USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 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 84 HIS : no HD1:sc= -0.258 X(o=-0.72,f=-0.5) USER MOD Set 1.2: A 85 SER OG : rot -100:sc= -0.46 USER MOD Set 2.1: A 46 LYS NZ :NH3+ 175:sc= -0.474 (180deg=-0.534) USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc=-0.00192 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= -0.142 (180deg=-0.867) USER MOD Single : A 2 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -130:sc= -0.938 USER MOD Single : A 31 THR OG1 : rot 154:sc= 0.281 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= -0.392 F(o=-1.4,f=-0.39) USER MOD Single : A 37 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 149:sc= -1.63 (180deg=-2.39!) USER MOD Single : A 60 MET CE :methyl 177:sc= -1.48 (180deg=-1.58) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.56 X(o=-2.6,f=-2.2) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -3.69! X(o=-3.7!,f=-3.3) USER MOD Single : A 75 MET CE :methyl -129:sc= -0.179 (180deg=-0.896) USER MOD Single : A 81 MET CE :methyl -145:sc= -0.6 (180deg=-3.21!) USER MOD Single : A 82 THR OG1 : rot -140:sc= 0.226 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.245 K(o=-0.25,f=-2.6!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot -119:sc= 0.307 USER MOD Single : A 104 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0216) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=-0.12) USER MOD Single : A 122 TYR OH : rot 124:sc= 0.0249 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.131 0.531 -5.950 1.00 25.44 N ATOM 2 CA MET A 1 0.493 0.671 -4.646 1.00 4.02 C ATOM 3 C MET A 1 1.077 1.854 -3.879 1.00 62.34 C ATOM 4 O MET A 1 2.183 1.773 -3.345 1.00 71.13 O ATOM 5 CB MET A 1 0.661 -0.613 -3.831 1.00 5.20 C ATOM 6 CG MET A 1 0.021 -1.831 -4.477 1.00 2.21 C ATOM 7 SD MET A 1 0.842 -3.370 -4.022 1.00 64.33 S ATOM 8 CE MET A 1 0.204 -3.619 -2.367 1.00 43.43 C ATOM 0 H1 MET A 1 0.450 0.135 -6.629 1.00 25.44 H new ATOM 0 H2 MET A 1 1.449 1.464 -6.283 1.00 25.44 H new ATOM 0 H3 MET A 1 1.949 -0.106 -5.869 1.00 25.44 H new ATOM 0 HA MET A 1 -0.569 0.854 -4.807 1.00 4.02 H new ATOM 0 HB2 MET A 1 1.724 -0.805 -3.686 1.00 5.20 H new ATOM 0 HB3 MET A 1 0.226 -0.466 -2.842 1.00 5.20 H new ATOM 0 HG2 MET A 1 -1.028 -1.883 -4.185 1.00 2.21 H new ATOM 0 HG3 MET A 1 0.045 -1.717 -5.561 1.00 2.21 H new ATOM 0 HE1 MET A 1 0.622 -4.535 -1.950 1.00 43.43 H new ATOM 0 HE2 MET A 1 0.484 -2.774 -1.738 1.00 43.43 H new ATOM 0 HE3 MET A 1 -0.882 -3.700 -2.404 1.00 43.43 H new ATOM 18 N GLN A 2 0.327 2.950 -3.831 1.00 21.24 N ATOM 19 CA GLN A 2 0.772 4.149 -3.130 1.00 61.21 C ATOM 20 C GLN A 2 -0.416 4.932 -2.583 1.00 14.30 C ATOM 21 O GLN A 2 -0.972 5.793 -3.266 1.00 33.23 O ATOM 22 CB GLN A 2 1.596 5.036 -4.066 1.00 34.43 C ATOM 23 CG GLN A 2 2.100 6.310 -3.408 1.00 41.14 C ATOM 24 CD GLN A 2 3.407 6.795 -4.003 1.00 43.52 C ATOM 25 OE1 GLN A 2 4.251 5.997 -4.411 1.00 43.23 O ATOM 26 NE2 GLN A 2 3.582 8.111 -4.056 1.00 32.23 N ATOM 0 H GLN A 2 -0.591 3.033 -4.269 1.00 21.24 H new ATOM 0 HA GLN A 2 1.396 3.839 -2.292 1.00 61.21 H new ATOM 0 HB2 GLN A 2 2.448 4.466 -4.436 1.00 34.43 H new ATOM 0 HB3 GLN A 2 0.988 5.300 -4.932 1.00 34.43 H new ATOM 0 HG2 GLN A 2 1.346 7.091 -3.511 1.00 41.14 H new ATOM 0 HG3 GLN A 2 2.234 6.135 -2.340 1.00 41.14 H new ATOM 0 HE21 GLN A 2 2.856 8.737 -3.706 1.00 32.23 H new ATOM 0 HE22 GLN A 2 4.442 8.496 -4.446 1.00 32.23 H new ATOM 35 N ARG A 3 -0.801 4.628 -1.348 1.00 11.33 N ATOM 36 CA ARG A 3 -1.925 5.303 -0.710 1.00 1.24 C ATOM 37 C ARG A 3 -2.070 4.861 0.744 1.00 54.34 C ATOM 38 O ARG A 3 -1.491 3.859 1.159 1.00 5.15 O ATOM 39 CB ARG A 3 -3.219 5.017 -1.473 1.00 33.01 C ATOM 40 CG ARG A 3 -4.294 6.071 -1.266 1.00 53.51 C ATOM 41 CD ARG A 3 -5.336 5.615 -0.256 1.00 64.13 C ATOM 42 NE ARG A 3 -6.609 5.288 -0.893 1.00 23.22 N ATOM 43 CZ ARG A 3 -7.474 6.202 -1.318 1.00 30.42 C ATOM 44 NH1 ARG A 3 -7.204 7.492 -1.175 1.00 72.12 N ATOM 45 NH2 ARG A 3 -8.612 5.825 -1.887 1.00 41.44 N ATOM 0 H ARG A 3 -0.351 3.919 -0.769 1.00 11.33 H new ATOM 0 HA ARG A 3 -1.731 6.375 -0.728 1.00 1.24 H new ATOM 0 HB2 ARG A 3 -2.995 4.943 -2.537 1.00 33.01 H new ATOM 0 HB3 ARG A 3 -3.608 4.048 -1.161 1.00 33.01 H new ATOM 0 HG2 ARG A 3 -3.835 6.998 -0.923 1.00 53.51 H new ATOM 0 HG3 ARG A 3 -4.779 6.289 -2.217 1.00 53.51 H new ATOM 0 HD2 ARG A 3 -4.964 4.742 0.280 1.00 64.13 H new ATOM 0 HD3 ARG A 3 -5.492 6.400 0.484 1.00 64.13 H new ATOM 0 HE ARG A 3 -6.847 4.304 -1.018 1.00 23.22 H new ATOM 0 HH11 ARG A 3 -6.330 7.785 -0.738 1.00 72.12 H new ATOM 0 HH12 ARG A 3 -7.870 8.192 -1.502 1.00 72.12 H new ATOM 0 HH21 ARG A 3 -8.823 4.833 -1.998 1.00 41.44 H new ATOM 0 HH22 ARG A 3 -9.276 6.527 -2.213 1.00 41.44 H new ATOM 59 N GLY A 4 -2.849 5.617 1.512 1.00 50.52 N ATOM 60 CA GLY A 4 -3.056 5.288 2.910 1.00 51.31 C ATOM 61 C GLY A 4 -3.632 6.447 3.699 1.00 10.23 C ATOM 62 O GLY A 4 -3.568 7.597 3.262 1.00 34.34 O ATOM 0 H GLY A 4 -3.340 6.451 1.191 1.00 50.52 H new ATOM 0 HA2 GLY A 4 -3.728 4.433 2.983 1.00 51.31 H new ATOM 0 HA3 GLY A 4 -2.107 4.986 3.354 1.00 51.31 H new ATOM 66 N ILE A 5 -4.197 6.145 4.863 1.00 1.34 N ATOM 67 CA ILE A 5 -4.787 7.171 5.714 1.00 2.15 C ATOM 68 C ILE A 5 -3.712 8.067 6.321 1.00 33.12 C ATOM 69 O ILE A 5 -2.857 7.605 7.076 1.00 20.34 O ATOM 70 CB ILE A 5 -5.622 6.549 6.849 1.00 2.34 C ATOM 71 CG1 ILE A 5 -6.868 5.867 6.281 1.00 44.04 C ATOM 72 CG2 ILE A 5 -6.011 7.613 7.865 1.00 41.32 C ATOM 73 CD1 ILE A 5 -7.765 5.267 7.340 1.00 21.13 C ATOM 0 H ILE A 5 -4.259 5.199 5.238 1.00 1.34 H new ATOM 0 HA ILE A 5 -5.440 7.770 5.080 1.00 2.15 H new ATOM 0 HB ILE A 5 -5.017 5.796 7.354 1.00 2.34 H new ATOM 0 HG12 ILE A 5 -7.438 6.594 5.703 1.00 44.04 H new ATOM 0 HG13 ILE A 5 -6.560 5.082 5.591 1.00 44.04 H new ATOM 0 HG21 ILE A 5 -6.601 7.158 8.661 1.00 41.32 H new ATOM 0 HG22 ILE A 5 -5.111 8.057 8.289 1.00 41.32 H new ATOM 0 HG23 ILE A 5 -6.601 8.387 7.374 1.00 41.32 H new ATOM 0 HD11 ILE A 5 -8.628 4.801 6.864 1.00 21.13 H new ATOM 0 HD12 ILE A 5 -7.211 4.516 7.903 1.00 21.13 H new ATOM 0 HD13 ILE A 5 -8.104 6.051 8.017 1.00 21.13 H new ATOM 85 N VAL A 6 -3.763 9.353 5.987 1.00 72.51 N ATOM 86 CA VAL A 6 -2.796 10.315 6.501 1.00 70.01 C ATOM 87 C VAL A 6 -3.457 11.299 7.460 1.00 44.24 C ATOM 88 O VAL A 6 -4.135 12.235 7.035 1.00 63.32 O ATOM 89 CB VAL A 6 -2.124 11.100 5.359 1.00 52.13 C ATOM 90 CG1 VAL A 6 -0.964 11.928 5.890 1.00 51.10 C ATOM 91 CG2 VAL A 6 -1.656 10.152 4.265 1.00 55.45 C ATOM 0 H VAL A 6 -4.464 9.752 5.363 1.00 72.51 H new ATOM 0 HA VAL A 6 -2.036 9.745 7.036 1.00 70.01 H new ATOM 0 HB VAL A 6 -2.858 11.781 4.929 1.00 52.13 H new ATOM 0 HG11 VAL A 6 -0.502 12.475 5.069 1.00 51.10 H new ATOM 0 HG12 VAL A 6 -1.332 12.634 6.635 1.00 51.10 H new ATOM 0 HG13 VAL A 6 -0.226 11.269 6.348 1.00 51.10 H new ATOM 0 HG21 VAL A 6 -1.184 10.723 3.466 1.00 55.45 H new ATOM 0 HG22 VAL A 6 -0.937 9.445 4.679 1.00 55.45 H new ATOM 0 HG23 VAL A 6 -2.511 9.608 3.865 1.00 55.45 H new ATOM 101 N TRP A 7 -3.254 11.082 8.754 1.00 45.21 N ATOM 102 CA TRP A 7 -3.829 11.951 9.774 1.00 54.20 C ATOM 103 C TRP A 7 -2.777 12.899 10.338 1.00 14.45 C ATOM 104 O TRP A 7 -1.823 12.469 10.987 1.00 74.13 O ATOM 105 CB TRP A 7 -4.438 11.115 10.901 1.00 3.22 C ATOM 106 CG TRP A 7 -5.738 10.471 10.528 1.00 55.15 C ATOM 107 CD1 TRP A 7 -6.320 10.455 9.292 1.00 11.30 C ATOM 108 CD2 TRP A 7 -6.619 9.751 11.397 1.00 12.30 C ATOM 109 NE1 TRP A 7 -7.510 9.769 9.341 1.00 5.11 N ATOM 110 CE2 TRP A 7 -7.715 9.326 10.621 1.00 53.41 C ATOM 111 CE3 TRP A 7 -6.588 9.423 12.755 1.00 63.52 C ATOM 112 CZ2 TRP A 7 -8.768 8.592 11.160 1.00 73.13 C ATOM 113 CZ3 TRP A 7 -7.634 8.694 13.288 1.00 23.31 C ATOM 114 CH2 TRP A 7 -8.712 8.284 12.492 1.00 45.11 C ATOM 0 H TRP A 7 -2.696 10.312 9.122 1.00 45.21 H new ATOM 0 HA TRP A 7 -4.614 12.546 9.308 1.00 54.20 H new ATOM 0 HB2 TRP A 7 -3.728 10.341 11.194 1.00 3.22 H new ATOM 0 HB3 TRP A 7 -4.593 11.751 11.772 1.00 3.22 H new ATOM 0 HD1 TRP A 7 -5.906 10.914 8.406 1.00 11.30 H new ATOM 0 HE1 TRP A 7 -8.138 9.615 8.552 1.00 5.11 H new ATOM 0 HE3 TRP A 7 -5.761 9.734 13.377 1.00 63.52 H new ATOM 0 HZ2 TRP A 7 -9.600 8.277 10.548 1.00 73.13 H new ATOM 0 HZ3 TRP A 7 -7.620 8.436 14.337 1.00 23.31 H new ATOM 0 HH2 TRP A 7 -9.514 7.714 12.938 1.00 45.11 H new ATOM 125 N VAL A 8 -2.957 14.193 10.088 1.00 32.45 N ATOM 126 CA VAL A 8 -2.024 15.202 10.573 1.00 25.04 C ATOM 127 C VAL A 8 -2.731 16.229 11.451 1.00 70.25 C ATOM 128 O VAL A 8 -3.520 17.039 10.964 1.00 44.13 O ATOM 129 CB VAL A 8 -1.329 15.930 9.407 1.00 11.55 C ATOM 130 CG1 VAL A 8 -0.394 17.009 9.933 1.00 51.23 C ATOM 131 CG2 VAL A 8 -0.575 14.939 8.534 1.00 53.22 C ATOM 0 H VAL A 8 -3.741 14.566 9.552 1.00 32.45 H new ATOM 0 HA VAL A 8 -1.272 14.680 11.165 1.00 25.04 H new ATOM 0 HB VAL A 8 -2.092 16.411 8.795 1.00 11.55 H new ATOM 0 HG11 VAL A 8 0.088 17.513 9.095 1.00 51.23 H new ATOM 0 HG12 VAL A 8 -0.965 17.734 10.513 1.00 51.23 H new ATOM 0 HG13 VAL A 8 0.366 16.554 10.569 1.00 51.23 H new ATOM 0 HG21 VAL A 8 -0.090 15.471 7.715 1.00 53.22 H new ATOM 0 HG22 VAL A 8 0.180 14.428 9.132 1.00 53.22 H new ATOM 0 HG23 VAL A 8 -1.273 14.207 8.128 1.00 53.22 H new ATOM 141 N VAL A 9 -2.443 16.189 12.748 1.00 54.42 N ATOM 142 CA VAL A 9 -3.051 17.118 13.694 1.00 63.30 C ATOM 143 C VAL A 9 -2.078 18.227 14.077 1.00 43.11 C ATOM 144 O VAL A 9 -1.098 17.991 14.784 1.00 13.05 O ATOM 145 CB VAL A 9 -3.515 16.393 14.972 1.00 43.34 C ATOM 146 CG1 VAL A 9 -2.359 15.632 15.604 1.00 53.24 C ATOM 147 CG2 VAL A 9 -4.114 17.384 15.958 1.00 41.53 C ATOM 0 H VAL A 9 -1.793 15.524 13.168 1.00 54.42 H new ATOM 0 HA VAL A 9 -3.918 17.555 13.197 1.00 63.30 H new ATOM 0 HB VAL A 9 -4.287 15.673 14.701 1.00 43.34 H new ATOM 0 HG11 VAL A 9 -2.706 15.126 16.505 1.00 53.24 H new ATOM 0 HG12 VAL A 9 -1.979 14.894 14.897 1.00 53.24 H new ATOM 0 HG13 VAL A 9 -1.562 16.330 15.863 1.00 53.24 H new ATOM 0 HG21 VAL A 9 -4.437 16.855 16.855 1.00 41.53 H new ATOM 0 HG22 VAL A 9 -3.365 18.129 16.226 1.00 41.53 H new ATOM 0 HG23 VAL A 9 -4.971 17.879 15.501 1.00 41.53 H new ATOM 157 N ASP A 10 -2.354 19.438 13.605 1.00 34.32 N ATOM 158 CA ASP A 10 -1.504 20.586 13.899 1.00 34.43 C ATOM 159 C ASP A 10 -2.275 21.891 13.727 1.00 62.25 C ATOM 160 O ASP A 10 -3.228 21.962 12.951 1.00 52.41 O ATOM 161 CB ASP A 10 -0.273 20.582 12.992 1.00 74.54 C ATOM 162 CG ASP A 10 -0.573 21.123 11.607 1.00 21.35 C ATOM 163 OD1 ASP A 10 -0.983 20.328 10.735 1.00 11.23 O ATOM 164 OD2 ASP A 10 -0.398 22.341 11.397 1.00 71.15 O ATOM 