USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 721 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.271! (180deg=-0.923!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.17) USER MOD Single : A 17 MET CE :methyl -146:sc= -0.194 (180deg=-1.38!) USER MOD Single : A 18 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-5.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -126:sc= -4.41! (180deg=-10.6!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -160:sc= -1.14 USER MOD Single : A 36 LYS NZ :NH3+ -148:sc= 0.52 (180deg=-0.138!) USER MOD Single : A 38 MET CE :methyl -145:sc= -6.35! (180deg=-10.6!) USER MOD Single : A 43 TYR OH : rot 105:sc= -0.349 USER MOD Single : A 50 GLN : amide:sc= 1.63 K(o=1.6,f=-10!) USER MOD Single : A 51 GLN : amide:sc= -1.33 K(o=-1.3,f=-5.6!) USER MOD Single : A 56 GLN :FLIP amide:sc= -2.4 F(o=-4!,f=-2.4) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0734 USER MOD Single : A 66 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-4!) USER MOD Single : A 67 SER OG : rot 94:sc= -1.41! USER MOD Single : A 68 HIS : no HD1:sc= -6.51! C(o=-6.5!,f=-20!) USER MOD Single : A 72 GLN : amide:sc= -3.3! C(o=-3.3!,f=-7.5!) USER MOD Single : A 73 ASN : amide:sc= 0.0431 K(o=0.043,f=-6.8!) USER MOD Single : A 76 SER OG : rot -59:sc= 1.1 USER MOD Single : A 78 TYR OH : rot 7:sc= 0.978 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.177 USER MOD Single : A 86 ASN : amide:sc= -0.561 K(o=-0.56,f=-5.2!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.041 USER MOD Single : A 88 SER OG : rot 180:sc= 0.00215 USER MOD Single : A 90 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.930 1.043 2.852 1.00 3.24 N ATOM 2 CA MET A 1 7.116 0.674 2.039 1.00 12.54 C ATOM 3 C MET A 1 6.707 0.662 0.568 1.00 41.00 C ATOM 4 O MET A 1 5.590 0.263 0.240 1.00 41.40 O ATOM 5 CB MET A 1 7.613 -0.721 2.452 1.00 64.21 C ATOM 6 CG MET A 1 8.284 -0.657 3.835 1.00 31.12 C ATOM 7 SD MET A 1 7.166 0.128 5.027 1.00 74.30 S ATOM 8 CE MET A 1 6.317 -1.374 5.580 1.00 21.22 C ATOM 0 H1 MET A 1 6.167 0.974 3.862 1.00 3.24 H new ATOM 0 H2 MET A 1 5.646 2.018 2.629 1.00 3.24 H new ATOM 0 H3 MET A 1 5.145 0.396 2.635 1.00 3.24 H new ATOM 0 HA MET A 1 7.919 1.394 2.198 1.00 12.54 H new ATOM 0 HB2 MET A 1 6.777 -1.420 2.477 1.00 64.21 H new ATOM 0 HB3 MET A 1 8.321 -1.097 1.713 1.00 64.21 H new ATOM 0 HG2 MET A 1 8.541 -1.662 4.171 1.00 31.12 H new ATOM 0 HG3 MET A 1 9.215 -0.094 3.771 1.00 31.12 H new ATOM 0 HE1 MET A 1 5.571 -1.115 6.331 1.00 21.22 H new ATOM 0 HE2 MET A 1 5.827 -1.849 4.730 1.00 21.22 H new ATOM 0 HE3 MET A 1 7.042 -2.064 6.012 1.00 21.22 H new ATOM 20 N PRO A 2 7.574 1.101 -0.323 1.00 54.43 N ATOM 21 CA PRO A 2 7.266 1.153 -1.794 1.00 61.14 C ATOM 22 C PRO A 2 6.831 -0.210 -2.308 1.00 54.42 C ATOM 23 O PRO A 2 5.836 -0.339 -3.030 1.00 70.24 O ATOM 24 CB PRO A 2 8.613 1.543 -2.416 1.00 31.13 C ATOM 25 CG PRO A 2 9.331 2.279 -1.332 1.00 35.04 C ATOM 26 CD PRO A 2 8.935 1.592 -0.032 1.00 21.25 C ATOM 0 HA PRO A 2 6.455 1.842 -2.033 1.00 61.14 H new ATOM 0 HB2 PRO A 2 9.172 0.663 -2.735 1.00 31.13 H new ATOM 0 HB3 PRO A 2 8.476 2.170 -3.297 1.00 31.13 H new ATOM 0 HG2 PRO A 2 10.410 2.241 -1.482 1.00 35.04 H new ATOM 0 HG3 PRO A 2 9.048 3.332 -1.320 1.00 35.04 H new ATOM 0 HD2 PRO A 2 9.614 0.777 0.218 1.00 21.25 H new ATOM 0 HD3 PRO A 2 8.944 2.284 0.810 1.00 21.25 H new ATOM 34 N THR A 3 7.522 -1.224 -1.850 1.00 60.23 N ATOM 35 CA THR A 3 7.205 -2.588 -2.187 1.00 34.02 C ATOM 36 C THR A 3 7.048 -3.390 -0.911 1.00 24.54 C ATOM 37 O THR A 3 7.498 -2.953 0.155 1.00 23.13 O ATOM 38 CB THR A 3 8.313 -3.173 -3.073 1.00 41.34 C ATOM 39 OG1 THR A 3 9.589 -2.718 -2.613 1.00 64.32 O ATOM 40 CG2 THR A 3 8.106 -2.705 -4.515 1.00 33.11 C ATOM 0 H THR A 3 8.325 -1.125 -1.229 1.00 60.23 H new ATOM 0 HA THR A 3 6.269 -2.629 -2.744 1.00 34.02 H new ATOM 0 HB THR A 3 8.276 -4.261 -3.026 1.00 41.34 H new ATOM 0 HG1 THR A 3 10.294 -3.095 -3.180 1.00 64.32 H new ATOM 0 HG21 THR A 3 8.891 -3.118 -5.148 1.00 33.11 H new ATOM 0 HG22 THR A 3 7.134 -3.046 -4.872 1.00 33.11 H new ATOM 0 HG23 THR A 3 8.145 -1.616 -4.553 1.00 33.11 H new ATOM 48 N GLN A 4 6.354 -4.511 -0.986 1.00 24.52 N ATOM 49 CA GLN A 4 6.122 -5.306 0.203 1.00 33.21 C ATOM 50 C GLN A 4 7.277 -6.259 0.413 1.00 75.12 C ATOM 51 O GLN A 4 7.682 -6.970 -0.512 1.00 45.13 O ATOM 52 CB GLN A 4 4.814 -6.094 0.092 1.00 50.20 C ATOM 53 CG GLN A 4 3.654 -5.144 -0.241 1.00 63.15 C ATOM 54 CD GLN A 4 3.495 -4.098 0.852 1.00 61.42 C ATOM 55 OE1 GLN A 4 3.208 -4.431 2.001 1.00 73.13 O ATOM 56 NE2 GLN A 4 3.675 -2.849 0.564 1.00 13.31 N ATOM 0 H GLN A 4 5.948 -4.886 -1.843 1.00 24.52 H new ATOM 0 HA GLN A 4 6.043 -4.632 1.056 1.00 33.21 H new ATOM 0 HB2 GLN A 4 4.904 -6.856 -0.682 1.00 50.20 H new ATOM 0 HB3 GLN A 4 4.612 -6.613 1.029 1.00 50.20 H new ATOM 0 HG2 GLN A 4 3.839 -4.655 -1.197 1.00 63.15 H new ATOM 0 HG3 GLN A 4 2.730 -5.712 -0.347 1.00 63.15 H new ATOM 0 HE21 GLN A 4 3.913 -2.575 -0.389 1.00 13.31 H new ATOM 0 HE22 GLN A 4 3.579 -2.139 1.290 1.00 13.31 H new ATOM 65 N ASP A 5 7.750 -6.324 1.628 1.00 70.34 N ATOM 66 CA ASP A 5 8.836 -7.219 1.979 1.00 52.01 C ATOM 67 C ASP A 5 8.348 -8.639 1.978 1.00 14.04 C ATOM 68 O ASP A 5 7.142 -8.893 1.911 1.00 34.30 O ATOM 69 CB ASP A 5 9.422 -6.882 3.361 1.00 72.04 C ATOM 70 CG ASP A 5 10.267 -5.614 3.322 1.00 32.43 C ATOM 71 OD1 ASP A 5 10.643 -5.194 2.242 1.00 71.24 O ATOM 72 OD2 ASP A 5 10.526 -5.071 4.375 1.00 63.22 O ATOM 0 H ASP A 5 7.400 -5.763 2.405 1.00 70.34 H new ATOM 0 HA ASP A 5 9.623 -7.095 1.235 1.00 52.01 H new ATOM 0 HB2 ASP A 5 8.612 -6.757 4.079 1.00 72.04 H new ATOM 0 HB3 ASP A 5 10.032 -7.715 3.710 1.00 72.04 H new ATOM 77 N ILE A 6 9.269 -9.553 2.118 1.00 61.21 N ATOM 78 CA ILE A 6 8.956 -10.952 2.182 1.00 73.32 C ATOM 79 C ILE A 6 9.484 -11.519 3.488 1.00 11.45 C ATOM 80 O ILE A 6 10.299 -10.887 4.166 1.00 13.11 O ATOM 81 CB ILE A 6 9.568 -11.693 0.985 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.093 -11.575 1.016 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.056 -11.070 -0.318 1.00 61.31 C ATOM 84 CD1 ILE A 6 11.682 -12.481 -0.057 1.00 10.12 C ATOM 0 H ILE A 6 10.265 -9.345 2.191 1.00 61.21 H new ATOM 0 HA ILE A 6 7.875 -11.085 2.142 1.00 73.32 H new ATOM 0 HB ILE A 6 9.281 -12.743 1.040 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.394 -10.542 0.843 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.473 -11.858 1.998 1.00 42.14 H new ATOM 0 HG21 ILE A 6 9.490 -11.596 -1.168 1.00 61.31 H new ATOM 0 HG22 ILE A 6 7.970 -11.151 -0.358 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.343 -10.019 -0.356 1.00 61.31 H new ATOM 0 HD11 ILE A 6 12.769 -12.403 -0.042 1.00 10.12 H new ATOM 0 HD12 ILE A 6 11.389 -13.513 0.137 1.00 10.12 H new ATOM 0 HD13 ILE A 6 11.310 -12.176 -1.035 1.00 10.12 H new ATOM 96 N ARG A 7 8.912 -12.618 3.903 1.00 43.32 N ATOM 97 CA ARG A 7 9.195 -13.177 5.204 1.00 44.44 C ATOM 98 C ARG A 7 10.112 -14.371 5.085 1.00 14.40 C ATOM 99 O ARG A 7 9.813 -15.318 4.346 1.00 73.14 O ATOM 100 CB ARG A 7 7.876 -13.608 5.820 1.00 13.53 C ATOM 101 CG ARG A 7 6.986 -12.373 5.961 1.00 74.33 C ATOM 102 CD ARG A 7 5.589 -12.797 6.382 1.00 62.21 C ATOM 103 NE ARG A 7 5.607 -13.416 7.696 1.00 62.41 N ATOM 104 CZ ARG A 7 4.535 -14.041 8.168 1.00 20.20 C ATOM 105 NH1 ARG A 7 3.473 -14.126 7.428 1.00 41.23 N ATOM 106 NH2 ARG A 7 4.555 -14.571 9.358 1.00 33.44 N ATOM 0 H ARG A 7 8.239 -13.152 3.353 1.00 43.32 H new ATOM 0 HA ARG A 7 9.691 -12.432 5.826 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.391 -14.356 5.193 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.044 -14.068 6.794 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.408 -11.691 6.699 1.00 74.33 H new ATOM 0 HG3 ARG A 7 6.944 -11.833 5.015 1.00 74.33 H new ATOM 0 HD2 ARG A 7 4.930 -11.929 6.394 1.00 62.21 H new ATOM 0 HD3 ARG A 7 5.182 -13.497 5.652 1.00 62.21 H new ATOM 0 HE ARG A 7 6.454 -13.370 8.263 1.00 62.41 H new ATOM 0 HH11 ARG A 7 3.468 -13.715 6.494 1.00 41.23 H new ATOM 0 HH12 ARG A 7 2.643 -14.604 7.780 1.00 41.23 H new ATOM 0 HH21 ARG A 7 5.396 -14.507 9.931 1.00 33.44 H new ATOM 0 HH22 ARG A 7 3.729 -15.050 9.717 1.00 33.44 H new ATOM 120 N LEU A 8 11.178 -14.354 5.867 1.00 14.31 N ATOM 121 CA LEU A 8 12.117 -15.458 5.932 1.00 32.33 C ATOM 122 C LEU A 8 12.108 -16.058 7.324 1.00 71.45 C ATOM 123 O LEU A 8 12.323 -15.347 8.316 1.00 32.14 O ATOM 124 CB LEU A 8 13.535 -14.964 5.578 1.00 51.41 C ATOM 125 CG LEU A 8 14.573 -16.080 5.814 1.00 41.23 C ATOM 126 CD1 LEU A 8 14.315 -17.253 4.871 1.00 43.15 C ATOM 127 CD2 LEU A 8 15.977 -15.526 5.564 1.00 70.54 C ATOM 0 H LEU A 8 11.416 -13.571 6.476 1.00 14.31 H new ATOM 0 HA LEU A 8 11.820 -16.222 5.214 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.566 -14.646 4.536 1.00 51.41 H new ATOM 0 HB3 LEU A 8 13.785 -14.093 6.184 1.00 51.41 H new ATOM 0 HG LEU A 8 14.490 -16.430 6.843 1.00 41.23 H new ATOM 0 HD11 LEU A 8 15.055 -18.033 5.049 1.00 43.15 H new ATOM 0 HD12 LEU A 8 13.317 -17.652 5.051 1.00 43.15 H new ATOM 0 HD13 LEU A 8 14.388 -16.912 3.838 1.00 43.15 H new ATOM 0 HD21 LEU A 8 16.713 -16.312 5.730 1.00 70.54 H new ATOM 0 HD22 LEU A 8 16.050 -15.171 4.536 1.00 70.54 H new ATOM 0 HD23 LEU A 8 16.169 -14.699 6.248 1.00 70.54 H new ATOM 139 N TRP A 9 11.940 -17.369 7.402 1.00 31.14 N ATOM 140 CA TRP A 9 12.004 -18.056 8.687 1.00 63.14 C ATOM 141 C TRP A 9 13.406 -18.580 8.871 1.00 61.44 C ATOM 142 O TRP A 9 13.955 -19.196 7.956 1.00 73.50 O ATOM 143 CB TRP A 9 11.052 -19.253 8.716 1.00 41.11 C ATOM 144 CG TRP A 9 9.745 -18.934 8.067 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.053 -17.778 8.192 1.00 3.20 C ATOM 146 CD2 TRP A 9 8.972 -19.780 7.182 1.00 21.14 C ATOM 147 NE1 TRP A 9 7.888 -17.882 7.450 1.00 72.32 N ATOM 148 CE2 TRP A 9 7.800 -19.096 6.805 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.179 -21.072 6.679 1.00 61.33 C ATOM 150 CZ2 TRP A 9 6.861 -19.673 5.956 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.243 -21.659 5.825 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.080 -20.961 5.463 1.00 21.20 C ATOM 0 H TRP A 9 11.760 -17.975 6.601 1.00 31.14 H new ATOM 0 HA TRP A 9 11.724 -17.355 9.474 1.00 63.14 H new ATOM 0 HB2 TRP A 9 11.515 -20.099 8.207 1.00 41.11 H new ATOM 0 HB3 TRP A 9 10.881 -19.557 9.749 1.00 41.11 H new ATOM 0 HD1 TRP A 9 9.358 -16.919 8.772 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.181 -17.149 7.389 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.069 -21.618 6.954 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 5.970 -19.129 5.680 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.414 -22.654 5.441 