9 2.178 -21.862 3.656 1.00 63.44 H new ATOM 0 HG13 VAL A 9 1.701 -23.504 4.150 1.00 63.44 H new ATOM 0 HG21 VAL A 9 -0.072 -24.044 1.683 1.00 23.22 H new ATOM 0 HG22 VAL A 9 -0.569 -24.414 3.351 1.00 23.22 H new ATOM 0 HG23 VAL A 9 -1.588 -23.373 2.329 1.00 23.22 H new ATOM 157 N ASP A 10 -1.061 -23.676 5.815 1.00 2.32 N ATOM 158 CA ASP A 10 -0.871 -24.597 6.930 1.00 43.24 C ATOM 159 C ASP A 10 -1.920 -25.703 6.905 1.00 33.51 C ATOM 160 O ASP A 10 -1.703 -26.766 6.322 1.00 52.21 O ATOM 161 CB ASP A 10 -0.937 -23.843 8.259 1.00 71.30 C ATOM 162 CG ASP A 10 -1.015 -24.777 9.451 1.00 65.24 C ATOM 163 OD1 ASP A 10 -0.357 -25.838 9.416 1.00 21.12 O ATOM 164 OD2 ASP A 10 -1.734 -24.448 10.417 1.00 5.24 O ATOM 0 H ASP A 10 -1.930 -23.813 5.298 1.00 2.32 H new ATOM 0 HA ASP A 10 0.114 -25.053 6.829 1.00 43.24 H new ATOM 0 HB2 ASP A 10 -0.057 -23.207 8.357 1.00 71.30 H new ATOM 0 HB3 ASP A 10 -1.807 -23.186 8.258 1.00 71.30 H new ATOM 169 N ASP A 11 -3.057 -25.448 7.543 1.00 53.54 N ATOM 170 CA ASP A 11 -4.141 -26.422 7.594 1.00 11.11 C ATOM 171 C ASP A 11 -5.265 -25.937 8.504 1.00 11.14 C ATOM 172 O ASP A 11 -6.436 -26.243 8.279 1.00 61.32 O ATOM 173 CB ASP A 11 -3.618 -27.773 8.084 1.00 10.03 C ATOM 174 CG ASP A 11 -3.924 -28.898 7.115 1.00 25.23 C ATOM 175 OD1 ASP A 11 -5.119 -29.163 6.873 1.00 72.35 O ATOM 176 OD2 ASP A 11 -2.967 -29.514 6.600 1.00 22.44 O ATOM 0 H ASP A 11 -3.252 -24.575 8.032 1.00 53.54 H new ATOM 0 HA ASP A 11 -4.539 -26.539 6.586 1.00 11.11 H new ATOM 0 HB2 ASP A 11 -2.540 -27.709 8.234 1.00 10.03 H new ATOM 0 HB3 ASP A 11 -4.062 -28.001 9.053 1.00 10.03 H new ATOM 181 N ASP A 12 -4.901 -25.180 9.533 1.00 2.05 N ATOM 182 CA ASP A 12 -5.878 -24.652 10.478 1.00 33.44 C ATOM 183 C ASP A 12 -6.383 -23.284 10.031 1.00 2.02 C ATOM 184 O ASP A 12 -5.726 -22.594 9.252 1.00 53.24 O ATOM 185 CB ASP A 12 -5.266 -24.552 11.876 1.00 25.12 C ATOM 186 CG ASP A 12 -5.981 -25.427 12.886 1.00 30.42 C ATOM 187 OD1 ASP A 12 -5.696 -26.642 12.925 1.00 20.41 O ATOM 188 OD2 ASP A 12 -6.827 -24.898 13.637 1.00 3.44 O ATOM 0 H ASP A 12 -3.936 -24.918 9.734 1.00 2.05 H new ATOM 0 HA ASP A 12 -6.724 -25.339 10.509 1.00 33.44 H new ATOM 0 HB2 ASP A 12 -4.215 -24.839 11.831 1.00 25.12 H new ATOM 0 HB3 ASP A 12 -5.299 -23.515 12.210 1.00 25.12 H new ATOM 193 N SER A 13 -7.553 -22.899 10.529 1.00 13.34 N ATOM 194 CA SER A 13 -8.149 -21.615 10.177 1.00 5.23 C ATOM 195 C SER A 13 -7.460 -20.475 10.921 1.00 1.41 C ATOM 196 O SER A 13 -6.961 -19.531 10.308 1.00 24.01 O ATOM 197 CB SER A 13 -9.645 -21.618 10.497 1.00 4.53 C ATOM 198 OG SER A 13 -10.004 -20.481 11.263 1.00 13.13 O ATOM 0 H SER A 13 -8.108 -23.458 11.178 1.00 13.34 H new ATOM 0 HA SER A 13 -8.015 -21.461 9.106 1.00 5.23 H new ATOM 0 HB2 SER A 13 -10.218 -21.632 9.570 1.00 4.53 H new ATOM 0 HB3 SER A 13 -9.901 -22.525 11.044 1.00 4.53 H new ATOM 0 HG SER A 13 -10.965 -20.505 11.453 1.00 13.13 H new ATOM 204 N SER A 14 -7.438 -20.569 12.247 1.00 65.43 N ATOM 205 CA SER A 14 -6.814 -19.545 13.076 1.00 40.31 C ATOM 206 C SER A 14 -5.351 -19.349 12.689 1.00 13.40 C ATOM 207 O SER A 14 -4.878 -18.219 12.561 1.00 21.03 O ATOM 208 CB SER A 14 -6.916 -19.924 14.555 1.00 42.33 C ATOM 209 OG SER A 14 -8.265 -20.121 14.939 1.00 54.11 O ATOM 0 H SER A 14 -7.845 -21.344 12.770 1.00 65.43 H new ATOM 0 HA SER A 14 -7.344 -18.607 12.911 1.00 40.31 H new ATOM 0 HB2 SER A 14 -6.345 -20.834 14.741 1.00 42.33 H new ATOM 0 HB3 SER A 14 -6.472 -19.139 15.166 1.00 42.33 H new ATOM 0 HG SER A 14 -8.303 -20.364 15.888 1.00 54.11 H new ATOM 215 N ILE A 15 -4.641 -20.456 12.504 1.00 32.31 N ATOM 216 CA ILE A 15 -3.233 -20.407 12.131 1.00 71.12 C ATOM 217 C ILE A 15 -3.011 -19.476 10.943 1.00 34.44 C ATOM 218 O ILE A 15 -2.036 -18.726 10.904 1.00 54.24 O ATOM 219 CB ILE A 15 -2.695 -21.807 11.779 1.00 4.54 C ATOM 220 CG1 ILE A 15 -2.695 -22.703 13.019 1.00 30.22 C ATOM 221 CG2 ILE A 15 -1.294 -21.703 11.194 1.00 71.50 C ATOM 222 CD1 ILE A 15 -1.899 -22.137 14.175 1.00 75.15 C ATOM 0 H ILE A 15 -5.018 -21.398 12.606 1.00 32.31 H new ATOM 0 HA ILE A 15 -2.690 -20.025 12.996 1.00 71.12 H new ATOM 0 HB ILE A 15 -3.349 -22.255 11.030 1.00 4.54 H new ATOM 0 HG12 ILE A 15 -3.724 -22.863 13.341 1.00 30.22 H new ATOM 0 HG13 ILE A 15 -2.289 -23.679 12.752 1.00 30.22 H new ATOM 0 HG21 ILE A 15 -0.927 -22.700 10.950 1.00 71.50 H new ATOM 0 HG22 ILE A 15 -1.322 -21.095 10.290 1.00 71.50 H new ATOM 0 HG23 ILE A 15 -0.629 -21.240 11.923 1.00 71.50 H new ATOM 0 HD11 ILE A 15 -1.944 -22.825 15.019 1.00 75.15 H new ATOM 0 HD12 ILE A 15 -0.861 -22.003 13.871 1.00 75.15 H new ATOM 0 HD13 ILE A 15 -2.318 -21.175 14.469 1.00 75.15 H new ATOM 234 N ARG A 16 -3.924 -19.530 9.978 1.00 4.23 N ATOM 235 CA ARG A 16 -3.828 -18.691 8.790 1.00 72.13 C ATOM 236 C ARG A 16 -4.378 -17.294 9.064 1.00 21.43 C ATOM 237 O ARG A 16 -4.012 -16.330 8.393 1.00 40.32 O ATOM 238 CB ARG A 16 -4.588 -19.330 7.626 1.00 34.31 C ATOM 239 CG ARG A 16 -4.104 -20.728 7.277 1.00 34.21 C ATOM 240 CD ARG A 16 -4.975 -21.369 6.208 1.00 54.53 C ATOM 241 NE ARG A 16 -6.302 -21.711 6.715 1.00 44.04 N ATOM 242 CZ ARG A 16 -7.356 -21.919 5.933 1.00 23.25 C ATOM 243 NH1 ARG A 16 -7.239 -21.821 4.616 1.00 2.35 N ATOM 244 NH2 ARG A 16 -8.530 -22.227 6.470 1.00 63.23 N ATOM 0 H ARG A 16 -4.737 -20.145 9.996 1.00 4.23 H new ATOM 0 HA ARG A 16 -2.775 -18.602 8.523 1.00 72.13 H new ATOM 0 HB2 ARG A 16 -5.648 -19.373 7.876 1.00 34.31 H new ATOM 0 HB3 ARG A 16 -4.493 -18.692 6.747 1.00 34.31 H new ATOM 0 HG2 ARG A 16 -3.073 -20.680 6.927 1.00 34.21 H new ATOM 0 HG3 ARG A 16 -4.108 -21.350 8.172 1.00 34.21 H new ATOM 0 HD2 ARG A 16 -5.074 -20.686 5.364 1.00 54.53 H new ATOM 0 HD3 ARG A 16 -4.487 -22.269 5.834 1.00 54.53 H new ATOM 0 HE ARG A 16 -6.426 -21.795 7.724 1.00 44.04 H new ATOM 0 HH11 ARG A 16 -6.338 -21.585 4.200 1.00 2.35 H new ATOM 0 HH12 ARG A 16 -8.050 -21.981 4.019 1.00 2.35 H new ATOM 0 HH21 ARG A 16 -8.623 -22.304 7.483 1.00 63.23 H new ATOM 0 HH22 ARG A 16 -9.339 -22.387 5.870 1.00 63.23 H new ATOM 258 N TRP A 17 -5.258 -17.195 10.054 1.00 42.11 N ATOM 259 CA TRP A 17 -5.858 -15.916 10.417 1.00 74.23 C ATOM 260 C TRP A 17 -4.832 -14.999 11.072 1.00 21.13 C ATOM 261 O TRP A 17 -4.672 -13.845 10.675 1.00 75.04 O ATOM 262 CB TRP A 17 -7.042 -16.135 11.361 1.00 42.12 C ATOM 263 CG TRP A 17 -7.430 -14.904 12.122 1.00 5.44 C ATOM 264 CD1 TRP A 17 -8.288 -13.923 11.713 1.00 22.23 C ATOM 265 CD2 TRP A 17 -6.971 -14.521 13.424 1.00 51.03 C ATOM 266 NE1 TRP A 17 -8.391 -12.954 12.682 1.00 24.10 N ATOM 267 CE2 TRP A 17 -7.593 -13.298 13.742 1.00 54.25 C ATOM 268 CE3 TRP A 17 -6.098 -15.093 14.352 1.00 25.30 C ATOM 269 CZ2 TRP A 17 -7.367 -12.639 14.947 1.00 32.22 C ATOM 270 CZ3 TRP A 17 -5.874 -14.438 15.548 1.00 21.30 C ATOM 271 CH2 TRP A 17 -6.507 -13.222 15.838 1.00 70.34 C ATOM 0 H TRP A 17 -5.572 -17.984 10.619 1.00 42.11 H new ATOM 0 HA TRP A 17 -6.213 -15.438 9.504 1.00 74.23 H new ATOM 0 HB2 TRP A 17 -7.899 -16.482 10.783 1.00 42.12 H new ATOM 0 HB3 TRP A 17 -6.793 -16.927 12.067 1.00 42.12 H new ATOM 0 HD1 TRP A 17 -8.809 -13.911 10.767 1.00 22.23 H new ATOM 0 HE1 TRP A 17 -8.968 -12.115 12.622 1.00 24.10 H new ATOM 0 HE3 TRP A 17 -5.607 -16.031 14.139 1.00 25.30 H new ATOM 0 HZ2 TRP A 17 -7.853 -11.701 15.171 1.00 32.22 H new ATOM 0 HZ3 TRP A 17 -5.199 -14.871 16.272 1.00 21.30 H new ATOM 0 HH2 TRP A 17 -6.313 -12.736 16.782 1.00 70.34 H new ATOM 282 N VAL A 18 -4.137 -15.520 12.079 1.00 12.51 N ATOM 283 CA VAL A 18 -3.125 -14.747 12.789 1.00 64.20 C ATOM 284 C VAL A 18 -2.206 -14.018 11.815 1.00 73.25 C ATOM 285 O VAL A 18 -1.759 -12.902 12.082 1.00 14.02 O ATOM 286 CB VAL A 18 -2.273 -15.646 13.705 1.00 30.10 C ATOM 287 CG1 VAL A 18 -3.157 -16.390 14.695 1.00 43.22 C ATOM 288 CG2 VAL A 18 -1.448 -16.620 12.877 1.00 32.35 C ATOM 0 H VAL A 18 -4.256 -16.474 12.421 1.00 12.51 H new ATOM 0 HA VAL A 18 -3.656 -14.016 13.400 1.00 64.20 H new ATOM 0 HB VAL A 18 -1.588 -15.014 14.270 1.00 30.10 H new ATOM 0 HG11 VAL A 18 -2.538 -17.020 15.334 1.00 43.22 H new ATOM 0 HG12 VAL A 18 -3.699 -15.672 15.310 1.00 43.22 H new ATOM 0 HG13 VAL A 18 -3.868 -17.012 14.152 1.00 43.22 H new ATOM 0 HG21 VAL A 18 -0.852 -17.247 13.540 1.00 32.35 H new ATOM 0 HG22 VAL A 18 -2.113 -17.248 12.284 1.00 32.35 H new ATOM 0 HG23 VAL A 18 -0.787 -16.064 12.213 1.00 32.35 H new ATOM 298 N LEU A 19 -1.928 -14.656 10.683 1.00 55.44 N ATOM 299 CA LEU A 19 -1.063 -14.068 9.666 1.00 11.30 C ATOM 300 C LEU A 19 -1.858 -13.162 8.731 1.00 35.22 C ATOM 301 O LEU A 19 -1.349 -12.150 8.251 1.00 74.22 O ATOM 302 CB LEU A 19 -0.369 -15.168 8.861 1.00 50.42 C ATOM 303 CG LEU A 19 0.915 -15.735 9.467 1.00 10.22 C ATOM 304 CD1 LEU A 19 1.306 -17.030 8.773 1.00 31.54 C ATOM 305 CD2 LEU A 19 2.043 -14.717 9.376 1.00 72.33 C ATOM 0 H LEU A 19 -2.289 -15.580 10.446 1.00 55.44 H new ATOM 0 HA LEU A 19 -0.309 -13.465 10.171 1.00 11.30 H new ATOM 0 HB2 LEU A 19 -1.074 -15.988 8.721 1.00 50.42 H new ATOM 0 HB3 LEU A 19 -0.137 -14.775 7.871 1.00 50.42 H new ATOM 0 HG LEU A 19 0.732 -15.952 10.520 1.00 10.22 H new ATOM 0 HD11 LEU A 19 2.222 -17.419 9.218 1.00 31.54 H new ATOM 0 HD12 LEU A 19 0.507 -17.762 8.891 1.00 31.54 H new ATOM 0 HD13 LEU A 19 1.470 -16.839 7.712 1.00 31.54 H new ATOM 0 HD21 LEU A 19 2.949 -15.138 9.812 1.00 72.33 H new ATOM 0 HD22 LEU A 19 2.225 -14.468 8.331 1.00 72.33 H new ATOM 0 HD23 LEU A 19 1.764 -13.815 9.920 1.00 72.33 H new ATOM 317 N GLU A 20 -3.110 -13.533 8.480 1.00 51.13 N ATOM 318 CA GLU A 20 -3.976 -12.753 7.603 1.00 2.54 C ATOM 319 C GLU A 20 -4.287 -11.391 8.218 1.00 44.32 C ATOM 320 O GLU A 20 -4.137 -10.356 7.568 1.00 54.04 O ATOM 321 CB GLU A 20 -5.277 -13.509 7.329 1.00 30.53 C ATOM 322 CG GLU A 20 -5.650 -13.566 5.857 1.00 24.23 C ATOM 323 CD GLU A 20 -6.673 -12.515 5.474 1.00 60.04 C ATOM 324 OE1 GLU A 20 -6.646 -11.416 6.066 1.00 41.15 O ATOM 325 OE2 GLU A 20 -7.501 -12.792 4.581 1.00 60.24 O ATOM 0 H GLU A 20 -3.547 -14.368 8.871 1.00 51.13 H new ATOM 0 HA GLU A 20 -3.450 -12.597 6.661 1.00 2.54 H new ATOM 0 HB2 GLU A 20 -5.184 -14.526 7.711 1.00 30.53 H new ATOM 0 HB3 GLU A 20 -6.087 -13.034 7.882 1.00 30.53 H new ATOM 0 HG2 GLU A 20 -4.753 -13.431 5.253 1.00 24.23 H new ATOM 0 HG3 GLU A 20 -6.046 -14.555 5.624 1.00 24.23 H new ATOM 332 N ARG A 21 -4.720 -11.400 9.474 1.00 1.12 N ATOM 333 CA ARG A 21 -5.054 -10.167 10.176 1.00 3.43 C ATOM 334 C ARG A 21 -3.841 -9.245 10.262 1.00 2.34 C ATOM 335 O ARG A 21 -3.980 -8.035 10.442 1.00 63.24 O ATOM 336 CB ARG A 21 -5.571 -10.479 11.582 1.00 52.23 C ATOM 337 CG ARG A 21 -4.540 -11.149 12.475 1.00 13.24 C ATOM 338 CD ARG A 21 -4.786 -10.834 13.943 1.00 73.04 C ATOM 339 NE ARG A 21 -3.830 -9.860 14.461 1.00 2.22 N ATOM 340 CZ ARG A 21 -4.026 -9.155 15.570 1.00 34.52 C ATOM 341 NH1 ARG A 21 -5.139 -9.317 16.274 1.00 44.24 N ATOM 342 NH2 ARG A 21 -3.109 -8.288 15.978 1.00 41.11 N ATOM 0 H ARG A 21 -4.848 -12.248 10.027 1.00 1.12 H new ATOM 0 HA ARG A 21 -5.837 -9.659 9.613 1.00 3.43 H new ATOM 0 HB2 ARG A 21 -5.900 -9.553 12.053 1.00 52.23 H new ATOM 0 HB3 ARG A 21 -6.446 -11.125 11.503 1.00 52.23 H new ATOM 0 HG2 ARG A 21 -4.571 -12.228 12.323 1.00 13.24 H new ATOM 0 HG3 ARG A 21 -3.541 -10.816 12.193 1.00 13.24 H new ATOM 0 HD2 ARG A 21 -5.798 -10.449 14.067 1.00 73.04 H new ATOM 0 HD3 ARG A 21 -4.720 -11.752 14.527 1.00 73.04 H new ATOM 0 HE ARG A 21 -2.964 -9.713 13.943 1.00 2.22 H new ATOM 0 HH11 ARG A 21 -5.846 -9.984 15.964 1.00 44.24 H new ATOM 0 HH12 ARG A 21 -5.288 -8.775 17.125 1.00 44.24 H new ATOM 0 HH21 ARG A 21 -2.252 -8.162 15.440 1.00 41.11 H new ATOM 0 HH22 ARG A 21 -3.261 -7.748 16.830 1.00 41.11 H new ATOM 356 N ALA A 22 -2.652 -9.825 10.134 1.00 74.41 N ATOM 357 CA ALA A 22 -1.416 -9.056 10.196 1.00 63.43 C ATOM 358 C ALA A 22 -1.251 -8.181 8.958 1.00 71.33 C ATOM 359 O ALA A 22 -0.898 -7.005 9.058 1.00 32.45 O ATOM 360 CB ALA A 22 -0.222 -9.988 10.349 1.00 52.44 C ATOM 0 H ALA A 22 -2.519 -10.826 9.987 1.00 74.41 H new ATOM 0 HA ALA A 22 -1.467 -8.402 11.067 1.00 63.43 H new ATOM 0 HB1 ALA A 22 0.695 -9.400 10.394 1.00 52.44 H new ATOM 0 HB2 ALA A 22 -0.327 -10.567 11.267 1.00 52.44 H new ATOM 0 HB3 ALA A 22 -0.177 -10.665 9.496 1.00 52.44 H new ATOM 366 N LEU A 23 -1.508 -8.761 7.791 1.00 63.44 N ATOM 367 CA LEU A 23 -1.387 -8.034 6.532 1.00 73.02 C ATOM 368 C LEU A 23 -2.660 -7.249 6.232 1.00 35.15 C ATOM 369 O LEU A 23 -2.610 -6.159 5.663 1.00 31.24 O ATOM 370 CB LEU A 23 -1.091 -9.003 5.386 1.00 31.52 C ATOM 371 CG LEU A 23 0.036 -10.008 5.631 1.00 14.22 C ATOM 372 CD1 LEU A 23 -0.023 -11.135 4.612 1.00 41.22 C ATOM 373 CD2 LEU A 23 1.389 -9.313 5.584 1.00 33.32 C ATOM 0 H LEU A 23 -1.802 -9.733 7.690 1.00 63.44 H new ATOM 0 HA LEU A 23 -0.561 -7.330 6.627 1.00 73.02 H new ATOM 0 HB2 LEU A 23 -2.002 -9.557 5.161 1.00 31.52 H new ATOM 0 HB3 LEU A 23 -0.845 -8.420 4.498 1.00 31.52 H new ATOM 0 HG LEU A 23 -0.095 -10.438 6.624 1.00 14.22 H new ATOM 0 HD11 LEU A 23 0.786 -11.840 4.802 1.00 41.22 H new ATOM 0 HD12 LEU A 23 -0.980 -11.650 4.694 1.00 41.22 H new ATOM 0 HD13 LEU A 23 0.082 -10.724 3.608 1.00 41.22 H new ATOM 0 HD21 LEU A 23 2.179 -10.043 5.760 1.00 33.32 H new ATOM 0 HD22 LEU A 23 1.529 -8.856 4.605 1.00 33.32 H new ATOM 0 HD23 LEU A 23 1.429 -8.542 6.353 1.00 33.32 H new ATOM 385 N ALA A 24 -3.801 -7.810 6.622 1.00 64.01 N ATOM 386 CA ALA A 24 -5.087 -7.161 6.399 1.00 5.22 C ATOM 387 C ALA A 24 -5.070 -5.722 6.905 1.00 60.24 C ATOM 388 O ALA A 24 -5.751 -4.855 6.360 1.00 40.44 O ATOM 389 CB ALA A 24 -6.199 -7.947 7.076 1.00 31.32 C ATOM 0 H ALA A 24 -3.860 -8.712 7.094 1.00 64.01 H new ATOM 0 HA ALA A 24 -5.274 -7.139 5.325 1.00 5.22 H new ATOM 0 HB1 ALA A 24 -7.154 -7.451 6.901 1.00 31.32 H new ATOM 0 HB2 ALA A 24 -6.234 -8.956 6.665 1.00 31.32 H new ATOM 0 HB3 ALA A 24 -6.008 -7.998 8.148 1.00 31.32 H new ATOM 395 N GLY A 25 -4.287 -5.476 7.951 1.00 34.21 N ATOM 396 CA GLY A 25 -4.198 -4.141 8.513 1.00 60.10 C ATOM 397 C GLY A 25 -3.156 -3.288 7.817 1.00 1.03 C ATOM 398 O GLY A 25 -3.227 -2.060 7.849 1.00 13.15 O ATOM 0 H GLY A 25 -3.713 -6.177 8.419 1.00 34.21 H new ATOM 0 HA2 GLY A 25 -5.170 -3.654 8.440 1.00 60.10 H new ATOM 0 HA3 GLY A 25 -3.956 -4.212 9.573 1.00 60.10 H new ATOM 402 N ALA A 26 -2.184 -3.940 7.188 1.00 61.02 N ATOM 403 CA ALA A 26 -1.123 -3.233 6.481 1.00 22.22 C ATOM 404 C ALA A 26 -1.453 -3.086 5.000 1.00 52.02 C ATOM 405 O ALA A 26 -2.575 -3.357 4.574 1.00 12.22 O ATOM 406 CB ALA A 26 0.203 -3.958 6.659 1.00 42.22 C ATOM 0 H ALA A 26 -2.109 -4.957 7.153 1.00 61.02 H new ATOM 0 HA ALA A 26 -1.039 -2.234 6.908 1.00 22.22 H new ATOM 0 HB1 ALA A 26 0.987 -3.419 6.126 1.00 42.22 H new ATOM 0 HB2 ALA A 26 0.452 -4.006 7.719 1.00 42.22 H new ATOM 0 HB3 ALA A 26 0.121 -4.969 6.260 1.00 42.22 H new ATOM 412 N GLY A 27 -0.468 -2.654 4.218 1.00 1.04 N ATOM 413 CA GLY A 27 -0.675 -2.477 2.793 1.00 62.41 C ATOM 414 C GLY A 27 -0.093 -3.615 1.977 1.00 1.13 C ATOM 415 O GLY A 27 0.548 -3.388 0.950 1.00 3.14 O ATOM 0 H GLY A 27 0.470 -2.424 4.546 1.00 1.04 H new ATOM 0 HA2 GLY A 27 -1.743 -2.398 2.591 1.00 62.41 H new ATOM 0 HA3 GLY A 27 -0.221 -1.538 2.477 1.00 62.41 H new ATOM 419 N LEU A 28 -0.314 -4.842 2.435 1.00 74.33 N ATOM 420 CA LEU A 28 0.194 -6.021 1.741 1.00 3.42 C ATOM 421 C LEU A 28 -0.902 -7.067 1.570 1.00 21.42 C ATOM 422 O LEU A 28 -1.688 -7.315 2.486 1.00 63.25 O ATOM 423 CB LEU A 28 1.373 -6.620 2.510 1.00 34.44 C ATOM 424 CG LEU A 28 1.931 -5.771 3.653 1.00 54.12 C ATOM 425 CD1 LEU A 28 2.891 -6.586 4.505 1.00 74.51 C ATOM 426 CD2 LEU A 28 2.622 -4.530 3.106 1.00 32.24 C ATOM 0 H LEU A 28 -0.841 -5.047 3.284 1.00 74.33 H new ATOM 0 HA LEU A 28 0.532 -5.713 0.752 1.00 3.42 H new ATOM 0 HB2 LEU A 28 1.064 -7.583 2.917 1.00 34.44 H new ATOM 0 HB3 LEU A 28 2.179 -6.817 1.803 1.00 34.44 H new ATOM 0 HG LEU A 28 1.100 -5.453 4.283 1.00 54.12 H new ATOM 0 HD11 LEU A 28 3.278 -5.965 5.313 1.00 74.51 H new ATOM 0 HD12 LEU A 28 2.366 -7.443 4.926 1.00 74.51 H new ATOM 0 HD13 LEU A 28 3.719 -6.935 3.888 1.00 74.51 H new ATOM 0 HD21 LEU A 28 3.013 -3.937 3.933 1.00 32.24 H new ATOM 0 HD22 LEU A 28 3.442 -4.828 2.453 1.00 32.24 H new ATOM 0 HD23 LEU A 28 1.906 -3.935 2.540 1.00 32.24 H new ATOM 438 N THR A 29 -0.948 -7.682 0.392 1.00 12.40 N ATOM 439 CA THR A 29 -1.947 -8.702 0.101 1.00 63.50 C ATOM 440 C THR A 29 -1.797 -9.899 1.033 1.00 31.40 C ATOM 441 O THR A 29 -0.731 -10.121 1.608 1.00 2.32 O ATOM 442 CB THR A 29 -1.847 -9.187 -1.358 1.00 5.41 C ATOM 443 OG1 THR A 29 -1.696 -8.066 -2.237 1.00 23.04 O ATOM 444 CG2 THR A 29 -3.082 -9.982 -1.750 1.00 73.31 C ATOM 0 H THR A 29 -0.304 -7.491 -0.376 1.00 12.40 H new ATOM 0 HA THR A 29 -2.923 -8.242 0.257 1.00 63.50 H new ATOM 0 HB THR A 29 -0.975 -9.836 -1.443 1.00 5.41 H new ATOM 0 HG1 THR A 29 -1.631 -8.382 -3.162 1.00 23.04 H new ATOM 0 HG21 THR A 29 -2.988 -10.314 -2.784 1.00 73.31 H new ATOM 0 HG22 THR A 29 -3.178 -10.850 -1.098 1.00 73.31 H new ATOM 0 HG23 THR A 29 -3.967 -9.353 -1.650 1.00 73.31 H new ATOM 452 N CYS A 30 -2.870 -10.668 1.177 1.00 35.54 N ATOM 453 CA CYS A 30 -2.858 -11.844 2.041 1.00 71.23 C ATOM 454 C CYS A 30 -3.633 -12.994 1.405 1.00 51.32 C ATOM 455 O CYS A 30 -4.846 -12.906 1.207 1.00 4.04 O ATOM 456 CB CYS A 30 -3.455 -11.505 3.407 1.00 23.35 C ATOM 457 SG CYS A 30 -5.032 -10.624 3.327 1.00 63.43 S ATOM 0 H CYS A 30 -3.759 -10.499 0.707 1.00 35.54 H new ATOM 0 HA CYS A 30 -1.822 -12.157 2.173 1.00 71.23 H new ATOM 0 HB2 CYS A 30 -3.595 -12.428 3.969 1.00 23.35 H new ATOM 0 HB3 CYS A 30 -2.740 -10.898 3.963 1.00 23.35 H new ATOM 0 HG CYS A 30 -5.767 -11.135 2.385 1.00 63.43 H new ATOM 463 N THR A 31 -2.925 -14.072 1.084 1.00 20.20 N ATOM 464 CA THR A 31 -3.545 -15.238 0.468 1.00 71.23 C ATOM 465 C THR A 31 -3.336 -16.486 1.318 1.00 62.11 C ATOM 466 O THR A 31 -2.213 -16.969 1.465 1.00 64.42 O ATOM 467 CB THR A 31 -2.984 -15.493 -0.944 1.00 41.40 C ATOM 468 OG1 THR A 31 -2.898 -14.259 -1.667 1.00 30.43 O ATOM 469 CG2 THR A 31 -3.862 -16.473 -1.707 1.00 21.12 C ATOM 0 H THR A 31 -1.921 -14.162 1.241 1.00 20.20 H new ATOM 0 HA THR A 31 -4.612 -15.026 0.395 1.00 71.23 H new ATOM 0 HB THR A 31 -1.988 -15.925 -0.843 1.00 41.40 H new ATOM 0 HG1 THR A 31 -1.958 -14.054 -1.854 1.00 30.43 H new ATOM 0 HG21 THR A 31 -3.446 -16.637 -2.701 1.00 21.12 H new ATOM 0 HG22 THR A 31 -3.902 -17.420 -1.169 1.00 21.12 H new ATOM 0 HG23 THR A 31 -4.869 -16.065 -1.798 1.00 21.12 H new ATOM 477 N THR A 32 -4.425 -17.005 1.877 1.00 64.43 N ATOM 478 CA THR A 32 -4.360 -18.197 2.713 1.00 71.31 C ATOM 479 C THR A 32 -4.822 -19.432 1.947 1.00 13.22 C ATOM 480 O THR A 32 -5.896 -19.435 1.344 1.00 3.21 O ATOM 481 CB THR A 32 -5.221 -18.041 3.981 1.00 70.44 C ATOM 482 OG1 THR A 32 -6.608 -18.178 3.651 1.00 42.00 O ATOM 483 CG2 THR A 32 -4.981 -16.689 4.635 1.00 61.21 C ATOM 0 H THR A 32 -5.362 -16.618 1.766 1.00 64.43 H new ATOM 0 HA THR A 32 -3.317 -18.323 3.004 1.00 71.31 H new ATOM 0 HB THR A 32 -4.937 -18.823 4.685 1.00 70.44 H new ATOM 0 HG1 THR A 32 -6.694 -18.548 2.748 1.00 42.00 H new ATOM 0 HG21 THR A 32 -5.600 -16.602 5.528 1.00 61.21 H new ATOM 0 HG22 THR A 32 -3.930 -16.600 4.911 1.00 61.21 H new ATOM 0 HG23 THR A 32 -5.241 -15.895 3.935 1.00 61.21 H new ATOM 491 N PHE A 33 -4.006 -20.480 1.976 1.00 60.03 N ATOM 492 CA PHE A 33 -4.332 -21.722 1.283 1.00 4.55 C ATOM 493 C PHE A 33 -4.585 -22.849 2.280 1.00 64.44 C ATOM 494 O PHE A 33 -4.671 -22.618 3.485 1.00 30.21 O ATOM 495 CB PHE A 33 -3.199 -22.111 0.331 1.00 31.53 C ATOM 496 CG PHE A 33 -2.963 -21.108 -0.761 1.00 63.55 C ATOM 497 CD1 PHE A 33 -2.125 -20.025 -0.556 1.00 4.43 C ATOM 498 CD2 PHE A 33 -3.579 -21.249 -1.994 1.00 71.44 C ATOM 499 CE1 PHE A 33 -1.905 -19.100 -1.559 1.00 45.13 C ATOM 500 CE2 PHE A 33 -3.363 -20.328 -3.002 1.00 25.32 C ATOM 501 CZ PHE A 33 -2.525 -19.252 -2.784 1.00 12.44 C ATOM 0 H PHE A 33 -3.115 -20.495 2.471 1.00 60.03 H new ATOM 0 HA PHE A 33 -5.242 -21.560 0.706 1.00 4.55 H new ATOM 0 HB2 PHE A 33 -2.280 -22.235 0.904 1.00 31.53 H new ATOM 0 HB3 PHE A 33 -3.428 -23.078 -0.118 1.00 31.53 H new ATOM 0 HD1 PHE A 33 -1.637 -19.902 0.400 1.00 4.43 H new ATOM 0 HD2 PHE A 33 -4.236 -22.088 -2.170 1.00 71.44 H new ATOM 0 HE1 PHE A 33 -1.249 -18.260 -1.385 1.00 45.13 H new ATOM 0 HE2 PHE A 33 -3.849 -20.450 -3.959 1.00 25.32 H new ATOM 0 HZ PHE A 33 -2.355 -18.531 -3.570 1.00 12.44 H new ATOM 511 N GLU A 34 -4.703 -24.070 1.766 1.00 41.45 N ATOM 512 CA GLU A 34 -4.948 -25.233 2.610 1.00 65.12 C ATOM 513 C GLU A 34 -3.821 -26.253 2.470 1.00 31.12 C ATOM 514 O GLU A 34 -3.335 -26.796 3.461 1.00 4.54 O ATOM 515 CB GLU A 34 -6.285 -25.882 2.248 1.00 53.54 C ATOM 516 CG GLU A 34 -7.415 -24.883 2.062 1.00 52.25 C ATOM 517 CD GLU A 34 -8.739 -25.552 1.748 1.00 15.24 C ATOM 518 OE1 GLU A 34 -8.842 -26.194 0.682 1.00 45.31 O ATOM 519 OE2 GLU A 34 -9.673 -25.434 2.569 1.00 53.52 O ATOM 0 H GLU A 34 -4.633 -24.279 0.770 1.00 41.45 H new ATOM 0 HA GLU A 34 -4.985 -24.897 3.646 1.00 65.12 H new ATOM 0 HB2 GLU A 34 -6.164 -26.456 1.329 1.00 53.54 H new ATOM 0 HB3 GLU A 34 -6.561 -26.588 3.031 1.00 53.54 H new ATOM 0 HG2 GLU A 34 -7.520 -24.286 2.968 1.00 52.25 H new ATOM 0 HG3 GLU A 34 -7.159 -24.196 1.255 1.00 52.25 H new ATOM 526 N ASN A 35 -3.412 -26.509 1.232 1.00 54.24 N ATOM 527 CA ASN A 35 -2.344 -27.464 0.961 1.00 34.32 C ATOM 528 C ASN A 35 -1.188 -26.794 0.225 1.00 11.14 C ATOM 529 O ASN A 35 -1.391 -26.101 -0.771 1.00 22.40 O ATOM 530 CB ASN A 35 -2.878 -28.637 0.135 1.00 3.24 C ATOM 531 CG ASN A 35 -2.926 -29.928 0.929 1.00 32.11 C ATOM 532 OD1 ASN A 35 -1.994 -30.254 1.664 1.00 44.41 O ATOM 533 ND2 ASN A 35 -4.017 -30.671 0.784 1.00 73.14 N ATOM 0 H ASN A 35 -3.804 -26.068 0.400 1.00 54.24 H new ATOM 0 HA ASN A 35 -1.975 -27.838 1.916 1.00 34.32 H new ATOM 0 HB2 ASN A 35 -3.878 -28.398 -0.226 1.00 3.24 H new ATOM 0 HB3 ASN A 35 -2.247 -28.777 -0.743 1.00 3.24 H new ATOM 0 HD21 ASN A 35 -4.106 -31.550 1.293 1.00 73.14 H new ATOM 0 HD22 ASN A 35 -4.766 -30.362 0.164 1.00 73.14 H new ATOM 540 N GLY A 36 0.026 -27.006 0.724 1.00 1.12 N ATOM 541 CA GLY A 36 1.197 -26.416 0.102 1.00 60.11 C ATOM 542 C GLY A 36 1.283 -26.723 -1.380 1.00 31.41 C ATOM 543 O GLY A 36 1.709 -25.883 -2.171 1.00 74.11 O ATOM 0 H GLY A 36 0.219 -27.576 1.548 1.00 1.12 H new ATOM 0 HA2 GLY A 36 1.175 -25.336 0.245 1.00 60.11 H new ATOM 0 HA3 GLY A 36 2.094 -26.786 0.599 1.00 60.11 H new ATOM 547 N ASN A 37 0.879 -27.932 -1.756 1.00 72.43 N ATOM 548 CA ASN A 37 0.914 -28.350 -3.153 1.00 43.54 C ATOM 549 C ASN A 37 0.093 -27.404 -4.024 1.00 75.24 C ATOM 550 O ASN A 37 0.318 -27.302 -5.230 1.00 4.44 O ATOM 551 CB ASN A 37 0.387 -29.779 -3.294 1.00 52.20 C ATOM 552 CG ASN A 37 0.870 -30.451 -4.564 1.00 65.24 C ATOM 553 OD1 ASN A 37 0.446 -30.101 -5.666 1.00 4.43 O ATOM 554 ND2 ASN A 37 1.763 -31.423 -4.416 1.00 71.42 N ATOM 0 H ASN A 37 0.524 -28.640 -1.113 1.00 72.43 H new ATOM 0 HA ASN A 37 1.950 -28.318 -3.490 1.00 43.54 H new ATOM 0 HB2 ASN A 37 0.704 -30.367 -2.432 1.00 52.20 H new ATOM 0 HB3 ASN A 37 -0.703 -29.764 -3.286 1.00 52.20 H new ATOM 0 HD21 ASN A 37 2.125 -31.912 -5.235 1.00 71.42 H new ATOM 0 HD22 ASN A 37 2.087 -31.680 -3.484 1.00 71.42 H new ATOM 561 N GLU A 38 -0.861 -26.716 -3.405 1.00 0.33 N ATOM 562 CA GLU A 38 -1.716 -25.779 -4.124 1.00 72.01 C ATOM 563 C GLU A 38 -1.097 -24.384 -4.147 1.00 71.53 C ATOM 564 O GLU A 38 -1.513 -23.521 -4.920 1.00 30.00 O ATOM 565 CB GLU A 38 -3.103 -25.723 -3.480 1.00 52.53 C ATOM 566 CG GLU A 38 -3.545 -27.042 -2.870 1.00 1.13 C ATOM 567 CD GLU A 38 -3.614 -28.162 -3.889 1.00 73.30 C ATOM 568 OE1 GLU A 38 -3.681 -27.861 -5.099 1.00 22.20 O ATOM 569 OE2 GLU A 38 -3.602 -29.341 -3.476 1.00 3.11 O ATOM 0 H GLU A 38 -1.061 -26.790 -2.408 1.00 0.33 H new ATOM 0 HA GLU A 38 -1.814 -26.131 -5.151 1.00 72.01 H new ATOM 0 HB2 GLU A 38 -3.104 -24.956 -2.706 1.00 52.53 H new ATOM 0 HB3 GLU A 38 -3.831 -25.418 -4.232 1.00 52.53 H new ATOM 0 HG2 GLU A 38 -2.853 -27.321 -2.076 1.00 1.13 H new ATOM 0 HG3 GLU A 38 -4.524 -26.915 -2.409 1.00 1.13 H new ATOM 576 N VAL A 39 -0.100 -24.172 -3.294 1.00 13.41 N ATOM 577 CA VAL A 39 0.577 -22.883 -3.216 1.00 23.01 C ATOM 578 C VAL A 39 1.739 -22.812 -4.201 1.00 33.41 C ATOM 579 O VAL A 39 1.991 -21.770 -4.807 1.00 75.13 O ATOM 580 CB VAL A 39 1.106 -22.612 -1.795 1.00 25.30 C ATOM 581 CG1 VAL A 39 1.447 -21.140 -1.623 1.00 53.33 C ATOM 582 CG2 VAL A 39 0.090 -23.058 -0.755 1.00 1.15 C ATOM 0 H VAL A 39 0.257 -24.876 -2.648 1.00 13.41 H new ATOM 0 HA VAL A 39 -0.160 -22.122 -3.473 1.00 23.01 H new ATOM 0 HB VAL A 39 2.019 -23.190 -1.649 1.00 25.30 H new ATOM 0 HG11 VAL A 39 1.819 -20.968 -0.613 1.00 53.33 H new ATOM 0 HG12 VAL A 39 2.213 -20.857 -2.345 1.00 53.33 H new ATOM 0 HG13 VAL A 39 0.553 -20.538 -1.788 1.00 53.33 H new ATOM 0 HG21 VAL A 39 0.480 -22.859 0.243 1.00 1.15 H new ATOM 0 HG22 VAL A 39 -0.841 -22.509 -0.897 1.00 1.15 H new ATOM 0 HG23 VAL A 39 -0.098 -24.126 -0.865 1.00 1.15 H new ATOM 592 N LEU A 40 2.444 -23.927 -4.357 1.00 33.54 N ATOM 593 CA LEU A 40 3.580 -23.993 -5.269 1.00 73.35 C ATOM 594 C LEU A 40 3.199 -23.472 -6.651 1.00 74.35 C ATOM 595 O LEU A 40 3.948 -22.716 -7.269 1.00 32.01 O ATOM 596 CB LEU A 40 4.090 -25.431 -5.377 1.00 23.22 C ATOM 597 CG LEU A 40 4.721 -25.821 -6.714 1.00 23.41 C ATOM 598 CD1 LEU A 40 5.868 -24.883 -7.057 1.00 22.42 C ATOM 599 CD2 LEU A 40 5.203 -27.264 -6.675 1.00 62.33 C ATOM 0 H LEU A 40 2.249 -24.798 -3.863 1.00 33.54 H new ATOM 0 HA LEU A 40 4.373 -23.362 -4.868 1.00 73.35 H new ATOM 0 HB2 LEU A 40 4.826 -25.594 -4.590 1.00 23.22 H new ATOM 0 HB3 LEU A 40 3.257 -26.106 -5.180 1.00 23.22 H new ATOM 0 HG LEU A 40 3.962 -25.733 -7.492 1.00 23.41 H new ATOM 0 HD11 LEU A 40 6.305 -25.176 -8.012 1.00 22.42 H new ATOM 0 HD12 LEU A 40 5.494 -23.862 -7.127 1.00 22.42 H new ATOM 0 HD13 LEU A 40 6.628 -24.938 -6.278 1.00 22.42 H new ATOM 0 HD21 LEU A 40 5.649 -27.525 -7.635 1.00 62.33 H new ATOM 0 HD22 LEU A 40 5.947 -27.378 -5.886 1.00 62.33 H new ATOM 0 HD23 LEU A 40 4.359 -27.924 -6.476 1.00 62.33 H new ATOM 611 N ALA A 41 2.028 -23.881 -7.130 1.00 40.21 N ATOM 612 CA ALA A 41 1.545 -23.452 -8.437 1.00 24.01 C ATOM 613 C ALA A 41 1.111 -21.991 -8.409 1.00 40.43 C ATOM 614 O ALA A 41 1.189 -21.291 -9.419 1.00 1.14 O ATOM 615 CB ALA A 41 0.395 -24.338 -8.891 1.00 60.15 C ATOM 0 H ALA A 41 1.397 -24.509 -6.632 1.00 40.21 H new ATOM 0 HA ALA A 41 2.365 -23.546 -9.149 1.00 24.01 H new ATOM 0 HB1 ALA A 41 0.044 -24.006 -9.868 1.00 60.15 H new ATOM 0 HB2 ALA A 41 0.736 -25.371 -8.959 1.00 60.15 H new ATOM 0 HB3 ALA A 41 -0.421 -24.273 -8.171 1.00 60.15 H new ATOM 621 N ALA A 42 0.653 -21.536 -7.248 1.00 33.25 N ATOM 622 CA ALA A 42 0.207 -20.157 -7.089 1.00 21.53 C ATOM 623 C ALA A 42 1.331 -19.177 -7.407 1.00 70.20 C ATOM 624 O ALA A 42 1.095 -18.110 -7.975 1.00 45.11 O ATOM 625 CB ALA A 42 -0.310 -19.929 -5.676 1.00 74.52 C ATOM 0 H ALA A 42 0.581 -22.102 -6.403 1.00 33.25 H new ATOM 0 HA ALA A 42 -0.605 -19.980 -7.794 1.00 21.53 H new ATOM 0 HB1 ALA A 42 -0.640 -18.895 -5.572 1.00 74.52 H new ATOM 0 HB2 ALA A 42 -1.148 -20.598 -5.483 1.00 74.52 H new ATOM 0 HB3 ALA A 42 0.487 -20.130 -4.960 1.00 74.52 H new ATOM 631 N LEU A 43 2.553 -19.545 -7.037 1.00 53.03 N ATOM 632 CA LEU A 43 3.714 -18.697 -7.283 1.00 62.21 C ATOM 633 C LEU A 43 3.841 -18.363 -8.766 1.00 73.40 C ATOM 634 O LEU A 43 4.225 -17.253 -9.132 1.00 20.01 O ATOM 635 CB LEU A 43 4.988 -19.389 -6.794 1.00 12.22 C ATOM 636 CG LEU A 43 4.886 -20.111 -5.450 1.00 13.54 C ATOM 637 CD1 LEU A 43 6.220 -20.739 -5.078 1.00 51.24 C ATOM 638 CD2 LEU A 43 4.425 -19.150 -4.362 1.00 63.45 C ATOM 0 H LEU A 43 2.765 -20.424 -6.566 1.00 53.03 H new ATOM 0 HA LEU A 43 3.577 -17.767 -6.731 1.00 62.21 H new ATOM 0 HB2 LEU A 43 5.298 -20.111 -7.549 1.00 12.22 H new ATOM 0 HB3 LEU A 43 5.779 -18.642 -6.724 1.00 12.22 H new ATOM 0 HG LEU A 43 4.147 -20.907 -5.542 1.00 13.54 H new ATOM 0 HD11 LEU A 43 6.128 -21.248 -4.119 1.00 51.24 H new ATOM 0 HD12 LEU A 43 6.510 -21.458 -5.844 1.00 51.24 H new ATOM 0 HD13 LEU A 43 6.980 -19.961 -5.004 1.00 51.24 H new ATOM 0 HD21 LEU A 43 4.358 -19.681 -3.412 1.00 63.45 H new ATOM 0 HD22 LEU A 43 5.141 -18.333 -4.271 1.00 63.45 H new ATOM 0 HD23 LEU A 43 3.446 -18.748 -4.623 1.00 63.45 H new ATOM 650 N ALA A 44 3.513 -19.332 -9.615 1.00 52.43 N ATOM 651 CA ALA A 44 3.586 -19.139 -11.058 1.00 74.13 C ATOM 652 C ALA A 44 2.650 -18.023 -11.511 1.00 71.52 C ATOM 653 O ALA A 44 2.769 -17.515 -12.626 1.00 11.22 O ATOM 654 CB ALA A 44 3.253 -20.436 -11.781 1.00 54.12 C ATOM 0 H ALA A 44 3.194 -20.258 -9.328 1.00 52.43 H new ATOM 0 HA ALA A 44 4.605 -18.847 -11.310 1.00 74.13 H new ATOM 0 HB1 ALA A 44 3.311 -20.278 -12.858 1.00 54.12 H new ATOM 0 HB2 ALA A 44 3.964 -21.208 -11.489 1.00 54.12 H new ATOM 0 HB3 ALA A 44 2.244 -20.752 -11.515 1.00 54.12 H new ATOM 660 N SER A 45 1.719 -17.648 -10.640 1.00 72.11 N ATOM 661 CA SER A 45 0.759 -16.595 -10.953 1.00 25.33 C ATOM 662 C SER A 45 1.430 -15.225 -10.929 1.00 71.15 C ATOM 663 O SER A 45 1.668 -14.619 -11.974 1.00 53.05 O ATOM 664 CB SER A 45 -0.403 -16.624 -9.959 1.00 10.24 C ATOM 665 OG SER A 45 -1.021 -17.899 -9.933 1.00 3.04 O ATOM 0 H SER A 45 1.609 -18.057 -9.712 1.00 72.11 H new ATOM 0 HA SER A 45 0.374 -16.774 -11.957 1.00 25.33 H new ATOM 0 HB2 SER A 45 -0.040 -16.372 -8.963 1.00 10.24 H new ATOM 0 HB3 SER A 45 -1.137 -15.866 -10.231 1.00 10.24 H new ATOM 0 HG SER A 45 -0.518 -18.494 -9.339 1.00 3.04 H new ATOM 671 N LYS A 46 1.732 -14.742 -9.729 1.00 45.23 N ATOM 672 CA LYS A 46 2.377 -13.444 -9.567 1.00 13.12 C ATOM 673 C LYS A 46 3.646 -13.567 -8.730 1.00 31.51 C ATOM 674 O LYS A 46 4.420 -12.617 -8.612 1.00 13.32 O ATOM 675 CB LYS A 46 1.414 -12.453 -8.909 1.00 40.52 C ATOM 676 CG LYS A 46 0.934 -12.890 -7.536 1.00 64.11 C ATOM 677 CD LYS A 46 -0.445 -12.334 -7.224 1.00 20.41 C ATOM 678 CE LYS A 46 -0.376 -10.874 -6.806 1.00 2.42 C ATOM 679 NZ LYS A 46 -1.104 -9.989 -7.758 1.00 24.25 N ATOM 0 H LYS A 46 1.541 -15.230 -8.854 1.00 45.23 H new ATOM 0 HA LYS A 46 2.650 -13.076 -10.556 1.00 13.12 H new ATOM 0 HB2 LYS A 46 1.907 -11.485 -8.821 1.00 40.52 H new ATOM 0 HB3 LYS A 46 0.550 -12.313 -9.559 1.00 40.52 H new ATOM 0 HG2 LYS A 46 0.908 -13.979 -7.488 1.00 64.11 H new ATOM 0 HG3 LYS A 46 1.642 -12.555 -6.778 1.00 64.11 H new ATOM 0 HD2 LYS A 46 -1.085 -12.433 -8.101 1.00 20.41 H new ATOM 0 HD3 LYS A 46 -0.903 -12.920 -6.427 1.00 20.41 H new ATOM 0 HE2 LYS A 46 -0.801 -10.761 -5.808 1.00 2.42 H new ATOM 0 HE3 LYS A 46 0.667 -10.562 -6.746 1.00 2.42 H new ATOM 0 HZ1 LYS A 46 -1.033 -9.002 -7.438 1.00 24.25 H new ATOM 0 HZ2 LYS A 46 -0.683 -10.077 -8.705 1.00 24.25 H new ATOM 0 HZ3 LYS A 46 -2.105 -10.270 -7.797 1.00 24.25 H new ATOM 693 N THR A 47 3.855 -14.746 -8.151 1.00 45.10 N ATOM 694 CA THR A 47 5.031 -14.994 -7.326 1.00 12.23 C ATOM 695 C THR A 47 5.067 -14.056 -6.125 1.00 0.24 C ATOM 696 O THR A 47 5.343 -12.862 -6.247 1.00 31.12 O ATOM 697 CB THR A 47 6.331 -14.824 -8.134 1.00 71.53 C ATOM 698 OG1 THR A 47 6.029 -14.710 -9.529 1.00 52.23 O ATOM 699 CG2 THR A 47 7.266 -16.003 -7.908 1.00 2.41 C ATOM 0 H THR A 47 3.225 -15.544 -8.238 1.00 45.10 H new ATOM 0 HA THR A 47 4.961 -16.025 -6.978 1.00 12.23 H new ATOM 0 HB THR A 47 6.828 -13.915 -7.794 1.00 71.53 H new ATOM 0 HG1 THR A 47 6.861 -14.601 -10.036 1.00 52.23 H new ATOM 0 HG21 THR A 47 8.177 -15.861 -8.489 1.00 2.41 H new ATOM 0 HG22 THR A 47 7.517 -16.071 -6.849 1.00 2.41 H new ATOM 0 HG23 THR A 47 6.774 -16.923 -8.224 1.00 2.41 H new ATOM 707 N PRO A 48 4.783 -14.606 -4.935 1.00 11.43 N ATOM 708 CA PRO A 48 4.778 -13.835 -3.688 1.00 32.14 C ATOM 709 C PRO A 48 6.179 -13.407 -3.265 1.00 50.21 C ATOM 710 O PRO A 48 7.174 -13.979 -3.710 1.00 71.21 O ATOM 711 CB PRO A 48 4.188 -14.813 -2.669 1.00 34.13 C ATOM 712 CG PRO A 48 4.494 -16.163 -3.219 1.00 34.54 C ATOM 713 CD PRO A 48 4.445 -16.022 -4.715 1.00 2.11 C ATOM 0 HA PRO A 48 4.215 -12.907 -3.785 1.00 32.14 H new ATOM 0 HB2 PRO A 48 4.635 -14.676 -1.684 1.00 34.13 H new ATOM 0 HB3 PRO A 48 3.114 -14.666 -2.555 1.00 34.13 H new ATOM 0 HG2 PRO A 48 5.476 -16.504 -2.891 1.00 34.54 H new ATOM 0 HG3 PRO A 48 3.769 -16.899 -2.873 1.00 34.54 H new ATOM 0 HD2 PRO A 48 5.157 -16.686 -5.205 1.00 2.11 H new ATOM 0 HD3 PRO A 48 3.459 -16.266 -5.110 1.00 2.11 H new ATOM 721 N ASP A 49 6.250 -12.398 -2.404 1.00 54.30 N ATOM 722 CA ASP A 49 7.530 -11.894 -1.920 1.00 54.31 C ATOM 723 C ASP A 49 8.043 -12.740 -0.759 1.00 50.13 C ATOM 724 O ASP A 49 9.229 -12.708 -0.431 1.00 10.44 O ATOM 725 CB ASP A 49 7.395 -10.434 -1.483 1.00 71.20 C ATOM 726 CG ASP A 49 7.847 -9.464 -2.557 1.00 33.20 C ATOM 727 OD1 ASP A 49 7.423 -9.628 -3.720 1.00 51.20 O ATOM 728 OD2 ASP A 49 8.625 -8.542 -2.235 1.00 11.23 O ATOM 0 H ASP A 49 5.436 -11.913 -2.027 1.00 54.30 H new ATOM 0 HA ASP A 49 8.249 -11.956 -2.737 1.00 54.31 H new ATOM 0 HB2 ASP A 49 6.356 -10.229 -1.227 1.00 71.20 H new ATOM 0 HB3 ASP A 49 7.984 -10.272 -0.580 1.00 71.20 H new ATOM 733 N VAL A 50 7.142 -13.496 -0.141 1.00 34.22 N ATOM 734 CA VAL A 50 7.503 -14.351 0.984 1.00 60.25 C ATOM 735 C VAL A 50 6.298 -15.140 1.484 1.00 61.04 C ATOM 736 O VAL A 50 5.169 -14.648 1.465 1.00 72.33 O ATOM 737 CB VAL A 50 8.085 -13.530 2.149 1.00 14.52 C ATOM 738 CG1 VAL A 50 7.108 -12.444 2.577 1.00 24.52 C ATOM 739 CG2 VAL A 50 8.432 -14.437 3.319 1.00 31.53 C ATOM 0 H VAL A 50 6.156 -13.534 -0.400 1.00 34.22 H new ATOM 0 HA VAL A 50 8.263 -15.044 0.623 1.00 60.25 H new ATOM 0 HB VAL A 50 9.002 -13.048 1.809 1.00 14.52 H new ATOM 0 HG11 VAL A 50 7.536 -11.874 3.401 1.00 24.52 H new ATOM 0 HG12 VAL A 50 6.914 -11.777 1.737 1.00 24.52 H new ATOM 0 HG13 VAL A 50 6.173 -12.902 2.900 1.00 24.52 H new ATOM 0 HG21 VAL A 50 8.842 -13.840 4.133 1.00 31.53 H new ATOM 0 HG22 VAL A 50 7.533 -14.949 3.662 1.00 31.53 H new ATOM 0 HG23 VAL A 50 9.170 -15.174 3.002 1.00 31.53 H new ATOM 749 N LEU A 51 6.545 -16.366 1.931 1.00 21.04 N ATOM 750 CA LEU A 51 5.480 -17.225 2.438 1.00 1.42 C ATOM 751 C LEU A 51 5.774 -17.671 3.867 1.00 71.23 C ATOM 752 O LEU A 51 6.918 -17.624 4.321 1.00 41.34 O ATOM 753 CB LEU A 51 5.310 -18.447 1.534 1.00 11.14 C ATOM 754 CG LEU A 51 3.888 -18.729 1.047 1.00 2.22 C ATOM 755 CD1 LEU A 51 3.896 -19.132 -0.419 1.00 65.30 C ATOM 756 CD2 LEU A 51 3.238 -19.811 1.897 1.00 62.34 C ATOM 0 H LEU A 51 7.473 -16.788 1.953 1.00 21.04 H new ATOM 0 HA LEU A 51 4.553 -16.651 2.440 1.00 1.42 H new ATOM 0 HB2 LEU A 51 5.953 -18.322 0.663 1.00 11.14 H new ATOM 0 HB3 LEU A 51 5.669 -19.325 2.072 1.00 11.14 H new ATOM 0 HG LEU A 51 3.302 -17.816 1.148 1.00 2.22 H new ATOM 0 HD11 LEU A 51 2.876 -19.329 -0.748 1.00 65.30 H new ATOM 0 HD12 LEU A 51 4.320 -18.325 -1.016 1.00 65.30 H new ATOM 0 HD13 LEU A 51 4.498 -20.032 -0.546 1.00 65.30 H new ATOM 0 HD21 LEU A 51 2.227 -19.999 1.536 1.00 62.34 H new ATOM 0 HD22 LEU A 51 3.824 -20.728 1.829 1.00 62.34 H new ATOM 0 HD23 LEU A 51 3.198 -19.483 2.936 1.00 62.34 H new ATOM 768 N LEU A 52 4.735 -18.107 4.570 1.00 12.34 N ATOM 769 CA LEU A 52 4.881 -18.565 5.948 1.00 43.23 C ATOM 770 C LEU A 52 4.101 -19.855 6.178 1.00 12.24 C ATOM 771 O LEU A 52 2.905 -19.825 6.470 1.00 23.12 O ATOM 772 CB LEU A 52 4.402 -17.485 6.919 1.00 51.41 C ATOM 773 CG LEU A 52 4.571 -16.039 6.451 1.00 0.43 C ATOM 774 CD1 LEU A 52 3.256 -15.493 5.917 1.00 13.03 C ATOM 775 CD2 LEU A 52 5.090 -15.168 7.587 1.00 70.25 C ATOM 0 H LEU A 52 3.782 -18.153 4.209 1.00 12.34 H new ATOM 0 HA LEU A 52 5.937 -18.764 6.129 1.00 43.23 H new ATOM 0 HB2 LEU A 52 3.346 -17.657 7.130 1.00 51.41 H new ATOM 0 HB3 LEU A 52 4.939 -17.606 7.860 1.00 51.41 H new ATOM 0 HG LEU A 52 5.302 -16.022 5.643 1.00 0.43 H new ATOM 0 HD11 LEU A 52 3.396 -14.463 5.589 1.00 13.03 H new ATOM 0 HD12 LEU A 52 2.925 -16.100 5.075 1.00 13.03 H new ATOM 0 HD13 LEU A 52 2.503 -15.524 6.704 1.00 13.03 H new ATOM 0 HD21 LEU A 52 5.204 -14.142 7.236 1.00 70.25 H new ATOM 0 HD22 LEU A 52 4.382 -15.191 8.416 1.00 70.25 H new ATOM 0 HD23 LEU A 52 6.055 -15.546 7.923 1.00 70.25 H new ATOM 787 N SER A 53 4.786 -20.986 6.048 1.00 71.34 N ATOM 788 CA SER A 53 4.157 -22.288 6.240 1.00 14.43 C ATOM 789 C SER A 53 4.297 -22.750 7.687 1.00 12.15 C ATOM 790 O SER A 53 5.358 -22.609 8.296 1.00 60.34 O ATOM 791 CB SER A 53 4.778 -23.322 5.300 1.00 32.30 C ATOM 792 OG SER A 53 4.407 -24.638 5.673 1.00 22.15 O ATOM 0 H SER A 53 5.777 -21.028 5.810 1.00 71.34 H new ATOM 0 HA SER A 53 3.096 -22.189 6.009 1.00 14.43 H new ATOM 0 HB2 SER A 53 4.457 -23.127 4.277 1.00 32.30 H new ATOM 0 HB3 SER A 53 5.864 -23.228 5.317 1.00 32.30 H new ATOM 0 HG SER A 53 4.815 -25.280 5.056 1.00 22.15 H new ATOM 798 N ASP A 54 3.218 -23.302 8.233 1.00 43.35 N ATOM 799 CA ASP A 54 3.220 -23.786 9.608 1.00 74.20 C ATOM 800 C ASP A 54 3.566 -25.271 9.661 1.00 52.03 C ATOM 801 O ASP A 54 3.779 -25.831 10.737 1.00 55.33 O ATOM 802 CB ASP A 54 1.856 -23.544 10.258 1.00 63.33 C ATOM 803 CG ASP A 54 1.975 -23.079 11.696 1.00 73.32 C ATOM 804 OD1 ASP A 54 2.475 -23.860 12.532 1.00 44.10 O ATOM 805 OD2 ASP A 54 1.566 -21.935 11.985 1.00 31.24 O ATOM 0 H ASP A 54 2.331 -23.425 7.744 1.00 43.35 H new ATOM 0 HA ASP A 54 3.981 -23.234 10.160 1.00 74.20 H new ATOM 0 HB2 ASP A 54 1.309 -22.798 9.682 1.00 63.33 H new ATOM 0 HB3 ASP A 54 1.272 -24.464 10.224 1.00 63.33 H new ATOM 810 N ILE A 55 3.619 -25.903 8.493 1.00 44.40 N ATOM 811 CA ILE A 55 3.940 -27.322 8.407 1.00 54.03 C ATOM 812 C ILE A 55 3.017 -28.149 9.296 1.00 2.42 C ATOM 813 O ILE A 55 3.301 -28.359 10.476 1.00 75.34 O ATOM 814 CB ILE A 55 5.401 -27.595 8.808 1.00 3.31 C ATOM 815 CG1 ILE A 55 6.355 -26.792 7.920 1.00 30.45 C ATOM 816 CG2 ILE A 55 5.707 -29.082 8.715 1.00 64.11 C ATOM 817 CD1 ILE A 55 7.784 -26.792 