0 H ASP A 10 -3.160 19.650 13.017 1.00 34.32 H new ATOM 0 HA ASP A 10 -1.180 20.511 14.937 1.00 34.43 H new ATOM 0 HB2 ASP A 10 0.514 21.181 13.450 1.00 74.54 H new ATOM 0 HB3 ASP A 10 0.109 19.565 12.907 1.00 74.54 H new ATOM 169 N ASP A 11 -1.856 22.920 14.455 1.00 60.22 N ATOM 170 CA ASP A 11 -2.507 24.223 14.382 1.00 5.03 C ATOM 171 C ASP A 11 -1.623 25.232 13.656 1.00 63.14 C ATOM 172 O ASP A 11 -0.807 25.917 14.274 1.00 74.41 O ATOM 173 CB ASP A 11 -2.834 24.732 15.787 1.00 53.01 C ATOM 174 CG ASP A 11 -4.326 24.874 16.018 1.00 41.54 C ATOM 175 OD1 ASP A 11 -4.935 25.784 15.416 1.00 35.22 O ATOM 176 OD2 ASP A 11 -4.884 24.076 16.799 1.00 41.22 O ATOM 0 H ASP A 11 -1.069 22.877 15.102 1.00 60.22 H new ATOM 0 HA ASP A 11 -3.434 24.108 13.820 1.00 5.03 H new ATOM 0 HB2 ASP A 11 -2.419 24.046 16.525 1.00 53.01 H new ATOM 0 HB3 ASP A 11 -2.352 25.697 15.942 1.00 53.01 H new ATOM 181 N ASP A 12 -1.789 25.317 12.340 1.00 13.25 N ATOM 182 CA ASP A 12 -1.007 26.242 11.529 1.00 3.40 C ATOM 183 C ASP A 12 -1.405 26.147 10.059 1.00 24.54 C ATOM 184 O ASP A 12 -1.250 25.099 9.431 1.00 13.23 O ATOM 185 CB ASP A 12 0.487 25.954 11.686 1.00 61.43 C ATOM 186 CG ASP A 12 1.291 27.206 11.975 1.00 24.44 C ATOM 187 OD1 ASP A 12 1.088 28.217 11.272 1.00 62.11 O ATOM 188 OD2 ASP A 12 2.125 27.174 12.905 1.00 31.22 O ATOM 0 H ASP A 12 -2.458 24.756 11.813 1.00 13.25 H new ATOM 0 HA ASP A 12 -1.212 27.254 11.877 1.00 3.40 H new ATOM 0 HB2 ASP A 12 0.633 25.238 12.494 1.00 61.43 H new ATOM 0 HB3 ASP A 12 0.862 25.487 10.775 1.00 61.43 H new ATOM 193 N SER A 13 -1.918 27.246 9.518 1.00 54.32 N ATOM 194 CA SER A 13 -2.343 27.285 8.123 1.00 32.14 C ATOM 195 C SER A 13 -1.178 26.966 7.191 1.00 10.44 C ATOM 196 O SER A 13 -1.377 26.552 6.050 1.00 73.14 O ATOM 197 CB SER A 13 -2.923 28.659 7.783 1.00 42.14 C ATOM 198 OG SER A 13 -4.262 28.550 7.331 1.00 45.30 O ATOM 0 H SER A 13 -2.050 28.122 10.024 1.00 54.32 H new ATOM 0 HA SER A 13 -3.115 26.528 7.982 1.00 32.14 H new ATOM 0 HB2 SER A 13 -2.884 29.301 8.663 1.00 42.14 H new ATOM 0 HB3 SER A 13 -2.314 29.134 7.014 1.00 42.14 H new ATOM 0 HG SER A 13 -4.610 29.442 7.122 1.00 45.30 H new ATOM 204 N SER A 14 0.039 27.164 7.688 1.00 63.45 N ATOM 205 CA SER A 14 1.238 26.902 6.899 1.00 33.42 C ATOM 206 C SER A 14 1.465 25.402 6.738 1.00 21.45 C ATOM 207 O SER A 14 1.496 24.884 5.622 1.00 71.33 O ATOM 208 CB SER A 14 2.459 27.546 7.559 1.00 55.25 C ATOM 209 OG SER A 14 2.290 28.948 7.684 1.00 61.35 O ATOM 0 H SER A 14 0.221 27.505 8.632 1.00 63.45 H new ATOM 0 HA SER A 14 1.095 27.339 5.910 1.00 33.42 H new ATOM 0 HB2 SER A 14 2.619 27.106 8.544 1.00 55.25 H new ATOM 0 HB3 SER A 14 3.350 27.335 6.968 1.00 55.25 H new ATOM 0 HG SER A 14 3.083 29.336 8.110 1.00 61.35 H new ATOM 215 N ILE A 15 1.624 24.710 7.862 1.00 73.01 N ATOM 216 CA ILE A 15 1.847 23.270 7.847 1.00 62.34 C ATOM 217 C ILE A 15 0.585 22.522 7.430 1.00 62.01 C ATOM 218 O ILE A 15 0.652 21.391 6.949 1.00 60.23 O ATOM 219 CB ILE A 15 2.303 22.756 9.225 1.00 1.11 C ATOM 220 CG1 ILE A 15 3.355 23.694 9.821 1.00 14.40 C ATOM 221 CG2 ILE A 15 2.852 21.342 9.108 1.00 3.14 C ATOM 222 CD1 ILE A 15 4.531 23.943 8.904 1.00 44.31 C ATOM 0 H ILE A 15 1.602 25.124 8.794 1.00 73.01 H new ATOM 0 HA ILE A 15 2.636 23.081 7.119 1.00 62.34 H new ATOM 0 HB ILE A 15 1.441 22.736 9.892 1.00 1.11 H new ATOM 0 HG12 ILE A 15 2.885 24.647 10.063 1.00 14.40 H new ATOM 0 HG13 ILE A 15 3.718 23.271 10.758 1.00 14.40 H new ATOM 0 HG21 ILE A 15 3.170 20.993 10.090 1.00 3.14 H new ATOM 0 HG22 ILE A 15 2.076 20.681 8.722 1.00 3.14 H new ATOM 0 HG23 ILE A 15 3.704 21.338 8.428 1.00 3.14 H new ATOM 0 HD11 ILE A 15 5.236 24.616 9.391 1.00 44.31 H new ATOM 0 HD12 ILE A 15 5.026 22.998 8.682 1.00 44.31 H new ATOM 0 HD13 ILE A 15 4.180 24.395 7.976 1.00 44.31 H new ATOM 234 N ARG A 16 -0.564 23.162 7.616 1.00 13.54 N ATOM 235 CA ARG A 16 -1.842 22.558 7.259 1.00 12.43 C ATOM 236 C ARG A 16 -2.086 22.651 5.756 1.00 52.41 C ATOM 237 O ARG A 16 -2.843 21.862 5.190 1.00 1.21 O ATOM 238 CB ARG A 16 -2.983 23.242 8.015 1.00 2.32 C ATOM 239 CG ARG A 16 -3.075 22.836 9.477 1.00 45.00 C ATOM 240 CD ARG A 16 -3.893 21.566 9.652 1.00 51.50 C ATOM 241 NE ARG A 16 -4.953 21.731 10.644 1.00 64.34 N ATOM 242 CZ ARG A 16 -6.093 22.368 10.402 1.00 4.43 C ATOM 243 NH1 ARG A 16 -6.320 22.899 9.208 1.00 24.44 N ATOM 244 NH2 ARG A 16 -7.009 22.476 11.356 1.00 3.32 N ATOM 0 H ARG A 16 -0.637 24.099 8.012 1.00 13.54 H new ATOM 0 HA ARG A 16 -1.809 21.505 7.540 1.00 12.43 H new ATOM 0 HB2 ARG A 16 -2.851 24.322 7.954 1.00 2.32 H new ATOM 0 HB3 ARG A 16 -3.926 23.008 7.522 1.00 2.32 H new ATOM 0 HG2 ARG A 16 -2.073 22.682 9.877 1.00 45.00 H new ATOM 0 HG3 ARG A 16 -3.527 23.644 10.052 1.00 45.00 H new ATOM 0 HD2 ARG A 16 -4.332 21.283 8.695 1.00 51.50 H new ATOM 0 HD3 ARG A 16 -3.236 20.750 9.955 1.00 51.50 H new ATOM 0 HE ARG A 16 -4.810 21.335 11.573 1.00 64.34 H new ATOM 0 HH11 ARG A 16 -5.618 22.819 8.472 1.00 24.44 H new ATOM 0 HH12 ARG A 16 -7.197 23.388 9.025 1.00 24.44 H new ATOM 0 HH21 ARG A 16 -6.838 22.070 12.276 1.00 3.32 H new ATOM 0 HH22 ARG A 16 -7.884 22.965 11.170 1.00 3.32 H new ATOM 258 N TRP A 17 -1.441 23.620 5.116 1.00 14.22 N ATOM 259 CA TRP A 17 -1.589 23.817 3.679 1.00 60.45 C ATOM 260 C TRP A 17 -0.662 22.886 2.904 1.00 33.00 C ATOM 261 O TRP A 17 -1.117 22.049 2.124 1.00 12.01 O ATOM 262 CB TRP A 17 -1.296 25.272 3.309 1.00 20.41 C ATOM 263 CG TRP A 17 -1.053 25.475 1.844 1.00 5.12 C ATOM 264 CD1 TRP A 17 -1.978 25.408 0.842 1.00 34.15 C ATOM 265 CD2 TRP A 17 0.199 25.777 1.217 1.00 32.33 C ATOM 266 NE1 TRP A 17 -1.378 25.650 -0.370 1.00 21.44 N ATOM 267 CE2 TRP A 17 -0.043 25.880 -0.167 1.00 21.43 C ATOM 268 CE3 TRP A 17 1.499 25.972 1.690 1.00 1.02 C ATOM 269 CZ2 TRP A 17 0.969 26.168 -1.079 1.00 74.42 C ATOM 270 CZ3 TRP A 17 2.502 26.257 0.783 1.00 11.52 C ATOM 271 CH2 TRP A 17 2.232 26.354 -0.588 1.00 63.14 C ATOM 0 H TRP A 17 -0.811 24.281 5.570 1.00 14.22 H new ATOM 0 HA TRP A 17 -2.619 23.582 3.410 1.00 60.45 H new ATOM 0 HB2 TRP A 17 -2.135 25.895 3.621 1.00 20.41 H new ATOM 0 HB3 TRP A 17 -0.423 25.612 3.865 1.00 20.41 H new ATOM 0 HD1 TRP A 17 -3.028 25.196 0.982 1.00 34.15 H new ATOM 0 HE1 TRP A 17 -1.850 25.657 -1.274 1.00 21.44 H new ATOM 0 HE3 TRP A 17 1.716 25.901 2.746 1.00 1.02 H new ATOM 0 HZ2 TRP A 17 0.764 26.242 -2.137 1.00 74.42 H new ATOM 0 HZ3 TRP A 17 3.511 26.407 1.137 1.00 11.52 H new ATOM 0 HH2 TRP A 17 3.037 26.580 -1.271 1.00 63.14 H new ATOM 282 N VAL A 18 0.640 23.037 3.124 1.00 71.11 N ATOM 283 CA VAL A 18 1.631 22.208 2.447 1.00 14.51 C ATOM 284 C VAL A 18 1.301 20.727 2.593 1.00 14.32 C ATOM 285 O VAL A 18 1.513 19.939 1.671 1.00 31.30 O ATOM 286 CB VAL A 18 3.046 22.464 2.997 1.00 4.41 C ATOM 287 CG1 VAL A 18 3.626 23.740 2.406 1.00 4.42 C ATOM 288 CG2 VAL A 18 3.023 22.533 4.517 1.00 52.44 C ATOM 0 H VAL A 18 1.033 23.725 3.766 1.00 71.11 H new ATOM 0 HA VAL A 18 1.604 22.481 1.392 1.00 14.51 H new ATOM 0 HB VAL A 18 3.687 21.632 2.704 1.00 4.41 H new ATOM 0 HG11 VAL A 18 4.626 23.904 2.806 1.00 4.42 H new ATOM 0 HG12 VAL A 18 3.680 23.647 1.321 1.00 4.42 H new ATOM 0 HG13 VAL A 18 2.988 24.584 2.666 1.00 4.42 H new ATOM 0 HG21 VAL A 18 4.032 22.714 4.888 1.00 52.44 H new ATOM 0 HG22 VAL A 18 2.368 23.344 4.835 1.00 52.44 H new ATOM 0 HG23 VAL A 18 2.653 21.590 4.918 1.00 52.44 H new ATOM 298 N LEU A 19 0.780 20.355 3.757 1.00 13.01 N ATOM 299 CA LEU A 19 0.419 18.967 4.025 1.00 52.11 C ATOM 300 C LEU A 19 -0.617 18.470 3.021 1.00 3.32 C ATOM 301 O LEU A 19 -0.387 17.491 2.312 1.00 51.51 O ATOM 302 CB LEU A 19 -0.125 18.826 5.448 1.00 42.32 C ATOM 303 CG LEU A 19 0.890 18.419 6.517 1.00 51.32 C ATOM 304 CD1 LEU A 19 1.042 16.907 6.560 1.00 61.32 C ATOM 305 CD2 LEU A 19 2.234 19.085 6.258 1.00 55.22 C ATOM 0 H LEU A 19 0.598 20.995 4.530 1.00 13.01 H new ATOM 0 HA LEU A 19 1.317 18.358 3.924 1.00 52.11 H new ATOM 0 HB2 LEU A 19 -0.570 19.777 5.741 1.00 42.32 H new ATOM 0 HB3 LEU A 19 -0.927 18.088 5.437 1.00 42.32 H new ATOM 0 HG LEU A 19 0.522 18.754 7.487 1.00 51.32 H new ATOM 0 HD11 LEU A 19 1.768 16.636 7.326 1.00 61.32 H new ATOM 0 HD12 LEU A 19 0.080 16.451 6.794 1.00 61.32 H new ATOM 0 HD13 LEU A 19 1.387 16.548 5.590 1.00 61.32 H new ATOM 0 HD21 LEU A 19 2.944 18.784 7.029 1.00 55.22 H new ATOM 0 HD22 LEU A 19 2.609 18.781 5.281 1.00 55.22 H new ATOM 0 HD23 LEU A 19 2.113 20.168 6.279 1.00 55.22 H new ATOM 317 N GLU A 20 -1.756 19.154 2.967 1.00 62.45 N ATOM 318 CA GLU A 20 -2.826 18.782 2.048 1.00 24.41 C ATOM 319 C GLU A 20 -2.398 18.997 0.599 1.00 13.41 C ATOM 320 O GLU A 20 -2.930 18.368 -0.316 1.00 42.40 O ATOM 321 CB GLU A 20 -4.088 19.593 2.345 1.00 12.23 C ATOM 322 CG GLU A 20 -5.224 19.330 1.371 1.00 50.52 C ATOM 323 CD GLU A 20 -6.555 19.856 1.871 1.00 14.32 C ATOM 324 OE1 GLU A 20 -6.590 20.422 2.984 1.00 52.02 O ATOM 325 OE2 GLU A 20 -7.563 19.702 1.149 1.00 4.10 O ATOM 0 H GLU A 20 -1.961 19.967 3.548 1.00 62.45 H new ATOM 0 HA GLU A 20 -3.042 17.723 2.191 1.00 24.41 H new ATOM 0 HB2 GLU A 20 -4.427 19.365 3.355 1.00 12.23 H new ATOM 0 HB3 GLU A 20 -3.841 20.654 2.324 1.00 12.23 H new ATOM 0 HG2 GLU A 20 -4.991 19.795 0.413 1.00 50.52 H new ATOM 0 HG3 GLU A 20 -5.305 18.258 1.194 1.00 50.52 H new ATOM 332 N ARG A 21 -1.435 19.891 0.399 1.00 14.33 N ATOM 333 CA ARG A 21 -0.938 20.192 -0.938 1.00 25.04 C ATOM 334 C ARG A 21 -0.252 18.974 -1.549 1.00 64.21 C ATOM 335 O ARG A 21 -0.223 18.812 -2.769 1.00 1.33 O ATOM 336 CB ARG A 21 0.038 21.369 -0.889 1.00 3.12 C ATOM 337 CG ARG A 21 -0.371 22.536 -1.772 1.00 43.34 C ATOM 338 CD ARG A 21 0.070 22.326 -3.213 1.00 20.15 C ATOM 339 NE ARG A 21 -0.988 22.659 -4.163 1.00 22.22 N ATOM 340 CZ ARG A 21 -1.297 23.902 -4.512 1.00 41.55 C ATOM 341 NH1 ARG A 21 -0.632 24.925 -3.993 1.00 50.32 N ATOM 342 NH2 ARG A 21 -2.273 24.125 -5.384 1.00 24.12 N ATOM 0 H ARG A 21 -0.984 20.419 1.146 1.00 14.33 H new ATOM 0 HA ARG A 21 -1.789 20.460 -1.564 1.00 25.04 H new ATOM 0 HB2 ARG A 21 0.124 21.716 0.141 1.00 3.12 H new ATOM 0 HB3 ARG A 21 1.026 21.024 -1.193 1.00 3.12 H new ATOM 0 HG2 ARG A 21 -1.453 22.659 -1.736 1.00 43.34 H new ATOM 0 HG3 ARG A 21 0.068 23.456 -1.387 1.00 43.34 H new ATOM 0 HD2 ARG A 21 0.947 22.940 -3.417 1.00 20.15 H new ATOM 0 HD3 ARG A 21 0.369 21.287 -3.353 1.00 20.15 H new ATOM 0 HE ARG A 21 -1.519 21.895 -4.581 1.00 22.22 H new ATOM 0 HH11 ARG A 21 0.119 24.758 -3.324 1.00 50.32 H new ATOM 0 HH12 ARG A 21 -0.872 25.879 -4.263 1.00 50.32 H new ATOM 0 HH21 ARG A 21 -2.786 23.341 -5.787 1.00 24.12 H new ATOM 0 HH22 ARG A 