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.356 -21.419 4.805 1.00 21.20 H new ATOM 163 N VAL A 10 13.988 -18.372 10.036 1.00 73.13 N ATOM 164 CA VAL A 10 15.331 -18.862 10.271 1.00 21.41 C ATOM 165 C VAL A 10 15.388 -19.712 11.534 1.00 54.12 C ATOM 166 O VAL A 10 14.939 -19.282 12.606 1.00 12.11 O ATOM 167 CB VAL A 10 16.304 -17.687 10.378 1.00 41.13 C ATOM 168 CG1 VAL A 10 17.748 -18.198 10.448 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.128 -16.765 9.170 1.00 2.31 C ATOM 0 H VAL A 10 13.562 -17.877 10.820 1.00 73.13 H new ATOM 0 HA VAL A 10 15.621 -19.490 9.428 1.00 21.41 H new ATOM 0 HB VAL A 10 16.091 -17.128 11.289 1.00 41.13 H new ATOM 0 HG11 VAL A 10 18.430 -17.351 10.524 1.00 72.42 H new ATOM 0 HG12 VAL A 10 17.865 -18.838 11.322 1.00 72.42 H new ATOM 0 HG13 VAL A 10 17.976 -18.768 9.548 1.00 72.42 H new ATOM 0 HG21 VAL A 10 16.822 -15.928 9.247 1.00 2.31 H new ATOM 0 HG22 VAL A 10 16.331 -17.321 8.255 1.00 2.31 H new ATOM 0 HG23 VAL A 10 15.106 -16.388 9.146 1.00 2.31 H new ATOM 179 N SER A 11 15.974 -20.896 11.419 1.00 71.44 N ATOM 180 CA SER A 11 16.177 -21.757 12.578 1.00 32.15 C ATOM 181 C SER A 11 17.486 -21.382 13.260 1.00 55.14 C ATOM 182 O SER A 11 18.502 -21.190 12.583 1.00 33.30 O ATOM 183 CB SER A 11 16.198 -23.224 12.144 1.00 73.42 C ATOM 184 OG SER A 11 15.111 -23.458 11.238 1.00 53.13 O ATOM 0 H SER A 11 16.316 -21.282 10.539 1.00 71.44 H new ATOM 0 HA SER A 11 15.357 -21.621 13.283 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.147 -23.461 11.663 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.110 -23.875 13.014 1.00 73.42 H new ATOM 0 HG SER A 11 15.118 -24.396 10.954 1.00 53.13 H new ATOM 190 N VAL A 12 17.459 -21.229 14.577 1.00 44.50 N ATOM 191 CA VAL A 12 18.639 -20.795 15.318 1.00 65.33 C ATOM 192 C VAL A 12 19.047 -21.836 16.355 1.00 31.54 C ATOM 193 O VAL A 12 18.210 -22.303 17.148 1.00 45.10 O ATOM 194 CB VAL A 12 18.355 -19.446 16.007 1.00 22.42 C ATOM 195 CG1 VAL A 12 19.476 -19.096 16.995 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.232 -18.335 14.956 1.00 44.14 C ATOM 0 H VAL A 12 16.636 -21.398 15.155 1.00 44.50 H new ATOM 0 HA VAL A 12 19.463 -20.676 14.614 1.00 65.33 H new ATOM 0 HB VAL A 12 17.417 -19.532 16.556 1.00 22.42 H new ATOM 0 HG11 VAL A 12 19.256 -18.140 17.471 1.00 53.10 H new ATOM 0 HG12 VAL A 12 19.546 -19.873 17.756 1.00 53.10 H new ATOM 0 HG13 VAL A 12 20.423 -19.026 16.460 1.00 53.10 H new ATOM 0 HG21 VAL A 12 18.031 -17.385 15.452 1.00 44.14 H new ATOM 0 HG22 VAL A 12 19.163 -18.261 14.394 1.00 44.14 H new ATOM 0 HG23 VAL A 12 17.414 -18.568 14.274 1.00 44.14 H new ATOM 206 N GLU A 13 20.340 -22.144 16.382 1.00 65.32 N ATOM 207 CA GLU A 13 20.909 -23.053 17.368 1.00 15.40 C ATOM 208 C GLU A 13 22.124 -22.396 18.004 1.00 23.23 C ATOM 209 O GLU A 13 23.157 -22.213 17.343 1.00 42.34 O ATOM 210 CB GLU A 13 21.332 -24.358 16.688 1.00 20.03 C ATOM 211 CG GLU A 13 20.082 -25.088 16.167 1.00 1.01 C ATOM 212 CD GLU A 13 20.454 -26.336 15.380 1.00 64.42 C ATOM 213 OE1 GLU A 13 21.626 -26.636 15.265 1.00 34.31 O ATOM 214 OE2 GLU A 13 19.558 -26.974 14.893 1.00 14.21 O ATOM 0 H GLU A 13 21.021 -21.770 15.721 1.00 65.32 H new ATOM 0 HA GLU A 13 20.164 -23.275 18.132 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.014 -24.148 15.864 1.00 20.03 H new ATOM 0 HB3 GLU A 13 21.870 -24.992 17.393 1.00 20.03 H new ATOM 0 HG2 GLU A 13 19.443 -25.363 17.006 1.00 1.01 H new ATOM 0 HG3 GLU A 13 19.504 -24.415 15.533 1.00 1.01 H new ATOM 221 N ASP A 14 21.993 -21.990 19.256 1.00 22.33 N ATOM 222 CA ASP A 14 23.080 -21.298 19.944 1.00 31.53 C ATOM 223 C ASP A 14 24.143 -22.273 20.390 1.00 2.03 C ATOM 224 O ASP A 14 23.830 -23.353 20.901 1.00 12.43 O ATOM 225 CB ASP A 14 22.561 -20.513 21.152 1.00 1.42 C ATOM 226 CG ASP A 14 23.574 -19.470 21.622 1.00 22.13 C ATOM 227 OD1 ASP A 14 24.741 -19.608 21.325 1.00 24.52 O ATOM 228 OD2 ASP A 14 23.160 -18.538 22.280 1.00 34.20 O ATOM 0 H ASP A 14 21.152 -22.124 19.817 1.00 22.33 H new ATOM 0 HA ASP A 14 23.518 -20.596 19.235 1.00 31.53 H new ATOM 0 HB2 ASP A 14 21.625 -20.020 20.891 1.00 1.42 H new ATOM 0 HB3 ASP A 14 22.342 -21.202 21.968 1.00 1.42 H new ATOM 233 N ALA A 15 25.377 -21.817 20.356 1.00 64.23 N ATOM 234 CA ALA A 15 26.500 -22.571 20.895 1.00 62.10 C ATOM 235 C ALA A 15 26.244 -22.859 22.362 1.00 0.30 C ATOM 236 O ALA A 15 26.767 -23.821 22.929 1.00 4.10 O ATOM 237 CB ALA A 15 27.796 -21.767 20.749 1.00 72.21 C ATOM 0 H ALA A 15 25.635 -20.915 19.956 1.00 64.23 H new ATOM 0 HA ALA A 15 26.603 -23.506 20.345 1.00 62.10 H new ATOM 0 HB1 ALA A 15 28.628 -22.341 21.156 1.00 72.21 H new ATOM 0 HB2 ALA A 15 27.979 -21.560 19.695 1.00 72.21 H new ATOM 0 HB3 ALA A 15 27.704 -20.827 21.293 1.00 72.21 H new ATOM 243 N GLN A 16 25.417 -22.015 22.958 1.00 3.31 N ATOM 244 CA GLN A 16 25.028 -22.148 24.353 1.00 70.51 C ATOM 245 C GLN A 16 24.017 -23.279 24.508 1.00 44.44 C ATOM 246 O GLN A 16 23.354 -23.393 25.542 1.00 43.52 O ATOM 247 CB GLN A 16 24.400 -20.833 24.842 1.00 25.04 C ATOM 248 CG GLN A 16 25.389 -19.677 24.644 1.00 60.51 C ATOM 249 CD GLN A 16 26.636 -19.918 25.472 1.00 52.33 C ATOM 250 OE1 GLN A 16 26.548 -20.092 26.682 1.00 42.31 O ATOM 251 NE2 GLN A 16 27.792 -19.953 24.897 1.00 32.13 N ATOM 0 H GLN A 16 24.995 -21.215 22.486 1.00 3.31 H new ATOM 0 HA GLN A 16 25.913 -22.374 24.947 1.00 70.51 H new ATOM 0 HB2 GLN A 16 23.479 -20.633 24.294 1.00 25.04 H new ATOM 0 HB3 GLN A 16 24.132 -20.917 25.895 1.00 25.04 H new ATOM 0 HG2 GLN A 16 25.653 -19.589 23.590 1.00 60.51 H new ATOM 0 HG3 GLN A 16 24.924 -18.735 24.936 1.00 60.51 H new ATOM 0 HE21 GLN A 16 27.865 -19.808 23.890 1.00 32.13 H new ATOM 0 HE22 GLN A 16 28.632 -20.125 25.450 1.00 32.13 H new ATOM 260 N MET A 17 23.817 -24.039 23.433 1.00 5.31 N ATOM 261 CA MET A 17 22.804 -25.088 23.400 1.00 12.12 C ATOM 262 C MET A 17 21.425 -24.480 23.542 1.00 54.32 C ATOM 263 O MET A 17 20.568 -24.989 24.277 1.00 30.13 O ATOM 264 CB MET A 17 23.045 -26.139 24.491 1.00 21.12 C ATOM 265 CG MET A 17 24.351 -26.886 24.206 1.00 2.23 C ATOM 266 SD MET A 17 24.268 -27.655 22.568 1.00 25.23 S ATOM 267 CE MET A 17 22.885 -28.770 22.908 1.00 74.04 C ATOM 0 H MET A 17 24.349 -23.945 22.568 1.00 5.31 H new ATOM 0 HA MET A 17 22.873 -25.595 22.437 1.00 12.12 H new ATOM 0 HB2 MET A 17 23.095 -25.658 25.468 1.00 21.12 H new ATOM 0 HB3 MET A 17 22.212 -26.842 24.524 1.00 21.12 H new ATOM 0 HG2 MET A 17 25.194 -26.196 24.252 1.00 2.23 H new ATOM 0 HG3 MET A 17 24.520 -27.647 24.968 1.00 2.23 H new ATOM 0 HE1 MET A 17 23.020 -29.697 22.351 1.00 74.04 H new ATOM 0 HE2 MET A 17 22.848 -28.990 23.975 1.00 74.04 H new ATOM 0 HE3 MET A 17 21.952 -28.296 22.603 1.00 74.04 H new ATOM 277 N HIS A 18 21.216 -23.391 22.828 1.00 43.51 N ATOM 278 CA HIS A 18 19.944 -22.700 22.829 1.00 22.43 C ATOM 279 C HIS A 18 19.327 -22.755 21.435 1.00 34.12 C ATOM 280 O HIS A 18 19.869 -22.181 20.486 1.00 31.44 O ATOM 281 CB HIS A 18 20.143 -21.240 23.260 1.00 70.50 C ATOM 282 CG HIS A 18 18.879 -20.705 23.855 1.00 40.41 C ATOM 283 ND1 HIS A 18 17.936 -20.039 23.099 1.00 0.13 N ATOM 284 CD2 HIS A 18 18.386 -20.731 25.134 1.00 21.11 C ATOM 285 CE1 HIS A 18 16.931 -19.689 23.918 1.00 21.41 C ATOM 286 NE2 HIS A 18 17.153 -20.089 25.173 1.00 74.45 N ATOM 0 H HIS A 18 21.923 -22.962 22.232 1.00 43.51 H new ATOM 0 HA HIS A 18 19.271 -23.187 23.535 1.00 22.43 H new ATOM 0 HB2 HIS A 18 20.953 -21.174 23.986 1.00 70.50 H new ATOM 0 HB3 HIS A 18 20.435 -20.635 22.401 1.00 70.50 H new ATOM 0 HD2 HIS A 18 18.880 -21.182 25.982 1.00 21.11 H new ATOM 0 HE1 HIS A 18 16.051 -19.150 23.601 1.00 21.41 H new ATOM 0 HE2 HIS A 18 16.549 -19.953 25.984 1.00 74.45 H new ATOM 295 N THR A 19 18.195 -23.425 21.317 1.00 71.41 N ATOM 296 CA THR A 19 17.503 -23.531 20.045 1.00 41.11 C ATOM 297 C THR A 19 16.418 -22.467 19.967 1.00 2.13 C ATOM 298 O THR A 19 15.609 -22.322 20.896 1.00 64.45 O ATOM 299 CB THR A 19 16.894 -24.935 19.892 1.00 2.14 C ATOM 300 OG1 THR A 19 17.913 -25.909 20.068 1.00 11.24 O ATOM 301 CG2 THR A 19 16.290 -25.097 18.496 1.00 20.53 C ATOM 0 H THR A 19 17.734 -23.906 22.090 1.00 71.41 H new ATOM 0 HA THR A 19 18.212 -23.373 19.232 1.00 41.11 H new ATOM 0 HB THR A 19 16.113 -25.067 20.641 1.00 2.14 H new ATOM 0 HG1 THR A 19 17.529 -26.805 19.973 1.00 11.24 H new ATOM 0 HG21 THR A 19 15.862 -26.095 18.398 1.00 20.53 H new ATOM 0 HG22 THR A 19 15.509 -24.351 18.349 1.00 20.53 H new ATOM 0 HG23 THR A 19 17.068 -24.961 17.745 1.00 20.53 H new ATOM 309 N VAL A 20 16.452 -21.673 18.909 1.00 62.44 N ATOM 310 CA VAL A 20 15.500 -20.587 18.752 1.00 2.05 C ATOM 311 C VAL A 20 14.953 -20.545 17.334 1.00 1.51 C ATOM 312 O VAL A 20 15.606 -20.998 16.383 1.00 15.42 O ATOM 313 CB VAL A 20 16.156 -19.238 19.109 1.00 22.23 C ATOM 314 CG1 VAL A 20 15.077 -18.187 19.396 1.00 41.33 C ATOM 315 CG2 VAL A 20 17.036 -19.407 20.349 1.00 52.53 C ATOM 0 H VAL A 20 17.126 -21.760 18.149 1.00 62.44 H new ATOM 0 HA VAL A 20 14.670 -20.765 19.435 1.00 2.05 H new ATOM 0 HB VAL A 20 16.765 -18.908 18.267 1.00 22.23 H new ATOM 0 HG11 VAL A 20 15.551 -17.238 19.647 1.00 41.33 H new ATOM 0 HG12 VAL A 20 14.451 -18.058 18.513 1.00 41.33 H new ATOM 0 HG13 VAL A 20 14.461 -18.517 20.232 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.499 -18.452 20.600 1.00 52.53 H new ATOM 0 HG22 VAL A 20 16.425 -19.745 21.186 1.00 52.53 H new ATOM 0 HG23 VAL A 20 17.813 -20.144 20.146 1.00 52.53 H new ATOM 325 N THR A 21 13.808 -19.918 17.192 1.00 63.53 N ATOM 326 CA THR A 21 13.196 -19.696 15.906 1.00 44.25 C ATOM 327 C THR A 21 13.035 -18.198 15.702 1.00 12.41 C ATOM 328 O THR A 21 12.458 -17.510 16.556 1.00 11.33 O ATOM 329 CB THR A 21 11.820 -20.376 15.876 1.00 65.22 C ATOM 330 OG1 THR A 21 11.974 -21.762 16.166 1.00 25.54 O ATOM 331 CG2 THR A 21 11.170 -20.212 14.502 1.00 10.42 C ATOM 0 H THR A 21 13.271 -19.545 17.975 1.00 63.53 H new ATOM 0 HA THR A 21 13.816 -20.113 15.113 1.00 44.25 H new ATOM 0 HB THR A 21 11.179 -19.908 16.623 1.00 65.22 H new ATOM 0 HG1 THR A 21 11.097 -22.199 16.149 1.00 25.54 H new ATOM 0 HG21 THR A 21 10.196 -20.700 14.500 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.045 -19.152 14.283 1.00 10.42 H new ATOM 0 HG23 THR A 21 11.806 -20.667 13.742 1.00 10.42 H new ATOM 339 N ILE A 22 13.533 -17.685 14.590 1.00 41.12 N ATOM 340 CA ILE A 22 13.374 -16.276 14.297 1.00 63.41 C ATOM 341 C ILE A 22 12.843 -16.099 12.890 1.00 15.43 C ATOM 342 O ILE A 22 13.101 -16.934 12.005 1.00 50.41 O ATOM 343 CB ILE A 22 14.698 -15.512 14.495 1.00 35.34 C ATOM 344 CG1 ILE A 22 15.746 -15.992 13.488 1.00 65.05 C ATOM 345 CG2 ILE A 22 15.220 -15.742 15.918 1.00 31.40 C ATOM 346 CD1 ILE A 22 17.022 -15.157 13.643 1.00 75.44 