8.415 1.00 25.10 C ATOM 0 H ILE A 55 3.444 -25.455 7.594 1.00 44.40 H new ATOM 0 HA ILE A 55 3.797 -27.615 7.367 1.00 54.03 H new ATOM 0 HB ILE A 55 5.544 -27.279 9.841 1.00 3.31 H new ATOM 0 HG12 ILE A 55 6.329 -27.201 6.910 1.00 30.45 H new ATOM 0 HG13 ILE A 55 6.001 -25.763 7.857 1.00 30.45 H new ATOM 0 HG21 ILE A 55 6.744 -29.259 9.002 1.00 64.11 H new ATOM 0 HG22 ILE A 55 5.046 -29.632 9.385 1.00 64.11 H new ATOM 0 HG23 ILE A 55 5.551 -29.422 7.691 1.00 64.11 H new ATOM 0 HD11 ILE A 55 8.404 -26.204 7.738 1.00 25.10 H new ATOM 0 HD12 ILE A 55 7.823 -26.356 9.413 1.00 25.10 H new ATOM 0 HD13 ILE A 55 8.156 -27.816 8.451 1.00 25.10 H new ATOM 829 N ARG A 56 1.913 -28.616 8.722 1.00 24.03 N ATOM 830 CA ARG A 56 0.949 -29.421 9.463 1.00 42.32 C ATOM 831 C ARG A 56 0.048 -30.202 8.511 1.00 63.01 C ATOM 832 O ARG A 56 -1.160 -30.300 8.724 1.00 2.22 O ATOM 833 CB ARG A 56 0.099 -28.529 10.370 1.00 23.53 C ATOM 834 CG ARG A 56 -0.133 -29.114 11.754 1.00 60.42 C ATOM 835 CD ARG A 56 0.338 -28.167 12.846 1.00 44.33 C ATOM 836 NE ARG A 56 -0.586 -28.130 13.975 1.00 14.14 N ATOM 837 CZ ARG A 56 -1.757 -27.503 13.947 1.00 51.14 C ATOM 838 NH1 ARG A 56 -2.144 -26.864 12.851 1.00 20.01 N ATOM 839 NH2 ARG A 56 -2.544 -27.515 15.015 1.00 2.51 N ATOM 0 H ARG A 56 1.664 -28.451 7.747 1.00 24.03 H new ATOM 0 HA ARG A 56 1.502 -30.131 10.078 1.00 42.32 H new ATOM 0 HB2 ARG A 56 0.586 -27.559 10.472 1.00 23.53 H new ATOM 0 HB3 ARG A 56 -0.865 -28.353 9.893 1.00 23.53 H new ATOM 0 HG2 ARG A 56 -1.194 -29.326 11.887 1.00 60.42 H new ATOM 0 HG3 ARG A 56 0.395 -30.064 11.842 1.00 60.42 H new ATOM 0 HD2 ARG A 56 1.323 -28.477 13.194 1.00 44.33 H new ATOM 0 HD3 ARG A 56 0.447 -27.164 12.434 1.00 44.33 H new ATOM 0 HE ARG A 56 -0.318 -28.612 14.833 1.00 14.14 H new ATOM 0 HH11 ARG A 56 -1.542 -26.853 12.028 1.00 20.01 H new ATOM 0 HH12 ARG A 56 -3.043 -26.383 12.832 1.00 20.01 H new ATOM 0 HH21 ARG A 56 -2.250 -28.006 15.859 1.00 2.51 H new ATOM 0 HH22 ARG A 56 -3.443 -27.033 14.992 1.00 2.51 H new ATOM 853 N MET A 57 0.645 -30.756 7.460 1.00 11.24 N ATOM 854 CA MET A 57 -0.104 -31.529 6.476 1.00 22.04 C ATOM 855 C MET A 57 0.147 -33.023 6.654 1.00 70.11 C ATOM 856 O MET A 57 1.218 -33.450 7.085 1.00 63.22 O ATOM 857 CB MET A 57 0.281 -31.100 5.059 1.00 21.22 C ATOM 858 CG MET A 57 0.551 -29.610 4.927 1.00 22.14 C ATOM 859 SD MET A 57 2.296 -29.201 5.124 1.00 1.51 S ATOM 860 CE MET A 57 2.352 -27.582 4.359 1.00 23.01 C ATOM 0 H MET A 57 1.644 -30.684 7.268 1.00 11.24 H new ATOM 0 HA MET A 57 -1.166 -31.336 6.630 1.00 22.04 H new ATOM 0 HB2 MET A 57 1.170 -31.651 4.750 1.00 21.22 H new ATOM 0 HB3 MET A 57 -0.520 -31.378 4.374 1.00 21.22 H new ATOM 0 HG2 MET A 57 0.210 -29.268 3.950 1.00 22.14 H new ATOM 0 HG3 MET A 57 -0.031 -29.071 5.675 1.00 22.14 H new ATOM 0 HE1 MET A 57 3.370 -27.194 4.402 1.00 23.01 H new ATOM 0 HE2 MET A 57 2.037 -27.660 3.318 1.00 23.01 H new ATOM 0 HE3 MET A 57 1.683 -26.905 4.890 1.00 23.01 H new ATOM 870 N PRO A 58 -0.863 -33.838 6.315 1.00 60.11 N ATOM 871 CA PRO A 58 -0.775 -35.297 6.428 1.00 11.03 C ATOM 872 C PRO A 58 0.184 -35.901 5.408 1.00 2.14 C ATOM 873 O PRO A 58 1.055 -36.697 5.756 1.00 2.04 O ATOM 874 CB PRO A 58 -2.208 -35.761 6.155 1.00 40.12 C ATOM 875 CG PRO A 58 -2.805 -34.677 5.326 1.00 54.05 C ATOM 876 CD PRO A 58 -2.168 -33.398 5.794 1.00 33.13 C ATOM 0 HA PRO A 58 -0.389 -35.608 7.399 1.00 11.03 H new ATOM 0 HB2 PRO A 58 -2.222 -36.715 5.628 1.00 40.12 H new ATOM 0 HB3 PRO A 58 -2.763 -35.901 7.083 1.00 40.12 H new ATOM 0 HG2 PRO A 58 -2.611 -34.844 4.267 1.00 54.05 H new ATOM 0 HG3 PRO A 58 -3.887 -34.642 5.450 1.00 54.05 H new ATOM 0 HD2 PRO A 58 -2.055 -32.683 4.979 1.00 33.13 H new ATOM 0 HD3 PRO A 58 -2.765 -32.910 6.565 1.00 33.13 H new ATOM 884 N GLY A 59 0.018 -35.516 4.146 1.00 23.43 N ATOM 885 CA GLY A 59 0.877 -36.030 3.095 1.00 3.14 C ATOM 886 C GLY A 59 2.265 -35.422 3.132 1.00 4.03 C ATOM 887 O GLY A 59 3.260 -36.137 3.247 1.00 23.01 O ATOM 0 H GLY A 59 -0.696 -34.858 3.833 1.00 23.43 H new ATOM 0 HA2 GLY A 59 0.955 -37.113 3.191 1.00 3.14 H new ATOM 0 HA3 GLY A 59 0.421 -35.828 2.126 1.00 3.14 H new ATOM 891 N MET A 60 2.333 -34.098 3.033 1.00 72.41 N ATOM 892 CA MET A 60 3.610 -33.395 3.055 1.00 0.11 C ATOM 893 C MET A 60 4.042 -33.097 4.487 1.00 31.14 C ATOM 894 O MET A 60 3.224 -32.721 5.327 1.00 74.11 O ATOM 895 CB MET A 60 3.513 -32.093 2.258 1.00 2.40 C ATOM 896 CG MET A 60 3.726 -32.277 0.764 1.00 30.23 C ATOM 897 SD MET A 60 2.273 -31.830 -0.205 1.00 34.22 S ATOM 898 CE MET A 60 2.664 -30.138 -0.642 1.00 4.02 C ATOM 0 H MET A 60 1.519 -33.491 2.937 1.00 72.41 H new ATOM 0 HA MET A 60 4.359 -34.039 2.595 1.00 0.11 H new ATOM 0 HB2 MET A 60 2.532 -31.647 2.425 1.00 2.40 H new ATOM 0 HB3 MET A 60 4.253 -31.388 2.638 1.00 2.40 H new ATOM 0 HG2 MET A 60 4.572 -31.669 0.444 1.00 30.23 H new ATOM 0 HG3 MET A 60 3.986 -33.316 0.563 1.00 30.23 H new ATOM 0 HE1 MET A 60 1.886 -29.475 -0.264 1.00 4.02 H new ATOM 0 HE2 MET A 60 3.622 -29.861 -0.202 1.00 4.02 H new ATOM 0 HE3 MET A 60 2.723 -30.047 -1.727 1.00 4.02 H new ATOM 908 N ASP A 61 5.331 -33.268 4.759 1.00 11.35 N ATOM 909 CA ASP A 61 5.871 -33.016 6.090 1.00 22.35 C ATOM 910 C ASP A 61 6.308 -31.562 6.234 1.00 40.22 C ATOM 911 O ASP A 61 6.974 -31.195 7.201 1.00 21.41 O ATOM 912 CB ASP A 61 7.053 -33.947 6.368 1.00 1.54 C ATOM 913 CG ASP A 61 6.613 -35.358 6.704 1.00 53.13 C ATOM 914 OD1 ASP A 61 5.604 -35.818 6.128 1.00 41.41 O ATOM 915 OD2 ASP A 61 7.277 -36.003 7.541 1.00 30.11 O ATOM 0 H ASP A 61 6.021 -33.580 4.076 1.00 11.35 H new ATOM 0 HA ASP A 61 5.084 -33.213 6.818 1.00 22.35 H new ATOM 0 HB2 ASP A 61 7.705 -33.971 5.495 1.00 1.54 H new ATOM 0 HB3 ASP A 61 7.641 -33.546 7.194 1.00 1.54 H new ATOM 920 N GLY A 62 5.929 -30.737 5.263 1.00 53.44 N ATOM 921 CA GLY A 62 6.291 -29.332 5.299 1.00 43.21 C ATOM 922 C GLY A 62 7.440 -29.005 4.366 1.00 64.41 C ATOM 923 O GLY A 62 7.243 -28.392 3.316 1.00 33.11 O ATOM 0 H GLY A 62 5.378 -31.017 4.452 1.00 53.44 H new ATOM 0 HA2 GLY A 62 5.424 -28.730 5.028 1.00 43.21 H new ATOM 0 HA3 GLY A 62 6.564 -29.056 6.318 1.00 43.21 H new ATOM 927 N LEU A 63 8.645 -29.414 4.748 1.00 2.24 N ATOM 928 CA LEU A 63 9.832 -29.160 3.939 1.00 50.20 C ATOM 929 C LEU A 63 9.736 -29.871 2.593 1.00 32.32 C ATOM 930 O LEU A 63 10.498 -29.582 1.671 1.00 32.33 O ATOM 931 CB LEU A 63 11.088 -29.618 4.682 1.00 0.23 C ATOM 932 CG LEU A 63 10.938 -30.872 5.545 1.00 51.44 C ATOM 933 CD1 LEU A 63 10.300 -31.996 4.744 1.00 33.55 C ATOM 934 CD2 LEU A 63 12.289 -31.306 6.094 1.00 11.44 C ATOM 0 H LEU A 63 8.826 -29.923 5.613 1.00 2.24 H new ATOM 0 HA LEU A 63 9.895 -28.087 3.759 1.00 50.20 H new ATOM 0 HB2 LEU A 63 11.874 -29.798 3.949 1.00 0.23 H new ATOM 0 HB3 LEU A 63 11.427 -28.801 5.319 1.00 0.23 H new ATOM 0 HG LEU A 63 10.286 -30.636 6.386 1.00 51.44 H new ATOM 0 HD11 LEU A 63 10.201 -32.880 5.373 1.00 33.55 H new ATOM 0 HD12 LEU A 63 9.314 -31.683 4.400 1.00 33.55 H new ATOM 0 HD13 LEU A 63 10.927 -32.231 3.884 1.00 33.55 H new ATOM 0 HD21 LEU A 63 12.163 -32.199 6.706 1.00 11.44 H new ATOM 0 HD22 LEU A 63 12.965 -31.524 5.267 1.00 11.44 H new ATOM 0 HD23 LEU A 63 12.708 -30.505 6.703 1.00 11.44 H new ATOM 946 N ALA A 64 8.793 -30.802 2.488 1.00 54.43 N ATOM 947 CA ALA A 64 8.594 -31.551 1.254 1.00 73.34 C ATOM 948 C ALA A 64 8.577 -30.623 0.044 1.00 42.11 C ATOM 949 O ALA A 64 9.403 -30.751 -0.861 1.00 51.21 O ATOM 950 CB ALA A 64 7.302 -32.352 1.325 1.00 53.33 C ATOM 0 H ALA A 64 8.155 -31.055 3.243 1.00 54.43 H new ATOM 0 HA ALA A 64 9.430 -32.240 1.138 1.00 73.34 H new ATOM 0 HB1 ALA A 64 7.166 -32.907 0.396 1.00 53.33 H new ATOM 0 HB2 ALA A 64 7.352 -33.050 2.161 1.00 53.33 H new ATOM 0 HB3 ALA A 64 6.461 -31.674 1.469 1.00 53.33 H new ATOM 956 N LEU A 65 7.632 -29.689 0.034 1.00 64.13 N ATOM 957 CA LEU A 65 7.508 -28.739 -1.066 1.00 51.21 C ATOM 958 C LEU A 65 8.424 -27.538 -0.854 1.00 42.14 C ATOM 959 O LEU A 65 8.819 -26.869 -1.810 1.00 42.41 O ATOM 960 CB LEU A 65 6.058 -28.271 -1.200 1.00 53.21 C ATOM 961 CG LEU A 65 5.664 -27.055 -0.360 1.00 24.20 C ATOM 962 CD1 LEU A 65 4.289 -26.549 -0.766 1.00 0.45 C ATOM 963 CD2 LEU A 65 5.692 -27.400 1.122 1.00 2.40 C ATOM 0 H LEU A 65 6.941 -29.569 0.775 1.00 64.13 H new ATOM 0 HA LEU A 65 7.807 -29.243 -1.985 1.00 51.21 H new ATOM 0 HB2 LEU A 65 5.867 -28.041 -2.248 1.00 53.21 H new ATOM 0 HB3 LEU A 65 5.403 -29.100 -0.932 1.00 53.21 H new ATOM 0 HG LEU A 65 6.388 -26.261 -0.542 1.00 24.20 H new ATOM 0 HD11 LEU A 65 4.026 -25.684 -0.158 1.00 0.45 H new ATOM 0 HD12 LEU A 65 4.303 -26.263 -1.818 1.00 0.45 H new ATOM 0 HD13 LEU A 65 3.552 -27.337 -0.614 1.00 0.45 H new ATOM 0 HD21 LEU A 65 5.409 -26.524 1.705 1.00 2.40 H new ATOM 0 HD22 LEU A 65 4.990 -28.210 1.320 1.00 2.40 H new ATOM 0 HD23 LEU A 65 6.697 -27.714 1.404 1.00 2.40 H new ATOM 975 N LEU A 66 8.761 -27.271 0.403 1.00 74.42 N ATOM 976 CA LEU A 66 9.633 -26.152 0.741 1.00 61.14 C ATOM 977 C LEU A 66 11.032 -26.360 0.169 1.00 73.14 C ATOM 978 O LEU A 66 11.781 -25.404 -0.033 1.00 13.14 O ATOM 979 CB LEU A 66 9.711 -25.981 2.259 1.00 52.54 C ATOM 980 CG LEU A 66 9.639 -24.543 2.776 1.00 25.51 C ATOM 981 CD1 LEU A 66 10.636 -23.661 2.041 1.00 61.24 C ATOM 982 CD2 LEU A 66 8.228 -23.993 2.630 1.00 21.41 C ATOM 0 H LEU A 66 8.443 -27.815 1.205 1.00 74.42 H new ATOM 0 HA LEU A 66 9.211 -25.249 0.301 1.00 61.14 H new ATOM 0 HB2 LEU A 66 8.898 -26.550 2.711 1.00 52.54 H new ATOM 0 HB3 LEU A 66 10.643 -26.425 2.607 1.00 52.54 H new ATOM 0 HG LEU A 66 9.898 -24.545 3.835 1.00 25.51 H new ATOM 0 HD11 LEU A 66 10.570 -22.642 2.422 1.00 61.24 H new ATOM 0 HD12 LEU A 66 11.645 -24.043 2.198 1.00 61.24 H new ATOM 0 HD13 LEU A 66 10.409 -23.665 0.975 1.00 61.24 H new ATOM 0 HD21 LEU A 66 8.196 -22.969 3.003 1.00 21.41 H new ATOM 0 HD22 LEU A 66 7.940 -24.005 1.579 1.00 21.41 H new ATOM 0 HD23 LEU A 66 7.536 -24.610 3.203 1.00 21.41 H new ATOM 994 N LYS A 67 11.377 -27.616 -0.093 1.00 44.05 N ATOM 995 CA LYS A 67 12.685 -27.951 -0.646 1.00 15.10 C ATOM 996 C LYS A 67 12.807 -27.465 -2.087 1.00 1.24 C ATOM 997 O LYS A 67 13.908 -27.205 -2.571 1.00 60.02 O ATOM 998 CB LYS A 67 12.915 -29.463 -0.585 1.00 55.33 C ATOM 999 CG LYS A 67 13.954 -29.879 0.441 1.00 32.11 C ATOM 1000 CD LYS A 67 13.369 -29.916 1.843 1.00 4.53 C ATOM 1001 CE LYS A 67 14.457 -30.065 2.897 1.00 54.55 C ATOM 1002 NZ LYS A 67 14.321 -29.052 3.980 1.00 22.44 N ATOM 0 H LYS A 67 10.769 -28.419 0.069 1.00 44.05 H new ATOM 0 HA LYS A 67 13.445 -27.450 -0.047 1.00 15.10 H new ATOM 0 HB2 LYS A 67 11.971 -29.957 -0.354 1.00 55.33 H new ATOM 0 HB3 LYS A 67 13.227 -29.815 -1.569 1.00 55.33 H new ATOM 0 HG2 LYS A 67 14.347 -30.862 0.184 1.00 32.11 H new ATOM 0 HG3 LYS A 67 14.793 -29.183 0.414 1.00 32.11 H new ATOM 0 HD2 LYS A 67 12.805 -29.002 2.027 1.00 4.53 H new ATOM 0 HD3 LYS A 67 12.667 -30.746 1.924 1.00 4.53 H new ATOM 0 HE2 LYS A 67 14.411 -31.065 3.327 1.00 54.55 H new ATOM 0 HE3 LYS A 67 15.435 -29.965 2.426 1.00 54.55 H new ATOM 0 HZ1 LYS A 67 15.158 -28.435 3.986 1.00 22.44 H new ATOM 0 HZ2 LYS A 67 13.470 -28.478 3.814 1.00 22.44 H new ATOM 0 HZ3 LYS A 67 14.240 -29.534 4.898 1.00 22.44 H new ATOM 1016 N GLN A 68 11.670 -27.343 -2.764 1.00 61.31 N ATOM 1017 CA GLN A 68 11.652 -26.887 -4.149 1.00 33.40 C ATOM 1018 C GLN A 68 11.619 -25.364 -4.220 1.00 73.33 C ATOM 1019 O GLN A 68 12.002 -24.772 -5.230 1.00 30.24 O ATOM 1020 CB GLN A 68 10.444 -27.471 -4.884 1.00 54.50 C ATOM 1021 CG GLN A 68 9.187 -26.625 -4.755 1.00 72.11 C ATOM 1022 CD GLN A 68 7.926 -27.463 -4.672 1.00 50.22 C ATOM 1023 OE1 GLN A 68 7.914 -28.629 -5.069 1.00 2.52 O ATOM 1024 NE2 GLN A 68 6.855 -26.872 -4.155 1.00 3.12 N ATOM 0 H GLN A 68 10.750 -27.553 -2.377 1.00 61.31 H new ATOM 0 HA GLN A 68 12.565 -27.235 -4.632 1.00 33.40 H new ATOM 0 HB2 GLN A 68 10.690 -27.582 -5.940 1.00 54.50 H new ATOM 0 HB3 GLN A 68 10.241 -28.470 -4.497 1.00 54.50 H new ATOM 0 HG2 GLN A 68 9.263 -26.001 -3.865 1.00 72.11 H new ATOM 0 HG3 GLN A 68 9.117 -25.953 -5.610 1.00 72.11 H new ATOM 0 HE21 GLN A 68 6.910 -25.904 -3.838 1.00 3.12 H new ATOM 0 HE22 GLN A 68 5.978 -27.386 -4.074 1.00 3.12 H new ATOM 1033 N ILE A 69 11.158 -24.736 -3.144 1.00 22.44 N ATOM 1034 CA ILE A 69 11.076 -23.282 -3.085 1.00 20.45 C ATOM 1035 C ILE A 69 12.456 -22.648 -3.220 1.00 1.13 C ATOM 1036 O ILE A 69 12.602 -21.567 -3.791 1.00 13.35 O ATOM 1037 CB ILE A 69 10.432 -22.808 -1.768 1.00 51.15 C ATOM 1038 CG1 ILE A 69 8.983 -23.291 -1.682 1.00 14.54 C ATOM 1039 CG2 ILE A 69 10.498 -21.292 -1.663 1.00 2.41 