21 -2.510 25.080 -5.651 1.00 24.12 H new ATOM 356 N ALA A 22 0.300 18.120 -0.693 1.00 21.00 N ATOM 357 CA ALA A 22 0.984 16.916 -1.149 1.00 3.35 C ATOM 358 C ALA A 22 0.010 15.752 -1.291 1.00 22.32 C ATOM 359 O ALA A 22 -0.149 15.191 -2.376 1.00 22.10 O ATOM 360 CB ALA A 22 2.108 16.553 -0.189 1.00 70.12 C ATOM 0 H ALA A 22 0.287 18.240 0.320 1.00 21.00 H new ATOM 0 HA ALA A 22 1.411 17.120 -2.131 1.00 3.35 H new ATOM 0 HB1 ALA A 22 2.611 15.652 -0.541 1.00 70.12 H new ATOM 0 HB2 ALA A 22 2.825 17.373 -0.141 1.00 70.12 H new ATOM 0 HB3 ALA A 22 1.695 16.374 0.804 1.00 70.12 H new ATOM 366 N LEU A 23 -0.639 15.392 -0.189 1.00 70.32 N ATOM 367 CA LEU A 23 -1.598 14.292 -0.191 1.00 40.30 C ATOM 368 C LEU A 23 -2.634 14.475 -1.296 1.00 1.14 C ATOM 369 O LEU A 23 -2.770 13.629 -2.179 1.00 4.20 O ATOM 370 CB LEU A 23 -2.295 14.196 1.167 1.00 74.40 C ATOM 371 CG LEU A 23 -1.393 14.318 2.395 1.00 1.12 C ATOM 372 CD1 LEU A 23 -2.201 14.138 3.671 1.00 25.02 C ATOM 373 CD2 LEU A 23 -0.262 13.302 2.330 1.00 71.14 C ATOM 0 H LEU A 23 -0.519 15.845 0.717 1.00 70.32 H new ATOM 0 HA LEU A 23 -1.053 13.367 -0.379 1.00 40.30 H new ATOM 0 HB2 LEU A 23 -3.054 14.977 1.219 1.00 74.40 H new ATOM 0 HB3 LEU A 23 -2.817 13.241 1.218 1.00 74.40 H new ATOM 0 HG LEU A 23 -0.957 15.317 2.403 1.00 1.12 H new ATOM 0 HD11 LEU A 23 -1.542 14.228 4.535 1.00 25.02 H new ATOM 0 HD12 LEU A 23 -2.974 14.904 3.723 1.00 25.02 H new ATOM 0 HD13 LEU A 23 -2.666 13.152 3.671 1.00 25.02 H new ATOM 0 HD21 LEU A 23 0.370 13.404 3.212 1.00 71.14 H new ATOM 0 HD22 LEU A 23 -0.679 12.295 2.296 1.00 71.14 H new ATOM 0 HD23 LEU A 23 0.334 13.478 1.435 1.00 71.14 H new ATOM 385 N ALA A 24 -3.361 15.586 -1.240 1.00 1.20 N ATOM 386 CA ALA A 24 -4.381 15.882 -2.238 1.00 13.32 C ATOM 387 C ALA A 24 -3.795 15.861 -3.645 1.00 72.24 C ATOM 388 O ALA A 24 -4.511 15.648 -4.623 1.00 61.02 O ATOM 389 CB ALA A 24 -5.023 17.232 -1.952 1.00 33.31 C ATOM 0 H ALA A 24 -3.262 16.296 -0.514 1.00 1.20 H new ATOM 0 HA ALA A 24 -5.146 15.108 -2.180 1.00 13.32 H new ATOM 0 HB1 ALA A 24 -5.783 17.440 -2.705 1.00 33.31 H new ATOM 0 HB2 ALA A 24 -5.486 17.213 -0.965 1.00 33.31 H new ATOM 0 HB3 ALA A 24 -4.261 18.011 -1.981 1.00 33.31 H new ATOM 395 N GLY A 25 -2.488 16.083 -3.741 1.00 2.52 N ATOM 396 CA GLY A 25 -1.828 16.086 -5.033 1.00 51.25 C ATOM 397 C GLY A 25 -1.406 14.698 -5.472 1.00 24.14 C ATOM 398 O GLY A 25 -1.145 14.465 -6.652 1.00 35.44 O ATOM 0 H GLY A 25 -1.874 16.261 -2.946 1.00 2.52 H new ATOM 0 HA2 GLY A 25 -2.499 16.511 -5.779 1.00 51.25 H new ATOM 0 HA3 GLY A 25 -0.951 16.732 -4.988 1.00 51.25 H new ATOM 402 N ALA A 26 -1.336 13.774 -4.519 1.00 5.12 N ATOM 403 CA ALA A 26 -0.942 12.402 -4.813 1.00 22.22 C ATOM 404 C ALA A 26 -2.112 11.442 -4.622 1.00 44.34 C ATOM 405 O ALA A 26 -1.960 10.229 -4.755 1.00 63.24 O ATOM 406 CB ALA A 26 0.230 11.989 -3.934 1.00 41.34 C ATOM 0 H ALA A 26 -1.547 13.951 -3.537 1.00 5.12 H new ATOM 0 HA ALA A 26 -0.633 12.355 -5.857 1.00 22.22 H new ATOM 0 HB1 ALA A 26 0.514 10.962 -4.164 1.00 41.34 H new ATOM 0 HB2 ALA A 26 1.076 12.650 -4.122 1.00 41.34 H new ATOM 0 HB3 ALA A 26 -0.059 12.059 -2.885 1.00 41.34 H new ATOM 412 N GLY A 27 -3.280 11.995 -4.309 1.00 43.12 N ATOM 413 CA GLY A 27 -4.458 11.173 -4.105 1.00 12.23 C ATOM 414 C GLY A 27 -4.514 10.576 -2.712 1.00 53.54 C ATOM 415 O GLY A 27 -5.485 9.908 -2.354 1.00 64.41 O ATOM 0 H GLY A 27 -3.431 12.997 -4.193 1.00 43.12 H new ATOM 0 HA2 GLY A 27 -5.351 11.774 -4.275 1.00 12.23 H new ATOM 0 HA3 GLY A 27 -4.469 10.370 -4.842 1.00 12.23 H new ATOM 419 N LEU A 28 -3.471 10.816 -1.925 1.00 55.43 N ATOM 420 CA LEU A 28 -3.405 10.296 -0.564 1.00 3.20 C ATOM 421 C LEU A 28 -4.545 10.848 0.286 1.00 4.02 C ATOM 422 O LEU A 28 -4.951 12.000 0.128 1.00 21.23 O ATOM 423 CB LEU A 28 -2.060 10.651 0.073 1.00 31.02 C ATOM 424 CG LEU A 28 -0.815 10.211 -0.698 1.00 31.12 C ATOM 425 CD1 LEU A 28 0.414 10.952 -0.195 1.00 30.13 C ATOM 426 CD2 LEU A 28 -0.619 8.707 -0.580 1.00 23.54 C ATOM 0 H LEU A 28 -2.660 11.367 -2.206 1.00 55.43 H new ATOM 0 HA LEU A 28 -3.504 9.211 -0.610 1.00 3.20 H new ATOM 0 HB2 LEU A 28 -2.018 11.732 0.205 1.00 31.02 H new ATOM 0 HB3 LEU A 28 -2.023 10.206 1.067 1.00 31.02 H new ATOM 0 HG LEU A 28 -0.957 10.457 -1.750 1.00 31.12 H new ATOM 0 HD11 LEU A 28 1.290 10.626 -0.755 1.00 30.13 H new ATOM 0 HD12 LEU A 28 0.274 12.024 -0.332 1.00 30.13 H new ATOM 0 HD13 LEU A 28 0.560 10.738 0.864 1.00 30.13 H new ATOM 0 HD21 LEU A 28 0.272 8.412 -1.135 1.00 23.54 H new ATOM 0 HD22 LEU A 28 -0.499 8.437 0.469 1.00 23.54 H new ATOM 0 HD23 LEU A 28 -1.489 8.193 -0.990 1.00 23.54 H new ATOM 438 N THR A 29 -5.056 10.019 1.191 1.00 74.02 N ATOM 439 CA THR A 29 -6.148 10.424 2.067 1.00 34.41 C ATOM 440 C THR A 29 -5.704 11.520 3.029 1.00 54.15 C ATOM 441 O THR A 29 -5.052 11.248 4.037 1.00 62.31 O ATOM 442 CB THR A 29 -6.688 9.231 2.880 1.00 43.41 C ATOM 443 OG1 THR A 29 -7.189 8.223 1.996 1.00 75.21 O ATOM 444 CG2 THR A 29 -7.791 9.677 3.827 1.00 12.22 C ATOM 0 H THR A 29 -4.731 9.063 1.336 1.00 74.02 H new ATOM 0 HA THR A 29 -6.942 10.807 1.426 1.00 34.41 H new ATOM 0 HB THR A 29 -5.869 8.821 3.470 1.00 43.41 H new ATOM 0 HG1 THR A 29 -7.529 7.468 2.520 1.00 75.21 H new ATOM 0 HG21 THR A 29 -8.157 8.818 4.390 1.00 12.22 H new ATOM 0 HG22 THR A 29 -7.398 10.423 4.518 1.00 12.22 H new ATOM 0 HG23 THR A 29 -8.610 10.110 3.253 1.00 12.22 H new ATOM 452 N CYS A 30 -6.062 12.759 2.711 1.00 53.20 N ATOM 453 CA CYS A 30 -5.700 13.898 3.548 1.00 72.23 C ATOM 454 C CYS A 30 -6.706 14.083 4.679 1.00 31.22 C ATOM 455 O CYS A 30 -7.917 14.068 4.457 1.00 13.11 O ATOM 456 CB CYS A 30 -5.622 15.172 2.705 1.00 20.22 C ATOM 457 SG CYS A 30 -5.171 16.651 3.643 1.00 35.52 S ATOM 0 H CYS A 30 -6.602 13.001 1.880 1.00 53.20 H new ATOM 0 HA CYS A 30 -4.722 13.700 3.985 1.00 72.23 H new ATOM 0 HB2 CYS A 30 -4.893 15.024 1.908 1.00 20.22 H new ATOM 0 HB3 CYS A 30 -6.587 15.338 2.227 1.00 20.22 H new ATOM 0 HG CYS A 30 -6.013 17.606 3.379 1.00 35.52 H new ATOM 463 N THR A 31 -6.196 14.255 5.895 1.00 54.41 N ATOM 464 CA THR A 31 -7.049 14.440 7.062 1.00 14.21 C ATOM 465 C THR A 31 -6.433 15.432 8.042 1.00 53.32 C ATOM 466 O THR A 31 -5.217 15.456 8.236 1.00 14.21 O ATOM 467 CB THR A 31 -7.302 13.106 7.790 1.00 2.52 C ATOM 468 OG1 THR A 31 -7.642 12.088 6.843 1.00 22.10 O ATOM 469 CG2 THR A 31 -8.420 13.251 8.811 1.00 34.41 C ATOM 0 H THR A 31 -5.196 14.270 6.097 1.00 54.41 H new ATOM 0 HA THR A 31 -7.999 14.834 6.700 1.00 14.21 H new ATOM 0 HB THR A 31 -6.388 12.823 8.313 1.00 2.52 H new ATOM 0 HG1 THR A 31 -7.397 11.210 7.204 1.00 22.10 H new ATOM 0 HG21 THR A 31 -8.581 12.297 9.312 1.00 34.41 H new ATOM 0 HG22 THR A 31 -8.145 14.006 9.547 1.00 34.41 H new ATOM 0 HG23 THR A 31 -9.337 13.554 8.306 1.00 34.41 H new ATOM 477 N THR A 32 -7.280 16.251 8.659 1.00 43.13 N ATOM 478 CA THR A 32 -6.818 17.246 9.618 1.00 13.15 C ATOM 479 C THR A 32 -7.914 17.595 10.619 1.00 73.21 C ATOM 480 O THR A 32 -9.090 17.307 10.393 1.00 63.33 O ATOM 481 CB THR A 32 -6.354 18.534 8.913 1.00 51.30 C ATOM 482 OG1 THR A 32 -7.301 18.910 7.907 1.00 41.04 O ATOM 483 CG2 THR A 32 -4.984 18.341 8.281 1.00 50.43 C ATOM 0 H THR A 32 -8.289 16.244 8.511 1.00 43.13 H new ATOM 0 HA THR A 32 -5.973 16.806 10.147 1.00 13.15 H new ATOM 0 HB THR A 32 -6.284 19.326 9.659 1.00 51.30 H new ATOM 0 HG1 THR A 32 -7.000 19.731 7.464 1.00 41.04 H new ATOM 0 HG21 THR A 32 -4.677 19.264 7.789 1.00 50.43 H new ATOM 0 HG22 THR A 32 -4.260 18.084 9.054 1.00 50.43 H new ATOM 0 HG23 THR A 32 -5.032 17.537 7.547 1.00 50.43 H new ATOM 491 N PHE A 33 -7.522 18.217 11.726 1.00 55.23 N ATOM 492 CA PHE A 33 -8.473 18.605 12.762 1.00 44.33 C ATOM 493 C PHE A 33 -7.996 19.855 13.496 1.00 53.43 C ATOM 494 O PHE A 33 -8.461 20.962 13.224 1.00 72.34 O ATOM 495 CB PHE A 33 -8.670 17.460 13.757 1.00 54.11 C ATOM 496 CG PHE A 33 -9.176 16.196 13.123 1.00 24.41 C ATOM 497 CD1 PHE A 33 -10.526 16.027 12.862 1.00 1.23 C ATOM 498 CD2 PHE A 33 -8.300 15.175 12.789 1.00 51.05 C ATOM 499 CE1 PHE A 33 -10.994 14.865 12.279 1.00 71.03 C ATOM 500 CE2 PHE A 33 -8.762 14.011 12.204 1.00 34.15 C ATOM 501 CZ PHE A 33 -10.111 13.855 11.950 1.00 11.14 C ATOM 0 H PHE A 33 -6.553 18.463 11.929 1.00 55.23 H new ATOM 0 HA PHE A 33 -9.426 18.828 12.282 1.00 44.33 H new ATOM 0 HB2 PHE A 33 -7.722 17.254 14.254 1.00 54.11 H new ATOM 0 HB3 PHE A 33 -9.372 17.776 14.529 1.00 54.11 H new ATOM 0 HD1 PHE A 33 -11.221 16.813 13.117 1.00 1.23 H new ATOM 0 HD2 PHE A 33 -7.245 15.290 12.988 1.00 51.05 H new ATOM 0 HE1 PHE A 33 -12.049 14.747 12.081 1.00 71.03 H new ATOM 0 HE2 PHE A 33 -8.069 13.224 11.946 1.00 34.15 H new ATOM 0 HZ PHE A 33 -10.474 12.945 11.495 1.00 11.14 H new ATOM 511 N GLU A 34 -7.067 19.669 14.428 1.00 42.23 N ATOM 512 CA GLU A 34 -6.529 20.782 15.202 1.00 63.41 C ATOM 513 C GLU A 34 -5.591 20.280 16.297 1.00 75.45 C ATOM 514 O GLU A 34 -4.385 20.516 16.252 1.00 51.12 O ATOM 515 CB GLU A 34 -7.665 21.597 15.823 1.00 71.24 C ATOM 516 CG GLU A 34 -7.723 23.033 15.331 1.00 43.42 C ATOM 517 CD GLU A 34 -9.136 23.582 15.297 1.00 42.20 C ATOM 518 OE1 GLU A 34 -9.989 23.070 16.052 1.00 3.01 O ATOM 519 OE2 GLU A 34 -9.389 24.523 14.516 1.00 71.10 O ATOM 0 H GLU A 34 -6.671 18.759 14.665 1.00 42.23 H new ATOM 0 HA GLU A 34 -5.961 21.421 14.525 1.00 63.41 H new ATOM 0 HB2 GLU A 34 -8.614 21.108 15.603 1.00 71.24 H new ATOM 0 HB3 GLU A 34 -7.550 21.598 16.907 1.00 71.24 H new ATOM 0 HG2 GLU A 34 -7.109 23.660 15.978 1.00 43.42 H new ATOM 0 HG3 GLU A 34 -7.292 23.088 14.331 1.00 43.42 H new ATOM 526 N ASN A 35 -6.157 19.586 17.279 1.00 21.40 N ATOM 527 CA ASN A 35 -5.373 19.051 18.386 1.00 22.24 C ATOM 528 C ASN A 35 -5.667 17.569 18.595 1.00 34.55 C ATOM 529 O ASN A 35 -6.653 17.042 18.080 1.00 24.13 O ATOM 530 CB ASN A 35 -5.670 19.827 19.671 1.00 42.43 C ATOM 531 CG ASN A 35 -7.123 20.248 19.769 1.00 54.42 C ATOM 532 OD1 ASN A 35 -8.019 19.270 19.837 1.00 62.21 O flip ATOM 533 ND2 ASN A 35 -7.437 21.439 19.783 1.00 11.45 N flip ATOM 0 H ASN A 35 -7.155 19.381 17.331 1.00 21.40 H new ATOM 0 HA ASN A 35 -4.318 19.162 18.138 1.00 22.24 H new ATOM 0 HB2 ASN A 35 -5.415 19.210 20.532 1.00 42.43 H new ATOM 0 HB3 ASN A 35 -5.035 20.712 19.713 1.00 42.43 H new ATOM 0 HD21 ASN A 35 -6.715 22.157 19.729 1.00 11.45 H new ATOM 0 HD22 ASN A 35 -8.419 21.707 19.849 1.00 11.45 H new ATOM 540 N GLY A 36 -4.805 16.901 19.356 1.00 32.24 N ATOM 541 CA GLY A 36 -4.990 15.486 19.621 1.00 74.00 C ATOM 542 C GLY A 36 -6.397 15.162 20.083 1.00 31.23 C ATOM 543 O GLY A 36 -6.919 14.085 19.798 1.00 