C ATOM 0 H ILE A 22 14.044 -18.217 13.885 1.00 41.12 H new ATOM 0 HA ILE A 22 12.652 -15.855 14.996 1.00 63.41 H new ATOM 0 HB ILE A 22 14.514 -14.449 14.338 1.00 35.34 H new ATOM 0 HG12 ILE A 22 15.967 -17.047 13.651 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.360 -15.901 12.473 1.00 65.05 H new ATOM 0 HG21 ILE A 22 16.156 -15.200 16.054 1.00 31.40 H new ATOM 0 HG22 ILE A 22 14.485 -15.382 16.638 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.391 -16.807 16.075 1.00 31.40 H new ATOM 0 HD11 ILE A 22 17.769 -15.498 12.926 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.794 -14.107 13.458 1.00 75.44 H new ATOM 0 HD13 ILE A 22 17.411 -15.271 14.655 1.00 75.44 H new ATOM 358 N TRP A 23 12.106 -15.030 12.682 1.00 51.20 N ATOM 359 CA TRP A 23 11.529 -14.738 11.385 1.00 45.54 C ATOM 360 C TRP A 23 11.944 -13.353 10.955 1.00 3.15 C ATOM 361 O TRP A 23 11.816 -12.399 11.729 1.00 71.12 O ATOM 362 CB TRP A 23 9.995 -14.812 11.457 1.00 14.21 C ATOM 363 CG TRP A 23 9.564 -16.013 12.251 1.00 32.22 C ATOM 364 CD1 TRP A 23 9.035 -17.145 11.736 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.611 -16.212 13.691 1.00 53.12 C ATOM 366 NE1 TRP A 23 8.761 -18.017 12.768 1.00 24.00 N ATOM 367 CE2 TRP A 23 9.099 -17.493 13.989 1.00 64.15 C ATOM 368 CE3 TRP A 23 10.049 -15.416 14.754 1.00 72.44 C ATOM 369 CZ2 TRP A 23 9.020 -17.963 15.296 1.00 24.32 C ATOM 370 CZ3 TRP A 23 9.973 -15.883 16.072 1.00 74.51 C ATOM 371 CH2 TRP A 23 9.460 -17.156 16.343 1.00 12.23 C ATOM 0 H TRP A 23 11.890 -14.341 13.402 1.00 51.20 H new ATOM 0 HA TRP A 23 11.886 -15.473 10.663 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.602 -13.905 11.916 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.580 -14.866 10.451 1.00 14.21 H new ATOM 0 HD1 TRP A 23 8.856 -17.335 10.688 1.00 44.21 H new ATOM 0 HE1 TRP A 23 8.354 -18.943 12.638 1.00 24.00 H new ATOM 0 HE3 TRP A 23 10.449 -14.433 14.557 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 8.621 -18.946 15.498 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 10.312 -15.257 16.884 1.00 74.51 H new ATOM 0 HH2 TRP A 23 9.405 -17.512 17.361 1.00 12.23 H new ATOM 382 N LEU A 24 12.404 -13.227 9.729 1.00 44.10 N ATOM 383 CA LEU A 24 12.800 -11.932 9.197 1.00 40.20 C ATOM 384 C LEU A 24 11.856 -11.500 8.091 1.00 52.40 C ATOM 385 O LEU A 24 11.693 -12.221 7.098 1.00 21.24 O ATOM 386 CB LEU A 24 14.237 -11.969 8.633 1.00 70.54 C ATOM 387 CG LEU A 24 15.277 -12.318 9.724 1.00 40.03 C ATOM 388 CD1 LEU A 24 15.168 -11.367 10.915 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.093 -13.753 10.196 1.00 21.54 C ATOM 0 H LEU A 24 12.515 -14.004 9.078 1.00 44.10 H new ATOM 0 HA LEU A 24 12.759 -11.220 10.021 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.293 -12.704 7.830 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.480 -11.001 8.196 1.00 70.54 H new ATOM 0 HG LEU A 24 16.268 -12.209 9.283 1.00 40.03 H new ATOM 0 HD11 LEU A 24 15.911 -11.637 11.665 1.00 42.21 H new ATOM 0 HD12 LEU A 24 15.344 -10.344 10.581 1.00 42.21 H new ATOM 0 HD13 LEU A 24 14.171 -11.440 11.349 1.00 42.21 H new ATOM 0 HD21 LEU A 24 15.833 -13.981 10.963 1.00 21.54 H new ATOM 0 HD22 LEU A 24 14.092 -13.874 10.610 1.00 21.54 H new ATOM 0 HD23 LEU A 24 15.222 -14.433 9.354 1.00 21.54 H new ATOM 401 N THR A 25 11.378 -10.269 8.171 1.00 32.11 N ATOM 402 CA THR A 25 10.637 -9.688 7.066 1.00 20.03 C ATOM 403 C THR A 25 11.601 -8.795 6.295 1.00 15.11 C ATOM 404 O THR A 25 12.114 -7.811 6.841 1.00 30.42 O ATOM 405 CB THR A 25 9.435 -8.870 7.584 1.00 11.33 C ATOM 406 OG1 THR A 25 8.752 -9.606 8.605 1.00 74.12 O ATOM 407 CG2 THR A 25 8.461 -8.607 6.430 1.00 51.01 C ATOM 0 H THR A 25 11.489 -9.659 8.981 1.00 32.11 H new ATOM 0 HA THR A 25 10.239 -10.471 6.420 1.00 20.03 H new ATOM 0 HB THR A 25 9.796 -7.925 7.991 1.00 11.33 H new ATOM 0 HG1 THR A 25 7.991 -9.082 8.932 1.00 74.12 H new ATOM 0 HG21 THR A 25 7.612 -8.029 6.795 1.00 51.01 H new ATOM 0 HG22 THR A 25 8.970 -8.048 5.645 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.108 -9.557 6.028 1.00 51.01 H new ATOM 415 N VAL A 26 11.937 -9.202 5.087 1.00 24.42 N ATOM 416 CA VAL A 26 12.957 -8.520 4.297 1.00 0.53 C ATOM 417 C VAL A 26 12.612 -8.576 2.826 1.00 14.44 C ATOM 418 O VAL A 26 11.541 -9.024 2.457 1.00 61.52 O ATOM 419 CB VAL A 26 14.332 -9.167 4.542 1.00 60.45 C ATOM 420 CG1 VAL A 26 14.716 -9.033 6.019 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.279 -10.653 4.167 1.00 64.00 C ATOM 0 H VAL A 26 11.518 -10.008 4.623 1.00 24.42 H new ATOM 0 HA VAL A 26 12.995 -7.475 4.605 1.00 0.53 H new ATOM 0 HB VAL A 26 15.076 -8.661 3.927 1.00 60.45 H new ATOM 0 HG11 VAL A 26 15.690 -9.493 6.185 1.00 14.20 H new ATOM 0 HG12 VAL A 26 14.762 -7.978 6.289 1.00 14.20 H new ATOM 0 HG13 VAL A 26 13.969 -9.533 6.636 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.254 -11.107 4.342 1.00 64.00 H new ATOM 0 HG22 VAL A 26 13.530 -11.156 4.778 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.016 -10.753 3.114 1.00 64.00 H new ATOM 431 N ARG A 27 13.545 -8.179 1.990 1.00 33.21 N ATOM 432 CA ARG A 27 13.348 -8.249 0.557 1.00 4.21 C ATOM 433 C ARG A 27 14.464 -9.063 -0.089 1.00 3.32 C ATOM 434 O ARG A 27 15.585 -9.089 0.412 1.00 72.11 O ATOM 435 CB ARG A 27 13.292 -6.847 -0.039 1.00 30.33 C ATOM 436 CG ARG A 27 14.469 -6.005 0.487 1.00 13.41 C ATOM 437 CD ARG A 27 13.959 -4.974 1.503 1.00 0.42 C ATOM 438 NE ARG A 27 13.970 -3.634 0.911 1.00 5.44 N ATOM 439 CZ ARG A 27 12.932 -2.784 0.996 1.00 52.45 C ATOM 440 NH1 ARG A 27 11.839 -3.124 1.621 1.00 55.30 N ATOM 441 NH2 ARG A 27 13.013 -1.612 0.438 1.00 23.52 N ATOM 0 H ARG A 27 14.449 -7.804 2.277 1.00 33.21 H new ATOM 0 HA ARG A 27 12.398 -8.745 0.357 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.332 -6.903 -1.127 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.347 -6.370 0.221 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.211 -6.653 0.954 1.00 13.41 H new ATOM 0 HG3 ARG A 27 14.964 -5.498 -0.341 1.00 13.41 H new ATOM 0 HD2 ARG A 27 12.948 -5.232 1.818 1.00 0.42 H new ATOM 0 HD3 ARG A 27 14.585 -4.991 2.395 1.00 0.42 H new ATOM 0 HE ARG A 27 14.805 -3.331 0.410 1.00 5.44 H new ATOM 0 HH11 ARG A 27 11.764 -4.045 2.053 1.00 55.30 H new ATOM 0 HH12 ARG A 27 11.059 -2.469 1.678 1.00 55.30 H new ATOM 0 HH21 ARG A 27 13.861 -1.342 -0.061 1.00 23.52 H new ATOM 0 HH22 ARG A 27 12.229 -0.963 0.499 1.00 23.52 H new ATOM 455 N PRO A 28 14.188 -9.718 -1.187 1.00 70.42 N ATOM 456 CA PRO A 28 15.193 -10.587 -1.873 1.00 2.44 C ATOM 457 C PRO A 28 16.449 -9.812 -2.247 1.00 10.52 C ATOM 458 O PRO A 28 17.525 -10.401 -2.440 1.00 73.22 O ATOM 459 CB PRO A 28 14.467 -11.054 -3.143 1.00 63.31 C ATOM 460 CG PRO A 28 13.015 -10.908 -2.836 1.00 53.01 C ATOM 461 CD PRO A 28 12.897 -9.705 -1.904 1.00 50.41 C ATOM 0 HA PRO A 28 15.526 -11.405 -1.234 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.751 -10.449 -4.004 1.00 63.31 H new ATOM 0 HB3 PRO A 28 14.717 -12.087 -3.383 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.438 -10.753 -3.748 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.625 -11.808 -2.361 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.751 -8.777 -2.458 1.00 50.41 H new ATOM 0 HD3 PRO A 28 12.054 -9.804 -1.220 1.00 50.41 H new ATOM 469 N ASP A 29 16.292 -8.498 -2.410 1.00 21.24 N ATOM 470 CA ASP A 29 17.386 -7.643 -2.841 1.00 42.34 C ATOM 471 C ASP A 29 18.241 -7.175 -1.674 1.00 22.22 C ATOM 472 O ASP A 29 19.260 -6.497 -1.873 1.00 73.13 O ATOM 473 CB ASP A 29 16.889 -6.448 -3.658 1.00 0.01 C ATOM 474 CG ASP A 29 15.796 -5.707 -2.935 1.00 62.22 C ATOM 475 OD1 ASP A 29 14.802 -6.316 -2.623 1.00 21.43 O ATOM 476 OD2 ASP A 29 15.951 -4.529 -2.733 1.00 43.24 O ATOM 0 H ASP A 29 15.413 -8.006 -2.248 1.00 21.24 H new ATOM 0 HA ASP A 29 18.015 -8.254 -3.488 1.00 42.34 H new ATOM 0 HB2 ASP A 29 17.719 -5.771 -3.858 1.00 0.01 H new ATOM 0 HB3 ASP A 29 16.520 -6.793 -4.624 1.00 0.01 H new ATOM 481 N MET A 30 17.903 -7.629 -0.482 1.00 31.25 N ATOM 482 CA MET A 30 18.734 -7.372 0.680 1.00 25.12 C ATOM 483 C MET A 30 19.980 -8.212 0.626 1.00 64.13 C ATOM 484 O MET A 30 20.008 -9.259 -0.008 1.00 62.13 O ATOM 485 CB MET A 30 17.997 -7.654 1.982 1.00 2.42 C ATOM 486 CG MET A 30 17.504 -6.352 2.602 1.00 11.34 C ATOM 487 SD MET A 30 16.678 -6.735 4.161 1.00 52.43 S ATOM 488 CE MET A 30 18.141 -7.342 5.055 1.00 61.23 C ATOM 0 H MET A 30 17.063 -8.175 -0.293 1.00 31.25 H new ATOM 0 HA MET A 30 18.996 -6.314 0.658 1.00 25.12 H new ATOM 0 HB2 MET A 30 17.153 -8.318 1.794 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.659 -8.169 2.678 1.00 2.42 H new ATOM 0 HG2 MET A 30 18.340 -5.674 2.773 1.00 11.34 H new ATOM 0 HG3 MET A 30 16.817 -5.846 1.924 1.00 11.34 H new ATOM 0 HE1 MET A 30 17.939 -8.337 5.451 1.00 61.23 H new ATOM 0 HE2 MET A 30 18.991 -7.388 4.374 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.372 -6.665 5.877 1.00 61.23 H new ATOM 498 N THR A 31 20.997 -7.735 1.276 1.00 12.23 N ATOM 499 CA THR A 31 22.267 -8.395 1.335 1.00 31.41 C ATOM 500 C THR A 31 22.374 -9.226 2.621 1.00 44.04 C ATOM 501 O THR A 31 21.825 -8.845 3.667 1.00 12.01 O ATOM 502 CB THR A 31 23.374 -7.340 1.235 1.00 25.42 C ATOM 503 OG1 THR A 31 23.522 -6.936 -0.125 1.00 20.13 O ATOM 504 CG2 THR A 31 24.685 -7.898 1.751 1.00 40.23 C ATOM 0 H THR A 31 20.967 -6.856 1.792 1.00 12.23 H new ATOM 0 HA THR A 31 22.375 -9.088 0.501 1.00 31.41 H new ATOM 0 HB THR A 31 23.100 -6.479 1.845 1.00 25.42 H new ATOM 0 HG1 THR A 31 24.228 -6.260 -0.190 1.00 20.13 H new ATOM 0 HG21 THR A 31 25.461 -7.136 1.673 1.00 40.23 H new ATOM 0 HG22 THR A 31 24.570 -8.193 2.794 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.969 -8.767 1.158 1.00 40.23 H new ATOM 512 N VAL A 32 23.050 -10.363 2.537 1.00 60.15 N ATOM 513 CA VAL A 32 23.185 -11.256 3.683 1.00 10.31 C ATOM 514 C VAL A 32 23.858 -10.513 4.833 1.00 54.12 C ATOM 515 O VAL A 32 23.401 -10.577 5.977 1.00 54.33 O ATOM 516 CB VAL A 32 23.997 -12.504 3.293 1.00 44.23 C ATOM 517 CG1 VAL A 32 24.252 -13.379 4.529 1.00 71.12 C ATOM 518 CG2 VAL A 32 23.224 -13.314 2.247 1.00 24.05 C ATOM 0 H VAL A 32 23.514 -10.690 1.689 1.00 60.15 H new ATOM 0 HA VAL A 32 22.196 -11.581 4.005 1.00 10.31 H new ATOM 0 HB VAL A 32 24.954 -12.186 2.878 1.00 44.23 H new ATOM 0 HG11 VAL A 32 24.827 -14.259 4.240 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.811 -12.808 5.270 1.00 71.12 H new ATOM 0 HG13 VAL A 32 23.299 -13.693 4.956 1.00 71.12 H new ATOM 0 HG21 VAL A 32 23.800 -14.197 1.972 1.00 24.05 H new ATOM 0 HG22 VAL A 32 22.264 -13.622 2.662 1.00 24.05 H new ATOM 0 HG23 VAL A 32 23.057 -12.700 1.362 1.00 24.05 H new ATOM 528 N ALA A 33 24.906 -9.766 4.525 1.00 