C ATOM 1040 CD1 ILE A 69 8.296 -22.912 -0.388 1.00 2.11 C ATOM 0 H ILE A 69 10.836 -25.211 -2.301 1.00 22.44 H new ATOM 0 HA ILE A 69 10.451 -22.967 -3.920 1.00 20.45 H new ATOM 0 HB ILE A 69 10.988 -23.235 -0.933 1.00 51.15 H new ATOM 0 HG12 ILE A 69 8.420 -22.876 -2.518 1.00 14.54 H new ATOM 0 HG13 ILE A 69 8.963 -24.375 -1.791 1.00 14.54 H new ATOM 0 HG21 ILE A 69 10.039 -20.972 -0.728 1.00 2.41 H new ATOM 0 HG22 ILE A 69 11.539 -20.971 -1.685 1.00 2.41 H new ATOM 0 HG23 ILE A 69 9.963 -20.846 -2.501 1.00 2.41 H new ATOM 0 HD11 ILE A 69 7.272 -23.287 -0.396 1.00 2.11 H new ATOM 0 HD12 ILE A 69 8.836 -23.349 0.452 1.00 2.11 H new ATOM 0 HD13 ILE A 69 8.284 -21.827 -0.287 1.00 2.11 H new ATOM 1052 N LYS A 70 13.468 -23.328 -2.692 1.00 62.11 N ATOM 1053 CA LYS A 70 14.838 -22.834 -2.756 1.00 25.04 C ATOM 1054 C LYS A 70 15.476 -23.169 -4.100 1.00 53.35 C ATOM 1055 O LYS A 70 16.386 -22.476 -4.555 1.00 32.11 O ATOM 1056 CB LYS A 70 15.672 -23.434 -1.621 1.00 31.00 C ATOM 1057 CG LYS A 70 15.985 -22.448 -0.509 1.00 14.12 C ATOM 1058 CD LYS A 70 14.965 -22.532 0.614 1.00 32.44 C ATOM 1059 CE LYS A 70 13.910 -21.444 0.492 1.00 14.32 C ATOM 1060 NZ LYS A 70 14.503 -20.082 0.595 1.00 3.12 N ATOM 0 H LYS A 70 13.365 -24.223 -2.215 1.00 62.11 H new ATOM 0 HA LYS A 70 14.811 -21.750 -2.646 1.00 25.04 H new ATOM 0 HB2 LYS A 70 15.138 -24.286 -1.200 1.00 31.00 H new ATOM 0 HB3 LYS A 70 16.607 -23.815 -2.031 1.00 31.00 H new ATOM 0 HG2 LYS A 70 16.981 -22.649 -0.113 1.00 14.12 H new ATOM 0 HG3 LYS A 70 16.000 -21.436 -0.913 1.00 14.12 H new ATOM 0 HD2 LYS A 70 14.484 -23.510 0.597 1.00 32.44 H new ATOM 0 HD3 LYS A 70 15.472 -22.442 1.575 1.00 32.44 H new ATOM 0 HE2 LYS A 70 13.394 -21.544 -0.463 1.00 14.32 H new ATOM 0 HE3 LYS A 70 13.162 -21.574 1.274 1.00 14.32 H new ATOM 0 HZ1 LYS A 70 14.048 -19.563 1.373 1.00 3.12 H new ATOM 0 HZ2 LYS A 70 15.523 -20.161 0.782 1.00 3.12 H new ATOM 0 HZ3 LYS A 70 14.353 -19.570 -0.297 1.00 3.12 H new ATOM 1074 N GLN A 71 14.990 -24.233 -4.732 1.00 4.14 N ATOM 1075 CA GLN A 71 15.513 -24.658 -6.025 1.00 1.41 C ATOM 1076 C GLN A 71 14.857 -23.878 -7.160 1.00 2.02 C ATOM 1077 O GLN A 71 15.425 -23.745 -8.244 1.00 21.30 O ATOM 1078 CB GLN A 71 15.286 -26.157 -6.223 1.00 22.41 C ATOM 1079 CG GLN A 71 16.568 -26.975 -6.201 1.00 52.45 C ATOM 1080 CD GLN A 71 16.767 -27.781 -7.470 1.00 2.41 C ATOM 1081 OE1 GLN A 71 15.912 -28.580 -7.852 1.00 23.31 O ATOM 1082 NE2 GLN A 71 17.900 -27.574 -8.131 1.00 2.01 N ATOM 0 H GLN A 71 14.235 -24.816 -4.370 1.00 4.14 H new ATOM 0 HA GLN A 71 16.584 -24.455 -6.040 1.00 1.41 H new ATOM 0 HB2 GLN A 71 14.619 -26.521 -5.442 1.00 22.41 H new ATOM 0 HB3 GLN A 71 14.779 -26.317 -7.175 1.00 22.41 H new ATOM 0 HG2 GLN A 71 17.418 -26.307 -6.062 1.00 52.45 H new ATOM 0 HG3 GLN A 71 16.549 -27.650 -5.345 1.00 52.45 H new ATOM 0 HE21 GLN A 71 18.581 -26.902 -7.778 1.00 2.01 H new ATOM 0 HE22 GLN A 71 18.089 -28.087 -8.992 1.00 2.01 H new ATOM 1091 N ARG A 72 13.659 -23.365 -6.903 1.00 14.51 N ATOM 1092 CA ARG A 72 12.925 -22.599 -7.904 1.00 33.34 C ATOM 1093 C ARG A 72 13.003 -21.104 -7.610 1.00 32.14 C ATOM 1094 O ARG A 72 13.417 -20.314 -8.459 1.00 21.42 O ATOM 1095 CB ARG A 72 11.462 -23.046 -7.946 1.00 42.15 C ATOM 1096 CG ARG A 72 10.895 -23.139 -9.353 1.00 72.04 C ATOM 1097 CD ARG A 72 10.211 -21.845 -9.765 1.00 41.42 C ATOM 1098 NE ARG A 72 10.118 -21.713 -11.217 1.00 15.23 N ATOM 1099 CZ ARG A 72 9.298 -22.438 -11.969 1.00 71.42 C ATOM 1100 NH1 ARG A 72 8.505 -23.342 -11.410 1.00 71.01 N ATOM 1101 NH2 ARG A 72 9.270 -22.260 -13.284 1.00 31.32 N ATOM 0 H ARG A 72 13.175 -23.465 -6.011 1.00 14.51 H new ATOM 0 HA ARG A 72 13.383 -22.785 -8.875 1.00 33.34 H new ATOM 0 HB2 ARG A 72 11.374 -24.019 -7.463 1.00 42.15 H new ATOM 0 HB3 ARG A 72 10.860 -22.346 -7.366 1.00 42.15 H new ATOM 0 HG2 ARG A 72 11.697 -23.367 -10.055 1.00 72.04 H new ATOM 0 HG3 ARG A 72 10.182 -23.961 -9.405 1.00 72.04 H new ATOM 0 HD2 ARG A 72 9.211 -21.810 -9.333 1.00 41.42 H new ATOM 0 HD3 ARG A 72 10.763 -20.998 -9.359 1.00 41.42 H new ATOM 0 HE ARG A 72 10.715 -21.027 -11.678 1.00 15.23 H new ATOM 0 HH11 ARG A 72 8.524 -23.482 -10.400 1.00 71.01 H new ATOM 0 HH12 ARG A 72 7.876 -23.897 -11.990 1.00 71.01 H new ATOM 0 HH21 ARG A 72 9.879 -21.566 -13.718 1.00 31.32 H new ATOM 0 HH22 ARG A 72 8.640 -22.817 -13.861 1.00 31.32 H new ATOM 1115 N HIS A 73 12.601 -20.722 -6.401 1.00 43.03 N ATOM 1116 CA HIS A 73 12.626 -19.321 -5.995 1.00 32.30 C ATOM 1117 C HIS A 73 13.649 -19.095 -4.886 1.00 62.13 C ATOM 1118 O HIS A 73 13.308 -18.962 -3.711 1.00 30.52 O ATOM 1119 CB HIS A 73 11.240 -18.881 -5.523 1.00 53.02 C ATOM 1120 CG HIS A 73 10.121 -19.446 -6.342 1.00 75.24 C ATOM 1121 ND1 HIS A 73 9.657 -18.850 -7.497 1.00 23.45 N ATOM 1122 CD2 HIS A 73 9.372 -20.561 -6.170 1.00 3.22 C ATOM 1123 CE1 HIS A 73 8.671 -19.573 -7.997 1.00 64.13 C ATOM 1124 NE2 HIS A 73 8.479 -20.617 -7.211 1.00 40.02 N ATOM 0 H HIS A 73 12.255 -21.362 -5.687 1.00 43.03 H new ATOM 0 HA HIS A 73 12.915 -18.723 -6.859 1.00 32.30 H new ATOM 0 HB2 HIS A 73 11.107 -19.182 -4.484 1.00 53.02 H new ATOM 0 HB3 HIS A 73 11.185 -17.793 -5.549 1.00 53.02 H new ATOM 0 HD1 HIS A 73 10.019 -17.986 -7.901 1.00 23.45 H new ATOM 0 HD2 HIS A 73 9.461 -21.274 -5.364 1.00 3.22 H new ATOM 0 HE1 HIS A 73 8.116 -19.349 -8.896 1.00 64.13 H new ATOM 1132 N PRO A 74 14.935 -19.050 -5.267 1.00 34.52 N ATOM 1133 CA PRO A 74 16.034 -18.841 -4.320 1.00 13.32 C ATOM 1134 C PRO A 74 16.050 -17.424 -3.755 1.00 71.40 C ATOM 1135 O PRO A 74 16.249 -17.226 -2.557 1.00 31.31 O ATOM 1136 CB PRO A 74 17.284 -19.093 -5.166 1.00 21.31 C ATOM 1137 CG PRO A 74 16.861 -18.801 -6.564 1.00 11.30 C ATOM 1138 CD PRO A 74 15.414 -19.201 -6.651 1.00 40.20 C ATOM 0 HA PRO A 74 15.953 -19.493 -3.450 1.00 13.32 H new ATOM 0 HB2 PRO A 74 18.107 -18.448 -4.858 1.00 21.31 H new ATOM 0 HB3 PRO A 74 17.630 -20.121 -5.064 1.00 21.31 H new ATOM 0 HG2 PRO A 74 16.988 -17.744 -6.798 1.00 11.30 H new ATOM 0 HG3 PRO A 74 17.464 -19.360 -7.279 1.00 11.30 H new ATOM 0 HD2 PRO A 74 14.861 -18.562 -7.340 1.00 40.20 H new ATOM 0 HD3 PRO A 74 15.301 -20.225 -7.006 1.00 40.20 H new ATOM 1146 N MET A 75 15.839 -16.443 -4.626 1.00 12.34 N ATOM 1147 CA MET A 75 15.828 -15.044 -4.212 1.00 74.30 C ATOM 1148 C MET A 75 14.573 -14.726 -3.405 1.00 52.02 C ATOM 1149 O MET A 75 14.455 -13.648 -2.821 1.00 30.01 O ATOM 1150 CB MET A 75 15.908 -14.128 -5.435 1.00 0.05 C ATOM 1151 CG MET A 75 14.709 -14.245 -6.362 1.00 22.13 C ATOM 1152 SD MET A 75 13.968 -12.647 -6.744 1.00 50.50 S ATOM 1153 CE MET A 75 12.378 -12.809 -5.936 1.00 53.21 C ATOM 0 H MET A 75 15.673 -16.590 -5.622 1.00 12.34 H new ATOM 0 HA MET A 75 16.699 -14.871 -3.580 1.00 74.30 H new ATOM 0 HB2 MET A 75 15.998 -13.095 -5.099 1.00 0.05 H new ATOM 0 HB3 MET A 75 16.814 -14.361 -5.995 1.00 0.05 H new ATOM 0 HG2 MET A 75 15.017 -14.729 -7.289 1.00 22.13 H new ATOM 0 HG3 MET A 75 13.959 -14.888 -5.901 1.00 22.13 H new ATOM 0 HE1 MET A 75 11.801 -11.896 -6.083 1.00 53.21 H new ATOM 0 HE2 MET A 75 11.837 -13.653 -6.363 1.00 53.21 H new ATOM 0 HE3 MET A 75 12.527 -12.976 -4.869 1.00 53.21 H new ATOM 1163 N LEU A 76 13.638 -15.669 -3.377 1.00 70.31 N ATOM 1164 CA LEU A 76 12.391 -15.489 -2.642 1.00 21.14 C ATOM 1165 C LEU A 76 12.538 -15.957 -1.197 1.00 63.13 C ATOM 1166 O LEU A 76 12.686 -17.147 -0.916 1.00 53.33 O ATOM 1167 CB LEU A 76 11.257 -16.256 -3.325 1.00 45.31 C ATOM 1168 CG LEU A 76 10.004 -16.492 -2.482 1.00 73.44 C ATOM 1169 CD1 LEU A 76 9.322 -15.172 -2.157 1.00 62.31 C ATOM 1170 CD2 LEU A 76 9.044 -17.426 -3.205 1.00 31.41 C ATOM 0 H LEU A 76 13.720 -16.566 -3.855 1.00 70.31 H new ATOM 0 HA LEU A 76 12.151 -14.426 -2.638 1.00 21.14 H new ATOM 0 HB2 LEU A 76 10.968 -15.713 -4.225 1.00 45.31 H new ATOM 0 HB3 LEU A 76 11.642 -17.224 -3.647 1.00 45.31 H new ATOM 0 HG LEU A 76 10.303 -16.963 -1.545 1.00 73.44 H new ATOM 0 HD11 LEU A 76 8.432 -15.360 -1.556 1.00 62.31 H new ATOM 0 HD12 LEU A 76 10.009 -14.536 -1.599 1.00 62.31 H new ATOM 0 HD13 LEU A 76 9.036 -14.673 -3.083 1.00 62.31 H new ATOM 0 HD21 LEU A 76 8.157 -17.583 -2.591 1.00 31.41 H new ATOM 0 HD22 LEU A 76 8.752 -16.982 -4.157 1.00 31.41 H new ATOM 0 HD23 LEU A 76 9.534 -18.383 -3.386 1.00 31.41 H new ATOM 1182 N PRO A 77 12.496 -15.001 -0.258 1.00 15.32 N ATOM 1183 CA PRO A 77 12.620 -15.291 1.174 1.00 75.23 C ATOM 1184 C PRO A 77 11.401 -16.023 1.724 1.00 34.53 C ATOM 1185 O PRO A 77 10.261 -15.657 1.437 1.00 42.24 O ATOM 1186 CB PRO A 77 12.741 -13.903 1.808 1.00 63.41 C ATOM 1187 CG PRO A 77 12.069 -12.987 0.845 1.00 10.42 C ATOM 1188 CD PRO A 77 12.322 -13.562 -0.521 1.00 23.23 C ATOM 0 HA PRO A 77 13.465 -15.946 1.386 1.00 75.23 H new ATOM 0 HB2 PRO A 77 12.260 -13.871 2.786 1.00 63.41 H new ATOM 0 HB3 PRO A 77 13.784 -13.625 1.956 1.00 63.41 H new ATOM 0 HG2 PRO A 77 11.000 -12.922 1.049 1.00 10.42 H new ATOM 0 HG3 PRO A 77 12.470 -11.976 0.923 1.00 10.42 H new ATOM 0 HD2 PRO A 77 11.487 -13.375 -1.197 1.00 23.23 H new ATOM 0 HD3 PRO A 77 13.209 -13.128 -0.982 1.00 23.23 H new ATOM 1196 N VAL A 78 11.648 -17.061 2.518 1.00 13.43 N ATOM 1197 CA VAL A 78 10.570 -17.844 3.111 1.00 51.42 C ATOM 1198 C VAL A 78 10.793 -18.043 4.606 1.00 62.13 C ATOM 1199 O VAL A 78 11.930 -18.045 5.079 1.00 41.52 O ATOM 1200 CB VAL A 78 10.439 -19.221 2.434 1.00 23.01 C ATOM 1201 CG1 VAL A 78 9.380 -20.060 3.131 1.00 33.44 C ATOM 1202 CG2 VAL A 78 10.116 -19.060 0.956 1.00 1.44 C ATOM 0 H VAL A 78 12.585 -17.379 2.765 1.00 13.43 H new ATOM 0 HA VAL A 78 9.649 -17.283 2.956 1.00 51.42 H new ATOM 0 HB VAL A 78 11.394 -19.740 2.519 1.00 23.01 H new ATOM 0 HG11 VAL A 78 9.302 -21.029 2.639 1.00 33.44 H new ATOM 0 HG12 VAL A 78 9.659 -20.205 4.175 1.00 33.44 H new ATOM 0 HG13 VAL A 78 8.419 -19.548 3.080 1.00 33.44 H new ATOM 0 HG21 VAL A 78 10.027 -20.043 0.494 1.00 1.44 H new ATOM 0 HG22 VAL A 78 9.175 -18.521 0.846 1.00 1.44 H new ATOM 0 HG23 VAL A 78 10.914 -18.501 0.468 1.00 1.44 H new ATOM 1212 N ILE A 79 9.701 -18.212 5.344 1.00 45.20 N ATOM 1213 CA ILE A 79 9.778 -18.414 6.785 1.00 5.14 C ATOM 1214 C ILE A 79 9.054 -19.690 7.201 1.00 1.20 C ATOM 1215 O ILE A 79 7.957 -19.977 6.722 1.00 54.42 O ATOM 1216 CB ILE A 79 9.177 -17.222 7.554 1.00 65.20 C ATOM 1217 CG1 ILE A 79 9.824 -15.913 7.096 1.00 62.52 C ATOM 1218 CG2 ILE A 79 9.359 -17.413 9.052 1.00 14.24 C ATOM 1219 CD1 ILE A 79 8.942 -14.701 7.296 1.00 70.12 C ATOM 0 H ILE A 79 8.753 -18.213 4.968 1.00 45.20 H new ATOM 0 HA ILE A 79 10.835 -18.501 7.035 1.00 5.14 H new ATOM 0 HB ILE A 79 8.109 -17.172 7.341 1.00 65.20 H new ATOM 0 HG12 ILE A 79 10.756 -15.768 7.641 1.00 62.52 H new ATOM 0 HG13 ILE A 79 10.082 -15.994 6.040 1.00 62.52 H new ATOM 0 HG21 ILE A 79 8.929 -16.563 9.582 1.00 14.24 H new ATOM 0 HG22 ILE A 79 8.856 -18.328 9.366 1.00 14.24 H new ATOM 0 HG23 ILE A 79 10.422 -17.485 9.283 1.00 14.24 H new ATOM 0 HD11 ILE A 79 9.465 -13.809 6.950 1.00 70.12 H new ATOM 0 HD12 ILE A 79 8.020 -14.825 6.728 1.00 70.12 H new ATOM 0 HD13 ILE A 79 8.705 -14.594 8.355 1.00 70.12 H new ATOM 1231 N ILE A 80 9.674 -20.451 8.096 1.00 5.02 N ATOM 1232 CA ILE A 80 9.087 -21.695 8.579 1.00 43.24 C ATOM 1233 C ILE A 80 8.439 -21.503 9.946 1.00 42.25 C ATOM 1234 O ILE A 80 8.966 -20.790 10.799 1.00 42.42 O ATOM 1235 CB ILE A 80 10.141 -22.814 8.675 1.00 34.31 C ATOM 1236 CG1 ILE A 80 10.889 -22.956 7.348 1.00 1.11 C ATOM 1237 CG2 ILE A 80 9.481 -24.130 9.060 1.00 22.15 C ATOM 1238 CD1 ILE A 80 10.093 -23.670 6.278 1.00 12.34 C ATOM 0 H ILE A 80 10.583 -20.228 8.502 1.00 5.02 H new ATOM 0 HA ILE A 80 8.325 -21.986 7.856 1.00 43.24 H new ATOM 0 HB ILE A 80 10.861 -22.550 9.449 1.00 34.31 H new ATOM 0 HG12 ILE A 80 11.161 -21.965 6.986 1.00 1.11 H new ATOM 0 HG13 ILE A 80 11.818 -23.499 7.521 1.00 1.11 H new ATOM 0 HG21 ILE A 80 10.238 -24.912 9.124 1.00 22.15 H new ATOM 0 HG22 ILE A 80 8.989 -24.021 10.027 1.00 22.15 H new ATOM 0 HG23 ILE A 80 8.743 -24.401 8.305 1.00 22.15 H new ATOM 0 HD11 ILE A 80 10.686 -23.734 5.365 1.00 12.34 H new ATOM 0 HD12 ILE A 80 9.843 -24.674 6.620 1.00 12.34 H new ATOM 0 HD13 ILE A 80 9.176 -23.117 6.077 1.00 12.34 H new ATOM 1250 N MET A 81 7.294 -22.146 10.147 1.00 54.24 N ATOM 1251 CA MET A 81 6.575 -22.048 11.412 1.00 73.13 C ATOM 1252 C MET A 81 6.288 -23.433 11.982 1.00 22.45 C ATOM 1253 O MET A 81 5.793 -24.316 11.280 1.00 11.35 O ATOM 1254 CB MET A 81 5.265 -21.281 11.221 1.00 74.54 C ATOM 1255 CG MET A 81 5.410 -19.778 11.390 1.00 1.11 C ATOM 1256 SD MET A 81 4.362 -18.847 10.257 1.00 51.55 S ATOM 1257 CE MET A 