64.12 O ATOM 0 H GLY A 36 -3.982 17.315 19.794 1.00 32.24 H new ATOM 0 HA2 GLY A 36 -4.768 14.918 18.718 1.00 74.00 H new ATOM 0 HA3 GLY A 36 -4.278 15.166 20.382 1.00 74.00 H new ATOM 547 N ASN A 37 -7.012 16.096 20.801 1.00 34.02 N ATOM 548 CA ASN A 37 -8.367 15.903 21.306 1.00 1.12 C ATOM 549 C ASN A 37 -9.302 15.442 20.193 1.00 72.14 C ATOM 550 O ASN A 37 -10.042 14.472 20.353 1.00 55.20 O ATOM 551 CB ASN A 37 -8.893 17.200 21.924 1.00 5.25 C ATOM 552 CG ASN A 37 -9.804 16.948 23.110 1.00 61.10 C ATOM 553 OD1 ASN A 37 -9.832 15.848 23.662 1.00 34.11 O ATOM 554 ND2 ASN A 37 -10.555 17.969 23.507 1.00 63.23 N ATOM 0 H ASN A 37 -6.594 16.994 21.046 1.00 34.02 H new ATOM 0 HA ASN A 37 -8.335 15.129 22.073 1.00 1.12 H new ATOM 0 HB2 ASN A 37 -8.051 17.816 22.240 1.00 5.25 H new ATOM 0 HB3 ASN A 37 -9.435 17.766 21.167 1.00 5.25 H new ATOM 0 HD21 ASN A 37 -11.188 17.859 24.299 1.00 63.23 H new ATOM 0 HD22 ASN A 37 -10.499 18.863 23.019 1.00 63.23 H new ATOM 561 N GLU A 38 -9.262 16.144 19.064 1.00 24.24 N ATOM 562 CA GLU A 38 -10.106 15.806 17.924 1.00 22.15 C ATOM 563 C GLU A 38 -9.741 14.434 17.365 1.00 33.33 C ATOM 564 O GLU A 38 -10.599 13.564 17.216 1.00 34.31 O ATOM 565 CB GLU A 38 -9.972 16.867 16.830 1.00 21.21 C ATOM 566 CG GLU A 38 -11.030 17.955 16.904 1.00 72.51 C ATOM 567 CD GLU A 38 -12.403 17.462 16.488 1.00 1.04 C ATOM 568 OE1 GLU A 38 -13.124 16.920 17.352 1.00 73.43 O ATOM 569 OE2 GLU A 38 -12.756 17.619 15.301 1.00 64.51 O ATOM 0 H GLU A 38 -8.654 16.950 18.915 1.00 24.24 H new ATOM 0 HA GLU A 38 -11.140 15.776 18.266 1.00 22.15 H new ATOM 0 HB2 GLU A 38 -8.986 17.326 16.900 1.00 21.21 H new ATOM 0 HB3 GLU A 38 -10.030 16.382 15.856 1.00 21.21 H new ATOM 0 HG2 GLU A 38 -11.079 18.340 17.923 1.00 72.51 H new ATOM 0 HG3 GLU A 38 -10.737 18.786 16.263 1.00 72.51 H new ATOM 576 N VAL A 39 -8.462 14.248 17.057 1.00 63.31 N ATOM 577 CA VAL A 39 -7.982 12.982 16.515 1.00 51.14 C ATOM 578 C VAL A 39 -8.456 11.806 17.362 1.00 52.54 C ATOM 579 O VAL A 39 -8.652 10.701 16.855 1.00 53.02 O ATOM 580 CB VAL A 39 -6.444 12.954 16.432 1.00 73.23 C ATOM 581 CG1 VAL A 39 -5.942 11.523 16.320 1.00 63.54 C ATOM 582 CG2 VAL A 39 -5.959 13.791 15.258 1.00 10.43 C ATOM 0 H VAL A 39 -7.739 14.958 17.173 1.00 63.31 H new ATOM 0 HA VAL A 39 -8.394 12.891 15.510 1.00 51.14 H new ATOM 0 HB VAL A 39 -6.040 13.385 17.348 1.00 73.23 H new ATOM 0 HG11 VAL A 39 -4.854 11.523 16.262 1.00 63.54 H new ATOM 0 HG12 VAL A 39 -6.259 10.957 17.196 1.00 63.54 H new ATOM 0 HG13 VAL A 39 -6.353 11.063 15.422 1.00 63.54 H new ATOM 0 HG21 VAL A 39 -4.870 13.760 15.214 1.00 10.43 H new ATOM 0 HG22 VAL A 39 -6.371 13.391 14.331 1.00 10.43 H new ATOM 0 HG23 VAL A 39 -6.288 14.822 15.386 1.00 10.43 H new ATOM 592 N LEU A 40 -8.639 12.052 18.654 1.00 33.32 N ATOM 593 CA LEU A 40 -9.092 11.013 19.573 1.00 4.14 C ATOM 594 C LEU A 40 -10.389 10.379 19.082 1.00 21.34 C ATOM 595 O LEU A 40 -10.459 9.168 18.872 1.00 44.21 O ATOM 596 CB LEU A 40 -9.293 11.596 20.973 1.00 15.02 C ATOM 597 CG LEU A 40 -8.977 10.662 22.141 1.00 20.45 C ATOM 598 CD1 LEU A 40 -9.701 9.334 21.975 1.00 44.44 C ATOM 599 CD2 LEU A 40 -7.476 10.442 22.257 1.00 64.31 C ATOM 0 H LEU A 40 -8.481 12.961 19.089 1.00 33.32 H new ATOM 0 HA LEU A 40 -8.325 10.239 19.615 1.00 4.14 H new ATOM 0 HB2 LEU A 40 -8.671 12.486 21.067 1.00 15.02 H new ATOM 0 HB3 LEU A 40 -10.329 11.921 21.064 1.00 15.02 H new ATOM 0 HG LEU A 40 -9.328 11.131 23.060 1.00 20.45 H new ATOM 0 HD11 LEU A 40 -9.464 8.683 22.816 1.00 44.44 H new ATOM 0 HD12 LEU A 40 -10.777 9.508 21.943 1.00 44.44 H new ATOM 0 HD13 LEU A 40 -9.382 8.859 21.047 1.00 44.44 H new ATOM 0 HD21 LEU A 40 -7.270 9.775 23.094 1.00 64.31 H new ATOM 0 HD22 LEU A 40 -7.101 9.996 21.336 1.00 64.31 H new ATOM 0 HD23 LEU A 40 -6.980 11.398 22.425 1.00 64.31 H new ATOM 611 N ALA A 41 -11.414 11.205 18.900 1.00 23.01 N ATOM 612 CA ALA A 41 -12.707 10.726 18.430 1.00 72.54 C ATOM 613 C ALA A 41 -12.551 9.851 17.190 1.00 41.52 C ATOM 614 O ALA A 41 -13.323 8.917 16.976 1.00 10.41 O ATOM 615 CB ALA A 41 -13.631 11.899 18.137 1.00 24.04 C ATOM 0 H ALA A 41 -11.373 12.210 19.071 1.00 23.01 H new ATOM 0 HA ALA A 41 -13.149 10.118 19.219 1.00 72.54 H new ATOM 0 HB1 ALA A 41 -14.593 11.526 17.787 1.00 24.04 H new ATOM 0 HB2 ALA A 41 -13.777 12.483 19.046 1.00 24.04 H new ATOM 0 HB3 ALA A 41 -13.185 12.530 17.368 1.00 24.04 H new ATOM 621 N ALA A 42 -11.548 10.162 16.375 1.00 25.45 N ATOM 622 CA ALA A 42 -11.290 9.403 15.158 1.00 44.33 C ATOM 623 C ALA A 42 -10.468 8.153 15.453 1.00 2.21 C ATOM 624 O ALA A 42 -10.666 7.107 14.834 1.00 62.10 O ATOM 625 CB ALA A 42 -10.578 10.275 14.134 1.00 52.23 C ATOM 0 H ALA A 42 -10.901 10.934 16.536 1.00 25.45 H new ATOM 0 HA ALA A 42 -12.249 9.086 14.747 1.00 44.33 H new ATOM 0 HB1 ALA A 42 -10.391 9.696 13.230 1.00 52.23 H new ATOM 0 HB2 ALA A 42 -11.202 11.135 13.892 1.00 52.23 H new ATOM 0 HB3 ALA A 42 -9.630 10.620 14.546 1.00 52.23 H new ATOM 631 N LEU A 43 -9.545 8.268 16.401 1.00 2.34 N ATOM 632 CA LEU A 43 -8.692 7.147 16.779 1.00 65.23 C ATOM 633 C LEU A 43 -9.523 5.985 17.313 1.00 55.14 C ATOM 634 O LEU A 43 -9.264 4.825 16.994 1.00 3.15 O ATOM 635 CB LEU A 43 -7.674 7.587 17.833 1.00 63.34 C ATOM 636 CG LEU A 43 -6.406 8.258 17.303 1.00 55.45 C ATOM 637 CD1 LEU A 43 -5.560 8.784 18.452 1.00 71.53 C ATOM 638 CD2 LEU A 43 -5.605 7.287 16.448 1.00 33.22 C ATOM 0 H LEU A 43 -9.368 9.127 16.922 1.00 2.34 H new ATOM 0 HA LEU A 43 -8.162 6.811 15.888 1.00 65.23 H new ATOM 0 HB2 LEU A 43 -8.166 8.276 18.519 1.00 63.34 H new ATOM 0 HB3 LEU A 43 -7.382 6.713 18.415 1.00 63.34 H new ATOM 0 HG LEU A 43 -6.699 9.102 16.679 1.00 55.45 H new ATOM 0 HD11 LEU A 43 -4.662 9.258 18.055 1.00 71.53 H new ATOM 0 HD12 LEU A 43 -6.134 9.514 19.022 1.00 71.53 H new ATOM 0 HD13 LEU A 43 -5.276 7.957 19.103 1.00 71.53 H new ATOM 0 HD21 LEU A 43 -4.707 7.782 16.080 1.00 33.22 H new ATOM 0 HD22 LEU A 43 -5.323 6.422 17.048 1.00 33.22 H new ATOM 0 HD23 LEU A 43 -6.211 6.961 15.603 1.00 33.22 H new ATOM 650 N ALA A 44 -10.526 6.306 18.124 1.00 21.31 N ATOM 651 CA ALA A 44 -11.399 5.289 18.698 1.00 3.55 C ATOM 652 C ALA A 44 -12.187 4.565 17.612 1.00 1.24 C ATOM 653 O ALA A 44 -12.447 3.366 17.716 1.00 50.53 O ATOM 654 CB ALA A 44 -12.346 5.918 19.710 1.00 24.44 C ATOM 0 H ALA A 44 -10.754 7.262 18.398 1.00 21.31 H new ATOM 0 HA ALA A 44 -10.775 4.555 19.207 1.00 3.55 H new ATOM 0 HB1 ALA A 44 -12.992 5.148 20.131 1.00 24.44 H new ATOM 0 HB2 ALA A 44 -11.768 6.383 20.509 1.00 24.44 H new ATOM 0 HB3 ALA A 44 -12.957 6.674 19.216 1.00 24.44 H new ATOM 660 N SER A 45 -12.565 5.301 16.572 1.00 61.32 N ATOM 661 CA SER A 45 -13.328 4.729 15.468 1.00 23.13 C ATOM 662 C SER A 45 -12.425 3.911 14.550 1.00 43.21 C ATOM 663 O SER A 45 -12.762 2.792 14.164 1.00 62.33 O ATOM 664 CB SER A 45 -14.018 5.836 14.670 1.00 42.43 C ATOM 665 OG SER A 45 -15.368 5.503 14.397 1.00 1.11 O ATOM 0 H SER A 45 -12.356 6.294 16.470 1.00 61.32 H new ATOM 0 HA SER A 45 -14.086 4.067 15.887 1.00 23.13 H new ATOM 0 HB2 SER A 45 -13.977 6.771 15.229 1.00 42.43 H new ATOM 0 HB3 SER A 45 -13.484 6.000 13.734 1.00 42.43 H new ATOM 0 HG SER A 45 -15.787 6.228 13.887 1.00 1.11 H new ATOM 671 N LYS A 46 -11.274 4.479 14.203 1.00 34.34 N ATOM 672 CA LYS A 46 -10.320 3.804 13.331 1.00 10.34 C ATOM 673 C LYS A 46 -8.892 4.238 13.648 1.00 15.43 C ATOM 674 O LYS A 46 -8.670 5.118 14.481 1.00 21.00 O ATOM 675 CB LYS A 46 -10.641 4.100 11.865 1.00 44.25 C ATOM 676 CG LYS A 46 -10.789 2.853 11.011 1.00 63.33 C ATOM 677 CD LYS A 46 -10.093 3.010 9.669 1.00 75.23 C ATOM 678 CE LYS A 46 -8.580 2.975 9.818 1.00 72.15 C ATOM 679 NZ LYS A 46 -8.097 1.636 10.256 1.00 44.41 N ATOM 0 H LYS A 46 -10.980 5.405 14.513 1.00 34.34 H new ATOM 0 HA LYS A 46 -10.402 2.731 13.505 1.00 10.34 H new ATOM 0 HB2 LYS A 46 -11.564 4.677 11.813 1.00 44.25 H new ATOM 0 HB3 LYS A 46 -9.851 4.724 11.448 1.00 44.25 H new ATOM 0 HG2 LYS A 46 -10.371 1.997 11.540 1.00 63.33 H new ATOM 0 HG3 LYS A 46 -11.847 2.644 10.851 1.00 63.33 H new ATOM 0 HD2 LYS A 46 -10.412 2.213 8.997 1.00 75.23 H new ATOM 0 HD3 LYS A 46 -10.393 3.952 9.211 1.00 75.23 H new ATOM 0 HE2 LYS A 46 -8.115 3.236 8.867 1.00 72.15 H new ATOM 0 HE3 LYS A 46 -8.269 3.728 10.542 1.00 72.15 H new ATOM 0 HZ1 LYS A 46 -7.057 1.628 10.264 1.00 44.41 H new ATOM 0 HZ2 LYS A 46 -8.453 1.434 11.212 1.00 44.41 H new ATOM 0 HZ3 LYS A 46 -8.444 0.909 9.598 1.00 44.41 H new ATOM 693 N THR A 47 -7.927 3.617 12.978 1.00 50.11 N ATOM 694 CA THR A 47 -6.521 3.939 13.188 1.00 53.52 C ATOM 695 C THR A 47 -5.845 4.328 11.878 1.00 1.12 C ATOM 696 O THR A 47 -5.952 3.635 10.867 1.00 60.45 O ATOM 697 CB THR A 47 -5.761 2.755 13.814 1.00 42.24 C ATOM 698 OG1 THR A 47 -5.502 1.758 12.819 1.00 54.23 O ATOM 699 CG2 THR A 47 -6.557 2.144 14.957 1.00 71.14 C ATOM 0 H THR A 47 -8.093 2.888 12.285 1.00 50.11 H new ATOM 0 HA THR A 47 -6.489 4.785 13.875 1.00 53.52 H new ATOM 0 HB THR A 47 -4.816 3.127 14.209 1.00 42.24 H new ATOM 0 HG1 THR A 47 -5.017 1.009 13.225 1.00 54.23 H new ATOM 0 HG21 THR A 47 -6.000 1.310 15.383 1.00 71.14 H new ATOM 0 HG22 THR A 47 -6.727 2.898 15.726 1.00 71.14 H new ATOM 0 HG23 THR A 47 -7.516 1.786 14.582 1.00 71.14 H new ATOM 707 N PRO A 48 -5.130 5.463 11.894 1.00 12.04 N ATOM 708 CA PRO A 48 -4.421 5.969 10.715 1.00 23.35 C ATOM 709 C PRO A 48 -3.221 5.103 10.345 1.00 11.23 C ATOM 710 O PRO A 48 -2.942 4.100 11.001 1.00 22.53 O ATOM 711 CB PRO A 48 -3.961 7.363 11.149 1.00 22.22 C ATOM 712 CG PRO A 48 -3.875 7.288 12.635 1.00 43.24 C ATOM 713 CD PRO A 48 -4.959 6.340 13.065 1.00 32.31 C ATOM 0 HA PRO A 48 -5.054 5.971 9.828 1.00 23.35 H new ATOM 0 HB2 PRO A 48 -2.997 7.616 10.709 1.00 22.22 H new ATOM 0 HB3 PRO A 48 -4.668 8.130 10.832 1.00 22.22 H new ATOM 0 HG2 PRO A 48 -2.895 6.930 12.952 1.00 43.24 H new ATOM 0 HG3 PRO A 48 -4.016 8.271 13.084 1.00 43.24 H new ATOM 0 HD2 PRO A 48 -4.670 5.775 13.951 1.00 32.31 H new ATOM 0 HD3 PRO A 48 -5.881 6.868 13.310 1.00 32.31 H new ATOM 721 N ASP A 49 -2.515 5.498 9.292 1.00 53.24 N ATOM 722 CA ASP A 49 -1.344 4.759 8.835 1.00 30.01 C ATOM 723 C ASP A 49 -0.071 5.317 9.464 1.00 63.55 C ATOM 724 O ASP A 49 0.726 4.575 10.040 1.00 15.41 O ATOM 725 CB ASP A 49 -1.242 4.815 7.310 1.00 23.21 C ATOM 726 CG ASP A 49 -1.408 3.451 6.668 1.00 0.44 C ATOM 727 OD1 ASP A 49 -0.924 2.459 7.251 1.00 33.23 O ATOM 728 OD2 ASP A 49 -2.021 3.377 5.583 1.00 71.03 O ATOM 0 H ASP A 49 -2.733 6.326 8.738 1.00 53.24 H new ATOM 0 HA ASP A 49 -1.456 3.720 9.145 1.00 30.01 H new ATOM 0 HB2 ASP A 49 -2.004 