53.45 N ATOM 529 CA ALA A 33 25.575 -8.963 5.543 1.00 55.04 C ATOM 530 C ALA A 33 24.548 -8.086 6.260 1.00 52.23 C ATOM 531 O ALA A 33 24.479 -8.066 7.499 1.00 54.14 O ATOM 532 CB ALA A 33 26.655 -8.080 4.901 1.00 50.32 C ATOM 0 H ALA A 33 25.310 -9.697 3.591 1.00 53.45 H new ATOM 0 HA ALA A 33 26.050 -9.629 6.263 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.146 -7.487 5.672 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.392 -8.710 4.404 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.194 -7.415 4.170 1.00 50.32 H new ATOM 538 N SER A 34 23.701 -7.432 5.477 1.00 20.42 N ATOM 539 CA SER A 34 22.625 -6.614 6.017 1.00 42.23 C ATOM 540 C SER A 34 21.662 -7.481 6.812 1.00 51.41 C ATOM 541 O SER A 34 21.202 -7.099 7.888 1.00 74.05 O ATOM 542 CB SER A 34 21.881 -5.937 4.877 1.00 22.13 C ATOM 543 OG SER A 34 22.809 -5.620 3.845 1.00 22.31 O ATOM 0 H SER A 34 23.740 -7.453 4.458 1.00 20.42 H new ATOM 0 HA SER A 34 23.048 -5.856 6.676 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.101 -6.594 4.493 1.00 22.13 H new ATOM 0 HB3 SER A 34 21.389 -5.032 5.233 1.00 22.13 H new ATOM 0 HG SER A 34 22.431 -4.924 3.268 1.00 22.31 H new ATOM 549 N LEU A 35 21.390 -8.666 6.294 1.00 42.51 N ATOM 550 CA LEU A 35 20.510 -9.599 6.971 1.00 60.21 C ATOM 551 C LEU A 35 21.085 -9.973 8.317 1.00 12.50 C ATOM 552 O LEU A 35 20.390 -9.907 9.340 1.00 51.11 O ATOM 553 CB LEU A 35 20.285 -10.849 6.111 1.00 20.44 C ATOM 554 CG LEU A 35 19.436 -11.875 6.873 1.00 63.51 C ATOM 555 CD1 LEU A 35 18.106 -11.254 7.290 1.00 4.13 C ATOM 556 CD2 LEU A 35 19.169 -13.086 5.981 1.00 72.44 C ATOM 0 H LEU A 35 21.766 -9.004 5.408 1.00 42.51 H new ATOM 0 HA LEU A 35 19.545 -9.118 7.128 1.00 60.21 H new ATOM 0 HB2 LEU A 35 19.787 -10.574 5.181 1.00 20.44 H new ATOM 0 HB3 LEU A 35 21.244 -11.290 5.841 1.00 20.44 H new ATOM 0 HG LEU A 35 19.980 -12.187 7.764 1.00 63.51 H new ATOM 0 HD11 LEU A 35 17.513 -11.992 7.830 1.00 4.13 H new ATOM 0 HD12 LEU A 35 18.292 -10.396 7.936 1.00 4.13 H new ATOM 0 HD13 LEU A 35 17.562 -10.930 6.403 1.00 4.13 H new ATOM 0 HD21 LEU A 35 18.566 -13.813 6.525 1.00 72.44 H new ATOM 0 HD22 LEU A 35 18.634 -12.768 5.086 1.00 72.44 H new ATOM 0 HD23 LEU A 35 20.116 -13.543 5.694 1.00 72.44 H new ATOM 568 N LYS A 36 22.379 -10.247 8.348 1.00 34.21 N ATOM 569 CA LYS A 36 23.024 -10.515 9.616 1.00 44.21 C ATOM 570 C LYS A 36 22.895 -9.277 10.476 1.00 31.00 C ATOM 571 O LYS A 36 22.707 -9.359 11.694 1.00 33.33 O ATOM 572 CB LYS A 36 24.515 -10.778 9.440 1.00 43.15 C ATOM 573 CG LYS A 36 24.796 -12.065 8.667 1.00 4.03 C ATOM 574 CD LYS A 36 26.322 -12.256 8.638 1.00 65.42 C ATOM 575 CE LYS A 36 26.827 -12.404 7.204 1.00 65.21 C ATOM 576 NZ LYS A 36 27.179 -13.817 6.917 1.00 35.45 N ATOM 0 H LYS A 36 22.988 -10.289 7.531 1.00 34.21 H new ATOM 0 HA LYS A 36 22.552 -11.391 10.062 1.00 44.21 H new ATOM 0 HB2 LYS A 36 24.969 -9.937 8.916 1.00 43.15 H new ATOM 0 HB3 LYS A 36 24.988 -10.836 10.420 1.00 43.15 H new ATOM 0 HG2 LYS A 36 24.311 -12.915 9.147 1.00 4.03 H new ATOM 0 HG3 LYS A 36 24.397 -12.000 7.655 1.00 4.03 H new ATOM 0 HD2 LYS A 36 26.808 -11.404 9.113 1.00 65.42 H new ATOM 0 HD3 LYS A 36 26.593 -13.140 9.216 1.00 65.42 H new ATOM 0 HE2 LYS A 36 26.061 -12.066 6.506 1.00 65.21 H new ATOM 0 HE3 LYS A 36 27.699 -11.768 7.053 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 27.967 -13.848 6.238 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 27.463 -14.290 7.799 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 26.354 -14.305 6.512 1.00 35.45 H new ATOM 590 N ASP A 37 23.082 -8.129 9.837 1.00 21.40 N ATOM 591 CA ASP A 37 23.089 -6.864 10.542 1.00 31.33 C ATOM 592 C ASP A 37 21.778 -6.630 11.265 1.00 3.04 C ATOM 593 O ASP A 37 21.772 -6.461 12.477 1.00 73.14 O ATOM 594 CB ASP A 37 23.385 -5.707 9.575 1.00 1.34 C ATOM 595 CG ASP A 37 23.551 -4.406 10.335 1.00 74.31 C ATOM 596 OD1 ASP A 37 24.408 -4.348 11.190 1.00 11.04 O ATOM 597 OD2 ASP A 37 22.838 -3.471 10.032 1.00 52.50 O ATOM 0 H ASP A 37 23.231 -8.053 8.831 1.00 21.40 H new ATOM 0 HA ASP A 37 23.881 -6.904 11.289 1.00 31.33 H new ATOM 0 HB2 ASP A 37 24.291 -5.922 9.009 1.00 1.34 H new ATOM 0 HB3 ASP A 37 22.573 -5.612 8.854 1.00 1.34 H new ATOM 602 N MET A 38 20.654 -6.766 10.563 1.00 34.44 N ATOM 603 CA MET A 38 19.356 -6.586 11.233 1.00 41.13 C ATOM 604 C MET A 38 19.216 -7.597 12.342 1.00 34.34 C ATOM 605 O MET A 38 18.792 -7.263 13.452 1.00 71.22 O ATOM 606 CB MET A 38 18.152 -6.713 10.281 1.00 41.21 C ATOM 607 CG MET A 38 18.585 -7.156 8.889 1.00 23.15 C ATOM 608 SD MET A 38 17.117 -7.650 7.940 1.00 32.15 S ATOM 609 CE MET A 38 16.601 -9.047 8.986 1.00 74.35 C ATOM 0 H MET A 38 20.607 -6.991 9.569 1.00 34.44 H new ATOM 0 HA MET A 38 19.348 -5.569 11.625 1.00 41.13 H new ATOM 0 HB2 MET A 38 17.440 -7.431 10.687 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.636 -5.755 10.215 1.00 41.21 H new ATOM 0 HG2 MET A 38 19.106 -6.344 8.381 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.285 -7.989 8.960 1.00 23.15 H new ATOM 0 HE1 MET A 38 16.176 -9.832 8.361 1.00 74.35 H new ATOM 0 HE2 MET A 38 17.465 -9.438 9.523 1.00 74.35 H new ATOM 0 HE3 MET A 38 15.852 -8.708 9.702 1.00 74.35 H new ATOM 619 N VAL A 39 19.655 -8.810 12.067 1.00 14.41 N ATOM 620 CA VAL A 39 19.663 -9.858 13.060 1.00 25.32 C ATOM 621 C VAL A 39 20.553 -9.429 14.216 1.00 51.44 C ATOM 622 O VAL A 39 20.172 -9.550 15.380 1.00 21.33 O ATOM 623 CB VAL A 39 20.132 -11.186 12.431 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.279 -12.277 13.501 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.099 -11.640 11.390 1.00 65.31 C ATOM 0 H VAL A 39 20.013 -9.092 11.155 1.00 14.41 H new ATOM 0 HA VAL A 39 18.656 -10.026 13.442 1.00 25.32 H new ATOM 0 HB VAL A 39 21.102 -11.026 11.961 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.611 -13.204 13.033 1.00 41.14 H new ATOM 0 HG12 VAL A 39 21.013 -11.962 14.243 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.318 -12.441 13.988 1.00 41.14 H new ATOM 0 HG21 VAL A 39 19.424 -12.579 10.941 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.133 -11.784 11.875 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.006 -10.880 10.615 1.00 65.31 H new ATOM 635 N PHE A 40 21.692 -8.844 13.891 1.00 3.12 N ATOM 636 CA PHE A 40 22.558 -8.294 14.912 1.00 33.42 C ATOM 637 C PHE A 40 21.833 -7.213 15.685 1.00 2.10 C ATOM 638 O PHE A 40 21.832 -7.225 16.910 1.00 42.22 O ATOM 639 CB PHE A 40 23.846 -7.738 14.302 1.00 31.43 C ATOM 640 CG PHE A 40 24.635 -6.997 15.360 1.00 13.33 C ATOM 641 CD1 PHE A 40 25.210 -7.694 16.428 1.00 13.01 C ATOM 642 CD2 PHE A 40 24.782 -5.604 15.271 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.935 -7.004 17.405 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.508 -4.916 16.249 1.00 33.14 C ATOM 645 CZ PHE A 40 26.084 -5.615 17.316 1.00 34.32 C ATOM 0 H PHE A 40 22.035 -8.739 12.936 1.00 3.12 H new ATOM 0 HA PHE A 40 22.829 -9.098 15.596 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.445 -8.551 13.891 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.608 -7.068 13.476 1.00 31.43 H new ATOM 0 HD1 PHE A 40 25.094 -8.765 16.498 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.335 -5.064 14.449 1.00 43.21 H new ATOM 0 HE1 PHE A 40 26.380 -7.543 18.228 1.00 61.34 H new ATOM 0 HE2 PHE A 40 25.624 -3.844 16.181 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.644 -5.083 18.071 1.00 34.32 H new ATOM 655 N LEU A 41 21.165 -6.312 14.984 1.00 22.50 N ATOM 656 CA LEU A 41 20.430 -5.263 15.677 1.00 60.20 C ATOM 657 C LEU A 41 19.360 -5.909 16.524 1.00 62.30 C ATOM 658 O LEU A 41 19.098 -5.496 17.655 1.00 2.04 O ATOM 659 CB LEU A 41 19.694 -4.360 14.672 1.00 64.43 C ATOM 660 CG LEU A 41 20.628 -3.843 13.588 1.00 14.35 C ATOM 661 CD1 LEU A 41 19.845 -2.971 12.614 1.00 15.13 C ATOM 662 CD2 LEU A 41 21.768 -3.044 14.195 1.00 2.24 C ATOM 0 H LEU A 41 21.115 -6.282 13.966 1.00 22.50 H new ATOM 0 HA LEU A 41 21.138 -4.681 16.267 1.00 60.20 H new ATOM 0 HB2 LEU A 41 18.877 -4.917 14.213 1.00 64.43 H new ATOM 0 HB3 LEU A 41 19.248 -3.517 15.200 1.00 64.43 H new ATOM 0 HG LEU A 41 21.052 -4.695 13.057 1.00 14.35 H new ATOM 0 HD11 LEU A 41 20.515 -2.601 11.838 1.00 15.13 H new ATOM 0 HD12 LEU A 41 19.050 -3.560 12.157 1.00 15.13 H new ATOM 0 HD13 LEU A 41 19.410 -2.128 13.150 1.00 15.13 H new ATOM 0 HD21 LEU A 41 22.423 -2.684 13.402 1.00 2.24 H new ATOM 0 HD22 LEU A 41 21.364 -2.194 14.745 1.00 2.24 H new ATOM 0 HD23 LEU A 41 22.336 -3.679 14.874 1.00 2.24 H new ATOM 674 N ASP A 42 18.683 -6.864 15.919 1.00 3.40 N ATOM 675 CA ASP A 42 17.524 -7.500 16.530 1.00 20.53 C ATOM 676 C ASP A 42 17.907 -8.439 17.667 1.00 55.41 C ATOM 677 O ASP A 42 17.249 -8.460 18.714 1.00 3.34 O ATOM 678 CB ASP A 42 16.716 -8.259 15.459 1.00 22.22 C ATOM 679 CG ASP A 42 15.292 -8.534 15.920 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.793 -7.788 16.734 1.00 72.43 O ATOM 681 OD2 ASP A 42 14.702 -9.469 15.426 1.00 75.41 O ATOM 0 H ASP A 42 18.916 -7.223 14.993 1.00 3.40 H new ATOM 0 HA ASP A 42 16.910 -6.710 16.962 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.694 -7.676 14.538 1.00 22.22 H new ATOM 0 HB3 ASP A 42 17.212 -9.202 15.228 1.00 22.22 H new ATOM 686 N TYR A 43 18.904 -9.283 17.427 1.00 32.23 N ATOM 687 CA TYR A 43 19.268 -10.316 18.396 1.00 3.43 C ATOM 688 C TYR A 43 20.632 -10.065 19.027 1.00 54.44 C ATOM 689 O TYR A 43 21.044 -10.794 19.924 1.00 52.22 O ATOM 690 CB TYR A 43 19.253 -11.688 17.712 1.00 12.45 C ATOM 691 CG TYR A 43 17.909 -11.887 17.054 1.00 32.24 C ATOM 692 CD1 TYR A 43 16.796 -12.255 17.816 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.777 -11.675 15.682 1.00 13.44 C ATOM 694 CE1 TYR A 43 15.552 -12.412 17.197 1.00 60.33 C ATOM 695 CE2 TYR A 43 16.539 -11.825 15.066 1.00 50.22 C ATOM 696 CZ TYR A 43 15.426 -12.194 15.823 1.00 33.42 C ATOM 697 OH TYR A 43 14.205 -12.316 15.215 1.00 11.32 O ATOM 0 H TYR A 43 19.471 -9.275 16.579 1.00 32.23 H new ATOM 0 HA TYR A 43 18.532 -10.288 19.199 1.00 3.43 H new ATOM 0 HB2 TYR A 43 20.049 -11.749 16.970 1.00 12.45 H new ATOM 0 HB3 TYR A 43 19.436 -12.476 18.442 1.00 12.45 H new ATOM 0 HD1 TYR A 43 16.897 -12.417 18.879 1.00 32.13 H new ATOM 0 HD2 TYR A 43 18.639 -11.393 15.096 1.00 13.44 H new ATOM 0 HE1 TYR A 43 14.690 -12.701 17.780 1.00 60.33 H new ATOM 0 HE2 TYR A 43 16.439 -11.656 14.004 1.00 50.22 H new ATOM 0 HH TYR A 43 13.851 -11.425 15.010 1.00 11.32 H new ATOM 707 N GLY A 44 21.353 -9.068 18.540 1.00 13.32 N ATOM 708 CA GLY A 44 22.682 -8.774 19.070 1.00 51.52 C ATOM 709 C GLY A 44 23.680 -9.832 18.622 1.00 41.34 C ATOM 710 O GLY A 44 24.794 -9.904 19.135 1.00 41.15 O ATOM 0 H GLY A 44 21.048 -8.452 17.786 