81 2.838 -19.783 10.358 1.00 43.24 C ATOM 0 H MET A 81 6.844 -22.740 9.451 1.00 54.24 H new ATOM 0 HA MET A 81 7.205 -21.507 12.118 1.00 73.13 H new ATOM 0 HB2 MET A 81 4.873 -21.490 10.226 1.00 74.54 H new ATOM 0 HB3 MET A 81 4.530 -21.650 11.937 1.00 74.54 H new ATOM 0 HG2 MET A 81 5.161 -19.506 12.416 1.00 1.11 H new ATOM 0 HG3 MET A 81 6.451 -19.497 11.230 1.00 1.11 H new ATOM 0 HE1 MET A 81 2.136 -19.418 9.608 1.00 43.24 H new ATOM 0 HE2 MET A 81 3.046 -20.838 10.178 1.00 43.24 H new ATOM 0 HE3 MET A 81 2.403 -19.664 11.350 1.00 43.24 H new ATOM 1267 N THR A 82 6.603 -23.619 13.261 1.00 41.32 N ATOM 1268 CA THR A 82 6.381 -24.897 13.925 1.00 11.31 C ATOM 1269 C THR A 82 6.855 -24.853 15.373 1.00 32.33 C ATOM 1270 O THR A 82 6.072 -25.066 16.299 1.00 63.41 O ATOM 1271 CB THR A 82 7.105 -26.043 13.194 1.00 32.22 C ATOM 1272 OG1 THR A 82 7.270 -27.159 14.076 1.00 70.31 O ATOM 1273 CG2 THR A 82 8.464 -25.587 12.685 1.00 72.42 C ATOM 0 H THR A 82 7.013 -22.900 13.857 1.00 41.32 H new ATOM 0 HA THR A 82 5.307 -25.083 13.902 1.00 11.31 H new ATOM 0 HB THR A 82 6.497 -26.342 12.340 1.00 32.22 H new ATOM 0 HG1 THR A 82 8.123 -27.076 14.552 1.00 70.31 H new ATOM 0 HG21 THR A 82 8.956 -26.413 12.172 1.00 72.42 H new ATOM 0 HG22 THR A 82 8.333 -24.756 11.992 1.00 72.42 H new ATOM 0 HG23 THR A 82 9.078 -25.264 13.526 1.00 72.42 H new ATOM 1281 N ALA A 83 8.141 -24.575 15.562 1.00 34.42 N ATOM 1282 CA ALA A 83 8.718 -24.501 16.899 1.00 72.33 C ATOM 1283 C ALA A 83 8.947 -25.894 17.475 1.00 23.15 C ATOM 1284 O ALA A 83 10.084 -26.288 17.740 1.00 72.15 O ATOM 1285 CB ALA A 83 7.818 -23.689 17.818 1.00 52.11 C ATOM 0 H ALA A 83 8.803 -24.397 14.806 1.00 34.42 H new ATOM 0 HA ALA A 83 9.685 -24.004 16.824 1.00 72.33 H new ATOM 0 HB1 ALA A 83 8.261 -23.642 18.813 1.00 52.11 H new ATOM 0 HB2 ALA A 83 7.709 -22.680 17.421 1.00 52.11 H new ATOM 0 HB3 ALA A 83 6.838 -24.163 17.879 1.00 52.11 H new ATOM 1291 N HIS A 84 7.861 -26.636 17.670 1.00 43.43 N ATOM 1292 CA HIS A 84 7.945 -27.985 18.216 1.00 71.51 C ATOM 1293 C HIS A 84 8.782 -28.886 17.313 1.00 5.00 C ATOM 1294 O HIS A 84 9.517 -28.405 16.450 1.00 22.51 O ATOM 1295 CB HIS A 84 6.545 -28.576 18.388 1.00 22.31 C ATOM 1296 CG HIS A 84 5.893 -28.957 17.095 1.00 73.21 C ATOM 1297 ND1 HIS A 84 5.628 -30.264 16.742 1.00 42.44 N ATOM 1298 CD2 HIS A 84 5.449 -28.194 16.069 1.00 61.24 C ATOM 1299 CE1 HIS A 84 5.052 -30.288 15.553 1.00 12.21 C ATOM 1300 NE2 HIS A 84 4.931 -29.045 15.123 1.00 2.21 N ATOM 0 H HIS A 84 6.913 -26.325 17.458 1.00 43.43 H new ATOM 0 HA HIS A 84 8.429 -27.926 19.191 1.00 71.51 H new ATOM 0 HB2 HIS A 84 6.607 -29.457 19.027 1.00 22.31 H new ATOM 0 HB3 HIS A 84 5.915 -27.852 18.904 1.00 22.31 H new ATOM 0 HD2 HIS A 84 5.494 -27.117 16.006 1.00 61.24 H new ATOM 0 HE1 HIS A 84 4.734 -31.174 15.023 1.00 12.21 H new ATOM 0 HE2 HIS A 84 4.520 -28.763 14.233 1.00 2.21 H new ATOM 1308 N SER A 85 8.667 -30.194 17.519 1.00 60.14 N ATOM 1309 CA SER A 85 9.417 -31.162 16.726 1.00 1.43 C ATOM 1310 C SER A 85 9.333 -30.828 15.240 1.00 71.31 C ATOM 1311 O SER A 85 8.383 -31.214 14.559 1.00 74.12 O ATOM 1312 CB SER A 85 8.888 -32.575 16.974 1.00 31.44 C ATOM 1313 OG SER A 85 8.269 -32.673 18.245 1.00 1.45 O ATOM 0 H SER A 85 8.062 -30.608 18.228 1.00 60.14 H new ATOM 0 HA SER A 85 10.462 -31.114 17.032 1.00 1.43 H new ATOM 0 HB2 SER A 85 8.172 -32.840 16.196 1.00 31.44 H new ATOM 0 HB3 SER A 85 9.708 -33.290 16.910 1.00 31.44 H new ATOM 0 HG SER A 85 7.938 -33.586 18.378 1.00 1.45 H new ATOM 1319 N ASP A 86 10.334 -30.109 14.744 1.00 73.32 N ATOM 1320 CA ASP A 86 10.375 -29.724 13.338 1.00 71.01 C ATOM 1321 C ASP A 86 11.513 -28.743 13.077 1.00 43.35 C ATOM 1322 O ASP A 86 12.087 -28.717 11.987 1.00 50.22 O ATOM 1323 CB ASP A 86 9.042 -29.102 12.918 1.00 2.23 C ATOM 1324 CG ASP A 86 8.368 -29.876 11.803 1.00 55.10 C ATOM 1325 OD1 ASP A 86 8.458 -31.122 11.806 1.00 43.44 O ATOM 1326 OD2 ASP A 86 7.748 -29.236 10.928 1.00 71.11 O ATOM 0 H ASP A 86 11.128 -29.781 15.294 1.00 73.32 H new ATOM 0 HA ASP A 86 10.550 -30.622 12.746 1.00 71.01 H new ATOM 0 HB2 ASP A 86 8.377 -29.059 13.780 1.00 2.23 H new ATOM 0 HB3 ASP A 86 9.210 -28.075 12.594 1.00 2.23 H new ATOM 1331 N LEU A 87 11.835 -27.936 14.082 1.00 73.20 N ATOM 1332 CA LEU A 87 12.904 -26.952 13.961 1.00 3.40 C ATOM 1333 C LEU A 87 14.269 -27.632 13.927 1.00 2.41 C ATOM 1334 O LEU A 87 15.139 -27.262 13.138 1.00 53.31 O ATOM 1335 CB LEU A 87 12.845 -25.960 15.124 1.00 52.51 C ATOM 1336 CG LEU A 87 12.453 -24.526 14.764 1.00 44.12 C ATOM 1337 CD1 LEU A 87 11.219 -24.517 13.876 1.00 51.32 C ATOM 1338 CD2 LEU A 87 12.213 -23.706 16.023 1.00 31.32 C ATOM 0 H LEU A 87 11.371 -27.944 14.990 1.00 73.20 H new ATOM 0 HA LEU A 87 12.764 -26.413 13.024 1.00 3.40 H new ATOM 0 HB2 LEU A 87 12.134 -26.336 15.860 1.00 52.51 H new ATOM 0 HB3 LEU A 87 13.822 -25.938 15.607 1.00 52.51 H new ATOM 0 HG LEU A 87 13.276 -24.073 14.211 1.00 44.12 H new ATOM 0 HD11 LEU A 87 10.955 -23.488 13.630 1.00 51.32 H new ATOM 0 HD12 LEU A 87 11.427 -25.067 12.958 1.00 51.32 H new ATOM 0 HD13 LEU A 87 10.389 -24.989 14.402 1.00 51.32 H new ATOM 0 HD21 LEU A 87 11.935 -22.689 15.747 1.00 31.32 H new ATOM 0 HD22 LEU A 87 11.408 -24.157 16.603 1.00 31.32 H new ATOM 0 HD23 LEU A 87 13.124 -23.684 16.622 1.00 31.32 H new ATOM 1350 N ASP A 88 14.449 -28.628 14.787 1.00 61.44 N ATOM 1351 CA ASP A 88 15.707 -29.363 14.853 1.00 1.00 C ATOM 1352 C ASP A 88 16.172 -29.771 13.459 1.00 62.43 C ATOM 1353 O ASP A 88 17.371 -29.829 13.186 1.00 73.13 O ATOM 1354 CB ASP A 88 15.553 -30.602 15.736 1.00 33.21 C ATOM 1355 CG ASP A 88 16.887 -31.218 16.108 1.00 62.34 C ATOM 1356 OD1 ASP A 88 17.616 -30.611 16.920 1.00 32.03 O ATOM 1357 OD2 ASP A 88 17.203 -32.308 15.586 1.00 34.24 O ATOM 0 H ASP A 88 13.740 -28.945 15.448 1.00 61.44 H new ATOM 0 HA ASP A 88 16.460 -28.707 15.290 1.00 1.00 H new ATOM 0 HB2 ASP A 88 15.015 -30.332 16.645 1.00 33.21 H new ATOM 0 HB3 ASP A 88 14.947 -31.343 15.215 1.00 33.21 H new ATOM 1362 N ALA A 89 15.216 -30.055 12.581 1.00 54.22 N ATOM 1363 CA ALA A 89 15.527 -30.457 11.215 1.00 41.12 C ATOM 1364 C ALA A 89 15.691 -29.242 10.309 1.00 43.53 C ATOM 1365 O ALA A 89 16.611 -29.184 9.493 1.00 54.33 O ATOM 1366 CB ALA A 89 14.442 -31.377 10.675 1.00 22.32 C ATOM 0 H ALA A 89 14.219 -30.014 12.792 1.00 54.22 H new ATOM 0 HA ALA A 89 16.473 -30.998 11.229 1.00 41.12 H new ATOM 0 HB1 ALA A 89 14.688 -31.669 9.654 1.00 22.32 H new ATOM 0 HB2 ALA A 89 14.375 -32.267 11.301 1.00 22.32 H new ATOM 0 HB3 ALA A 89 13.485 -30.855 10.683 1.00 22.32 H new ATOM 1372 N ALA A 90 14.794 -28.273 10.457 1.00 13.23 N ATOM 1373 CA ALA A 90 14.840 -27.058 9.653 1.00 24.10 C ATOM 1374 C ALA A 90 16.111 -26.263 9.932 1.00 25.24 C ATOM 1375 O ALA A 90 16.566 -25.485 9.094 1.00 13.50 O ATOM 1376 CB ALA A 90 13.611 -26.202 9.918 1.00 1.24 C ATOM 0 H ALA A 90 14.026 -28.306 11.127 1.00 13.23 H new ATOM 0 HA ALA A 90 14.847 -27.348 8.602 1.00 24.10 H new ATOM 0 HB1 ALA A 90 13.659 -25.298 9.311 1.00 1.24 H new ATOM 0 HB2 ALA A 90 12.713 -26.764 9.661 1.00 1.24 H new ATOM 0 HB3 ALA A 90 13.578 -25.929 10.973 1.00 1.24 H new ATOM 1382 N VAL A 91 16.681 -26.464 11.116 1.00 24.14 N ATOM 1383 CA VAL A 91 17.901 -25.766 11.506 1.00 33.22 C ATOM 1384 C VAL A 91 19.001 -25.961 10.469 1.00 31.10 C ATOM 1385 O VAL A 91 19.520 -24.995 9.910 1.00 13.33 O ATOM 1386 CB VAL A 91 18.411 -26.250 12.877 1.00 73.24 C ATOM 1387 CG1 VAL A 91 19.815 -25.728 13.139 1.00 51.50 C ATOM 1388 CG2 VAL A 91 17.458 -25.820 13.982 1.00 53.05 C ATOM 0 H VAL A 91 16.318 -27.104 11.822 1.00 24.14 H new ATOM 0 HA VAL A 91 17.652 -24.707 11.573 1.00 33.22 H new ATOM 0 HB VAL A 91 18.451 -27.339 12.867 1.00 73.24 H new ATOM 0 HG11 VAL A 91 20.158 -26.080 14.112 1.00 51.50 H new ATOM 0 HG12 VAL A 91 20.489 -26.091 12.363 1.00 51.50 H new ATOM 0 HG13 VAL A 91 19.805 -24.638 13.130 1.00 51.50 H new ATOM 0 HG21 VAL A 91 17.834 -26.170 14.943 1.00 53.05 H new ATOM 0 HG22 VAL A 91 17.384 -24.733 13.996 1.00 53.05 H new ATOM 0 HG23 VAL A 91 16.472 -26.249 13.800 1.00 53.05 H new ATOM 1398 N SER A 92 19.352 -27.218 10.216 1.00 41.22 N ATOM 1399 CA SER A 92 20.394 -27.540 9.248 1.00 74.25 C ATOM 1400 C SER A 92 19.817 -27.624 7.837 1.00 3.34 C ATOM 1401 O SER A 92 20.428 -27.157 6.877 1.00 43.33 O ATOM 1402 CB SER A 92 21.068 -28.863 9.614 1.00 24.31 C ATOM 1403 OG SER A 92 21.733 -29.424 8.495 1.00 31.11 O ATOM 0 H SER A 92 18.930 -28.030 10.668 1.00 41.22 H new ATOM 0 HA SER A 92 21.137 -26.743 9.272 1.00 74.25 H new ATOM 0 HB2 SER A 92 21.782 -28.700 10.421 1.00 24.31 H new ATOM 0 HB3 SER A 92 20.321 -29.564 9.986 1.00 24.31 H new ATOM 0 HG SER A 92 22.157 -30.268 8.756 1.00 31.11 H new ATOM 1409 N ALA A 93 18.636 -28.222 7.722 1.00 24.41 N ATOM 1410 CA ALA A 93 17.976 -28.366 6.431 1.00 74.11 C ATOM 1411 C ALA A 93 17.668 -27.005 5.817 1.00 15.53 C ATOM 1412 O ALA A 93 18.173 -26.667 4.747 1.00 52.35 O ATOM 1413 CB ALA A 93 16.699 -29.181 6.579 1.00 65.41 C ATOM 0 H ALA A 93 18.117 -28.614 8.507 1.00 24.41 H new ATOM 0 HA ALA A 93 18.655 -28.893 5.761 1.00 74.11 H new ATOM 0 HB1 ALA A 93 16.216 -29.281 5.607 1.00 65.41 H new ATOM 0 HB2 ALA A 93 16.942 -30.170 6.967 1.00 65.41 H new ATOM 0 HB3 ALA A 93 16.023 -28.676 7.270 1.00 65.41 H new ATOM 1419 N TYR A 94 16.836 -26.227 6.501 1.00 34.35 N ATOM 1420 CA TYR A 94 16.458 -24.903 6.022 1.00 73.23 C ATOM 1421 C TYR A 94 17.687 -24.017 5.843 1.00 32.23 C ATOM 1422 O TYR A 94 17.636 -22.999 5.153 1.00 30.53 O ATOM 1423 CB TYR A 94 15.478 -24.246 6.995 1.00 0.50 C ATOM 1424 CG TYR A 94 14.542 -23.257 6.337 1.00 62.13 C ATOM 1425 CD1 TYR A 94 13.910 -23.562 5.138 1.00 71.25 C ATOM 1426 CD2 TYR A 94 14.291 -22.018 6.913 1.00 71.11 C ATOM 1427 CE1 TYR A 94 13.055 -22.662 4.532 1.00 75.11 C ATOM 1428 CE2 TYR A 94 13.436 -21.113 6.315 1.00 0.52 C ATOM 1429 CZ TYR A 94 12.820 -21.439 5.125 1.00 45.12 C ATOM 1430 OH TYR A 94 11.969 -20.539 4.526 1.00 43.05 O ATOM 0 H TYR A 94 16.410 -26.491 7.390 1.00 34.35 H new ATOM 0 HA TYR A 94 15.973 -25.020 5.053 1.00 73.23 H new ATOM 0 HB2 TYR A 94 14.888 -25.022 7.483 1.00 0.50 H new ATOM 0 HB3 TYR A 94 16.042 -23.736 7.776 1.00 0.50 H new ATOM 0 HD1 TYR A 94 14.090 -24.519 4.672 1.00 71.25 H new ATOM 0 HD2 TYR A 94 14.773 -21.758 7.844 1.00 71.11 H new ATOM 0 HE1 TYR A 94 12.573 -22.915 3.599 1.00 75.11 H new ATOM 0 HE2 TYR A 94 13.251 -20.155 6.777 1.00 0.52 H new ATOM 0 HH TYR A 94 12.361 -19.642 4.566 1.00 43.05 H new ATOM 1440 N GLN A 95 18.790 -24.413 6.470 1.00 33.33 N ATOM 1441 CA GLN A 95 20.032 -23.656 6.381 1.00 4.33 C ATOM 1442 C GLN A 95 20.633 -23.758 4.983 1.00 4.03 C ATOM 1443 O GLN A 95 21.715 -23.232 4.723 1.00 11.41 O ATOM 1444 CB GLN A 95 21.037 -24.159 7.419 1.00 31.22 C ATOM 1445 CG GLN A 95 21.246 -23.199 8.579 1.00 33.44 C ATOM 1446 CD GLN A 95 22.099 -22.005 8.202 1.00 4.12 C ATOM 1447 OE1 GLN A 95 22.983 -22.103 7.350 1.00 52.10 O ATOM 1448 NE2 GLN A 95 21.840 -20.867 8.836 1.00 32.43 N ATOM 0 H GLN A 95 18.848 -25.254 7.045 1.00 33.33 H new ATOM 0 HA GLN A 95 19.805 -22.609 6.584 1.00 4.33 H new ATOM 0 HB2 GLN A 95 20.695 -25.118 7.809 1.00 31.22 H new ATOM 0 HB3 GLN A 95 21.994 -24.337 6.929 1.00 31.22 H new ATOM 0 HG2 GLN A 95 20.277 -22.850 8.936 1.00 33.44 H new ATOM 0 HG3 GLN A 95 21.717 -23.731 9.405 1.00 33.44 H new ATOM 0 HE21 GLN A 95 21.098 -20.830 9.535 1.00 32.43 H new ATOM 0 HE22 GLN A 95 22.383 -20.030 8.624 1.00 32.43 H new ATOM 1457 N GLN A 96 19.925 -24.439 4.088 1.00 11.13 N ATOM 1458 CA GLN A 96 20.390 -24.611 2.717 1.00 11.41 C ATOM 1459 C GLN A 96 20.321 -23.294 1.950 1.00 60.20 C ATOM 1460 O GLN A 96 20.336 -23.279 0.720 1.00 73.51 O ATOM 1461 CB GLN A 96 19.555 -25.675 2.003 1.00 64.13 C ATOM 1462 CG GLN A 96 19.970 -27.099 2.338 1.00 52.15 C ATOM 1463 CD GLN A 96 20.644 -27.799 1.174 1.00 23.25 C ATOM 1464 OE1 GLN A 96 21.807 -27.535 0.866 1.00 72.44 O ATOM 1465 NE2 GLN A 96 19.917 -28.698 0.522 1.00 72.21 N ATOM 0 H GLN A 96 19.027 -24.881 4.288 1.00 11.13 H new ATOM 0 HA GLN A 96 21.430 -24.937 2.750 1.00 11.41 H new ATOM 0 HB2 GLN A 96 18.506 -25.539 2.267 1.00 64.13 H new ATOM 0 HB3 GLN A 96 19.635 -25.526 0.926 1.00 64.13 H new ATOM 0 HG2 GLN A 96 20.649 -27.085 3.191 1.00 52.15 H new ATOM 0 HG3 GLN A 96 19.091 -27.668 2.640 1.00 52.15 H new ATOM 0 HE21 GLN A 96 18.957 -28.885 0.812 1.00 72.21 H new ATOM 0 HE22 GLN A 96 20.318 -29.202 -0.269 1.00 72.21 H new ATOM 1474 N GLY A 97 20.245 -22.189 2.686 1.00 63.22 N ATOM 1475 CA GLY A 97 20.175 -20.883 2.057 1.00 33.04 C ATOM 1476 C GLY