5.491 6.922 1.00 23.21 H new ATOM 0 HB3 ASP A 49 -0.274 5.231 7.028 1.00 23.21 H new ATOM 733 N VAL A 50 0.116 6.627 9.347 1.00 12.50 N ATOM 734 CA VAL A 50 1.292 7.285 9.903 1.00 23.25 C ATOM 735 C VAL A 50 0.984 8.727 10.291 1.00 24.31 C ATOM 736 O VAL A 50 1.299 9.661 9.552 1.00 24.42 O ATOM 737 CB VAL A 50 2.466 7.272 8.907 1.00 44.23 C ATOM 738 CG1 VAL A 50 3.667 8.004 9.487 1.00 63.34 C ATOM 739 CG2 VAL A 50 2.832 5.844 8.532 1.00 33.34 C ATOM 0 H VAL A 50 -0.533 7.255 8.872 1.00 12.50 H new ATOM 0 HA VAL A 50 1.576 6.725 10.794 1.00 23.25 H new ATOM 0 HB VAL A 50 2.156 7.793 8.001 1.00 44.23 H new ATOM 0 HG11 VAL A 50 4.487 7.984 8.769 1.00 63.34 H new ATOM 0 HG12 VAL A 50 3.395 9.038 9.699 1.00 63.34 H new ATOM 0 HG13 VAL A 50 3.981 7.515 10.409 1.00 63.34 H new ATOM 0 HG21 VAL A 50 3.664 5.855 7.827 1.00 33.34 H new ATOM 0 HG22 VAL A 50 3.123 5.296 9.428 1.00 33.34 H new ATOM 0 HG23 VAL A 50 1.972 5.357 8.071 1.00 33.34 H new ATOM 749 N LEU A 51 0.367 8.902 11.454 1.00 25.24 N ATOM 750 CA LEU A 51 0.017 10.231 11.942 1.00 52.30 C ATOM 751 C LEU A 51 1.186 10.863 12.691 1.00 61.41 C ATOM 752 O LEU A 51 1.967 10.168 13.344 1.00 53.44 O ATOM 753 CB LEU A 51 -1.207 10.154 12.856 1.00 13.31 C ATOM 754 CG LEU A 51 -1.520 11.413 13.666 1.00 74.10 C ATOM 755 CD1 LEU A 51 -3.023 11.599 13.804 1.00 75.04 C ATOM 756 CD2 LEU A 51 -0.862 11.343 15.036 1.00 32.12 C ATOM 0 H LEU A 51 0.099 8.140 12.077 1.00 25.24 H new ATOM 0 HA LEU A 51 -0.218 10.856 11.081 1.00 52.30 H new ATOM 0 HB2 LEU A 51 -2.077 9.913 12.245 1.00 13.31 H new ATOM 0 HB3 LEU A 51 -1.066 9.325 13.550 1.00 13.31 H new ATOM 0 HG LEU A 51 -1.115 12.274 13.134 1.00 74.10 H new ATOM 0 HD11 LEU A 51 -3.226 12.500 14.383 1.00 75.04 H new ATOM 0 HD12 LEU A 51 -3.470 11.695 12.815 1.00 75.04 H new ATOM 0 HD13 LEU A 51 -3.451 10.736 14.313 1.00 75.04 H new ATOM 0 HD21 LEU A 51 -1.095 12.247 15.598 1.00 32.12 H new ATOM 0 HD22 LEU A 51 -1.237 10.473 15.576 1.00 32.12 H new ATOM 0 HD23 LEU A 51 0.218 11.259 14.917 1.00 32.12 H new ATOM 768 N LEU A 52 1.300 12.183 12.594 1.00 21.53 N ATOM 769 CA LEU A 52 2.373 12.909 13.265 1.00 61.13 C ATOM 770 C LEU A 52 1.813 13.851 14.326 1.00 71.24 C ATOM 771 O LEU A 52 1.670 15.051 14.092 1.00 62.24 O ATOM 772 CB LEU A 52 3.194 13.701 12.245 1.00 31.14 C ATOM 773 CG LEU A 52 3.791 12.894 11.092 1.00 22.10 C ATOM 774 CD1 LEU A 52 2.863 12.917 9.888 1.00 61.15 C ATOM 775 CD2 LEU A 52 5.165 13.432 10.720 1.00 51.44 C ATOM 0 H LEU A 52 0.663 12.772 12.058 1.00 21.53 H new ATOM 0 HA LEU A 52 3.019 12.182 13.757 1.00 61.13 H new ATOM 0 HB2 LEU A 52 2.560 14.482 11.825 1.00 31.14 H new ATOM 0 HB3 LEU A 52 4.007 14.200 12.772 1.00 31.14 H new ATOM 0 HG LEU A 52 3.904 11.860 11.417 1.00 22.10 H new ATOM 0 HD11 LEU A 52 3.304 12.337 9.077 1.00 61.15 H new ATOM 0 HD12 LEU A 52 1.901 12.484 10.162 1.00 61.15 H new ATOM 0 HD13 LEU A 52 2.717 13.946 9.561 1.00 61.15 H new ATOM 0 HD21 LEU A 52 5.575 12.846 9.898 1.00 51.44 H new ATOM 0 HD22 LEU A 52 5.077 14.474 10.414 1.00 51.44 H new ATOM 0 HD23 LEU A 52 5.829 13.362 11.582 1.00 51.44 H new ATOM 787 N SER A 53 1.499 13.299 15.493 1.00 22.14 N ATOM 788 CA SER A 53 0.953 14.089 16.590 1.00 3.44 C ATOM 789 C SER A 53 1.831 15.305 16.874 1.00 61.43 C ATOM 790 O SER A 53 2.939 15.420 16.349 1.00 71.11 O ATOM 791 CB SER A 53 0.827 13.232 17.851 1.00 2.13 C ATOM 792 OG SER A 53 2.101 12.835 18.327 1.00 24.24 O ATOM 0 H SER A 53 1.613 12.308 15.703 1.00 22.14 H new ATOM 0 HA SER A 53 -0.037 14.438 16.296 1.00 3.44 H new ATOM 0 HB2 SER A 53 0.305 13.794 18.626 1.00 2.13 H new ATOM 0 HB3 SER A 53 0.224 12.350 17.636 1.00 2.13 H new ATOM 0 HG SER A 53 1.993 12.290 19.134 1.00 24.24 H new ATOM 798 N ASP A 54 1.328 16.209 17.707 1.00 72.42 N ATOM 799 CA ASP A 54 2.065 17.416 18.062 1.00 62.42 C ATOM 800 C ASP A 54 2.058 17.632 19.572 1.00 44.11 C ATOM 801 O ASP A 54 1.014 17.541 20.217 1.00 34.30 O ATOM 802 CB ASP A 54 1.464 18.632 17.357 1.00 53.31 C ATOM 803 CG ASP A 54 2.388 19.205 16.301 1.00 42.41 C ATOM 804 OD1 ASP A 54 2.342 18.727 15.148 1.00 35.01 O ATOM 805 OD2 ASP A 54 3.158 20.133 16.627 1.00 71.10 O ATOM 0 H ASP A 54 0.412 16.129 18.149 1.00 72.42 H new ATOM 0 HA ASP A 54 3.098 17.291 17.736 1.00 62.42 H new ATOM 0 HB2 ASP A 54 0.519 18.349 16.894 1.00 53.31 H new ATOM 0 HB3 ASP A 54 1.239 19.402 18.095 1.00 53.31 H new ATOM 810 N ILE A 55 3.230 17.918 20.129 1.00 45.24 N ATOM 811 CA ILE A 55 3.359 18.147 21.562 1.00 11.44 C ATOM 812 C ILE A 55 3.677 19.609 21.859 1.00 11.00 C ATOM 813 O ILE A 55 4.441 19.915 22.774 1.00 5.11 O ATOM 814 CB ILE A 55 4.456 17.260 22.178 1.00 23.34 C ATOM 815 CG1 ILE A 55 5.705 17.268 21.295 1.00 45.41 C ATOM 816 CG2 ILE A 55 3.945 15.840 22.368 1.00 74.54 C ATOM 817 CD1 ILE A 55 5.706 16.185 20.239 1.00 41.53 C ATOM 0 H ILE A 55 4.104 17.997 19.609 1.00 45.24 H new ATOM 0 HA ILE A 55 2.400 17.888 22.010 1.00 11.44 H new ATOM 0 HB ILE A 55 4.722 17.664 23.155 1.00 23.34 H new ATOM 0 HG12 ILE A 55 5.789 18.239 20.808 1.00 45.41 H new ATOM 0 HG13 ILE A 55 6.586 17.150 21.925 1.00 45.41 H new ATOM 0 HG21 ILE A 55 4.732 15.225 22.804 1.00 74.54 H new ATOM 0 HG22 ILE A 55 3.082 15.850 23.033 1.00 74.54 H new ATOM 0 HG23 ILE A 55 3.654 15.426 21.403 1.00 74.54 H new ATOM 0 HD11 ILE A 55 6.621 16.251 19.651 1.00 41.53 H new ATOM 0 HD12 ILE A 55 5.653 15.208 20.720 1.00 41.53 H new ATOM 0 HD13 ILE A 55 4.844 16.314 19.585 1.00 41.53 H new ATOM 829 N ARG A 56 3.084 20.508 21.080 1.00 33.23 N ATOM 830 CA ARG A 56 3.303 21.938 21.260 1.00 61.12 C ATOM 831 C ARG A 56 2.406 22.747 20.327 1.00 21.14 C ATOM 832 O ARG A 56 2.890 23.472 19.459 1.00 24.10 O ATOM 833 CB ARG A 56 4.770 22.287 21.003 1.00 63.41 C ATOM 834 CG ARG A 56 5.131 23.716 21.374 1.00 74.14 C ATOM 835 CD ARG A 56 4.934 23.972 22.860 1.00 41.55 C ATOM 836 NE ARG A 56 5.682 25.140 23.317 1.00 43.31 N ATOM 837 CZ ARG A 56 5.627 25.608 24.559 1.00 42.20 C ATOM 838 NH1 ARG A 56 4.863 25.010 25.463 1.00 45.21 N ATOM 839 NH2 ARG A 56 6.338 26.676 24.899 1.00 15.11 N ATOM 0 H ARG A 56 2.448 20.271 20.318 1.00 33.23 H new ATOM 0 HA ARG A 56 3.051 22.192 22.290 1.00 61.12 H new ATOM 0 HB2 ARG A 56 5.402 21.603 21.570 1.00 63.41 H new ATOM 0 HB3 ARG A 56 4.993 22.127 19.948 1.00 63.41 H new ATOM 0 HG2 ARG A 56 6.169 23.912 21.104 1.00 74.14 H new ATOM 0 HG3 ARG A 56 4.516 24.409 20.800 1.00 74.14 H new ATOM 0 HD2 ARG A 56 3.873 24.117 23.066 1.00 41.55 H new ATOM 0 HD3 ARG A 56 5.251 23.095 23.424 1.00 41.55 H new ATOM 0 HE ARG A 56 6.279 25.623 22.646 1.00 43.31 H new ATOM 0 HH11 ARG A 56 4.316 24.189 25.205 1.00 45.21 H new ATOM 0 HH12 ARG A 56 4.823 25.371 26.416 1.00 45.21 H new ATOM 0 HH21 ARG A 56 6.927 27.138 24.206 1.00 15.11 H new ATOM 0 HH22 ARG A 56 6.295 27.035 25.853 1.00 15.11 H new ATOM 853 N MET A 57 1.097 22.616 20.514 1.00 53.31 N ATOM 854 CA MET A 57 0.132 23.336 19.690 1.00 64.21 C ATOM 855 C MET A 57 -0.988 23.917 20.546 1.00 31.14 C ATOM 856 O MET A 57 -1.274 23.439 21.644 1.00 34.22 O ATOM 857 CB MET A 57 -0.453 22.407 18.624 1.00 14.34 C ATOM 858 CG MET A 57 -0.850 21.041 19.160 1.00 2.14 C ATOM 859 SD MET A 57 -1.620 20.000 17.906 1.00 20.31 S ATOM 860 CE MET A 57 -1.608 18.410 18.732 1.00 55.41 C ATOM 0 H MET A 57 0.680 22.019 21.228 1.00 53.31 H new ATOM 0 HA MET A 57 0.652 24.158 19.199 1.00 64.21 H new ATOM 0 HB2 MET A 57 -1.328 22.882 18.180 1.00 14.34 H new ATOM 0 HB3 MET A 57 0.278 22.277 17.826 1.00 14.34 H new ATOM 0 HG2 MET A 57 0.034 20.538 19.552 1.00 2.14 H new ATOM 0 HG3 MET A 57 -1.540 21.169 19.994 1.00 2.14 H new ATOM 0 HE1 MET A 57 -2.466 17.823 18.404 1.00 55.41 H new ATOM 0 HE2 MET A 57 -0.689 17.879 18.485 1.00 55.41 H new ATOM 0 HE3 MET A 57 -1.662 18.560 19.810 1.00 55.41 H new ATOM 870 N PRO A 58 -1.638 24.973 20.035 1.00 32.12 N ATOM 871 CA PRO A 58 -2.738 25.641 20.737 1.00 2.44 C ATOM 872 C PRO A 58 -3.993 24.778 20.805 1.00 64.42 C ATOM 873 O PRO A 58 -4.940 24.982 20.047 1.00 61.20 O ATOM 874 CB PRO A 58 -2.993 26.890 19.889 1.00 20.05 C ATOM 875 CG PRO A 58 -2.512 26.527 18.527 1.00 52.41 C ATOM 876 CD PRO A 58 -1.350 25.595 18.732 1.00 12.41 C ATOM 0 HA PRO A 58 -2.487 25.857 21.775 1.00 2.44 H new ATOM 0 HB2 PRO A 58 -4.051 27.152 19.878 1.00 20.05 H new ATOM 0 HB3 PRO A 58 -2.455 27.752 20.282 1.00 20.05 H new ATOM 0 HG2 PRO A 58 -3.301 26.045 17.950 1.00 52.41 H new ATOM 0 HG3 PRO A 58 -2.207 27.414 17.972 1.00 52.41 H new ATOM 0 HD2 PRO A 58 -1.286 24.852 17.937 1.00 12.41 H new ATOM 0 HD3 PRO A 58 -0.401 26.132 18.744 1.00 12.41 H new ATOM 884 N GLY A 59 -3.992 23.811 21.718 1.00 13.43 N ATOM 885 CA GLY A 59 -5.137 22.931 21.868 1.00 45.43 C ATOM 886 C GLY A 59 -5.065 22.097 23.131 1.00 14.33 C ATOM 887 O GLY A 59 -5.909 22.228 24.018 1.00 40.43 O ATOM 0 H GLY A 59 -3.219 23.621 22.356 1.00 13.43 H new ATOM 0 HA2 GLY A 59 -6.050 23.527 21.881 1.00 45.43 H new ATOM 0 HA3 GLY A 59 -5.200 22.271 21.003 1.00 45.43 H new ATOM 891 N MET A 60 -4.057 21.236 23.214 1.00 62.32 N ATOM 892 CA MET A 60 -3.880 20.376 24.379 1.00 43.44 C ATOM 893 C MET A 60 -2.438 19.887 24.479 1.00 54.00 C ATOM 894 O MET A 60 -1.643 20.424 25.250 1.00 42.43 O ATOM 895 CB MET A 60 -4.832 19.182 24.307 1.00 34.52 C ATOM 896 CG MET A 60 -4.578 18.136 25.381 1.00 43.12 C ATOM 897 SD MET A 60 -5.862 16.872 25.438 1.00 13.24 S ATOM 898 CE MET A 60 -5.969 16.419 23.709 1.00 61.31 C ATOM 0 H MET A 60 -3.350 21.115 22.489 1.00 62.32 H new ATOM 0 HA MET A 60 -4.109 20.961 25.270 1.00 43.44 H new ATOM 0 HB2 MET A 60 -5.858 19.540 24.395 1.00 34.52 H new ATOM 0 HB3 MET A 60 -4.741 18.714 23.327 1.00 34.52 H new ATOM 0 HG2 MET A 60 -3.614 17.661 25.199 1.00 43.12 H new ATOM 0 HG3 MET A 60 -4.513 18.627 26.352 1.00 43.12 H new ATOM 0 HE1 MET A 60 -6.686 15.607 23.589 1.00 61.31 H new ATOM 0 HE2 MET A 60 -6.296 17.280 23.127 1.00 61.31 H new ATOM 0 HE3 MET A 60 -4.990 16.094 23.357 1.00 61.31 H new ATOM 908 N ASP A 61 -2.109 18.865 23.696 1.00 14.42 N ATOM 909 CA ASP A 61 -0.763 18.304 23.697 1.00 54.33 C ATOM 910 C ASP A 61 -0.689 17.070 22.804 1.00 71.51 C ATOM 911 O ASP A 61 -1.668 16.698 22.159 1.00 73.41 O ATOM 912 CB ASP A 61 -0.338 17.945 25.121 1.00 10.23 C ATOM 913 CG ASP A 61 0.676 18.921 25.686 1.00 35.02 C ATOM 914 OD1 ASP A 61 1.725 19.126 25.041 1.00 2.52 O ATOM 915 OD2 ASP A 61 0.419 19.480 26.773 1.00 73.22 O ATOM 0 H ASP A 61 -2.756 18.409 23.053 1.00 14.42 H new ATOM 0 HA ASP A 61 -0.081 19.057 23.303 1.00 54.33 H new ATOM 0 HB2 ASP A 61 -1.217 17.925 25.765 1.00 10.23 H new ATOM 0 HB3 ASP A 61 0.085 16.941 25.128 1.00 10.23 H new ATOM 920 N GLY A 62 