1.00 13.32 H new ATOM 0 HA2 GLY A 44 23.007 -7.791 18.729 1.00 51.52 H new ATOM 0 HA3 GLY A 44 22.646 -8.737 20.159 1.00 51.52 H new ATOM 714 N PHE A 45 23.274 -10.658 17.662 1.00 73.22 N ATOM 715 CA PHE A 45 24.140 -11.721 17.155 1.00 0.40 C ATOM 716 C PHE A 45 25.170 -11.131 16.204 1.00 12.32 C ATOM 717 O PHE A 45 24.808 -10.676 15.121 1.00 44.25 O ATOM 718 CB PHE A 45 23.318 -12.779 16.389 1.00 13.01 C ATOM 719 CG PHE A 45 22.313 -13.495 17.287 1.00 55.55 C ATOM 720 CD1 PHE A 45 22.171 -13.151 18.642 1.00 31.22 C ATOM 721 CD2 PHE A 45 21.519 -14.514 16.746 1.00 43.54 C ATOM 722 CE1 PHE A 45 21.239 -13.825 19.439 1.00 2.11 C ATOM 723 CE2 PHE A 45 20.591 -15.186 17.546 1.00 74.25 C ATOM 724 CZ PHE A 45 20.452 -14.841 18.892 1.00 11.12 C ATOM 0 H PHE A 45 22.356 -10.613 17.220 1.00 73.22 H new ATOM 0 HA PHE A 45 24.632 -12.193 18.006 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.789 -12.298 15.566 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.994 -13.512 15.948 1.00 13.01 H new ATOM 0 HD1 PHE A 45 22.780 -12.367 19.068 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.624 -14.782 15.705 1.00 43.54 H new ATOM 0 HE1 PHE A 45 21.128 -13.559 20.480 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.982 -15.971 17.124 1.00 74.25 H new ATOM 0 HZ PHE A 45 19.735 -15.360 19.511 1.00 11.12 H new ATOM 734 N PRO A 46 26.431 -11.113 16.567 1.00 33.44 N ATOM 735 CA PRO A 46 27.493 -10.545 15.685 1.00 1.25 C ATOM 736 C PRO A 46 27.694 -11.412 14.441 1.00 72.23 C ATOM 737 O PRO A 46 27.476 -12.630 14.482 1.00 63.41 O ATOM 738 CB PRO A 46 28.742 -10.559 16.569 1.00 45.41 C ATOM 739 CG PRO A 46 28.494 -11.656 17.549 1.00 3.22 C ATOM 740 CD PRO A 46 26.991 -11.624 17.838 1.00 61.54 C ATOM 0 HA PRO A 46 27.247 -9.550 15.315 1.00 1.25 H new ATOM 0 HB2 PRO A 46 29.641 -10.747 15.982 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.883 -9.602 17.072 1.00 45.41 H new ATOM 0 HG2 PRO A 46 28.793 -12.621 17.140 1.00 3.22 H new ATOM 0 HG3 PRO A 46 29.071 -11.504 18.461 1.00 3.22 H new ATOM 0 HD2 PRO A 46 26.604 -12.613 18.083 1.00 61.54 H new ATOM 0 HD3 PRO A 46 26.753 -10.971 18.678 1.00 61.54 H new ATOM 748 N PRO A 47 28.117 -10.825 13.350 1.00 24.43 N ATOM 749 CA PRO A 47 28.319 -11.565 12.069 1.00 3.35 C ATOM 750 C PRO A 47 29.332 -12.683 12.220 1.00 32.23 C ATOM 751 O PRO A 47 29.215 -13.729 11.578 1.00 60.40 O ATOM 752 CB PRO A 47 28.814 -10.484 11.094 1.00 22.12 C ATOM 753 CG PRO A 47 29.338 -9.390 11.969 1.00 61.03 C ATOM 754 CD PRO A 47 28.451 -9.397 13.211 1.00 72.21 C ATOM 0 HA PRO A 47 27.409 -12.056 11.725 1.00 3.35 H new ATOM 0 HB2 PRO A 47 29.592 -10.871 10.436 1.00 22.12 H new ATOM 0 HB3 PRO A 47 28.006 -10.127 10.456 1.00 22.12 H new ATOM 0 HG2 PRO A 47 30.381 -9.564 12.232 1.00 61.03 H new ATOM 0 HG3 PRO A 47 29.294 -8.427 11.461 1.00 61.03 H new ATOM 0 HD2 PRO A 47 28.975 -9.015 14.087 1.00 72.21 H new ATOM 0 HD3 PRO A 47 27.561 -8.782 13.078 1.00 72.21 H new ATOM 762 N VAL A 48 30.273 -12.499 13.127 1.00 2.22 N ATOM 763 CA VAL A 48 31.233 -13.541 13.422 1.00 3.34 C ATOM 764 C VAL A 48 30.524 -14.777 13.979 1.00 13.44 C ATOM 765 O VAL A 48 30.742 -15.897 13.506 1.00 24.32 O ATOM 766 CB VAL A 48 32.326 -13.017 14.384 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.696 -12.200 15.520 1.00 44.54 C ATOM 768 CG2 VAL A 48 33.115 -14.189 14.986 1.00 41.53 C ATOM 0 H VAL A 48 30.391 -11.643 13.668 1.00 2.22 H new ATOM 0 HA VAL A 48 31.730 -13.837 12.498 1.00 3.34 H new ATOM 0 HB VAL A 48 33.001 -12.380 13.813 1.00 51.11 H new ATOM 0 HG11 VAL A 48 32.479 -11.840 16.187 1.00 44.54 H new ATOM 0 HG12 VAL A 48 31.157 -11.350 15.101 1.00 44.54 H new ATOM 0 HG13 VAL A 48 31.004 -12.829 16.080 1.00 44.54 H new ATOM 0 HG21 VAL A 48 33.880 -13.804 15.660 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.437 -14.838 15.539 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.589 -14.757 14.186 1.00 41.53 H new ATOM 778 N LEU A 49 29.623 -14.561 14.928 1.00 54.44 N ATOM 779 CA LEU A 49 28.834 -15.655 15.476 1.00 52.43 C ATOM 780 C LEU A 49 27.790 -16.138 14.497 1.00 2.01 C ATOM 781 O LEU A 49 27.464 -17.322 14.469 1.00 62.52 O ATOM 782 CB LEU A 49 28.188 -15.292 16.817 1.00 62.41 C ATOM 783 CG LEU A 49 29.193 -15.532 17.964 1.00 55.31 C ATOM 784 CD1 LEU A 49 30.103 -14.322 18.145 1.00 45.40 C ATOM 785 CD2 LEU A 49 28.437 -15.794 19.266 1.00 21.42 C ATOM 0 H LEU A 49 29.422 -13.646 15.331 1.00 54.44 H new ATOM 0 HA LEU A 49 29.532 -16.472 15.658 1.00 52.43 H new ATOM 0 HB2 LEU A 49 27.874 -14.248 16.809 1.00 62.41 H new ATOM 0 HB3 LEU A 49 27.292 -15.893 16.974 1.00 62.41 H new ATOM 0 HG LEU A 49 29.804 -16.398 17.710 1.00 55.31 H new ATOM 0 HD11 LEU A 49 30.804 -14.512 18.958 1.00 45.40 H new ATOM 0 HD12 LEU A 49 30.657 -14.142 17.224 1.00 45.40 H new ATOM 0 HD13 LEU A 49 29.500 -13.446 18.383 1.00 45.40 H new ATOM 0 HD21 LEU A 49 29.150 -15.963 20.073 1.00 21.42 H new ATOM 0 HD22 LEU A 49 27.815 -14.931 19.506 1.00 21.42 H new ATOM 0 HD23 LEU A 49 27.806 -16.675 19.149 1.00 21.42 H new ATOM 797 N GLN A 50 27.197 -15.209 13.751 1.00 62.55 N ATOM 798 CA GLN A 50 26.130 -15.581 12.839 1.00 24.52 C ATOM 799 C GLN A 50 26.657 -16.399 11.682 1.00 43.40 C ATOM 800 O GLN A 50 26.936 -15.849 10.611 1.00 65.42 O ATOM 801 CB GLN A 50 25.412 -14.357 12.260 1.00 53.50 C ATOM 802 CG GLN A 50 24.578 -13.636 13.315 1.00 42.03 C ATOM 803 CD GLN A 50 23.732 -12.584 12.610 1.00 24.14 C ATOM 804 OE1 GLN A 50 23.099 -12.897 11.594 1.00 22.04 O ATOM 805 NE2 GLN A 50 23.679 -11.369 13.062 1.00 23.53 N ATOM 0 H GLN A 50 27.433 -14.217 13.761 1.00 62.55 H new ATOM 0 HA GLN A 50 25.426 -16.169 13.428 1.00 24.52 H new ATOM 0 HB2 GLN A 50 26.147 -13.668 11.845 1.00 53.50 H new ATOM 0 HB3 GLN A 50 24.767 -14.669 11.438 1.00 53.50 H new ATOM 0 HG2 GLN A 50 23.941 -14.344 13.846 1.00 42.03 H new ATOM 0 HG3 GLN A 50 25.225 -13.169 14.058 1.00 42.03 H new ATOM 0 HE21 GLN A 50 24.202 -11.113 13.900 1.00 23.53 H new ATOM 0 HE22 GLN A 50 23.115 -10.670 12.580 1.00 23.53 H new ATOM 814 N GLN A 51 26.616 -17.707 11.816 1.00 50.00 N ATOM 815 CA GLN A 51 26.905 -18.565 10.694 1.00 5.12 C ATOM 816 C GLN A 51 25.594 -19.040 10.108 1.00 24.14 C ATOM 817 O GLN A 51 24.911 -19.876 10.686 1.00 52.33 O ATOM 818 CB GLN A 51 27.774 -19.751 11.130 1.00 32.34 C ATOM 819 CG GLN A 51 28.081 -20.664 9.932 1.00 40.52 C ATOM 820 CD GLN A 51 29.036 -21.774 10.359 1.00 13.41 C ATOM 821 OE1 GLN A 51 29.878 -21.566 11.234 1.00 2.14 O ATOM 822 NE2 GLN A 51 28.962 -22.935 9.797 1.00 64.45 N ATOM 0 H GLN A 51 26.387 -18.193 12.683 1.00 50.00 H new ATOM 0 HA GLN A 51 27.465 -18.014 9.938 1.00 5.12 H new ATOM 0 HB2 GLN A 51 28.705 -19.387 11.565 1.00 32.34 H new ATOM 0 HB3 GLN A 51 27.261 -20.319 11.906 1.00 32.34 H new ATOM 0 HG2 GLN A 51 27.157 -21.095 9.546 1.00 40.52 H new ATOM 0 HG3 GLN A 51 28.524 -20.082 9.124 1.00 40.52 H new ATOM 0 HE21 GLN A 51 28.265 -23.107 9.073 1.00 64.45 H new ATOM 0 HE22 GLN A 51 29.601 -23.679 10.078 1.00 64.45 H new ATOM 831 N TRP A 52 25.228 -18.485 8.980 1.00 42.04 N ATOM 832 CA TRP A 52 23.980 -18.847 8.341 1.00 31.04 C ATOM 833 C TRP A 52 24.216 -20.064 7.475 1.00 72.42 C ATOM 834 O TRP A 52 25.181 -20.091 6.710 1.00 1.43 O ATOM 835 CB TRP A 52 23.491 -17.677 7.475 1.00 75.43 C ATOM 836 CG TRP A 52 22.967 -16.568 8.348 1.00 45.20 C ATOM 837 CD1 TRP A 52 23.719 -15.758 9.141 1.00 33.04 C ATOM 838 CD2 TRP A 52 21.594 -16.124 8.507 1.00 51.21 C ATOM 839 NE1 TRP A 52 22.876 -14.858 9.786 1.00 11.32 N ATOM 840 CE2 TRP A 52 21.561 -15.046 9.423 1.00 62.02 C ATOM 841 CE3 TRP A 52 20.383 -16.556 7.953 1.00 64.11 C ATOM 842 CZ2 TRP A 52 20.364 -14.419 9.772 1.00 55.12 C ATOM 843 CZ3 TRP A 52 19.180 -15.928 8.297 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.171 -14.861 9.207 1.00 64.43 C ATOM 0 H TRP A 52 25.773 -17.781 8.483 1.00 42.04 H new ATOM 0 HA TRP A 52 23.223 -19.071 9.093 1.00 31.04 H new ATOM 0 HB2 TRP A 52 24.308 -17.307 6.856 1.00 75.43 H new ATOM 0 HB3 TRP A 52 22.707 -18.018 6.798 1.00 75.43 H new ATOM 0 HD1 TRP A 52 24.792 -15.805 9.252 1.00 33.04 H new ATOM 0 HE1 TRP A 52 23.193 -14.147 10.446 1.00 11.32 H new ATOM 0 HE3 TRP A 52 20.377 -17.380 7.255 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 20.363 -13.598 10.474 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 18.253 -16.267 7.859 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.239 -14.382 9.469 1.00 64.43 H new ATOM 855 N VAL A 53 23.351 -21.071 7.578 1.00 64.50 N ATOM 856 CA VAL A 53 23.539 -22.264 6.768 1.00 13.22 C ATOM 857 C VAL A 53 22.567 -22.246 5.604 1.00 24.40 C ATOM 858 O VAL A 53 21.340 -22.275 5.794 1.00 52.11 O ATOM 859 CB VAL A 53 23.315 -23.533 7.622 1.00 15.40 C ATOM 860 CG1 VAL A 53 24.014 -24.733 6.978 1.00 70.32 C ATOM 861 CG2 VAL A 53 23.857 -23.321 9.044 1.00 70.32 C ATOM 0 H VAL A 53 22.539 -21.084 8.195 1.00 64.50 H new ATOM 0 HA VAL A 53 24.560 -22.277 6.387 1.00 13.22 H new ATOM 0 HB VAL A 53 22.244 -23.729 7.675 1.00 15.40 H new ATOM 0 HG11 VAL A 53 23.849 -25.621 7.589 1.00 70.32 H new ATOM 0 HG12 VAL A 53 23.608 -24.898 5.980 1.00 70.32 H new ATOM 0 HG13 VAL A 53 25.084 -24.536 6.906 1.00 70.32 H new ATOM 0 HG21 VAL A 53 23.693 -24.222 9.634 1.00 70.32 H new ATOM 0 HG22 VAL A 53 24.925 -23.107 8.998 1.00 70.32 H new ATOM 0 HG23 VAL A 53 23.339 -22.483 9.510 1.00 70.32 H new ATOM 871 N ILE A 54 23.121 -22.256 4.411 1.00 31.32 N ATOM 872 CA ILE A 54 22.360 -22.279 3.181 1.00 2.42 C ATOM 873 C ILE A 54 23.172 -23.029 2.128 1.00 55.44 C ATOM 874 O ILE A 54 24.358 -22.736 1.938 1.00 64.42 O ATOM 875 CB ILE A 54 22.097 -20.838 2.711 1.00 61.22 C ATOM 876 CG1 ILE A 54 21.336 -20.034 3.780 1.00 70.55 C ATOM 877 CG2 ILE A 54 21.273 -20.844 1.430 1.00 73.52 C ATOM 878 CD1 ILE A 54 19.926 -20.608 3.976 1.00 33.44 C ATOM 0 H ILE A 54 24.131 -22.248 4.266 1.00 31.32 H new ATOM 0 HA ILE A 54 21.403 -22.777 3.337 1.00 2.42 H new ATOM 0 HB ILE A 54 23.065 -20.370 2.533 1.00 61.22 H new ATOM 0 HG12 ILE A 54 21.882 -20.063 4.723 1.00 70.55 H new ATOM 0 HG13 ILE A 54 21.272 -18.988 3.481 1.00 70.55 H new ATOM 0 HG21 ILE A 54 21.094 -19.818 1.108 1.00 73.52 H new ATOM 0 HG22 ILE A 54 21.816 -21.379 0.651 1.00 73.52 H new ATOM 0 HG23 ILE A 54 20.319 -21.339 1.613 1.00 73.52 H new ATOM 0 HD11 ILE A 54 19.400 -20.029 4.735 1.00 33.44 H new ATOM 0 HD12 ILE A 54 19.378 -20.556 3.035 1.00 33.44 H new ATOM 0 HD13 ILE A 54 19.998 -21.647 4.297 1.00 33.44 H new ATOM 890 N GLY A 55 22.551 -23.948 1.426 1.00 44.24 N ATOM 891 CA GLY A 55 23.260 -24.697 0.397 1.00 72.21 C ATOM 892 C GLY A 55 23.823 -23.763 -0.672 1.00 2.10 C ATOM 893 O GLY A 55 24.946 -23.960 -1.147 1.00 62.13 O ATOM 0 H GLY A 55 21.569 -24.198 1.541 1.00 44.24 