A 97 18.812 -20.238 2.213 1.00 52.04 C ATOM 1477 O GLY A 97 18.356 -19.513 1.328 1.00 24.24 O ATOM 0 H GLY A 97 20.231 -22.175 3.706 1.00 63.22 H new ATOM 0 HA2 GLY A 97 20.934 -20.232 2.492 1.00 33.04 H new ATOM 0 HA3 GLY A 97 20.408 -20.981 0.997 1.00 33.04 H new ATOM 1481 N ALA A 98 18.158 -20.503 3.339 1.00 61.11 N ATOM 1482 CA ALA A 98 16.839 -19.943 3.607 1.00 44.11 C ATOM 1483 C ALA A 98 16.929 -18.763 4.569 1.00 63.11 C ATOM 1484 O ALA A 98 18.022 -18.338 4.946 1.00 73.24 O ATOM 1485 CB ALA A 98 15.915 -21.014 4.167 1.00 51.31 C ATOM 0 H ALA A 98 18.520 -21.102 4.081 1.00 61.11 H new ATOM 0 HA ALA A 98 16.427 -19.580 2.665 1.00 44.11 H new ATOM 0 HB1 ALA A 98 14.934 -20.582 4.363 1.00 51.31 H new ATOM 0 HB2 ALA A 98 15.817 -21.824 3.445 1.00 51.31 H new ATOM 0 HB3 ALA A 98 16.331 -21.404 5.096 1.00 51.31 H new ATOM 1491 N PHE A 99 15.774 -18.237 4.963 1.00 61.34 N ATOM 1492 CA PHE A 99 15.723 -17.105 5.880 1.00 53.23 C ATOM 1493 C PHE A 99 15.323 -17.557 7.281 1.00 73.40 C ATOM 1494 O PHE A 99 14.615 -18.552 7.446 1.00 44.54 O ATOM 1495 CB PHE A 99 14.735 -16.053 5.370 1.00 2.11 C ATOM 1496 CG PHE A 99 14.381 -15.016 6.397 1.00 1.31 C ATOM 1497 CD1 PHE A 99 15.206 -13.923 6.611 1.00 70.24 C ATOM 1498 CD2 PHE A 99 13.223 -15.134 7.149 1.00 5.34 C ATOM 1499 CE1 PHE A 99 14.883 -12.967 7.555 1.00 51.33 C ATOM 1500 CE2 PHE A 99 12.895 -14.180 8.094 1.00 20.24 C ATOM 1501 CZ PHE A 99 13.726 -13.096 8.298 1.00 23.12 C ATOM 0 H PHE A 99 14.861 -18.577 4.661 1.00 61.34 H new ATOM 0 HA PHE A 99 16.719 -16.665 5.930 1.00 53.23 H new ATOM 0 HB2 PHE A 99 15.162 -15.558 4.498 1.00 2.11 H new ATOM 0 HB3 PHE A 99 13.824 -16.552 5.040 1.00 2.11 H new ATOM 0 HD1 PHE A 99 16.112 -13.817 6.033 1.00 70.24 H new ATOM 0 HD2 PHE A 99 12.570 -15.980 6.995 1.00 5.34 H new ATOM 0 HE1 PHE A 99 15.535 -12.120 7.712 1.00 51.33 H new ATOM 0 HE2 PHE A 99 11.989 -14.282 8.673 1.00 20.24 H new ATOM 0 HZ PHE A 99 13.472 -12.351 9.037 1.00 23.12 H new ATOM 1511 N ASP A 100 15.781 -16.821 8.287 1.00 21.12 N ATOM 1512 CA ASP A 100 15.472 -17.145 9.675 1.00 74.41 C ATOM 1513 C ASP A 100 13.988 -17.457 9.842 1.00 33.21 C ATOM 1514 O ASP A 100 13.135 -16.589 9.653 1.00 64.00 O ATOM 1515 CB ASP A 100 15.869 -15.988 10.592 1.00 13.32 C ATOM 1516 CG ASP A 100 15.784 -16.357 12.060 1.00 21.02 C ATOM 1517 OD1 ASP A 100 15.910 -17.558 12.378 1.00 22.34 O ATOM 1518 OD2 ASP A 100 15.593 -15.445 12.891 1.00 53.21 O ATOM 0 H ASP A 100 16.368 -15.995 8.168 1.00 21.12 H new ATOM 0 HA ASP A 100 16.045 -18.030 9.952 1.00 74.41 H new ATOM 0 HB2 ASP A 100 16.886 -15.675 10.357 1.00 13.32 H new ATOM 0 HB3 ASP A 100 15.220 -15.134 10.397 1.00 13.32 H new ATOM 1523 N TYR A 101 13.686 -18.701 10.196 1.00 23.44 N ATOM 1524 CA TYR A 101 12.305 -19.129 10.386 1.00 62.05 C ATOM 1525 C TYR A 101 11.747 -18.601 11.704 1.00 62.32 C ATOM 1526 O TYR A 101 12.495 -18.145 12.570 1.00 53.11 O ATOM 1527 CB TYR A 101 12.213 -20.656 10.355 1.00 41.55 C ATOM 1528 CG TYR A 101 13.264 -21.343 11.196 1.00 5.22 C ATOM 1529 CD1 TYR A 101 13.354 -21.106 12.562 1.00 14.52 C ATOM 1530 CD2 TYR A 101 14.168 -22.231 10.625 1.00 2.42 C ATOM 1531 CE1 TYR A 101 14.313 -21.731 13.335 1.00 41.33 C ATOM 1532 CE2 TYR A 101 15.130 -22.861 11.390 1.00 21.52 C ATOM 1533 CZ TYR A 101 15.199 -22.608 12.744 1.00 12.13 C ATOM 1534 OH TYR A 101 16.155 -23.234 13.511 1.00 41.24 O ATOM 0 H TYR A 101 14.379 -19.431 10.357 1.00 23.44 H new ATOM 0 HA TYR A 101 11.709 -18.719 9.570 1.00 62.05 H new ATOM 0 HB2 TYR A 101 11.226 -20.959 10.703 1.00 41.55 H new ATOM 0 HB3 TYR A 101 12.305 -20.996 9.324 1.00 41.55 H new ATOM 0 HD1 TYR A 101 12.662 -20.421 13.028 1.00 14.52 H new ATOM 0 HD2 TYR A 101 14.117 -22.432 9.565 1.00 2.42 H new ATOM 0 HE1 TYR A 101 14.369 -21.534 14.395 1.00 41.33 H new ATOM 0 HE2 TYR A 101 15.825 -23.548 10.930 1.00 21.52 H new ATOM 0 HH TYR A 101 15.739 -23.595 14.322 1.00 41.24 H new ATOM 1544 N LEU A 102 10.428 -18.668 11.849 1.00 45.30 N ATOM 1545 CA LEU A 102 9.768 -18.198 13.062 1.00 54.23 C ATOM 1546 C LEU A 102 8.883 -19.288 13.658 1.00 63.55 C ATOM 1547 O LEU A 102 7.888 -19.707 13.066 1.00 12.21 O ATOM 1548 CB LEU A 102 8.930 -16.954 12.760 1.00 12.03 C ATOM 1549 CG LEU A 102 7.829 -16.625 13.770 1.00 61.45 C ATOM 1550 CD1 LEU A 102 8.423 -16.001 15.022 1.00 11.44 C ATOM 1551 CD2 LEU A 102 6.795 -15.698 13.148 1.00 71.32 C ATOM 0 H LEU A 102 9.795 -19.043 11.142 1.00 45.30 H new ATOM 0 HA LEU A 102 10.538 -17.943 13.790 1.00 54.23 H new ATOM 0 HB2 LEU A 102 9.600 -16.097 12.691 1.00 12.03 H new ATOM 0 HB3 LEU A 102 8.470 -17.079 11.780 1.00 12.03 H new ATOM 0 HG LEU A 102 7.332 -17.553 14.053 1.00 61.45 H new ATOM 0 HD11 LEU A 102 7.625 -15.774 15.729 1.00 11.44 H new ATOM 0 HD12 LEU A 102 9.125 -16.699 15.479 1.00 11.44 H new ATOM 0 HD13 LEU A 102 8.946 -15.082 14.757 1.00 11.44 H new ATOM 0 HD21 LEU A 102 6.019 -15.474 13.880 1.00 71.32 H new ATOM 0 HD22 LEU A 102 7.278 -14.772 12.836 1.00 71.32 H new ATOM 0 HD23 LEU A 102 6.346 -16.183 12.281 1.00 71.32 H new ATOM 1563 N PRO A 103 9.252 -19.760 14.858 1.00 42.31 N ATOM 1564 CA PRO A 103 8.504 -20.806 15.562 1.00 42.24 C ATOM 1565 C PRO A 103 7.150 -20.314 16.062 1.00 43.33 C ATOM 1566 O PRO A 103 7.013 -19.166 16.484 1.00 14.42 O ATOM 1567 CB PRO A 103 9.414 -21.160 16.741 1.00 15.41 C ATOM 1568 CG PRO A 103 10.227 -19.933 16.973 1.00 21.43 C ATOM 1569 CD PRO A 103 10.427 -19.307 15.621 1.00 64.10 C ATOM 0 HA PRO A 103 8.276 -21.652 14.913 1.00 42.24 H new ATOM 0 HB2 PRO A 103 8.833 -21.423 17.625 1.00 15.41 H new ATOM 0 HB3 PRO A 103 10.047 -22.017 16.509 1.00 15.41 H new ATOM 0 HG2 PRO A 103 9.715 -19.248 17.648 1.00 21.43 H new ATOM 0 HG3 PRO A 103 11.183 -20.180 17.434 1.00 21.43 H new ATOM 0 HD2 PRO A 103 10.470 -18.220 15.684 1.00 64.10 H new ATOM 0 HD3 PRO A 103 11.358 -19.637 15.159 1.00 64.10 H new ATOM 1577 N LYS A 104 6.152 -21.190 16.012 1.00 44.44 N ATOM 1578 CA LYS A 104 4.809 -20.846 16.461 1.00 13.31 C ATOM 1579 C LYS A 104 4.453 -21.599 17.739 1.00 0.30 C ATOM 1580 O LYS A 104 4.941 -22.699 17.996 1.00 62.42 O ATOM 1581 CB LYS A 104 3.786 -21.164 15.368 1.00 50.41 C ATOM 1582 CG LYS A 104 3.688 -22.643 15.038 1.00 3.00 C ATOM 1583 CD LYS A 104 2.307 -23.193 15.349 1.00 75.52 C ATOM 1584 CE LYS A 104 2.122 -23.428 16.840 1.00 4.23 C ATOM 1585 NZ LYS A 104 1.025 -24.395 17.119 1.00 53.15 N ATOM 0 H LYS A 104 6.249 -22.144 15.665 1.00 44.44 H new ATOM 0 HA LYS A 104 4.786 -19.777 16.671 1.00 13.31 H new ATOM 0 HB2 LYS A 104 2.806 -20.805 15.684 1.00 50.41 H new ATOM 0 HB3 LYS A 104 4.050 -20.615 14.464 1.00 50.41 H new ATOM 0 HG2 LYS A 104 3.913 -22.797 13.983 1.00 3.00 H new ATOM 0 HG3 LYS A 104 4.437 -23.194 15.607 1.00 3.00 H new ATOM 0 HD2 LYS A 104 1.548 -22.496 14.993 1.00 75.52 H new ATOM 0 HD3 LYS A 104 2.158 -24.129 14.811 1.00 75.52 H new ATOM 0 HE2 LYS A 104 3.053 -23.802 17.266 1.00 4.23 H new ATOM 0 HE3 LYS A 104 1.904 -22.480 17.332 1.00 4.23 H new ATOM 0 HZ1 LYS A 104 0.932 -24.527 18.146 1.00 53.15 H new ATOM 0 HZ2 LYS A 104 0.132 -24.027 16.735 1.00 53.15 H new ATOM 0 HZ3 LYS A 104 1.244 -25.308 16.671 1.00 53.15 H new ATOM 1599 N PRO A 105 3.581 -20.994 18.560 1.00 64.30 N ATOM 1600 CA PRO A 105 2.994 -19.684 18.265 1.00 2.21 C ATOM 1601 C PRO A 105 4.016 -18.556 18.360 1.00 21.14 C ATOM 1602 O PRO A 105 5.142 -18.762 18.815 1.00 53.51 O ATOM 1603 CB PRO A 105 1.921 -19.525 19.345 1.00 74.24 C ATOM 1604 CG PRO A 105 2.387 -20.381 20.471 1.00 34.41 C ATOM 1605 CD PRO A 105 3.102 -21.543 19.840 1.00 62.34 C ATOM 0 HA PRO A 105 2.606 -19.631 17.248 1.00 2.21 H new ATOM 0 HB2 PRO A 105 1.821 -18.484 19.654 1.00 74.24 H new ATOM 0 HB3 PRO A 105 0.944 -19.845 18.983 1.00 74.24 H new ATOM 0 HG2 PRO A 105 3.052 -19.827 21.133 1.00 34.41 H new ATOM 0 HG3 PRO A 105 1.547 -20.722 21.076 1.00 34.41 H new ATOM 0 HD2 PRO A 105 3.927 -21.893 20.461 1.00 62.34 H new ATOM 0 HD3 PRO A 105 2.435 -22.391 19.689 1.00 62.34 H new ATOM 1613 N PHE A 106 3.617 -17.364 17.929 1.00 32.14 N ATOM 1614 CA PHE A 106 4.499 -16.203 17.966 1.00 74.22 C ATOM 1615 C PHE A 106 3.695 -14.914 18.104 1.00 53.44 C ATOM 1616 O PHE A 106 2.465 -14.938 18.153 1.00 72.54 O ATOM 1617 CB PHE A 106 5.358 -16.149 16.701 1.00 71.11 C ATOM 1618 CG PHE A 106 4.557 -16.172 15.431 1.00 52.54 C ATOM 1619 CD1 PHE A 106 3.869 -15.045 15.010 1.00 40.23 C ATOM 1620 CD2 PHE A 106 4.491 -17.320 14.658 1.00 41.44 C ATOM 1621 CE1 PHE A 106 3.131 -15.062 13.841 1.00 42.10 C ATOM 1622 CE2 PHE A 106 3.755 -17.343 13.488 1.00 44.41 C ATOM 1623 CZ PHE A 106 3.074 -16.213 13.080 1.00 55.23 C ATOM 0 H PHE A 106 2.689 -17.177 17.550 1.00 32.14 H new ATOM 0 HA PHE A 106 5.150 -16.299 18.835 1.00 74.22 H new ATOM 0 HB2 PHE A 106 5.965 -15.244 16.722 1.00 71.11 H new ATOM 0 HB3 PHE A 106 6.046 -16.994 16.702 1.00 71.11 H new ATOM 0 HD1 PHE A 106 3.910 -14.143 15.602 1.00 40.23 H new ATOM 0 HD2 PHE A 106 5.021 -18.207 14.973 1.00 41.44 H new ATOM 0 HE1 PHE A 106 2.600 -14.177 13.524 1.00 42.10 H new ATOM 0 HE2 PHE A 106 3.713 -18.244 12.894 1.00 44.41 H new ATOM 0 HZ PHE A 106 2.498 -16.229 12.167 1.00 55.23 H new ATOM 1633 N ASP A 107 4.399 -13.789 18.166 1.00 14.23 N ATOM 1634 CA ASP A 107 3.752 -12.488 18.298 1.00 32.41 C ATOM 1635 C ASP A 107 3.609 -11.812 16.938 1.00 34.41 C ATOM 1636 O ASP A 107 4.602 -11.461 16.301 1.00 22.30 O ATOM 1637 CB ASP A 107 4.550 -11.592 19.246 1.00 51.32 C ATOM 1638 CG ASP A 107 4.837 -12.264 20.574 1.00 0.41 C ATOM 1639 OD1 ASP A 107 3.889 -12.437 21.369 1.00 2.40 O ATOM 1640 OD2 ASP A 107 6.009 -12.617 20.818 1.00 23.35 O ATOM 0 H ASP A 107 5.418 -13.751 18.127 1.00 14.23 H new ATOM 0 HA ASP A 107 2.756 -12.645 18.712 1.00 32.41 H new ATOM 0 HB2 ASP A 107 5.491 -11.314 18.772 1.00 51.32 H new ATOM 0 HB3 ASP A 107 3.997 -10.669 19.421 1.00 51.32 H new ATOM 1645 N ILE A 108 2.367 -11.634 16.499 1.00 22.24 N ATOM 1646 CA ILE A 108 2.095 -11.001 15.215 1.00 12.53 C ATOM 1647 C ILE A 108 2.910 -9.723 15.049 1.00 1.30 C ATOM 1648 O ILE A 108 3.309 -9.368 13.939 1.00 34.43 O ATOM 1649 CB ILE A 108 0.600 -10.666 15.059 1.00 74.15 C ATOM 1650 CG1 ILE A 108 -0.194 -11.928 14.712 1.00 1.33 C ATOM 1651 CG2 ILE A 108 0.404 -9.601 13.990 1.00 63.12 C ATOM 1652 CD1 ILE A 108 -1.629 -11.889 15.190 1.00 24.32 C ATOM 0 H ILE A 108 1.534 -11.919 17.014 1.00 22.24 H new ATOM 0 HA ILE A 108 2.382 -11.715 14.443 1.00 12.53 H new ATOM 0 HB ILE A 108 0.230 -10.275 16.007 1.00 74.15 H new ATOM 0 HG12 ILE A 108 -0.183 -12.069 13.631 1.00 1.33 H new ATOM 0 HG13 ILE A 108 0.303 -12.793 15.151 1.00 1.33 H new ATOM 0 HG21 ILE A 108 -0.658 -9.375 13.892 1.00 63.12 H new ATOM 0 HG22 ILE A 108 0.942 -8.697 14.274 1.00 63.12 H new ATOM 0 HG23 ILE A 108 0.787 -9.967 13.037 1.00 63.12 H new ATOM 0 HD11 ILE A 108 -2.131 -12.815 14.910 1.00 24.32 H new ATOM 0 HD12 ILE A 108 -1.648 -11.780 16.274 1.00 24.32 H new ATOM 0 HD13 ILE A 108 -2.143 -11.044 14.731 1.00 24.32 H new ATOM 1664 N ASP A 109 3.156 -9.036 16.159 1.00 10.21 N ATOM 1665 CA ASP A 109 3.927 -7.798 16.137 1.00 31.15 C ATOM 1666 C ASP A 109 5.311 -8.030 15.538 1.00 34.24 C ATOM 1667 O ASP A 109 5.801 -7.219 14.753 1.00 33.52 O ATOM 1668 CB ASP A 109 4.058 -7.229 17.551 1.00 25.42 C ATOM 1669 CG ASP A 109 4.959 -6.011 17.604 1.00 40.14 C ATOM 1670 OD1 ASP A 109 4.622 -4.995 16.959 1.00 31.33 O ATOM 1671 OD2 ASP A 109 6.001 -6.073 18.289 1.00 15.55 O ATOM 0 H ASP A 109 2.833 -9.315 17.085 1.00 10.21 H new ATOM 0 HA ASP A 109 3.397 -7.079 15.512 1.00 31.15 H new ATOM 0 HB2 ASP A 109 3.070 -6.963 17.925 1.00 25.42 H new ATOM 0 HB3 ASP A 109 4.453 -7.999 18.214 1.00 25.42 H new ATOM 1676 N GLU A 110 5.935 -9.142 15.916 1.00 54.31 N ATOM 1677 CA GLU A 110 7.263 -9.478 15.417 1.00 74.42 C ATOM 1678 C GLU A 110 7.182 -10.076 14.015 1.00 33.10 C ATOM 1679 O GLU A 110 8.099 -9.922 13.209 1.00 21.34 O ATOM 1680 CB GLU A 110 7.953 -10.462 16.363 1.00 22.35 C ATOM 1681 CG GLU A 110 9.468 -10.463 16.241 1.00 32.52 C ATOM 1682 CD GLU A 110 10.132 -9.498 17.203 1.00 15.54 C ATOM 1683 OE1 GLU A 110 10.381 -9.891 18.362 1.00 52.40 O ATOM 1684 OE2 GLU A 110 10.402 -8.348 16.797 1.00 51.03 O ATOM 0 H GLU A 110 5.543 -9.824 16.565 1.00 54.31 H new ATOM 0 HA GLU A 110 7.848 -8.560 15.369 1.00 74.42 H new ATOM 0 HB2 GLU A 110 7.680 -10.218 17.390 1.00 22.35 H new ATOM 0 HB3 GLU A 110 7.580 -11.467 16.164 1.00 22.35 H new ATOM 0 HG2 GLU A 110 9.843 -11.470 16.426 1.00 32.52 H new ATOM 0 HG3 GLU A 110 9.747 -10.202 15.220 1.00 32.52 H new ATOM 1691 N ALA A 111 6.077 -10.759 13.732 1.00 1.22 N ATOM 1692 CA ALA A 111 5.875 -11.378 