0.481 16.438 22.771 1.00 11.42 N ATOM 921 CA GLY A 62 0.662 15.253 21.954 1.00 52.24 C ATOM 922 C GLY A 62 0.796 13.992 22.783 1.00 73.40 C ATOM 923 O GLY A 62 0.602 12.885 22.279 1.00 61.53 O ATOM 0 H GLY A 62 1.307 16.726 23.296 1.00 11.42 H new ATOM 0 HA2 GLY A 62 -0.185 15.150 21.276 1.00 52.24 H new ATOM 0 HA3 GLY A 62 1.552 15.374 21.336 1.00 52.24 H new ATOM 927 N LEU A 63 1.129 14.157 24.058 1.00 24.42 N ATOM 928 CA LEU A 63 1.291 13.021 24.960 1.00 50.22 C ATOM 929 C LEU A 63 -0.036 12.298 25.168 1.00 22.00 C ATOM 930 O LEU A 63 -0.119 11.079 25.022 1.00 31.10 O ATOM 931 CB LEU A 63 1.847 13.489 26.306 1.00 33.11 C ATOM 932 CG LEU A 63 3.335 13.841 26.332 1.00 35.34 C ATOM 933 CD1 LEU A 63 3.717 14.444 27.675 1.00 32.31 C ATOM 934 CD2 LEU A 63 4.179 12.609 26.039 1.00 51.21 C ATOM 0 H LEU A 63 1.292 15.066 24.491 1.00 24.42 H new ATOM 0 HA LEU A 63 1.996 12.325 24.505 1.00 50.22 H new ATOM 0 HB2 LEU A 63 1.281 14.364 26.625 1.00 33.11 H new ATOM 0 HB3 LEU A 63 1.666 12.706 27.043 1.00 33.11 H new ATOM 0 HG LEU A 63 3.528 14.582 25.556 1.00 35.34 H new ATOM 0 HD11 LEU A 63 4.779 14.688 27.675 1.00 32.31 H new ATOM 0 HD12 LEU A 63 3.136 15.351 27.845 1.00 32.31 H new ATOM 0 HD13 LEU A 63 3.510 13.726 28.468 1.00 32.31 H new ATOM 0 HD21 LEU A 63 5.235 12.878 26.061 1.00 51.21 H new ATOM 0 HD22 LEU A 63 3.983 11.846 26.792 1.00 51.21 H new ATOM 0 HD23 LEU A 63 3.925 12.220 25.053 1.00 51.21 H new ATOM 946 N ALA A 64 -1.071 13.058 25.508 1.00 53.51 N ATOM 947 CA ALA A 64 -2.395 12.491 25.732 1.00 71.23 C ATOM 948 C ALA A 64 -2.868 11.703 24.514 1.00 4.15 C ATOM 949 O ALA A 64 -3.676 10.782 24.634 1.00 32.41 O ATOM 950 CB ALA A 64 -3.391 13.591 26.070 1.00 64.40 C ATOM 0 H ALA A 64 -1.018 14.069 25.635 1.00 53.51 H new ATOM 0 HA ALA A 64 -2.330 11.803 26.575 1.00 71.23 H new ATOM 0 HB1 ALA A 64 -4.375 13.153 26.235 1.00 64.40 H new ATOM 0 HB2 ALA A 64 -3.069 14.109 26.973 1.00 64.40 H new ATOM 0 HB3 ALA A 64 -3.443 14.301 25.244 1.00 64.40 H new ATOM 956 N LEU A 65 -2.359 12.071 23.344 1.00 53.23 N ATOM 957 CA LEU A 65 -2.730 11.399 22.103 1.00 20.12 C ATOM 958 C LEU A 65 -1.860 10.168 21.870 1.00 41.01 C ATOM 959 O LEU A 65 -2.364 9.087 21.564 1.00 73.22 O ATOM 960 CB LEU A 65 -2.601 12.360 20.921 1.00 42.54 C ATOM 961 CG LEU A 65 -3.319 11.945 19.636 1.00 22.11 C ATOM 962 CD1 LEU A 65 -4.822 12.119 19.785 1.00 73.31 C ATOM 963 CD2 LEU A 65 -2.802 12.749 18.452 1.00 23.11 C ATOM 0 H LEU A 65 -1.688 12.831 23.228 1.00 53.23 H new ATOM 0 HA LEU A 65 -3.768 11.077 22.189 1.00 20.12 H new ATOM 0 HB2 LEU A 65 -2.982 13.334 21.228 1.00 42.54 H new ATOM 0 HB3 LEU A 65 -1.542 12.488 20.697 1.00 42.54 H new ATOM 0 HG LEU A 65 -3.112 10.891 19.451 1.00 22.11 H new ATOM 0 HD11 LEU A 65 -5.316 11.819 18.861 1.00 73.31 H new ATOM 0 HD12 LEU A 65 -5.180 11.499 20.606 1.00 73.31 H new ATOM 0 HD13 LEU A 65 -5.048 13.164 19.994 1.00 73.31 H new ATOM 0 HD21 LEU A 65 -3.324 12.440 17.547 1.00 23.11 H new ATOM 0 HD22 LEU A 65 -2.978 13.810 18.628 1.00 23.11 H new ATOM 0 HD23 LEU A 65 -1.733 12.573 18.332 1.00 23.11 H new ATOM 975 N LEU A 66 -0.551 10.339 22.018 1.00 21.33 N ATOM 976 CA LEU A 66 0.390 9.241 21.826 1.00 25.11 C ATOM 977 C LEU A 66 0.142 8.127 22.838 1.00 4.34 C ATOM 978 O LEU A 66 0.451 6.963 22.585 1.00 60.40 O ATOM 979 CB LEU A 66 1.828 9.748 21.951 1.00 42.22 C ATOM 980 CG LEU A 66 2.927 8.741 21.610 1.00 2.10 C ATOM 981 CD1 LEU A 66 3.026 8.548 20.105 1.00 62.02 C ATOM 982 CD2 LEU A 66 4.263 9.196 22.180 1.00 32.21 C ATOM 0 H LEU A 66 -0.117 11.227 22.270 1.00 21.33 H new ATOM 0 HA LEU A 66 0.239 8.837 20.825 1.00 25.11 H new ATOM 0 HB2 LEU A 66 1.944 10.616 21.301 1.00 42.22 H new ATOM 0 HB3 LEU A 66 1.983 10.092 22.974 1.00 42.22 H new ATOM 0 HG LEU A 66 2.669 7.783 22.062 1.00 2.10 H new ATOM 0 HD11 LEU A 66 3.813 7.828 19.882 1.00 62.02 H new ATOM 0 HD12 LEU A 66 2.075 8.177 19.723 1.00 62.02 H new ATOM 0 HD13 LEU A 66 3.260 9.501 19.631 1.00 62.02 H new ATOM 0 HD21 LEU A 66 5.033 8.467 21.928 1.00 32.21 H new ATOM 0 HD22 LEU A 66 4.528 10.165 21.757 1.00 32.21 H new ATOM 0 HD23 LEU A 66 4.186 9.282 23.264 1.00 32.21 H new ATOM 994 N LYS A 67 -0.419 8.492 23.986 1.00 0.40 N ATOM 995 CA LYS A 67 -0.713 7.525 25.037 1.00 63.25 C ATOM 996 C LYS A 67 -1.784 6.538 24.583 1.00 11.14 C ATOM 997 O LYS A 67 -1.914 5.450 25.143 1.00 13.13 O ATOM 998 CB LYS A 67 -1.171 8.244 26.307 1.00 14.11 C ATOM 999 CG LYS A 67 -0.105 8.313 27.386 1.00 24.41 C ATOM 1000 CD LYS A 67 -0.466 7.449 28.583 1.00 65.53 C ATOM 1001 CE LYS A 67 0.682 7.366 29.577 1.00 4.12 C ATOM 1002 NZ LYS A 67 0.447 8.228 30.769 1.00 72.32 N ATOM 0 H LYS A 67 -0.679 9.452 24.212 1.00 0.40 H new ATOM 0 HA LYS A 67 0.200 6.970 25.252 1.00 63.25 H new ATOM 0 HB2 LYS A 67 -1.481 9.257 26.049 1.00 14.11 H new ATOM 0 HB3 LYS A 67 -2.048 7.734 26.707 1.00 14.11 H new ATOM 0 HG2 LYS A 67 0.851 7.987 26.976 1.00 24.41 H new ATOM 0 HG3 LYS A 67 0.022 9.347 27.707 1.00 24.41 H new ATOM 0 HD2 LYS A 67 -1.347 7.859 29.077 1.00 65.53 H new ATOM 0 HD3 LYS A 67 -0.728 6.447 28.244 1.00 65.53 H new ATOM 0 HE2 LYS A 67 0.812 6.332 29.896 1.00 4.12 H new ATOM 0 HE3 LYS A 67 1.608 7.667 29.088 1.00 4.12 H new ATOM 0 HZ1 LYS A 67 1.252 8.144 31.422 1.00 72.32 H new ATOM 0 HZ2 LYS A 67 0.348 9.218 30.467 1.00 72.32 H new ATOM 0 HZ3 LYS A 67 -0.423 7.925 31.251 1.00 72.32 H new ATOM 1016 N GLN A 68 -2.547 6.926 23.566 1.00 22.42 N ATOM 1017 CA GLN A 68 -3.606 6.074 23.038 1.00 22.43 C ATOM 1018 C GLN A 68 -3.053 5.090 22.012 1.00 3.13 C ATOM 1019 O GLN A 68 -3.287 3.885 22.105 1.00 63.30 O ATOM 1020 CB GLN A 68 -4.706 6.926 22.404 1.00 72.13 C ATOM 1021 CG GLN A 68 -5.919 7.120 23.300 1.00 65.00 C ATOM 1022 CD GLN A 68 -7.228 6.951 22.555 1.00 11.11 C ATOM 1023 OE1 GLN A 68 -8.154 6.303 23.043 1.00 12.04 O ATOM 1024 NE2 GLN A 68 -7.312 7.535 21.365 1.00 13.05 N ATOM 0 H GLN A 68 -2.452 7.824 23.092 1.00 22.42 H new ATOM 0 HA GLN A 68 -4.028 5.506 23.867 1.00 22.43 H new ATOM 0 HB2 GLN A 68 -4.295 7.902 22.147 1.00 72.13 H new ATOM 0 HB3 GLN A 68 -5.024 6.459 21.472 1.00 72.13 H new ATOM 0 HG2 GLN A 68 -5.878 6.404 24.121 1.00 65.00 H new ATOM 0 HG3 GLN A 68 -5.883 8.115 23.743 1.00 65.00 H new ATOM 0 HE21 GLN A 68 -6.520 8.063 20.999 1.00 13.05 H new ATOM 0 HE22 GLN A 68 -8.169 7.456 20.817 1.00 13.05 H new ATOM 1033 N ILE A 69 -2.319 5.612 21.035 1.00 10.13 N ATOM 1034 CA ILE A 69 -1.732 4.779 19.993 1.00 53.43 C ATOM 1035 C ILE A 69 -0.638 3.881 20.558 1.00 62.41 C ATOM 1036 O ILE A 69 -0.302 2.850 19.974 1.00 31.12 O ATOM 1037 CB ILE A 69 -1.143 5.634 18.855 1.00 62.21 C ATOM 1038 CG1 ILE A 69 -0.245 6.733 19.426 1.00 40.20 C ATOM 1039 CG2 ILE A 69 -2.258 6.237 18.013 1.00 25.31 C ATOM 1040 CD1 ILE A 69 0.575 7.450 18.376 1.00 22.31 C ATOM 0 H ILE A 69 -2.117 6.608 20.943 1.00 10.13 H new ATOM 0 HA ILE A 69 -2.535 4.160 19.593 1.00 53.43 H new ATOM 0 HB ILE A 69 -0.538 4.992 18.215 1.00 62.21 H new ATOM 0 HG12 ILE A 69 -0.864 7.460 19.951 1.00 40.20 H new ATOM 0 HG13 ILE A 69 0.427 6.295 20.164 1.00 40.20 H new ATOM 0 HG21 ILE A 69 -1.826 6.838 17.213 1.00 25.31 H new ATOM 0 HG22 ILE A 69 -2.861 5.438 17.581 1.00 25.31 H new ATOM 0 HG23 ILE A 69 -2.888 6.867 18.641 1.00 25.31 H new ATOM 0 HD11 ILE A 69 1.187 8.215 18.853 1.00 22.31 H new ATOM 0 HD12 ILE A 69 1.220 6.734 17.867 1.00 22.31 H new ATOM 0 HD13 ILE A 69 -0.091 7.918 17.651 1.00 22.31 H new ATOM 1052 N LYS A 70 -0.085 4.277 21.699 1.00 11.12 N ATOM 1053 CA LYS A 70 0.970 3.507 22.347 1.00 30.11 C ATOM 1054 C LYS A 70 0.381 2.400 23.216 1.00 54.40 C ATOM 1055 O LYS A 70 0.945 1.312 23.317 1.00 64.32 O ATOM 1056 CB LYS A 70 1.850 4.425 23.199 1.00 70.41 C ATOM 1057 CG LYS A 70 2.863 5.217 22.391 1.00 24.31 C ATOM 1058 CD LYS A 70 3.930 4.314 21.795 1.00 22.52 C ATOM 1059 CE LYS A 70 5.322 4.900 21.975 1.00 13.54 C ATOM 1060 NZ LYS A 70 6.084 4.923 20.696 1.00 22.14 N ATOM 0 H LYS A 70 -0.350 5.128 22.195 1.00 11.12 H new ATOM 0 HA LYS A 70 1.580 3.048 21.569 1.00 30.11 H new ATOM 0 HB2 LYS A 70 1.213 5.119 23.748 1.00 70.41 H new ATOM 0 HB3 LYS A 70 2.378 3.824 23.939 1.00 70.41 H new ATOM 0 HG2 LYS A 70 2.352 5.754 21.592 1.00 24.31 H new ATOM 0 HG3 LYS A 70 3.333 5.965 23.029 1.00 24.31 H new ATOM 0 HD2 LYS A 70 3.883 3.333 22.268 1.00 22.52 H new ATOM 0 HD3 LYS A 70 3.731 4.166 20.734 1.00 22.52 H new ATOM 0 HE2 LYS A 70 5.241 5.914 22.368 1.00 13.54 H new ATOM 0 HE3 LYS A 70 5.870 4.315 22.714 1.00 13.54 H new ATOM 0 HZ1 LYS A 70 7.027 5.329 20.861 1.00 22.14 H new ATOM 0 HZ2 LYS A 70 6.183 3.953 20.334 1.00 22.14 H new ATOM 0 HZ3 LYS A 70 5.575 5.503 19.999 1.00 22.14 H new ATOM 1074 N GLN A 71 -0.758 2.687 23.840 1.00 63.24 N ATOM 1075 CA GLN A 71 -1.423 1.715 24.699 1.00 61.42 C ATOM 1076 C GLN A 71 -2.398 0.858 23.898 1.00 32.02 C ATOM 1077 O GLN A 71 -2.333 -0.371 23.933 1.00 12.11 O ATOM 1078 CB GLN A 71 -2.163 2.427 25.833 1.00 60.44 C ATOM 1079 CG GLN A 71 -1.241 3.145 26.804 1.00 23.24 C ATOM 1080 CD GLN A 71 -0.863 2.285 27.994 1.00 32.15 C ATOM 1081 OE1 GLN A 71 0.229 1.718 28.044 1.00 73.22 O ATOM 1082 NE2 GLN A 71 -1.767 2.184 28.962 1.00 24.33 N ATOM 0 H GLN A 71 -1.238 3.584 23.766 1.00 63.24 H new ATOM 0 HA GLN A 71 -0.661 1.063 25.126 1.00 61.42 H new ATOM 0 HB2 GLN A 71 -2.859 3.148 25.405 1.00 60.44 H new ATOM 0 HB3 GLN A 71 -2.758 1.697 26.382 1.00 60.44 H new ATOM 0 HG2 GLN A 71 -0.336 3.452 26.280 1.00 23.24 H new ATOM 0 HG3 GLN A 71 -1.728 4.054 27.157 1.00 23.24 H new ATOM 0 HE21 GLN A 71 -2.659 2.671 28.879 1.00 24.33 H new ATOM 0 HE22 GLN A 71 -1.569 1.619 29.788 1.00 24.33 H new ATOM 1091 N ARG A 72 -3.302 1.515 23.178 1.00 24.20 N ATOM 1092 CA ARG A 72 -4.292 0.813 22.370 1.00 44.10 C ATOM 1093 C ARG A 72 -3.617 -0.164 21.411 1.00 52.40 C ATOM 1094 O ARG A 72 -3.919 -1.357 21.410 1.00 30.51 O ATOM 1095 CB ARG A 72 -5.140 1.813 21.583 1.00 54.31 C ATOM 1096 CG ARG A 72 -6.531 1.300 21.246 1.00 63.32 C ATOM 1097 CD ARG A 72 -7.467 2.436 20.866 1.00 73.11 C ATOM 1098 NE ARG A 72 -8.792 2.275 21.460 1.00 42.23 N ATOM 1099 CZ ARG A 72 -9.649 3.276 21.627 1.00 43.42 C ATOM 1100 NH1 ARG A 72 -9.322 4.504 21.247 1.00 64.35 N ATOM 1101 NH2 ARG A 72 -10.836 3.051 22.175 1.00 62.20 N ATOM 0 H ARG A 72 -3.369 2.532 23.138 1.00 24.20 H new ATOM 0 HA ARG A 72 -4.938 0.248 23.042 1.00 44.10 H new ATOM 0 HB2 ARG A 72 -5.231 2.733 22.161 1.00 54.31 H new ATOM 0 HB3 ARG A 72 -4.622 2.067 20.658 1.00 54.31 H new ATOM 0 HG2 ARG A 72 -6.468 0.588 20.423 1.00 63.32 H new ATOM 0 HG3 ARG A 72 -6.939 0.762 22.102 1.00 63.32 H new ATOM 0 HD2 ARG A 72 -7.037 3.384 21.190 1.00 