H new ATOM 0 HA2 GLY A 55 24.071 -25.266 0.851 1.00 72.21 H new ATOM 0 HA3 GLY A 55 22.584 -25.417 -0.064 1.00 72.21 H new ATOM 897 N GLN A 56 23.020 -22.779 -1.081 1.00 71.41 N ATOM 898 CA GLN A 56 23.404 -21.831 -2.137 1.00 61.53 C ATOM 899 C GLN A 56 24.502 -20.855 -1.693 1.00 71.41 C ATOM 900 O GLN A 56 25.076 -20.145 -2.529 1.00 14.44 O ATOM 901 CB GLN A 56 22.180 -21.050 -2.637 1.00 1.42 C ATOM 902 CG GLN A 56 21.210 -22.014 -3.335 1.00 54.32 C ATOM 903 CD GLN A 56 19.974 -21.272 -3.841 1.00 14.01 C ATOM 904 OE1 GLN A 56 19.870 -19.999 -3.672 1.00 34.33 O flip ATOM 905 NE2 GLN A 56 19.079 -21.883 -4.424 1.00 5.11 N flip ATOM 0 H GLN A 56 22.090 -22.614 -0.695 1.00 71.41 H new ATOM 0 HA GLN A 56 23.814 -22.428 -2.952 1.00 61.53 H new ATOM 0 HB2 GLN A 56 21.683 -20.558 -1.801 1.00 1.42 H new ATOM 0 HB3 GLN A 56 22.492 -20.267 -3.328 1.00 1.42 H new ATOM 0 HG2 GLN A 56 21.713 -22.502 -4.170 1.00 54.32 H new ATOM 0 HG3 GLN A 56 20.909 -22.799 -2.641 1.00 54.32 H new ATOM 0 HE21 GLN A 56 19.155 -22.891 -4.561 1.00 5.11 H new ATOM 0 HE22 GLN A 56 18.261 -21.382 -4.770 1.00 5.11 H new ATOM 914 N ARG A 57 24.665 -20.693 -0.383 1.00 54.23 N ATOM 915 CA ARG A 57 25.567 -19.664 0.161 1.00 14.45 C ATOM 916 C ARG A 57 27.037 -19.903 -0.167 1.00 42.21 C ATOM 917 O ARG A 57 27.517 -21.041 -0.155 1.00 54.43 O ATOM 918 CB ARG A 57 25.387 -19.513 1.680 1.00 41.54 C ATOM 919 CG ARG A 57 24.199 -18.587 1.987 1.00 32.25 C ATOM 920 CD ARG A 57 24.607 -17.143 1.732 1.00 32.13 C ATOM 921 NE ARG A 57 25.748 -16.793 2.570 1.00 22.13 N ATOM 922 CZ ARG A 57 26.653 -15.892 2.193 1.00 2.30 C ATOM 923 NH1 ARG A 57 26.595 -15.359 1.001 1.00 74.12 N ATOM 924 NH2 ARG A 57 27.620 -15.575 3.006 1.00 71.11 N ATOM 0 H ARG A 57 24.190 -21.254 0.324 1.00 54.23 H new ATOM 0 HA ARG A 57 25.280 -18.736 -0.334 1.00 14.45 H new ATOM 0 HB2 ARG A 57 25.221 -20.491 2.132 1.00 41.54 H new ATOM 0 HB3 ARG A 57 26.297 -19.107 2.122 1.00 41.54 H new ATOM 0 HG2 ARG A 57 23.346 -18.852 1.362 1.00 32.25 H new ATOM 0 HG3 ARG A 57 23.885 -18.711 3.024 1.00 32.25 H new ATOM 0 HD2 ARG A 57 24.862 -17.009 0.681 1.00 32.13 H new ATOM 0 HD3 ARG A 57 23.771 -16.477 1.945 1.00 32.13 H new ATOM 0 HE ARG A 57 25.856 -17.253 3.474 1.00 22.13 H new ATOM 0 HH11 ARG A 57 25.854 -15.633 0.355 1.00 74.12 H new ATOM 0 HH12 ARG A 57 27.290 -14.669 0.716 1.00 74.12 H new ATOM 0 HH21 ARG A 57 27.680 -16.016 3.924 1.00 71.11 H new ATOM 0 HH22 ARG A 57 28.317 -14.886 2.725 1.00 71.11 H new ATOM 938 N LEU A 58 27.760 -18.798 -0.335 1.00 65.05 N ATOM 939 CA LEU A 58 29.216 -18.787 -0.515 1.00 31.53 C ATOM 940 C LEU A 58 29.837 -17.867 0.521 1.00 54.55 C ATOM 941 O LEU A 58 29.130 -17.072 1.145 1.00 13.21 O ATOM 942 CB LEU A 58 29.613 -18.311 -1.919 1.00 52.33 C ATOM 943 CG LEU A 58 29.421 -19.438 -2.940 1.00 32.24 C ATOM 944 CD1 LEU A 58 27.978 -19.455 -3.442 1.00 61.12 C ATOM 945 CD2 LEU A 58 30.364 -19.214 -4.121 1.00 55.40 C ATOM 0 H LEU A 58 27.346 -17.866 -0.351 1.00 65.05 H new ATOM 0 HA LEU A 58 29.580 -19.807 -0.392 1.00 31.53 H new ATOM 0 HB2 LEU A 58 29.009 -17.449 -2.202 1.00 52.33 H new ATOM 0 HB3 LEU A 58 30.653 -17.985 -1.919 1.00 52.33 H new ATOM 0 HG LEU A 58 29.642 -20.393 -2.463 1.00 32.24 H new ATOM 0 HD11 LEU A 58 27.854 -20.260 -4.167 1.00 61.12 H new ATOM 0 HD12 LEU A 58 27.302 -19.616 -2.602 1.00 61.12 H new ATOM 0 HD13 LEU A 58 27.746 -18.501 -3.916 1.00 61.12 H new ATOM 0 HD21 LEU A 58 30.231 -20.014 -4.850 1.00 55.40 H new ATOM 0 HD22 LEU A 58 30.140 -18.255 -4.589 1.00 55.40 H new ATOM 0 HD23 LEU A 58 31.395 -19.213 -3.768 1.00 55.40 H new ATOM 957 N ALA A 59 31.143 -17.979 0.719 1.00 35.55 N ATOM 958 CA ALA A 59 31.855 -17.142 1.692 1.00 42.01 C ATOM 959 C ALA A 59 31.803 -15.662 1.305 1.00 65.22 C ATOM 960 O ALA A 59 32.834 -14.966 1.319 1.00 41.30 O ATOM 961 CB ALA A 59 33.314 -17.599 1.825 1.00 11.31 C ATOM 0 H ALA A 59 31.738 -18.641 0.221 1.00 35.55 H new ATOM 0 HA ALA A 59 31.354 -17.257 2.653 1.00 42.01 H new ATOM 0 HB1 ALA A 59 33.828 -16.968 2.550 1.00 11.31 H new ATOM 0 HB2 ALA A 59 33.341 -18.635 2.162 1.00 11.31 H new ATOM 0 HB3 ALA A 59 33.810 -17.518 0.858 1.00 11.31 H new ATOM 967 N ARG A 60 30.616 -15.184 0.962 1.00 75.14 N ATOM 968 CA ARG A 60 30.425 -13.783 0.606 1.00 23.34 C ATOM 969 C ARG A 60 29.169 -13.237 1.272 1.00 54.11 C ATOM 970 O ARG A 60 28.056 -13.553 0.864 1.00 12.14 O ATOM 971 CB ARG A 60 30.317 -13.634 -0.919 1.00 30.40 C ATOM 972 CG ARG A 60 31.030 -12.351 -1.367 1.00 11.11 C ATOM 973 CD ARG A 60 32.396 -12.725 -1.937 1.00 21.13 C ATOM 974 NE ARG A 60 33.098 -13.618 -1.009 1.00 41.43 N ATOM 975 CZ ARG A 60 34.045 -14.462 -1.417 1.00 20.23 C ATOM 976 NH1 ARG A 60 34.411 -14.480 -2.670 1.00 64.24 N ATOM 977 NH2 ARG A 60 34.608 -15.255 -0.557 1.00 14.15 N ATOM 0 H ARG A 60 29.767 -15.747 0.922 1.00 75.14 H new ATOM 0 HA ARG A 60 31.286 -13.214 0.957 1.00 23.34 H new ATOM 0 HB2 ARG A 60 30.762 -14.499 -1.411 1.00 30.40 H new ATOM 0 HB3 ARG A 60 29.269 -13.602 -1.217 1.00 30.40 H new ATOM 0 HG2 ARG A 60 30.436 -11.831 -2.119 1.00 11.11 H new ATOM 0 HG3 ARG A 60 31.146 -11.669 -0.525 1.00 11.11 H new ATOM 0 HD2 ARG A 60 32.275 -13.214 -2.904 1.00 21.13 H new ATOM 0 HD3 ARG A 60 32.987 -11.825 -2.107 1.00 21.13 H new ATOM 0 HE ARG A 60 32.853 -13.592 -0.019 1.00 41.43 H new ATOM 0 HH11 ARG A 60 33.972 -13.847 -3.339 1.00 64.24 H new ATOM 0 HH12 ARG A 60 35.136 -15.127 -2.980 1.00 64.24 H new ATOM 0 HH21 ARG A 60 34.325 -15.229 0.422 1.00 14.15 H new ATOM 0 HH22 ARG A 60 35.334 -15.904 -0.861 1.00 14.15 H new ATOM 991 N ASP A 61 29.355 -12.405 2.273 1.00 5.24 N ATOM 992 CA ASP A 61 28.243 -11.777 2.993 1.00 62.30 C ATOM 993 C ASP A 61 27.530 -10.788 2.097 1.00 23.25 C ATOM 994 O ASP A 61 26.404 -10.367 2.383 1.00 41.02 O ATOM 995 CB ASP A 61 28.762 -11.076 4.254 1.00 4.03 C ATOM 996 CG ASP A 61 29.192 -12.099 5.287 1.00 13.24 C ATOM 997 OD1 ASP A 61 28.749 -13.227 5.199 1.00 24.14 O ATOM 998 OD2 ASP A 61 29.965 -11.759 6.145 1.00 33.05 O ATOM 0 H ASP A 61 30.277 -12.138 2.619 1.00 5.24 H new ATOM 0 HA ASP A 61 27.534 -12.550 3.289 1.00 62.30 H new ATOM 0 HB2 ASP A 61 29.603 -10.431 3.999 1.00 4.03 H new ATOM 0 HB3 ASP A 61 27.983 -10.436 4.669 1.00 4.03 H new ATOM 1003 N GLN A 62 28.221 -10.377 1.052 1.00 12.52 N ATOM 1004 CA GLN A 62 27.711 -9.403 0.105 1.00 34.33 C ATOM 1005 C GLN A 62 26.572 -9.972 -0.737 1.00 44.45 C ATOM 1006 O GLN A 62 25.875 -9.227 -1.428 1.00 1.43 O ATOM 1007 CB GLN A 62 28.845 -8.900 -0.790 1.00 0.02 C ATOM 1008 CG GLN A 62 29.810 -8.058 0.051 1.00 25.23 C ATOM 1009 CD GLN A 62 31.021 -7.631 -0.773 1.00 11.12 C ATOM 1010 OE1 GLN A 62 31.130 -7.969 -1.958 1.00 1.45 O ATOM 1011 NE2 GLN A 62 31.943 -6.901 -0.223 1.00 15.21 N ATOM 0 H GLN A 62 29.159 -10.712 0.834 1.00 12.52 H new ATOM 0 HA GLN A 62 27.305 -8.565 0.672 1.00 34.33 H new ATOM 0 HB2 GLN A 62 29.373 -9.742 -1.238 1.00 0.02 H new ATOM 0 HB3 GLN A 62 28.442 -8.304 -1.609 1.00 0.02 H new ATOM 0 HG2 GLN A 62 29.294 -7.176 0.430 1.00 25.23 H new ATOM 0 HG3 GLN A 62 30.139 -8.632 0.918 1.00 25.23 H new ATOM 0 HE21 GLN A 62 31.856 -6.620 0.754 1.00 15.21 H new ATOM 0 HE22 GLN A 62 32.754 -6.608 -0.768 1.00 15.21 H new ATOM 1020 N GLU A 63 26.375 -11.285 -0.685 1.00 4.31 N ATOM 1021 CA GLU A 63 25.301 -11.892 -1.451 1.00 63.23 C ATOM 1022 C GLU A 63 23.958 -11.306 -1.071 1.00 22.23 C ATOM 1023 O GLU A 63 23.693 -11.010 0.107 1.00 10.12 O ATOM 1024 CB GLU A 63 25.243 -13.409 -1.276 1.00 4.24 C ATOM 1025 CG GLU A 63 26.443 -14.071 -1.951 1.00 13.54 C ATOM 1026 CD GLU A 63 26.337 -15.579 -1.847 1.00 55.25 C ATOM 1027 OE1 GLU A 63 25.466 -16.057 -1.143 1.00 33.23 O ATOM 1028 OE2 GLU A 63 27.096 -16.240 -2.495 1.00 51.42 O ATOM 0 H GLU A 63 26.934 -11.935 -0.132 1.00 4.31 H new ATOM 0 HA GLU A 63 25.518 -11.672 -2.496 1.00 63.23 H new ATOM 0 HB2 GLU A 63 25.232 -13.659 -0.215 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.318 -13.795 -1.704 1.00 4.24 H new ATOM 0 HG2 GLU A 63 26.489 -13.774 -2.999 1.00 13.54 H new ATOM 0 HG3 GLU A 63 27.366 -13.731 -1.482 1.00 13.54 H new ATOM 1035 N THR A 64 23.097 -11.204 -2.055 1.00 35.12 N ATOM 1036 CA THR A 64 21.751 -10.743 -1.845 1.00 71.14 C ATOM 1037 C THR A 64 20.936 -11.872 -1.233 1.00 54.02 C ATOM 1038 O THR A 64 21.326 -13.040 -1.329 1.00 2.04 O ATOM 1039 CB THR A 64 21.149 -10.321 -3.188 1.00 71.33 C ATOM 1040 OG1 THR A 64 22.200 -10.161 -4.142 1.00 5.15 O ATOM 1041 CG2 THR A 64 20.411 -9.000 -3.026 1.00 70.13 C ATOM 0 H THR A 64 23.313 -11.439 -3.024 1.00 35.12 H new ATOM 0 HA THR A 64 21.744 -9.887 -1.170 1.00 71.14 H new ATOM 0 HB THR A 64 20.451 -11.085 -3.530 1.00 71.33 H new ATOM 0 HG1 THR A 64 21.821 -9.892 -5.005 1.00 5.15 H new ATOM 0 HG21 THR A 64 19.984 -8.702 -3.983 1.00 70.13 H new ATOM 0 HG22 THR A 64 19.613 -9.117 -2.293 1.00 70.13 H new ATOM 0 HG23 THR A 64 21.107 -8.234 -2.685 1.00 70.13 H new ATOM 1049 N LEU A 65 19.813 -11.553 -0.619 1.00 11.25 N ATOM 1050 CA LEU A 65 18.998 -12.587 -0.009 1.00 22.02 C ATOM 1051 C LEU A 65 18.522 -13.546 -1.079 1.00 11.33 C ATOM 1052 O LEU A 65 18.578 -14.768 -0.907 1.00 62.22 O ATOM 1053 CB LEU A 65 17.792 -11.988 0.729 1.00 34.52 C ATOM 1054 CG LEU A 65 18.264 -11.152 1.928 1.00 14.33 C ATOM 1055 CD1 LEU A 65 17.061 -10.708 2.752 1.00 43.21 C ATOM 1056 CD2 LEU A 65 19.227 -11.949 2.810 1.00 30.03 C ATOM 0 H LEU A 65 19.448 -10.605 -0.529 1.00 11.25 H new ATOM 0 HA LEU A 65 19.607 -13.118 0.723 1.00 22.02 H new ATOM 0 HB2 LEU A 65 17.213 -11.365 0.048 1.00 34.52 H new ATOM 0 HB3 LEU A 65 17.132 -12.786 1.070 1.00 34.52 H new ATOM 0 HG LEU A 65 18.792 -10.277 1.548 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.401 -10.115 3.601 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.397 -10.106 2.132 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.524 -11.585 3.113 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.545 -11.333 3.651 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.724 -12.841 3.184 1.00 30.03 H new ATOM 0 HD23 LEU A 65 20.099 -12.242 2.225 1.00 30.03 H new ATOM 1068 N HIS A 66 18.138 -12.997 -2.220 1.00 73.23 N ATOM 1069 CA HIS A 66 17.708 -13.810 -3.345 1.00 34.14 C ATOM 1070 C HIS A 66 18.743 -14.889 -3.644 1.00 10.32 C ATOM 1071 O HIS A 66 18.400 -15.986 -4.086 1.00 1.13 O ATOM 1072 CB HIS A 66 17.485 -12.942 -4.582 1.00 25.42 C ATOM 1073 CG HIS A 66 16.684 -13.712 -5.591 1.00 52.33 C ATOM 1074 ND1 HIS A 66 17.238 -14.726 -6.359 1.00 11.11 N ATOM 1075 CD2 HIS A 66 15.373 -13.622 -5.978 1.00 15.50 C ATOM 1076 CE1 HIS A 66 16.266 -15.198 -7.162 1.00 44.55 C ATOM 1077 NE2 HIS A 66 15.110 -14.558 -6.968 1.00 53.54 N ATOM 0 H HIS A 66 18.115 -11.992 -2.391 1.00 73.23 H new ATOM 0 HA HIS A 66 16.765 -14.288 -3.081 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.962 -12.026 -4.308 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.443 -12.646 -5.010 1.00 25.42 H new ATOM 0 HD1 HIS A 66 18.203 -15.053 -6.322 1.00 11.11 H new ATOM 0 HD2 HIS A 66 14.652 -12.927 -5.573 1.00 15.50 H new ATOM 0 HE1 HIS A 66 16.404 -15.997 -7.876 1.00 44.55 H new ATOM 1086 N SER A 67 19.998 -14.609 -3.333 1.00 14.51 N ATOM 1087 CA SER A 67 21.069 -15.577 -3.539 1.00 21.22 C ATOM 1088 C SER A 67 20.772 -16.874 -2.778 1.00 5.04 C ATOM 1089 O SER A 67 21.104 -17.960 -3.241 1.00 31.30 O ATOM 1090 CB SER A 67 22.413 -14.995 -3.104 1.00 53.23 C ATOM 1091 OG SER A 67 22.413 -13.587 -3.355 1.00 52.30 O ATOM 0 H SER A 67 20.303 -13.720 -2.937 1.00 14.51 H new ATOM 0 HA SER A 67 21.125 -15.806 -4.603 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.582 -15.189 -2.045 1.00 53.23 H new ATOM 0 HB3 SER A 67 23.226 -15.475 -3.650 1.00 53.23 H new ATOM 0 HG SER A 67 22.134 -13.110 -2.545 1.00 52.30 H new ATOM 1097 N HIS A 68 20.082 -16.756 -1.642 1.00 71.23 N ATOM 1098 CA HIS A 68 19.639 -17.938 -0.888 1.00 44.15 C ATOM 1099 C HIS A 68 18.505 -18.639 -1.642 1.00 51.40 C ATOM 1100 O HIS A 68 18.136 -19.777 -1.337 1.00 71.43 O ATOM 1101 CB HIS A 68 19.198 -17.532 0.541 1.00 24.14 C ATOM 1102 CG HIS A 68 18.215 -18.532 1.113 1.00 33.13 C ATOM 1103 ND1 HIS A 68 18.482 -19.894 1.182 1.00 40.22 N ATOM 1104 CD2 HIS A 68 16.956 -18.377 1.639 1.00 74.41 C ATOM 1105 CE1 HIS A 68 17.409 -20.489 1.735 1.00 31.20 C ATOM 1106 NE2 HIS A 68 16.450 -19.611 2.026 1.00 62.11 N ATOM 0 H HIS A 68 19.818 -15.864 -1.224 1.00 71.23 H new ATOM 0 HA HIS A 68 20.470 -18.637 -0.793 1.00 44.15 H new ATOM 0 HB2 HIS A 68 20.072 -17.465 1.189 1.00 24.14 H new ATOM 0 HB3 HIS A 68 18.742 -16.542 0.517 1.00 24.14 H new ATOM 0 HD2 HIS A 68 16.436 -17.435 1.737 1.00 74.41 H new ATOM 0 HE1 HIS A 68 17.334 -21.550 1.921 1.00 31.20 H new ATOM 0 HE2 HIS A 68 15.540 -19.804 2.443 1.00 62.11 H new ATOM 1115 N GLY A 69 17.970 -17.960 -2.641 1.00 24.31 N ATOM 1116 CA GLY A 69 16.881 -18.497 -3.435 1.00 1.43 C ATOM 1117 C GLY A 69 15.549 -18.034 -2.887 1.00 24.22 C ATOM 1118 O GLY A 69 14.494 -18.463 -3.355 1.00 54.34 O ATOM 0 H GLY A 69 18.275 -17.028 -2.923 1.00 24.31 H new ATOM 0 HA2 GLY A 69 16.986 -18.176 -4.471 1.00 1.43 H new ATOM 0 HA3 GLY A 69 16.924 -19.586 -3.432 1.00 1.43 H new ATOM 1122 N VAL A 70 15.591 -17.118 -1.922 1.00 14.11 N ATOM 1123 CA VAL A 70 14.371 -16.582 -1.364 1.00 2.23 C ATOM 1124 C VAL A 70 13.787 -15.527 -2.308 1.00 63.41 C ATOM 1125 O VAL A 70 14.041 -14.326 -2.188 1.00 21.42 O ATOM 1126 CB VAL A 70 14.633 -16.027 0.057 1.00 22.03 C ATOM 1127 CG1 VAL A 70 15.901 -15.169 0.074 1.00 73.22 C ATOM 1128 CG2 VAL A 70 13.445 -15.188 0.531 1.00 4.51 C ATOM 0 H VAL A 70 16.449 -16.741 -1.520 1.00 14.11 H new ATOM 0 HA VAL A 70 13.630 -17.375 -1.265 1.00 2.23 H new ATOM 0 HB VAL A 70 14.766 -16.874 0.731 1.00 22.03 H new ATOM 0 HG11 VAL A 70 16.069 -14.788 1.081 1.00 73.22 H new ATOM 0 HG12 VAL A 70 16.754 -15.775 -0.232 1.00 73.22 H new ATOM 0 HG13 VAL A 70 15.784 -14.333 -0.616 1.00 73.22 H new ATOM 0 HG21 VAL A 70 13.646 -14.806 1.532 1.00 4.51 H new ATOM 0 HG22 VAL A 70 13.293 -14.353 -0.153 1.00 4.51 H new ATOM 0 HG23 VAL A 70 12.548 -15.807 0.552 1.00 4.51 H new ATOM 1138 N ARG A 71 13.042 -16.022 -3.274 1.00 60.24 N ATOM 1139 CA ARG A 71 12.385 -15.212 -4.287 1.00 5.14 C ATOM 1140 C ARG A 71 11.243 -14.434 -3.652 1.00 73.44 C ATOM 1141 O ARG A 71 10.891 -13.326 -4.084 1.00 42.30 O ATOM 1142 CB ARG A 71 11.806 -16.151 -5.331 1.00 72.31 C ATOM 1143 CG ARG A 71 12.931 -16.940 -5.995 1.00 42.42 C ATOM 1144 CD ARG A 71 12.319 -17.972 -6.927 1.00 13.23 C ATOM 1145 NE ARG A 71 11.516 -18.913 -6.144 1.00 43.00 N ATOM 1146 CZ ARG A 71 10.851 -19.915 -6.710 1.00 42.14 C ATOM 1147 NH1 ARG A 71 10.943 -20.111 -8.001 1.00 15.55 N ATOM 1148 NH2 ARG A 71 10.117 -20.700 -5.973 1.00 31.11 N ATOM 0 H ARG A 71 12.870 -17.022 -3.382 1.00 60.24 H new ATOM 0 HA ARG A 71 13.097 -14.518 -4.734 1.00 5.14 H new ATOM 0 HB2 ARG A 71 11.096 -16.834 -4.865 1.00 72.31 H new ATOM 0 HB3 ARG A 71 11.256 -15.582 -6.081 1.00 72.31 H new ATOM 0 HG2 ARG A 71 13.585 -16.269 -6.552 1.00 42.42 H new ATOM 0 HG3 ARG A 71 13.545 -17.430 -5.240 1.00 42.42 H new ATOM 0 HD2 ARG A 71 11.697 -17.480 -7.675 1.00 13.23 H new ATOM 0 HD3 ARG A 71 13.104 -18.505 -7.464 1.00 13.23 H new ATOM 0 HE ARG A 71 11.465 -18.796 -5.132 1.00 43.00 H new ATOM 0 HH11 ARG A 71 11.524 -19.495 -8.570 1.00 15.55 H new ATOM 0 HH12 ARG A 71 10.434 -20.879 -8.438 1.00 15.55 H new ATOM 0 HH21 ARG A 71 10.055 -20.544 -4.967 1.00 31.11 H new ATOM 0 HH22 ARG A 71 9.605 -21.470 -6.402 1.00 31.11 H new ATOM 1162 N GLN A 72 10.561 -15.107 -2.742 1.00 22.33 N ATOM 1163 CA GLN A 72 9.349 -14.597 -2.129 1.00 11.22 C ATOM 1164 C GLN A 72 9.314 -14.955 -0.657 1.00 63.41 C ATOM 1165 O GLN A 72 10.204 -15.635 -0.157 1.00 54.20 O ATOM 1166 CB GLN A 72 8.112 -15.181 -2.835 1.00 72.22 C ATOM 1167 CG GLN A 72 8.180 -16.724 -2.838 1.00 11.44 C ATOM 1168 CD GLN A 72 8.791 -17.238 -4.137 1.00 64.24 C ATOM 1169 OE1 GLN A 72 9.576 -18.186 -4.124 1.00 55.53 O ATOM 1170 NE2 GLN A 72 8.479 -16.678 -5.256 1.00 55.43 N ATOM 0 H GLN A 72 10.836 -16.030 -2.406 1.00 22.33 H new ATOM 0 HA GLN A 72 9.339 -13.512 -2.230 1.00 11.22 H new ATOM 0 HB2 GLN A 72 7.205 -14.850 -2.329 1.00 72.22 H new ATOM 0 HB3 GLN A 72 8.059 -14.810 -3.858 1.00 72.22 H new ATOM 0 HG2 GLN A 72 8.774 -17.068 -1.991 1.00 11.44 H new ATOM 0 HG3 GLN A 72 7.179 -17.137 -2.714 1.00 11.44 H new ATOM 0 HE21 GLN A 72 7.829 -15.892 -5.269 1.00 55.43 H new ATOM 0 HE22 GLN A 72 8.883 -17.021 -6.128 1.00 55.43 H new ATOM 1179 N ASN A 73 8.247 -14.563 0.007 1.00 71.53 N ATOM 1180 CA ASN A 73 8.036 -14.895 1.404 1.00 20.42 C ATOM 1181 C ASN A 73 7.805 -16.387 1.549 1.00 52.02 C ATOM 1182 O ASN A 73 7.392 -17.054 0.597 1.00 44.32 O ATOM 1183 CB ASN A 73 6.803 -14.158 1.916 1.00 43.42 C ATOM 1184 CG ASN A 73 5.607 -14.494 1.027 1.00 52.31 C ATOM 1185 OD1 ASN A 73 5.707 -14.432 -0.209 1.00 70.33 O ATOM 1186 ND2 ASN A 73 4.494 -14.848 1.564 1.00 55.51 N ATOM 0 H ASN A 73 7.500 -14.005 -0.405 1.00 71.53 H new ATOM 0 HA ASN A 73 8.916 -14.602 1.977 1.00 20.42 H new ATOM 0 HB2 ASN A 73 6.596 -14.445 2.947 1.00 43.42 H new ATOM 0 HB3 ASN A 73 6.981 -13.083 1.914 1.00 43.42 H new ATOM 0 HD21 ASN A 73 3.694 -15.078 0.975 1.00 55.51 H new ATOM 0 HD22 ASN A 73 4.411 -14.899 2.579 1.00 55.51 H new ATOM 1193 N GLY A 74 8.013 -16.897 2.745 1.00 42.33 N ATOM 1194 CA GLY A 74 7.780 -18.304 3.019 1.00 72.21 C ATOM 1195 C GLY A 74 9.068 -19.098 2.967 1.00 53.51 C ATOM 1196 O GLY A 74 9.099 -20.269 3.344 1.00 53.41 O ATOM 0 H GLY A 74 8.344 -16.359 3.546 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.323 -18.414 4.002 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.074 -18.706 2.292 1.00 72.21 H new ATOM 1200 N ASP A 75 10.145 -18.462 2.523 1.00 74.32 N ATOM 1201 CA ASP A 75 11.424 -19.144 2.476 1.00 40.23 C ATOM 1202 C ASP A 75 11.957 -19.335 3.881 1.00 33.23 C ATOM 1203 O ASP A 75 11.555 -18.632 4.816 1.00 22.31 O ATOM 1204 CB ASP A 75 12.442 -18.413 1.597 1.00 54.44 C ATOM 1205 CG ASP A 75 13.452 -19.412 1.053 1.00 32.10 C ATOM 1206 OD1 ASP A 75 14.059 -20.108 1.843 1.00 43.04 O ATOM 1207 OD2 ASP A 75 13.594 -19.484 -0.149 1.00 41.44 O ATOM 0 H ASP A 75 10.157 -17.495 2.197 1.00 74.32 H new ATOM 0 HA ASP A 75 11.264 -20.120 2.018 1.00 40.23 H new ATOM 0 HB2 ASP A 75 11.933 -17.910 0.775 1.00 54.44 H new ATOM 0 HB3 ASP A 75 12.952 -17.643 2.176 1.00 54.44 H new ATOM 1212 N SER A 76 12.781 -20.334 4.049 1.00 54.11 N ATOM 1213 CA SER A 76 13.287 -20.696 5.355 1.00 54.23 C ATOM 1214 C SER A 76 14.818 -20.719 5.343 1.00 1.51 C ATOM 1215 O SER A 76 15.431 -20.968 4.300 1.00 74.44 O ATOM 1216 CB SER A 76 12.733 -22.073 5.728 1.00 52.41 C ATOM 1217 OG SER A 76 11.438 -22.233 5.127 1.00 21.32 O ATOM 0 H SER A 76 13.123 -20.922 3.289 1.00 54.11 H new ATOM 0 HA SER A 76 12.968 -19.960 6.093 1.00 54.23 H new ATOM 0 HB2 SER A 76 13.408 -22.857 5.383 1.00 52.41 H new ATOM 0 HB3 SER A 76 12.660 -22.169 6.811 1.00 52.41 H new ATOM 0 HG SER A 76 10.839 -21.527 5.448 1.00 21.32 H new ATOM 1223 N ALA A 77 15.431 -20.435 6.488 1.00 33.13 N ATOM 1224 CA ALA A 77 16.892 -20.413 6.596 1.00 74.42 C ATOM 1225 C ALA A 77 17.356 -21.030 7.908 1.00 71.15 C ATOM 1226 O ALA A 77 16.553 -21.263 8.819 1.00 14.41 O ATOM 1227 CB ALA A 77 17.431 -18.981 6.468 1.00 5.24 C ATOM 0 H ALA A 77 14.942 -20.216 7.356 1.00 33.13 H new ATOM 0 HA ALA A 77 17.290 -21.010 5.775 1.00 74.42 H new ATOM 0 HB1 ALA A 77 18.518 -18.992 6.552 1.00 5.24 H new ATOM 0 HB2 ALA A 77 17.146 -18.570 5.499 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.013 -18.362 7.262 1.00 5.24 H new ATOM 1233 N TYR A 78 18.647 -21.300 8.003 1.00 12.02 N ATOM 1234 CA TYR A 78 19.213 -21.900 9.203 1.00 11.21 C ATOM 1235 C TYR A 78 20.345 -21.026 9.732 1.00 11.53 C ATOM 1236 O TYR A 78 21.301 -20.737 9.002 1.00 70.42 O ATOM 1237 CB TYR A 78 19.766 -23.291 8.871 1.00 33.45 C ATOM 1238 CG TYR A 78 19.385 -24.291 9.940 1.00 43.33 C ATOM 1239 CD1 TYR A 78 19.717 -24.069 11.285 1.00 21.22 C ATOM 1240 CD2 TYR A 78 18.704 -25.455 9.574 1.00 61.00 C ATOM 1241 CE1 TYR A 78 19.364 -25.016 12.254 1.00 41.13 C ATOM 1242 CE2 TYR A 78 18.352 -26.394 10.538 1.00 1.34 C ATOM 1243 CZ TYR A 78 18.680 -26.181 11.876 1.00 43.02 C ATOM 1244 OH TYR A 78 18.334 -27.124 12.821 1.00 40.42 O ATOM 0 H TYR A 78 19.325 -21.114 7.264 1.00 12.02 H new ATOM 0 HA TYR A 78 18.433 -21.985 9.960 1.00 11.21 H new ATOM 0 HB2 TYR A 78 19.380 -23.619 7.906 1.00 33.45 H new ATOM 0 HB3 TYR A 78 20.851 -23.244 8.781 1.00 33.45 H new ATOM 0 HD1 TYR A 78 20.243 -23.171 11.572 1.00 21.22 H new ATOM 0 HD2 TYR A 78 18.450 -25.626 8.538 1.00 61.00 H new ATOM 0 HE1 TYR A 78 19.618 -24.850 13.291 1.00 41.13 H new ATOM 0 HE2 TYR A 78 17.823 -27.290 10.249 1.00 1.34 H new ATOM 0 HH TYR A 78 18.538 -26.780 13.716 1.00 40.42 H new ATOM 1254 N LEU A 79 20.284 -20.670 11.009 1.00 25.24 N ATOM 1255 CA LEU A 79 21.355 -19.901 11.619 1.00 53.21 C ATOM 1256 C LEU A 79 22.157 -20.781 12.558 1.00 53.55 C ATOM 1257 O LEU A 79 21.604 -21.421 13.465 1.00 62.25 O ATOM 1258 CB LEU A 79 20.804 -18.680 12.372 1.00 53.33 C ATOM 1259 CG LEU A 79 21.957 -17.949 13.096 1.00 44.43 C ATOM 1260 CD1 LEU A 79 22.926 -17.356 12.069 1.00 75.51 C ATOM 1261 CD2 LEU A 79 21.387 -16.819 13.957 1.00 71.21 C ATOM 0 H LEU A 79 19.512 -20.900 11.635 1.00 25.24 H new ATOM 0 HA LEU A 79 22.008 -19.538 10.825 1.00 53.21 H new ATOM 0 HB2 LEU A 79 20.312 -18.002 11.674 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.051 -18.996 13.094 1.00 53.33 H new