12.428 1.00 31.55 C ATOM 1693 C ALA A 111 5.742 -10.325 11.334 1.00 2.43 C ATOM 1694 O ALA A 111 6.482 -10.341 10.350 1.00 15.41 O ATOM 1695 CB ALA A 111 4.644 -12.273 12.454 1.00 3.15 C ATOM 0 H ALA A 111 5.309 -10.897 14.388 1.00 1.22 H new ATOM 0 HA ALA A 111 6.750 -11.988 12.204 1.00 31.55 H new ATOM 0 HB1 ALA A 111 4.505 -12.729 11.474 1.00 3.15 H new ATOM 0 HB2 ALA A 111 4.778 -13.054 13.202 1.00 3.15 H new ATOM 0 HB3 ALA A 111 3.766 -11.677 12.705 1.00 3.15 H new ATOM 1701 N VAL A 112 4.795 -9.409 11.512 1.00 33.43 N ATOM 1702 CA VAL A 112 4.565 -8.347 10.540 1.00 24.40 C ATOM 1703 C VAL A 112 5.860 -7.611 10.214 1.00 22.45 C ATOM 1704 O VAL A 112 6.053 -7.140 9.094 1.00 25.42 O ATOM 1705 CB VAL A 112 3.526 -7.333 11.052 1.00 53.31 C ATOM 1706 CG1 VAL A 112 3.579 -6.053 10.231 1.00 74.52 C ATOM 1707 CG2 VAL A 112 2.131 -7.939 11.021 1.00 13.52 C ATOM 0 H VAL A 112 4.174 -9.381 12.321 1.00 33.43 H new ATOM 0 HA VAL A 112 4.183 -8.822 9.636 1.00 24.40 H new ATOM 0 HB VAL A 112 3.766 -7.083 12.085 1.00 53.31 H new ATOM 0 HG11 VAL A 112 2.838 -5.348 10.608 1.00 74.52 H new ATOM 0 HG12 VAL A 112 4.572 -5.611 10.310 1.00 74.52 H new ATOM 0 HG13 VAL A 112 3.365 -6.281 9.187 1.00 74.52 H new ATOM 0 HG21 VAL A 112 1.409 -7.209 11.386 1.00 13.52 H new ATOM 0 HG22 VAL A 112 1.879 -8.219 9.998 1.00 13.52 H new ATOM 0 HG23 VAL A 112 2.105 -8.824 11.656 1.00 13.52 H new ATOM 1717 N ALA A 113 6.745 -7.517 11.202 1.00 52.33 N ATOM 1718 CA ALA A 113 8.023 -6.840 11.020 1.00 61.32 C ATOM 1719 C ALA A 113 9.059 -7.779 10.411 1.00 23.03 C ATOM 1720 O ALA A 113 9.964 -7.343 9.698 1.00 71.22 O ATOM 1721 CB ALA A 113 8.522 -6.289 12.347 1.00 23.33 C ATOM 0 H ALA A 113 6.600 -7.901 12.136 1.00 52.33 H new ATOM 0 HA ALA A 113 7.872 -6.011 10.329 1.00 61.32 H new ATOM 0 HB1 ALA A 113 9.477 -5.786 12.196 1.00 23.33 H new ATOM 0 HB2 ALA A 113 7.796 -5.578 12.742 1.00 23.33 H new ATOM 0 HB3 ALA A 113 8.651 -7.107 13.055 1.00 23.33 H new ATOM 1727 N LEU A 114 8.922 -9.069 10.698 1.00 45.03 N ATOM 1728 CA LEU A 114 9.848 -10.070 10.179 1.00 71.22 C ATOM 1729 C LEU A 114 9.749 -10.168 8.660 1.00 74.12 C ATOM 1730 O LEU A 114 10.758 -10.308 7.969 1.00 72.41 O ATOM 1731 CB LEU A 114 9.560 -11.434 10.809 1.00 25.10 C ATOM 1732 CG LEU A 114 10.457 -12.586 10.354 1.00 72.24 C ATOM 1733 CD1 LEU A 114 11.827 -12.487 11.006 1.00 13.04 C ATOM 1734 CD2 LEU A 114 9.808 -13.925 10.673 1.00 73.14 C ATOM 0 H LEU A 114 8.179 -9.446 11.287 1.00 45.03 H new ATOM 0 HA LEU A 114 10.861 -9.762 10.439 1.00 71.22 H new ATOM 0 HB2 LEU A 114 9.647 -11.338 11.891 1.00 25.10 H new ATOM 0 HB3 LEU A 114 8.525 -11.700 10.595 1.00 25.10 H new ATOM 0 HG LEU A 114 10.586 -12.515 9.274 1.00 72.24 H new ATOM 0 HD11 LEU A 114 12.451 -13.315 10.670 1.00 13.04 H new ATOM 0 HD12 LEU A 114 12.296 -11.543 10.727 1.00 13.04 H new ATOM 0 HD13 LEU A 114 11.718 -12.531 12.090 1.00 13.04 H new ATOM 0 HD21 LEU A 114 10.460 -14.733 10.342 1.00 73.14 H new ATOM 0 HD22 LEU A 114 9.648 -14.005 11.748 1.00 73.14 H new ATOM 0 HD23 LEU A 114 8.850 -13.997 10.157 1.00 73.14 H new ATOM 1746 N VAL A 115 8.525 -10.091 8.146 1.00 62.13 N ATOM 1747 CA VAL A 115 8.294 -10.168 6.708 1.00 12.42 C ATOM 1748 C VAL A 115 8.843 -8.936 5.997 1.00 62.22 C ATOM 1749 O VAL A 115 9.375 -9.032 4.891 1.00 33.02 O ATOM 1750 CB VAL A 115 6.794 -10.306 6.388 1.00 54.53 C ATOM 1751 CG1 VAL A 115 6.004 -9.178 7.034 1.00 54.45 C ATOM 1752 CG2 VAL A 115 6.571 -10.330 4.883 1.00 32.10 C ATOM 0 H VAL A 115 7.679 -9.975 8.704 1.00 62.13 H new ATOM 0 HA VAL A 115 8.818 -11.054 6.350 1.00 12.42 H new ATOM 0 HB VAL A 115 6.437 -11.250 6.801 1.00 54.53 H new ATOM 0 HG11 VAL A 115 4.946 -9.292 6.797 1.00 54.45 H new ATOM 0 HG12 VAL A 115 6.139 -9.212 8.115 1.00 54.45 H new ATOM 0 HG13 VAL A 115 6.360 -8.220 6.654 1.00 54.45 H new ATOM 0 HG21 VAL A 115 5.506 -10.428 4.675 1.00 32.10 H new ATOM 0 HG22 VAL A 115 6.943 -9.404 4.445 1.00 32.10 H new ATOM 0 HG23 VAL A 115 7.105 -11.176 4.450 1.00 32.10 H new ATOM 1762 N GLU A 116 8.711 -7.780 6.640 1.00 62.04 N ATOM 1763 CA GLU A 116 9.195 -6.529 6.067 1.00 33.12 C ATOM 1764 C GLU A 116 10.713 -6.551 5.916 1.00 71.04 C ATOM 1765 O GLU A 116 11.268 -5.910 5.023 1.00 55.21 O ATOM 1766 CB GLU A 116 8.776 -5.346 6.943 1.00 74.32 C ATOM 1767 CG GLU A 116 7.274 -5.116 6.977 1.00 20.54 C ATOM 1768 CD GLU A 116 6.838 -4.285 8.169 1.00 64.35 C ATOM 1769 OE1 GLU A 116 7.699 -3.604 8.764 1.00 52.44 O ATOM 1770 OE2 GLU A 116 5.636 -4.317 8.505 1.00 0.31 O ATOM 0 H GLU A 116 8.274 -7.684 7.556 1.00 62.04 H new ATOM 0 HA GLU A 116 8.751 -6.416 5.078 1.00 33.12 H new ATOM 0 HB2 GLU A 116 9.133 -5.513 7.959 1.00 74.32 H new ATOM 0 HB3 GLU A 116 9.265 -4.443 6.578 1.00 74.32 H new ATOM 0 HG2 GLU A 116 6.966 -4.617 6.058 1.00 20.54 H new ATOM 0 HG3 GLU A 116 6.763 -6.079 7.003 1.00 20.54 H new ATOM 1777 N ARG A 117 11.379 -7.293 6.795 1.00 52.14 N ATOM 1778 CA ARG A 117 12.833 -7.397 6.760 1.00 35.43 C ATOM 1779 C ARG A 117 13.302 -8.023 5.450 1.00 31.32 C ATOM 1780 O ARG A 117 14.373 -7.693 4.942 1.00 71.50 O ATOM 1781 CB ARG A 117 13.333 -8.228 7.943 1.00 24.21 C ATOM 1782 CG ARG A 117 14.641 -8.952 7.668 1.00 22.44 C ATOM 1783 CD ARG A 117 15.361 -9.312 8.959 1.00 53.01 C ATOM 1784 NE ARG A 117 14.430 -9.713 10.011 1.00 43.12 N ATOM 1785 CZ ARG A 117 14.728 -9.686 11.305 1.00 24.00 C ATOM 1786 NH1 ARG A 117 15.925 -9.279 11.705 1.00 42.13 N ATOM 1787 NH2 ARG A 117 13.828 -10.066 12.202 1.00 21.45 N ATOM 0 H ARG A 117 10.935 -7.831 7.540 1.00 52.14 H new ATOM 0 HA ARG A 117 13.247 -6.391 6.830 1.00 35.43 H new ATOM 0 HB2 ARG A 117 13.463 -7.575 8.806 1.00 24.21 H new ATOM 0 HB3 ARG A 117 12.571 -8.960 8.210 1.00 24.21 H new ATOM 0 HG2 ARG A 117 14.443 -9.858 7.096 1.00 22.44 H new ATOM 0 HG3 ARG A 117 15.285 -8.322 7.055 1.00 22.44 H new ATOM 0 HD2 ARG A 117 16.064 -10.123 8.768 1.00 53.01 H new ATOM 0 HD3 ARG A 117 15.946 -8.457 9.299 1.00 53.01 H new ATOM 0 HE ARG A 117 13.500 -10.031 9.737 1.00 43.12 H new ATOM 0 HH11 ARG A 117 16.620 -8.986 11.018 1.00 42.13 H new ATOM 0 HH12 ARG A 117 16.151 -9.259 12.699 1.00 42.13 H new ATOM 0 HH21 ARG A 117 12.906 -10.379 11.898 1.00 21.45 H new ATOM 0 HH22 ARG A 117 14.058 -10.045 13.196 1.00 21.45 H new ATOM 1801 N ALA A 118 12.493 -8.928 4.910 1.00 73.44 N ATOM 1802 CA ALA A 118 12.824 -9.599 3.659 1.00 61.23 C ATOM 1803 C ALA A 118 12.407 -8.758 2.457 1.00 14.03 C ATOM 1804 O ALA A 118 13.177 -8.582 1.513 1.00 5.33 O ATOM 1805 CB ALA A 118 12.162 -10.968 3.602 1.00 25.15 C ATOM 0 H ALA A 118 11.603 -9.214 5.319 1.00 73.44 H new ATOM 0 HA ALA A 118 13.906 -9.729 3.621 1.00 61.23 H new ATOM 0 HB1 ALA A 118 12.418 -11.457 2.662 1.00 25.15 H new ATOM 0 HB2 ALA A 118 12.513 -11.577 4.435 1.00 25.15 H new ATOM 0 HB3 ALA A 118 11.080 -10.852 3.668 1.00 25.15 H new ATOM 1811 N ILE A 119 11.183 -8.242 2.499 1.00 50.11 N ATOM 1812 CA ILE A 119 10.664 -7.419 1.413 1.00 2.03 C ATOM 1813 C ILE A 119 11.487 -6.146 1.247 1.00 41.01 C ATOM 1814 O ILE A 119 11.956 -5.837 0.152 1.00 42.53 O ATOM 1815 CB ILE A 119 9.191 -7.037 1.651 1.00 61.33 C ATOM 1816 CG1 ILE A 119 8.349 -8.292 1.893 1.00 3.33 C ATOM 1817 CG2 ILE A 119 8.650 -6.251 0.466 1.00 3.30 C ATOM 1818 CD1 ILE A 119 6.938 -7.993 2.348 1.00 32.51 C ATOM 0 H ILE A 119 10.533 -8.379 3.273 1.00 50.11 H new ATOM 0 HA ILE A 119 10.734 -8.016 0.503 1.00 2.03 H new ATOM 0 HB ILE A 119 9.133 -6.406 2.538 1.00 61.33 H new ATOM 0 HG12 ILE A 119 8.310 -8.876 0.974 1.00 3.33 H new ATOM 0 HG13 ILE A 119 8.841 -8.911 2.643 1.00 3.33 H new ATOM 0 HG21 ILE A 119 7.608 -5.988 0.649 1.00 3.30 H new ATOM 0 HG22 ILE A 119 9.236 -5.341 0.335 1.00 3.30 H new ATOM 0 HG23 ILE A 119 8.718 -6.860 -0.436 1.00 3.30 H new ATOM 0 HD11 ILE A 119 6.399 -8.928 2.500 1.00 32.51 H new ATOM 0 HD12 ILE A 119 6.968 -7.435 3.284 1.00 32.51 H new ATOM 0 HD13 ILE A 119 6.429 -7.400 1.588 1.00 32.51 H new ATOM 1830 N SER A 120 11.660 -5.412 2.342 1.00 73.14 N ATOM 1831 CA SER A 120 12.425 -4.171 2.317 1.00 12.01 C ATOM 1832 C SER A 120 13.855 -4.423 1.849 1.00 73.41 C ATOM 1833 O SER A 120 14.527 -3.518 1.354 1.00 23.21 O ATOM 1834 CB SER A 120 12.437 -3.527 3.705 1.00 54.13 C ATOM 1835 OG SER A 120 11.119 -3.351 4.197 1.00 43.04 O ATOM 0 H SER A 120 11.281 -5.655 3.257 1.00 73.14 H new ATOM 0 HA SER A 120 11.945 -3.492 1.612 1.00 12.01 H new ATOM 0 HB2 SER A 120 13.005 -4.151 4.394 1.00 54.13 H new ATOM 0 HB3 SER A 120 12.943 -2.563 3.658 1.00 54.13 H new ATOM 0 HG SER A 120 10.811 -4.183 4.613 1.00 43.04 H new ATOM 1841 N HIS A 121 14.313 -5.661 2.009 1.00 4.20 N ATOM 1842 CA HIS A 121 15.664 -6.034 1.603 1.00 74.24 C ATOM 1843 C HIS A 121 15.847 -5.858 0.098 1.00 15.43 C ATOM 1844 O HIS A 121 16.972 -5.806 -0.398 1.00 70.14 O ATOM 1845 CB HIS A 121 15.956 -7.482 1.997 1.00 34.22 C ATOM 1846 CG HIS A 121 17.410 -7.836 1.945 1.00 40.42 C ATOM 1847 ND1 HIS A 121 18.040 -8.260 0.794 1.00 5.02 N ATOM 1848 CD2 HIS A 121 18.359 -7.824 2.910 1.00 62.23 C ATOM 1849 CE1 HIS A 121 19.314 -8.496 1.054 1.00 20.00 C ATOM 1850 NE2 HIS A 121 19.533 -8.239 2.331 1.00 44.21 N ATOM 0 H HIS A 121 13.769 -6.422 2.416 1.00 4.20 H new ATOM 0 HA HIS A 121 16.366 -5.377 2.117 1.00 74.24 H new ATOM 0 HB2 HIS A 121 15.584 -7.657 3.006 1.00 34.22 H new ATOM 0 HB3 HIS A 121 15.404 -8.148 1.334 1.00 34.22 H new ATOM 0 HD2 HIS A 121 18.219 -7.541 3.943 1.00 62.23 H new ATOM 0 HE1 HIS A 121 20.051 -8.840 0.343 1.00 20.00 H new ATOM 0 HE2 HIS A 121 20.429 -8.333 2.809 1.00 44.21 H new ATOM 1858 N TYR A 122 14.734 -5.766 -0.621 1.00 73.23 N ATOM 1859 CA TYR A 122 14.771 -5.599 -2.069 1.00 44.22 C ATOM 1860 C TYR A 122 14.161 -4.262 -2.479 1.00 75.21 C ATOM 1861 O TYR A 122 13.706 -4.097 -3.611 1.00 33.04 O ATOM 1862 CB TYR A 122 14.026 -6.745 -2.756 1.00 2.33 C ATOM 1863 CG TYR A 122 14.290 -8.097 -2.133 1.00 74.22 C ATOM 1864 CD1 TYR A 122 15.561 -8.656 -2.150 1.00 63.35 C ATOM 1865 CD2 TYR A 122 13.266 -8.816 -1.527 1.00 4.53 C ATOM 1866 CE1 TYR A 122 15.806 -9.892 -1.584 1.00 1.04 C ATOM 1867 CE2 TYR A 122 13.502 -10.051 -0.956 1.00 23.31 C ATOM 1868 CZ TYR A 122 14.774 -10.585 -0.987 1.00 74.54 C ATOM 1869 OH TYR A 122 15.014 -11.816 -0.420 1.00 73.13 O ATOM 0 H TYR A 122 13.795 -5.804 -0.225 1.00 73.23 H new ATOM 0 HA TYR A 122 15.814 -5.613 -2.384 1.00 44.22 H new ATOM 0 HB2 TYR A 122 12.955 -6.542 -2.724 1.00 2.33 H new ATOM 0 HB3 TYR A 122 14.313 -6.776 -3.807 1.00 2.33 H new ATOM 0 HD1 TYR A 122 16.372 -8.115 -2.614 1.00 63.35 H new ATOM 0 HD2 TYR A 122 12.269 -8.402 -1.502 1.00 4.53 H new ATOM 0 HE1 TYR A 122 16.800 -10.313 -1.609 1.00 1.04 H new ATOM 0 HE2 TYR A 122 12.696 -10.596 -0.488 1.00 23.31 H new ATOM 0 HH TYR A 122 14.647 -11.835 0.489 1.00 73.13 H new ATOM 1879 N GLN A 123 14.155 -3.312 -1.550 1.00 43.31 N ATOM 1880 CA GLN A 123 13.601 -1.989 -1.814 1.00 73.30 C ATOM 1881 C GLN A 123 14.257 -0.937 -0.927 1.00 2.31 C ATOM 1882 O GLN A 123 14.989 -0.073 -1.410 1.00 75.34 O ATOM 1883 CB GLN A 123 12.088 -1.993 -1.587 1.00 50.13 C ATOM 1884 CG GLN A 123 11.317 -2.777 -2.637 1.00 43.12 C ATOM 1885 CD GLN A 123 9.820 -2.750 -2.403 1.00 53.21 C ATOM 1886 OE1 GLN A 123 9.298 -1.844 -1.752 1.00 72.21 O ATOM 1887 NE2 GLN A 123 9.119 -3.745 -2.934 1.00 42.13 N ATOM 0 H GLN A 123 14.527 -3.433 -0.608 1.00 43.31 H new ATOM 0 HA GLN A 123 13.805 -1.738 -2.855 1.00 73.30 H new ATOM 0 HB2 GLN A 123 11.878 -2.414 -0.604 1.00 50.13 H new ATOM 0 HB3 GLN A 123 11.728 -0.964 -1.577 1.00 50.13 H new ATOM 0 HG2 GLN A 123 11.534 -2.367 -3.623 1.00 43.12 H new ATOM 0 HG3 GLN A 123 11.662 -3.811 -2.639 1.00 43.12 H new ATOM 0 HE21 GLN A 123 9.592 -4.475 -3.466 1.00 42.13 H new ATOM 0 HE22 GLN A 123 8.107 -3.779 -2.810 1.00 42.13 H new ATOM 1896 N GLU A 124 13.990 -1.015 0.373 1.00 23.30 N ATOM 1897 CA GLU A 124 14.555 -0.068 1.327 1.00 51.32 C ATOM 1898 C GLU A 124 14.068 1.349 1.039 1.00 52.50 C ATOM 1899 O GLU A 124 13.845 2.138 1.957 1.00 20.10 O ATOM 1900 CB GLU A 124 16.084 -0.113 1.280 1.00 53.30 C ATOM 1901 CG GLU A 124 16.711 -0.759 2.503 1.00 23.43 C ATOM 1902 CD GLU A 124 17.899 -1.635 2.155 1.00 23.24 C ATOM 1903 OE1 GLU A 124 17.683 -2.741 1.617 1.00 34.33 O ATOM 1904 OE2 GLU A 124 19.045 -1.215 2.421 1.00 33.31 O ATOM 0 H GLU A 124 13.386 -1.724 0.789 1.00 23.30 H new ATOM 0 HA GLU A 124 14.221 -0.353 2.325 1.00 51.32 H new ATOM 0 HB2 GLU A 124 16.396 -0.660 0.390 1.00 53.30 H new ATOM 0 HB3 GLU A 124 16.466 0.903 1.180 1.00 53.30 H new ATOM 0 HG2 GLU A 124 17.029 0.019 3.198 1.00 23.43 H new ATOM 0 HG3 GLU A 124 15.960 -1.359 3.018 1.00 23.43 H new TER 1911 GLU A 124