73.11 H new ATOM 0 HD3 ARG A 72 -7.559 2.482 19.781 1.00 73.11 H new ATOM 0 HE ARG A 72 -9.074 1.343 21.763 1.00 42.23 H new ATOM 0 HH11 ARG A 72 -8.410 4.682 20.825 1.00 64.35 H new ATOM 0 HH12 ARG A 72 -9.982 5.271 21.376 1.00 64.35 H new ATOM 0 HH21 ARG A 72 -11.092 2.108 22.469 1.00 62.20 H new ATOM 0 HH22 ARG A 72 -11.493 3.821 22.303 1.00 62.20 H new ATOM 1115 N HIS A 73 -2.703 0.352 20.595 1.00 10.02 N ATOM 1116 CA HIS A 73 -1.986 -0.474 19.631 1.00 25.51 C ATOM 1117 C HIS A 73 -0.692 0.204 19.190 1.00 20.12 C ATOM 1118 O HIS A 73 -0.629 0.859 18.150 1.00 55.22 O ATOM 1119 CB HIS A 73 -2.867 -0.757 18.414 1.00 31.43 C ATOM 1120 CG HIS A 73 -3.832 0.346 18.104 1.00 64.40 C ATOM 1121 ND1 HIS A 73 -5.191 0.235 18.304 1.00 34.21 N ATOM 1122 CD2 HIS A 73 -3.626 1.588 17.607 1.00 70.43 C ATOM 1123 CE1 HIS A 73 -5.781 1.360 17.942 1.00 43.23 C ATOM 1124 NE2 HIS A 73 -4.853 2.198 17.515 1.00 22.22 N ATOM 0 H HIS A 73 -2.442 1.338 20.582 1.00 10.02 H new ATOM 0 HA HIS A 73 -1.735 -1.418 20.115 1.00 25.51 H new ATOM 0 HB2 HIS A 73 -2.230 -0.926 17.546 1.00 31.43 H new ATOM 0 HB3 HIS A 73 -3.424 -1.678 18.585 1.00 31.43 H new ATOM 0 HD2 HIS A 73 -2.674 2.019 17.334 1.00 70.43 H new ATOM 0 HE1 HIS A 73 -6.841 1.561 17.987 1.00 43.23 H new ATOM 0 HE2 HIS A 73 -5.021 3.144 17.173 1.00 22.22 H new ATOM 1132 N PRO A 74 0.366 0.045 20.000 1.00 52.05 N ATOM 1133 CA PRO A 74 1.677 0.635 19.714 1.00 70.25 C ATOM 1134 C PRO A 74 2.364 -0.028 18.524 1.00 13.22 C ATOM 1135 O PRO A 74 3.419 0.420 18.076 1.00 11.05 O ATOM 1136 CB PRO A 74 2.469 0.379 20.998 1.00 13.55 C ATOM 1137 CG PRO A 74 1.822 -0.814 21.611 1.00 34.41 C ATOM 1138 CD PRO A 74 0.363 -0.723 21.256 1.00 64.11 C ATOM 0 HA PRO A 74 1.600 1.689 19.447 1.00 70.25 H new ATOM 0 HB2 PRO A 74 3.521 0.192 20.783 1.00 13.55 H new ATOM 0 HB3 PRO A 74 2.428 1.239 21.667 1.00 13.55 H new ATOM 0 HG2 PRO A 74 2.260 -1.736 21.228 1.00 34.41 H new ATOM 0 HG3 PRO A 74 1.961 -0.821 22.692 1.00 34.41 H new ATOM 0 HD2 PRO A 74 -0.081 -1.710 21.123 1.00 64.11 H new ATOM 0 HD3 PRO A 74 -0.209 -0.219 22.034 1.00 64.11 H new ATOM 1146 N MET A 75 1.758 -1.096 18.017 1.00 72.22 N ATOM 1147 CA MET A 75 2.311 -1.819 16.878 1.00 62.15 C ATOM 1148 C MET A 75 2.275 -0.959 15.618 1.00 31.03 C ATOM 1149 O MET A 75 3.002 -1.216 14.657 1.00 35.24 O ATOM 1150 CB MET A 75 1.536 -3.118 16.645 1.00 42.51 C ATOM 1151 CG MET A 75 1.989 -4.263 17.535 1.00 22.40 C ATOM 1152 SD MET A 75 3.469 -5.084 16.912 1.00 51.02 S ATOM 1153 CE MET A 75 2.836 -5.831 15.412 1.00 54.30 C ATOM 0 H MET A 75 0.884 -1.480 18.377 1.00 72.22 H new ATOM 0 HA MET A 75 3.350 -2.060 17.103 1.00 62.15 H new ATOM 0 HB2 MET A 75 0.475 -2.934 16.815 1.00 42.51 H new ATOM 0 HB3 MET A 75 1.645 -3.414 15.602 1.00 42.51 H new ATOM 0 HG2 MET A 75 2.184 -3.883 18.538 1.00 22.40 H new ATOM 0 HG3 MET A 75 1.183 -4.992 17.621 1.00 22.40 H new ATOM 0 HE1 MET A 75 3.099 -6.889 15.393 1.00 54.30 H new ATOM 0 HE2 MET A 75 1.751 -5.726 15.383 1.00 54.30 H new ATOM 0 HE3 MET A 75 3.272 -5.333 14.546 1.00 54.30 H new ATOM 1163 N LEU A 76 1.425 0.062 15.629 1.00 4.21 N ATOM 1164 CA LEU A 76 1.294 0.961 14.487 1.00 24.52 C ATOM 1165 C LEU A 76 2.447 1.959 14.445 1.00 72.13 C ATOM 1166 O LEU A 76 2.890 2.477 15.470 1.00 31.20 O ATOM 1167 CB LEU A 76 -0.040 1.706 14.550 1.00 4.44 C ATOM 1168 CG LEU A 76 0.030 3.170 14.989 1.00 72.31 C ATOM 1169 CD1 LEU A 76 0.291 4.073 13.794 1.00 54.23 C ATOM 1170 CD2 LEU A 76 -1.255 3.576 15.697 1.00 63.24 C ATOM 0 H LEU A 76 0.816 0.288 16.416 1.00 4.21 H new ATOM 0 HA LEU A 76 1.325 0.361 13.578 1.00 24.52 H new ATOM 0 HB2 LEU A 76 -0.504 1.665 13.564 1.00 4.44 H new ATOM 0 HB3 LEU A 76 -0.699 1.173 15.235 1.00 4.44 H new ATOM 0 HG LEU A 76 0.858 3.281 15.689 1.00 72.31 H new ATOM 0 HD11 LEU A 76 0.338 5.110 14.125 1.00 54.23 H new ATOM 0 HD12 LEU A 76 1.238 3.797 13.330 1.00 54.23 H new ATOM 0 HD13 LEU A 76 -0.515 3.959 13.069 1.00 54.23 H new ATOM 0 HD21 LEU A 76 -1.188 4.620 16.002 1.00 63.24 H new ATOM 0 HD22 LEU A 76 -2.099 3.450 15.019 1.00 63.24 H new ATOM 0 HD23 LEU A 76 -1.399 2.949 16.577 1.00 63.24 H new ATOM 1182 N PRO A 77 2.944 2.238 13.231 1.00 54.35 N ATOM 1183 CA PRO A 77 4.049 3.179 13.025 1.00 60.22 C ATOM 1184 C PRO A 77 3.640 4.622 13.298 1.00 43.45 C ATOM 1185 O PRO A 77 2.707 5.140 12.685 1.00 54.24 O ATOM 1186 CB PRO A 77 4.402 2.993 11.547 1.00 3.20 C ATOM 1187 CG PRO A 77 3.148 2.492 10.918 1.00 43.42 C ATOM 1188 CD PRO A 77 2.464 1.658 11.965 1.00 61.10 C ATOM 0 HA PRO A 77 4.880 2.987 13.703 1.00 60.22 H new ATOM 0 HB2 PRO A 77 4.724 3.932 11.096 1.00 3.20 H new ATOM 0 HB3 PRO A 77 5.219 2.283 11.422 1.00 3.20 H new ATOM 0 HG2 PRO A 77 2.513 3.319 10.602 1.00 43.42 H new ATOM 0 HG3 PRO A 77 3.367 1.900 10.029 1.00 43.42 H new ATOM 0 HD2 PRO A 77 1.379 1.719 11.881 1.00 61.10 H new ATOM 0 HD3 PRO A 77 2.732 0.605 11.878 1.00 61.10 H new ATOM 1196 N VAL A 78 4.346 5.268 14.221 1.00 73.01 N ATOM 1197 CA VAL A 78 4.057 6.653 14.574 1.00 60.14 C ATOM 1198 C VAL A 78 5.314 7.512 14.501 1.00 24.14 C ATOM 1199 O VAL A 78 6.411 7.053 14.822 1.00 62.32 O ATOM 1200 CB VAL A 78 3.457 6.758 15.988 1.00 0.53 C ATOM 1201 CG1 VAL A 78 3.202 8.213 16.353 1.00 32.10 C ATOM 1202 CG2 VAL A 78 2.176 5.943 16.086 1.00 44.25 C ATOM 0 H VAL A 78 5.122 4.854 14.738 1.00 73.01 H new ATOM 0 HA VAL A 78 3.328 7.019 13.851 1.00 60.14 H new ATOM 0 HB VAL A 78 4.175 6.350 16.699 1.00 0.53 H new ATOM 0 HG11 VAL A 78 2.778 8.268 17.356 1.00 32.10 H new ATOM 0 HG12 VAL A 78 4.142 8.765 16.326 1.00 32.10 H new ATOM 0 HG13 VAL A 78 2.504 8.650 15.639 1.00 32.10 H new ATOM 0 HG21 VAL A 78 1.766 6.029 17.092 1.00 44.25 H new ATOM 0 HG22 VAL A 78 1.450 6.318 15.365 1.00 44.25 H new ATOM 0 HG23 VAL A 78 2.393 4.897 15.871 1.00 44.25 H new ATOM 1212 N ILE A 79 5.148 8.761 14.079 1.00 33.32 N ATOM 1213 CA ILE A 79 6.269 9.685 13.967 1.00 64.34 C ATOM 1214 C ILE A 79 6.033 10.940 14.799 1.00 51.42 C ATOM 1215 O ILE A 79 4.949 11.525 14.765 1.00 64.50 O ATOM 1216 CB ILE A 79 6.518 10.092 12.502 1.00 3.14 C ATOM 1217 CG1 ILE A 79 6.573 8.852 11.607 1.00 3.34 C ATOM 1218 CG2 ILE A 79 7.807 10.893 12.387 1.00 32.21 C ATOM 1219 CD1 ILE A 79 6.729 9.174 10.138 1.00 44.43 C ATOM 0 H ILE A 79 4.247 9.156 13.809 1.00 33.32 H new ATOM 0 HA ILE A 79 7.148 9.163 14.345 1.00 64.34 H new ATOM 0 HB ILE A 79 5.692 10.720 12.169 1.00 3.14 H new ATOM 0 HG12 ILE A 79 7.405 8.222 11.923 1.00 3.34 H new ATOM 0 HG13 ILE A 79 5.662 8.271 11.749 1.00 3.34 H new ATOM 0 HG21 ILE A 79 7.970 11.173 11.346 1.00 32.21 H new ATOM 0 HG22 ILE A 79 7.732 11.793 12.998 1.00 32.21 H new ATOM 0 HG23 ILE A 79 8.644 10.287 12.734 1.00 32.21 H new ATOM 0 HD11 ILE A 79 6.761 8.248 9.564 1.00 44.43 H new ATOM 0 HD12 ILE A 79 5.884 9.778 9.806 1.00 44.43 H new ATOM 0 HD13 ILE A 79 7.655 9.729 9.983 1.00 44.43 H new ATOM 1231 N ILE A 80 7.054 11.351 15.543 1.00 31.04 N ATOM 1232 CA ILE A 80 6.958 12.539 16.382 1.00 51.30 C ATOM 1233 C ILE A 80 7.306 13.798 15.594 1.00 31.31 C ATOM 1234 O ILE A 80 8.359 13.875 14.962 1.00 2.03 O ATOM 1235 CB ILE A 80 7.887 12.441 17.607 1.00 74.34 C ATOM 1236 CG1 ILE A 80 7.751 11.067 18.268 1.00 50.54 C ATOM 1237 CG2 ILE A 80 7.570 13.547 18.602 1.00 43.23 C ATOM 1238 CD1 ILE A 80 6.338 10.741 18.698 1.00 60.25 C ATOM 0 H ILE A 80 7.957 10.879 15.582 1.00 31.04 H new ATOM 0 HA ILE A 80 5.925 12.600 16.724 1.00 51.30 H new ATOM 0 HB ILE A 80 8.918 12.563 17.274 1.00 74.34 H new ATOM 0 HG12 ILE A 80 8.096 10.302 17.572 1.00 50.54 H new ATOM 0 HG13 ILE A 80 8.406 11.025 19.138 1.00 50.54 H new ATOM 0 HG21 ILE A 80 8.235 13.464 19.462 1.00 43.23 H new ATOM 0 HG22 ILE A 80 7.712 14.517 18.125 1.00 43.23 H new ATOM 0 HG23 ILE A 80 6.536 13.453 18.933 1.00 43.23 H new ATOM 0 HD11 ILE A 80 6.316 9.753 19.158 1.00 60.25 H new ATOM 0 HD12 ILE A 80 5.996 11.484 19.418 1.00 60.25 H new ATOM 0 HD13 ILE A 80 5.682 10.750 17.828 1.00 60.25 H new ATOM 1250 N MET A 81 6.414 14.782 15.638 1.00 42.12 N ATOM 1251 CA MET A 81 6.629 16.039 14.930 1.00 12.12 C ATOM 1252 C MET A 81 6.307 17.230 15.828 1.00 64.14 C ATOM 1253 O MET A 81 5.198 17.347 16.349 1.00 73.32 O ATOM 1254 CB MET A 81 5.768 16.091 13.666 1.00 21.04 C ATOM 1255 CG MET A 81 5.655 17.482 13.065 1.00 12.41 C ATOM 1256 SD MET A 81 4.988 17.463 11.390 1.00 63.12 S ATOM 1257 CE MET A 81 3.268 17.085 11.714 1.00 31.43 C ATOM 0 H MET A 81 5.536 14.734 16.156 1.00 42.12 H new ATOM 0 HA MET A 81 7.680 16.093 14.647 1.00 12.12 H new ATOM 0 HB2 MET A 81 6.189 15.415 12.921 1.00 21.04 H new ATOM 0 HB3 MET A 81 4.769 15.723 13.901 1.00 21.04 H new ATOM 0 HG2 MET A 81 5.016 18.097 13.699 1.00 12.41 H new ATOM 0 HG3 MET A 81 6.639 17.950 13.055 1.00 12.41 H new ATOM 0 HE1 MET A 81 2.876 16.458 10.913 1.00 31.43 H new ATOM 0 HE2 MET A 81 3.184 16.556 12.663 1.00 31.43 H new ATOM 0 HE3 MET A 81 2.695 18.011 11.763 1.00 31.43 H new ATOM 1267 N THR A 82 7.285 18.113 16.005 1.00 64.12 N ATOM 1268 CA THR A 82 7.107 19.294 16.840 1.00 20.33 C ATOM 1269 C THR A 82 8.342 20.186 16.802 1.00 24.13 C ATOM 1270 O THR A 82 9.265 19.951 16.023 1.00 42.43 O ATOM 1271 CB THR A 82 6.811 18.908 18.302 1.00 51.11 C ATOM 1272 OG1 THR A 82 6.339 20.051 19.024 1.00 3.11 O ATOM 1273 CG2 THR A 82 8.056 18.353 18.978 1.00 75.12 C ATOM 0 H THR A 82 8.209 18.032 15.581 1.00 64.12 H new ATOM 0 HA THR A 82 6.255 19.841 16.436 1.00 20.33 H new ATOM 0 HB THR A 82 6.042 18.135 18.302 1.00 51.11 H new ATOM 0 HG1 THR A 82 6.728 20.054 19.923 1.00 3.11 H new ATOM 0 HG21 THR A 82 7.822 18.088 20.009 1.00 75.12 H new ATOM 0 HG22 THR A 82 8.396 17.466 18.443 1.00 75.12 H new ATOM 0 HG23 THR A 82 8.843 19.107 18.967 1.00 75.12 H new ATOM 1281 N ALA A 83 8.354 21.210 17.650 1.00 74.43 N ATOM 1282 CA ALA A 83 9.478 22.135 17.714 1.00 15.45 C ATOM 1283 C ALA A 83 10.367 21.836 18.916 1.00 31.04 C ATOM 1284 O ALA A 83 10.233 20.792 19.556 1.00 61.03 O ATOM 1285 CB ALA A 83 8.976 23.571 17.771 1.00 63.11 C ATOM 0 H ALA A 83 7.598 21.419 18.302 1.00 74.43 H new ATOM 0 HA ALA A 83 10.076 22.005 16.812 1.00 15.45 H new ATOM 0 HB1 ALA A 83 9.826 24.252 17.819 1.00 63.11 H new ATOM 0 HB2 ALA A 83 8.388 23.786 16.879 1.00 63.11 H new ATOM 0 HB3 ALA A 83 8.354 23.704 18.656 1.00 63.11 H new ATOM 1291 N HIS A 84 11.276 22.758 19.219 1.00 73.24 N ATOM 1292 CA HIS A 84 12.188 22.592 20.345 1.00 71.23 C ATOM 1293 C HIS A 84 11.424 22.225 21.613 1.00 13.44 C ATOM 1294 O HIS A 84 11.947 21.533 22.487 1.00 53.15 O ATOM 1295 CB HIS A 84 12.991 23.873 20.571 1.00 12.10 C ATOM 1296 CG HIS A 84 12.161 25.023 21.053 1.00 73.20 C ATOM 1297 ND1 HIS