ATOM 0 HG LEU A 79 22.488 -18.662 13.726 1.00 44.43 H new ATOM 0 HD11 LEU A 79 23.736 -16.842 12.587 1.00 75.51 H new ATOM 0 HD12 LEU A 79 23.338 -18.156 11.454 1.00 75.51 H new ATOM 0 HD13 LEU A 79 22.394 -16.647 11.434 1.00 75.51 H new ATOM 0 HD21 LEU A 79 22.201 -16.304 14.467 1.00 71.21 H new ATOM 0 HD22 LEU A 79 20.852 -16.112 13.322 1.00 71.21 H new ATOM 0 HD23 LEU A 79 20.701 -17.235 14.695 1.00 71.21 H new ATOM 1273 N TYR A 80 23.452 -20.792 12.349 1.00 5.12 N ATOM 1274 CA TYR A 80 24.382 -21.555 13.156 1.00 41.02 C ATOM 1275 C TYR A 80 25.228 -20.579 13.949 1.00 42.44 C ATOM 1276 O TYR A 80 25.718 -19.588 13.397 1.00 55.24 O ATOM 1277 CB TYR A 80 25.267 -22.395 12.220 1.00 20.13 C ATOM 1278 CG TYR A 80 26.170 -23.324 12.996 1.00 72.33 C ATOM 1279 CD1 TYR A 80 25.664 -24.514 13.522 1.00 60.13 C ATOM 1280 CD2 TYR A 80 27.523 -23.008 13.161 1.00 32.42 C ATOM 1281 CE1 TYR A 80 26.509 -25.385 14.210 1.00 34.21 C ATOM 1282 CE2 TYR A 80 28.362 -23.879 13.855 1.00 4.45 C ATOM 1283 CZ TYR A 80 27.856 -25.065 14.377 1.00 1.20 C ATOM 1284 OH TYR A 80 28.689 -25.928 15.044 1.00 2.11 O ATOM 0 H TYR A 80 23.900 -20.263 11.601 1.00 5.12 H new ATOM 0 HA TYR A 80 23.858 -22.221 13.841 1.00 41.02 H new ATOM 0 HB2 TYR A 80 24.637 -22.977 11.547 1.00 20.13 H new ATOM 0 HB3 TYR A 80 25.871 -21.734 11.599 1.00 20.13 H new ATOM 0 HD1 TYR A 80 24.620 -24.760 13.396 1.00 60.13 H new ATOM 0 HD2 TYR A 80 27.917 -22.090 12.751 1.00 32.42 H new ATOM 0 HE1 TYR A 80 26.120 -26.308 14.614 1.00 34.21 H new ATOM 0 HE2 TYR A 80 29.405 -23.633 13.987 1.00 4.45 H new ATOM 0 HH TYR A 80 29.594 -25.554 15.070 1.00 2.11 H new ATOM 1294 N LEU A 81 25.313 -20.786 15.251 1.00 0.03 N ATOM 1295 CA LEU A 81 26.036 -19.857 16.108 1.00 31.14 C ATOM 1296 C LEU A 81 27.322 -20.463 16.617 1.00 52.43 C ATOM 1297 O LEU A 81 27.340 -21.596 17.119 1.00 25.33 O ATOM 1298 CB LEU A 81 25.165 -19.396 17.282 1.00 11.44 C ATOM 1299 CG LEU A 81 23.930 -18.650 16.748 1.00 63.32 C ATOM 1300 CD1 LEU A 81 23.017 -18.259 17.913 1.00 74.33 C ATOM 1301 CD2 LEU A 81 24.370 -17.377 16.009 1.00 62.13 C ATOM 0 H LEU A 81 24.896 -21.580 15.736 1.00 0.03 H new ATOM 0 HA LEU A 81 26.287 -18.987 15.502 1.00 31.14 H new ATOM 0 HB2 LEU A 81 24.854 -20.255 17.876 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.740 -18.744 17.940 1.00 11.44 H new ATOM 0 HG LEU A 81 23.392 -19.305 16.063 1.00 63.32 H new ATOM 0 HD11 LEU A 81 22.144 -17.731 17.530 1.00 74.33 H new ATOM 0 HD12 LEU A 81 22.695 -19.157 18.440 1.00 74.33 H new ATOM 0 HD13 LEU A 81 23.561 -17.610 18.600 1.00 74.33 H new ATOM 0 HD21 LEU A 81 23.492 -16.853 15.633 1.00 62.13 H new ATOM 0 HD22 LEU A 81 24.914 -16.728 16.695 1.00 62.13 H new ATOM 0 HD23 LEU A 81 25.017 -17.646 15.174 1.00 62.13 H new ATOM 1313 N LEU A 82 28.383 -19.695 16.515 1.00 41.20 N ATOM 1314 CA LEU A 82 29.690 -20.108 17.006 1.00 33.24 C ATOM 1315 C LEU A 82 29.851 -19.652 18.439 1.00 52.35 C ATOM 1316 O LEU A 82 29.495 -18.527 18.769 1.00 61.23 O ATOM 1317 CB LEU A 82 30.809 -19.478 16.161 1.00 34.41 C ATOM 1318 CG LEU A 82 30.896 -20.139 14.770 1.00 5.31 C ATOM 1319 CD1 LEU A 82 30.963 -21.661 14.897 1.00 4.22 C ATOM 1320 CD2 LEU A 82 29.680 -19.751 13.930 1.00 74.54 C ATOM 0 H LEU A 82 28.371 -18.767 16.091 1.00 41.20 H new ATOM 0 HA LEU A 82 29.759 -21.194 16.940 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.626 -18.409 16.048 1.00 34.41 H new ATOM 0 HB3 LEU A 82 31.763 -19.585 16.678 1.00 34.41 H new ATOM 0 HG LEU A 82 31.804 -19.787 14.281 1.00 5.31 H new ATOM 0 HD11 LEU A 82 31.024 -22.107 13.904 1.00 4.22 H new ATOM 0 HD12 LEU A 82 31.845 -21.939 15.474 1.00 4.22 H new ATOM 0 HD13 LEU A 82 30.068 -22.024 15.403 1.00 4.22 H new ATOM 0 HD21 LEU A 82 29.750 -20.222 12.950 1.00 74.54 H new ATOM 0 HD22 LEU A 82 28.771 -20.086 14.430 1.00 74.54 H new ATOM 0 HD23 LEU A 82 29.651 -18.668 13.811 1.00 74.54 H new ATOM 1332 N SER A 83 30.420 -20.488 19.274 1.00 72.52 N ATOM 1333 CA SER A 83 30.666 -20.102 20.647 1.00 14.32 C ATOM 1334 C SER A 83 31.699 -18.980 20.683 1.00 12.51 C ATOM 1335 O SER A 83 32.900 -19.227 20.516 1.00 43.32 O ATOM 1336 CB SER A 83 31.158 -21.306 21.447 1.00 65.22 C ATOM 1337 OG SER A 83 31.125 -22.469 20.615 1.00 63.53 O ATOM 0 H SER A 83 30.720 -21.432 19.032 1.00 72.52 H new ATOM 0 HA SER A 83 29.739 -19.745 21.095 1.00 14.32 H new ATOM 0 HB2 SER A 83 32.172 -21.130 21.806 1.00 65.22 H new ATOM 0 HB3 SER A 83 30.530 -21.455 22.326 1.00 65.22 H new ATOM 0 HG SER A 83 31.442 -23.244 21.124 1.00 63.53 H new ATOM 1343 N ALA A 84 31.227 -17.752 20.808 1.00 2.42 N ATOM 1344 CA ALA A 84 32.098 -16.582 20.788 1.00 12.40 C ATOM 1345 C ALA A 84 31.351 -15.368 21.291 1.00 24.54 C ATOM 1346 O ALA A 84 30.183 -15.468 21.677 1.00 65.31 O ATOM 1347 CB ALA A 84 32.603 -16.318 19.368 1.00 41.54 C ATOM 0 H ALA A 84 30.237 -17.535 20.926 1.00 2.42 H new ATOM 0 HA ALA A 84 32.950 -16.776 21.439 1.00 12.40 H new ATOM 0 HB1 ALA A 84 33.252 -15.442 19.369 1.00 41.54 H new ATOM 0 HB2 ALA A 84 33.163 -17.184 19.014 1.00 41.54 H new ATOM 0 HB3 ALA A 84 31.755 -16.140 18.707 1.00 41.54 H new ATOM 1353 N ARG A 85 32.014 -14.224 21.262 1.00 20.43 N ATOM 1354 CA ARG A 85 31.392 -12.971 21.657 1.00 2.21 C ATOM 1355 C ARG A 85 31.853 -11.860 20.735 1.00 70.24 C ATOM 1356 O ARG A 85 32.953 -11.931 20.186 1.00 2.14 O ATOM 1357 CB ARG A 85 31.765 -12.603 23.091 1.00 3.12 C ATOM 1358 CG ARG A 85 31.346 -13.718 24.050 1.00 73.00 C ATOM 1359 CD ARG A 85 31.530 -13.227 25.484 1.00 4.44 C ATOM 1360 NE ARG A 85 30.405 -12.371 25.847 1.00 10.23 N ATOM 1361 CZ ARG A 85 30.538 -11.191 26.456 1.00 63.44 C ATOM 1362 NH1 ARG A 85 31.726 -10.684 26.688 1.00 54.33 N ATOM 1363 NH2 ARG A 85 29.468 -10.534 26.797 1.00 55.53 N ATOM 0 H ARG A 85 32.987 -14.137 20.968 1.00 20.43 H new ATOM 0 HA ARG A 85 30.311 -13.095 21.592 1.00 2.21 H new ATOM 0 HB2 ARG A 85 32.840 -12.436 23.163 1.00 3.12 H new ATOM 0 HB3 ARG A 85 31.278 -11.669 23.373 1.00 3.12 H new ATOM 0 HG2 ARG A 85 30.306 -13.995 23.876 1.00 73.00 H new ATOM 0 HG3 ARG A 85 31.947 -14.611 23.877 1.00 73.00 H new ATOM 0 HD2 ARG A 85 31.592 -14.075 26.166 1.00 4.44 H new ATOM 0 HD3 ARG A 85 32.466 -12.676 25.575 1.00 4.44 H new ATOM 0 HE ARG A 85 29.464 -12.693 25.622 1.00 10.23 H new ATOM 0 HH11 ARG A 85 32.562 -11.193 26.402 1.00 54.33 H new ATOM 0 HH12 ARG A 85 31.813 -9.781 27.154 1.00 54.33 H new ATOM 0 HH21 ARG A 85 28.546 -10.922 26.598 1.00 55.53 H new ATOM 0 HH22 ARG A 85 29.551 -9.631 27.263 1.00 55.53 H new ATOM 1377 N ASN A 86 31.076 -10.792 20.656 1.00 72.42 N ATOM 1378 CA ASN A 86 31.493 -9.604 19.910 1.00 43.42 C ATOM 1379 C ASN A 86 32.492 -8.819 20.737 1.00 13.12 C ATOM 1380 O ASN A 86 32.481 -8.903 21.970 1.00 21.14 O ATOM 1381 CB ASN A 86 30.299 -8.700 19.594 1.00 53.32 C ATOM 1382 CG ASN A 86 30.768 -7.505 18.762 1.00 11.41 C ATOM 1383 OD1 ASN A 86 31.762 -7.604 18.041 1.00 50.23 O ATOM 1384 ND2 ASN A 86 30.118 -6.383 18.816 1.00 4.31 N ATOM 0 H ASN A 86 30.158 -10.718 21.094 1.00 72.42 H new ATOM 0 HA ASN A 86 31.942 -9.932 18.972 1.00 43.42 H new ATOM 0 HB2 ASN A 86 29.540 -9.260 19.049 1.00 53.32 H new ATOM 0 HB3 ASN A 86 29.837 -8.354 20.519 1.00 53.32 H new ATOM 0 HD21 ASN A 86 30.430 -5.585 18.262 1.00 4.31 H new ATOM 0 HD22 ASN A 86 29.295 -6.299 19.412 1.00 4.31 H new ATOM 1391 N THR A 87 33.320 -8.031 20.082 1.00 54.54 N ATOM 1392 CA THR A 87 34.280 -7.222 20.798 1.00 5.51 C ATOM 1393 C THR A 87 33.521 -6.277 21.726 1.00 42.40 C ATOM 1394 O THR A 87 32.634 -5.547 21.282 1.00 24.33 O ATOM 1395 CB THR A 87 35.109 -6.405 19.799 1.00 0.04 C ATOM 1396 OG1 THR A 87 35.435 -7.229 18.681 1.00 73.02 O ATOM 1397 CG2 THR A 87 36.409 -5.939 20.466 1.00 13.21 C ATOM 0 H THR A 87 33.347 -7.935 19.067 1.00 54.54 H new ATOM 0 HA THR A 87 34.948 -7.859 21.378 1.00 5.51 H new ATOM 0 HB THR A 87 34.533 -5.538 19.474 1.00 0.04 H new ATOM 0 HG1 THR A 87 35.964 -6.713 18.037 1.00 73.02 H new ATOM 0 HG21 THR A 87 36.996 -5.359 19.754 1.00 13.21 H new ATOM 0 HG22 THR A 87 36.172 -5.319 21.331 1.00 13.21 H new ATOM 0 HG23 THR A 87 36.984 -6.807 20.788 1.00 13.21 H new ATOM 1405 N SER A 88 33.839 -6.313 23.007 1.00 41.20 N ATOM 1406 CA SER A 88 33.145 -5.468 23.958 1.00 14.24 C ATOM 1407 C SER A 88 33.633 -4.032 23.826 1.00 53.12 C ATOM 1408 O SER A 88 34.839 -3.784 23.727 1.00 13.03 O ATOM 1409 CB SER A 88 33.387 -5.962 25.382 1.00 12.31 C ATOM 1410 OG SER A 88 33.425 -7.398 25.385 1.00 52.20 O ATOM 0 H SER A 88 34.563 -6.909 23.408 1.00 41.20 H new ATOM 0 HA SER A 88 32.077 -5.509 23.746 1.00 14.24 H new ATOM 0 HB2 SER A 88 34.326 -5.561 25.764 1.00 12.31 H new ATOM 0 HB3 SER A 88 32.596 -5.606 26.042 1.00 12.31 H new ATOM 0 HG SER A 88 33.582 -7.719 26.297 1.00 52.20 H new ATOM 1416 N LEU A 89 32.719 -3.095 23.905 1.00 11.45 N ATOM 1417 CA LEU A 89 33.070 -1.687 23.880 1.00 2.42 C ATOM 1418 C LEU A 89 33.908 -1.343 25.104 1.00 41.41 C ATOM 1419 O LEU A 89 34.812 -0.505 25.042 1.00 23.42 O ATOM 1420 CB LEU A 89 31.809 -0.814 23.818 1.00 31.31 C ATOM 1421 CG LEU A 89 31.101 -1.026 22.465 1.00 52.24 C ATOM 1422 CD1 LEU A 89 29.771 -0.274 22.443 1.00 72.30 C ATOM 1423 CD2 LEU A 89 31.986 -0.520 21.320 1.00 73.01 C ATOM 0 H LEU A 89 31.719 -3.279 23.988 1.00 11.45 H new ATOM 0 HA LEU A 89 33.658 -1.486 22.985 1.00 2.42 H new ATOM 0 HB2 LEU A 89 31.136 -1.070 24.636 1.00 31.31 H new ATOM 0 HB3 LEU A 89 32.075 0.236 23.941 1.00 31.31 H new ATOM 0 HG LEU A 89 30.916 -2.092 22.336 1.00 52.24 H new ATOM 0 HD11 LEU A 89 29.280 -0.431 21.483 1.00 72.30 H new ATOM 0 HD12 LEU A 89 29.130 -0.645 23.243 1.00 72.30 H new ATOM 0 HD13 LEU A 89 29.953 0.791 22.588 1.00 72.30 H new ATOM 0 HD21 LEU A 89 31.475 -0.675 20.370 1.00 73.01 H new ATOM 0 HD22 LEU A 89 32.184 0.543 21.456 1.00 73.01 H new ATOM 0 HD23 LEU A 89 32.928 -1.068 21.319 1.00 73.01 H new ATOM 1435 N ASN A 90 33.546 -1.945 26.230 1.00 22.24 N ATOM 1436 CA ASN A 90 34.211 -1.706 27.514 1.00 13.40 C ATOM 1437 C ASN A 90 35.682 -2.118 27.458 1.00 13.42 C ATOM 1438 O ASN A 90 35.948 -3.297 27.485 1.00 53.14 O ATOM 1439 CB ASN A 90 33.506 -2.489 28.635 1.00 14.11 C ATOM 1440 CG ASN A 90 32.056 -2.031 28.799 1.00 13.14 C ATOM 1441 OD1 ASN A 90 31.654 -0.933 28.243 1.00 72.21 O flip ATOM 1442 ND2 ASN A 90 31.264 -2.707 29.459 1.00 54.13 N flip ATOM 1443 OXT ASN A 90 36.520 -1.251 27.399 1.00 13.42 O ATOM 0 H ASN A 90 32.780 -2.616 26.283 1.00 22.24 H new ATOM 0 HA ASN A 90 34.154 -0.638 27.723 1.00 13.40 H new ATOM 0 HB2 ASN A 90 33.530 -3.555 28.409 1.00 14.11 H new ATOM 0 HB3 ASN A 90 34.043 -2.350 29.573 1.00 14.11 H new ATOM 0 HD21 ASN A 90 31.576 -3.573 29.899 1.00 54.13 H new ATOM 0 HD22 ASN A 90 30.297 -2.401 29.565 1.00 54.13 H new TER 1450 ASN A 90