A 84 12.480 25.766 22.170 1.00 63.22 N ATOM 1298 CD2 HIS A 84 11.018 25.557 20.562 1.00 41.12 C ATOM 1299 CE1 HIS A 84 11.569 26.706 22.346 1.00 43.23 C ATOM 1300 NE2 HIS A 84 10.671 26.602 21.383 1.00 61.41 N ATOM 0 H HIS A 84 11.400 23.627 18.700 1.00 73.24 H new ATOM 0 HA HIS A 84 12.875 21.779 20.108 1.00 71.23 H new ATOM 0 HB2 HIS A 84 13.779 23.675 21.298 1.00 12.10 H new ATOM 0 HB3 HIS A 84 13.481 24.154 19.639 1.00 12.10 H new ATOM 0 HD2 HIS A 84 10.479 25.223 19.687 1.00 41.12 H new ATOM 0 HE1 HIS A 84 11.560 27.436 23.142 1.00 43.23 H new ATOM 0 HE2 HIS A 84 9.853 27.200 21.268 1.00 61.41 H new ATOM 1308 N SER A 85 10.184 22.695 21.708 1.00 11.33 N ATOM 1309 CA SER A 85 9.349 22.421 22.872 1.00 25.12 C ATOM 1310 C SER A 85 9.048 20.930 22.985 1.00 31.40 C ATOM 1311 O SER A 85 8.640 20.292 22.014 1.00 44.22 O ATOM 1312 CB SER A 85 8.043 23.212 22.787 1.00 12.12 C ATOM 1313 OG SER A 85 8.220 24.411 22.053 1.00 14.45 O ATOM 0 H SER A 85 9.735 23.267 20.993 1.00 11.33 H new ATOM 0 HA SER A 85 9.896 22.732 23.762 1.00 25.12 H new ATOM 0 HB2 SER A 85 7.275 22.602 22.313 1.00 12.12 H new ATOM 0 HB3 SER A 85 7.690 23.446 23.791 1.00 12.12 H new ATOM 0 HG SER A 85 8.320 25.163 22.674 1.00 14.45 H new ATOM 1319 N ASP A 86 9.251 20.380 24.177 1.00 2.12 N ATOM 1320 CA ASP A 86 9.001 18.964 24.419 1.00 15.02 C ATOM 1321 C ASP A 86 9.921 18.096 23.567 1.00 21.11 C ATOM 1322 O ASP A 86 9.673 16.903 23.384 1.00 44.20 O ATOM 1323 CB ASP A 86 7.539 18.625 24.121 1.00 22.34 C ATOM 1324 CG ASP A 86 6.699 18.530 25.380 1.00 72.24 C ATOM 1325 OD1 ASP A 86 6.815 19.428 26.240 1.00 33.20 O ATOM 1326 OD2 ASP A 86 5.925 17.558 25.504 1.00 53.14 O ATOM 0 H ASP A 86 9.588 20.894 24.991 1.00 2.12 H new ATOM 0 HA ASP A 86 9.208 18.758 25.469 1.00 15.02 H new ATOM 0 HB2 ASP A 86 7.119 19.387 23.464 1.00 22.34 H new ATOM 0 HB3 ASP A 86 7.491 17.678 23.583 1.00 22.34 H new ATOM 1331 N LEU A 87 10.983 18.702 23.048 1.00 61.54 N ATOM 1332 CA LEU A 87 11.941 17.984 22.213 1.00 1.24 C ATOM 1333 C LEU A 87 12.555 16.813 22.973 1.00 32.42 C ATOM 1334 O LEU A 87 13.046 15.858 22.371 1.00 71.14 O ATOM 1335 CB LEU A 87 13.044 18.932 21.738 1.00 14.21 C ATOM 1336 CG LEU A 87 14.278 18.272 21.124 1.00 23.51 C ATOM 1337 CD1 LEU A 87 13.922 17.591 19.811 1.00 4.14 C ATOM 1338 CD2 LEU A 87 15.383 19.297 20.913 1.00 14.01 C ATOM 0 H LEU A 87 11.203 19.688 23.190 1.00 61.54 H new ATOM 0 HA LEU A 87 11.408 17.592 21.347 1.00 1.24 H new ATOM 0 HB2 LEU A 87 12.617 19.614 21.002 1.00 14.21 H new ATOM 0 HB3 LEU A 87 13.365 19.538 22.586 1.00 14.21 H new ATOM 0 HG LEU A 87 14.642 17.513 21.816 1.00 23.51 H new ATOM 0 HD11 LEU A 87 14.813 17.127 19.389 1.00 4.14 H new ATOM 0 HD12 LEU A 87 13.165 16.827 19.991 1.00 4.14 H new ATOM 0 HD13 LEU A 87 13.532 18.331 19.112 1.00 4.14 H new ATOM 0 HD21 LEU A 87 16.254 18.809 20.475 1.00 14.01 H new ATOM 0 HD22 LEU A 87 15.030 20.080 20.241 1.00 14.01 H new ATOM 0 HD23 LEU A 87 15.658 19.738 21.871 1.00 14.01 H new ATOM 1350 N ASP A 88 12.521 16.891 24.299 1.00 42.42 N ATOM 1351 CA ASP A 88 13.071 15.836 25.142 1.00 61.03 C ATOM 1352 C ASP A 88 12.443 14.488 24.804 1.00 74.34 C ATOM 1353 O ASP A 88 13.086 13.445 24.919 1.00 5.31 O ATOM 1354 CB ASP A 88 12.844 16.163 26.618 1.00 35.34 C ATOM 1355 CG ASP A 88 13.986 15.695 27.498 1.00 65.23 C ATOM 1356 OD1 ASP A 88 15.094 16.259 27.381 1.00 40.24 O ATOM 1357 OD2 ASP A 88 13.774 14.763 28.302 1.00 14.43 O ATOM 0 H ASP A 88 12.118 17.674 24.813 1.00 42.42 H new ATOM 0 HA ASP A 88 14.143 15.775 24.953 1.00 61.03 H new ATOM 0 HB2 ASP A 88 12.718 17.240 26.733 1.00 35.34 H new ATOM 0 HB3 ASP A 88 11.917 15.696 26.952 1.00 35.34 H new ATOM 1362 N ALA A 89 11.181 14.517 24.386 1.00 21.55 N ATOM 1363 CA ALA A 89 10.466 13.297 24.031 1.00 41.21 C ATOM 1364 C ALA A 89 11.045 12.670 22.767 1.00 30.02 C ATOM 1365 O ALA A 89 10.877 11.476 22.523 1.00 64.41 O ATOM 1366 CB ALA A 89 8.984 13.589 23.846 1.00 2.03 C ATOM 0 H ALA A 89 10.633 15.372 24.285 1.00 21.55 H new ATOM 0 HA ALA A 89 10.586 12.584 24.847 1.00 41.21 H new ATOM 0 HB1 ALA A 89 8.462 12.669 23.581 1.00 2.03 H new ATOM 0 HB2 ALA A 89 8.573 13.985 24.774 1.00 2.03 H new ATOM 0 HB3 ALA A 89 8.854 14.322 23.050 1.00 2.03 H new ATOM 1372 N ALA A 90 11.726 13.484 21.967 1.00 61.41 N ATOM 1373 CA ALA A 90 12.331 13.008 20.729 1.00 32.40 C ATOM 1374 C ALA A 90 13.274 11.839 20.993 1.00 72.43 C ATOM 1375 O ALA A 90 13.456 10.970 20.139 1.00 5.52 O ATOM 1376 CB ALA A 90 13.072 14.140 20.034 1.00 3.14 C ATOM 0 H ALA A 90 11.873 14.476 22.154 1.00 61.41 H new ATOM 0 HA ALA A 90 11.533 12.656 20.075 1.00 32.40 H new ATOM 0 HB1 ALA A 90 13.519 13.770 19.111 1.00 3.14 H new ATOM 0 HB2 ALA A 90 12.373 14.944 19.802 1.00 3.14 H new ATOM 0 HB3 ALA A 90 13.856 14.519 20.690 1.00 3.14 H new ATOM 1382 N VAL A 91 13.872 11.823 22.180 1.00 75.40 N ATOM 1383 CA VAL A 91 14.796 10.760 22.556 1.00 31.32 C ATOM 1384 C VAL A 91 14.051 9.565 23.142 1.00 40.34 C ATOM 1385 O VAL A 91 14.195 8.438 22.668 1.00 12.22 O ATOM 1386 CB VAL A 91 15.834 11.255 23.580 1.00 2.32 C ATOM 1387 CG1 VAL A 91 16.909 10.202 23.803 1.00 0.44 C ATOM 1388 CG2 VAL A 91 16.450 12.568 23.121 1.00 11.41 C ATOM 0 H VAL A 91 13.733 12.534 22.898 1.00 75.40 H new ATOM 0 HA VAL A 91 15.311 10.453 21.646 1.00 31.32 H new ATOM 0 HB VAL A 91 15.328 11.429 24.529 1.00 2.32 H new ATOM 0 HG11 VAL A 91 17.633 10.570 24.530 1.00 0.44 H new ATOM 0 HG12 VAL A 91 16.450 9.288 24.179 1.00 0.44 H new ATOM 0 HG13 VAL A 91 17.415 9.993 22.860 1.00 0.44 H new ATOM 0 HG21 VAL A 91 17.181 12.904 23.856 1.00 11.41 H new ATOM 0 HG22 VAL A 91 16.943 12.422 22.160 1.00 11.41 H new ATOM 0 HG23 VAL A 91 15.668 13.320 23.018 1.00 11.41 H new ATOM 1398 N SER A 92 13.254 9.820 24.174 1.00 12.23 N ATOM 1399 CA SER A 92 12.488 8.765 24.827 1.00 11.13 C ATOM 1400 C SER A 92 11.680 7.969 23.807 1.00 64.22 C ATOM 1401 O SER A 92 11.605 6.743 23.879 1.00 62.42 O ATOM 1402 CB SER A 92 11.553 9.362 25.881 1.00 52.12 C ATOM 1403 OG SER A 92 12.127 9.286 27.174 1.00 32.12 O ATOM 0 H SER A 92 13.122 10.748 24.576 1.00 12.23 H new ATOM 0 HA SER A 92 13.190 8.089 25.315 1.00 11.13 H new ATOM 0 HB2 SER A 92 11.340 10.402 25.635 1.00 52.12 H new ATOM 0 HB3 SER A 92 10.601 8.830 25.870 1.00 52.12 H new ATOM 0 HG SER A 92 11.511 9.675 27.829 1.00 32.12 H new ATOM 1409 N ALA A 93 11.078 8.676 22.857 1.00 53.13 N ATOM 1410 CA ALA A 93 10.277 8.037 21.820 1.00 63.32 C ATOM 1411 C ALA A 93 11.055 6.915 21.139 1.00 11.33 C ATOM 1412 O ALA A 93 10.550 5.803 20.982 1.00 2.32 O ATOM 1413 CB ALA A 93 9.823 9.065 20.794 1.00 24.22 C ATOM 0 H ALA A 93 11.130 9.692 22.784 1.00 53.13 H new ATOM 0 HA ALA A 93 9.398 7.600 22.293 1.00 63.32 H new ATOM 0 HB1 ALA A 93 9.226 8.573 20.026 1.00 24.22 H new ATOM 0 HB2 ALA A 93 9.222 9.830 21.286 1.00 24.22 H new ATOM 0 HB3 ALA A 93 10.695 9.529 20.334 1.00 24.22 H new ATOM 1419 N TYR A 94 12.285 7.215 20.737 1.00 72.43 N ATOM 1420 CA TYR A 94 13.131 6.232 20.070 1.00 41.22 C ATOM 1421 C TYR A 94 13.228 4.950 20.891 1.00 61.12 C ATOM 1422 O TYR A 94 13.013 3.853 20.376 1.00 42.24 O ATOM 1423 CB TYR A 94 14.529 6.808 19.835 1.00 73.41 C ATOM 1424 CG TYR A 94 14.586 7.819 18.712 1.00 24.23 C ATOM 1425 CD1 TYR A 94 13.999 7.553 17.481 1.00 2.32 C ATOM 1426 CD2 TYR A 94 15.229 9.039 18.882 1.00 14.00 C ATOM 1427 CE1 TYR A 94 14.050 8.474 16.452 1.00 31.22 C ATOM 1428 CE2 TYR A 94 15.283 9.966 17.859 1.00 11.03 C ATOM 1429 CZ TYR A 94 14.692 9.679 16.646 1.00 23.24 C ATOM 1430 OH TYR A 94 14.746 10.599 15.625 1.00 75.04 O ATOM 0 H TYR A 94 12.718 8.130 20.861 1.00 72.43 H new ATOM 0 HA TYR A 94 12.677 5.992 19.108 1.00 41.22 H new ATOM 0 HB2 TYR A 94 14.878 7.278 20.754 1.00 73.41 H new ATOM 0 HB3 TYR A 94 15.217 5.992 19.613 1.00 73.41 H new ATOM 0 HD1 TYR A 94 13.494 6.611 17.326 1.00 2.32 H new ATOM 0 HD2 TYR A 94 15.694 9.266 19.830 1.00 14.00 H new ATOM 0 HE1 TYR A 94 13.589 8.251 15.501 1.00 31.22 H new ATOM 0 HE2 TYR A 94 15.785 10.910 18.008 1.00 11.03 H new ATOM 0 HH TYR A 94 15.233 11.394 15.927 1.00 75.04 H new ATOM 1440 N GLN A 95 13.553 5.098 22.171 1.00 11.01 N ATOM 1441 CA GLN A 95 13.679 3.952 23.064 1.00 13.32 C ATOM 1442 C GLN A 95 12.324 3.291 23.296 1.00 51.41 C ATOM 1443 O GLN A 95 12.248 2.100 23.595 1.00 53.02 O ATOM 1444 CB GLN A 95 14.284 4.385 24.401 1.00 74.11 C ATOM 1445 CG GLN A 95 15.676 4.982 24.274 1.00 72.01 C ATOM 1446 CD GLN A 95 16.000 5.951 25.394 1.00 55.45 C ATOM 1447 OE1 GLN A 95 15.129 6.681 25.869 1.00 5.41 O ATOM 1448 NE2 GLN A 95 17.257 5.964 25.821 1.00 35.54 N ATOM 0 H GLN A 95 13.734 5.999 22.613 1.00 11.01 H new ATOM 0 HA GLN A 95 14.341 3.226 22.592 1.00 13.32 H new ATOM 0 HB2 GLN A 95 13.625 5.117 24.868 1.00 74.11 H new ATOM 0 HB3 GLN A 95 14.327 3.523 25.067 1.00 74.11 H new ATOM 0 HG2 GLN A 95 16.413 4.179 24.269 1.00 72.01 H new ATOM 0 HG3 GLN A 95 15.760 5.497 23.317 1.00 72.01 H new ATOM 0 HE21 GLN A 95 17.946 5.342 25.398 1.00 35.54 H new ATOM 0 HE22 GLN A 95 17.534 6.596 26.572 1.00 35.54 H new ATOM 1457 N GLN A 96 11.258 4.073 23.156 1.00 0.02 N ATOM 1458 CA GLN A 96 9.906 3.563 23.352 1.00 62.34 C ATOM 1459 C GLN A 96 9.418 2.826 22.109 1.00 33.41 C ATOM 1460 O GLN A 96 8.473 2.040 22.172 1.00 24.44 O ATOM 1461 CB GLN A 96 8.950 4.708 23.689 1.00 72.03 C ATOM 1462 CG GLN A 96 8.410 4.652 25.109 1.00 61.13 C ATOM 1463 CD GLN A 96 7.784 5.961 25.547 1.00 11.02 C ATOM 1464 OE1 GLN A 96 8.471 6.971 25.698 1.00 4.43 O ATOM 1465 NE2 GLN A 96 6.472 5.950 25.754 1.00 43.30 N ATOM 0 H GLN A 96 11.304 5.061 22.908 1.00 0.02 H new ATOM 0 HA GLN A 96 9.927 2.860 24.185 1.00 62.34 H new ATOM 0 HB2 GLN A 96 9.467 5.657 23.543 1.00 72.03 H new ATOM 0 HB3 GLN A 96 8.114 4.690 22.990 1.00 72.03 H new ATOM 0 HG2 GLN A 96 7.668 3.857 25.180 1.00 61.13 H new ATOM 0 HG3 GLN A 96 9.220 4.394 25.792 1.00 61.13 H new ATOM 0 HE21 GLN A 96 5.941 5.090 25.617 1.00 43.30 H new ATOM 0 HE22 GLN A 96 5.995 6.802 26.050 1.00 43.30 H new ATOM 1474 N GLY A 97 10.068 3.086 20.979 1.00 72.54 N ATOM 1475 CA GLY A 97 9.685 2.439 19.737 1.00 13.11 C ATOM 1476 C GLY A 97 9.203 3.427 18.693 1.00 1.35 C ATOM 1477 O GLY A 97 8.248 3.156 17.967 1.00 53.42 O ATOM 0 H GLY A 97 10.853 3.733 20.901 1.00 72.54 H new ATOM 0 HA2 GLY A 97 10.536 1.884 19.342 1.00 13.11 H new ATOM 0 HA3 GLY A 97 8.897 1.713 19.937 1.00 13.11 H new ATOM 1481 N ALA A 98 9.865 4.577 18.620 1.00 41.32 N ATOM 1482 CA ALA A 98 9.499 5.609 17.657 1.00 1.14 C ATOM 1483 C ALA A 98 10.103 5.320 16.287 1.00 14.40 C ATOM 1484 O ALA A 98 11.038 4.530 16.164 1.00 62.34 O ATOM 1485 CB ALA A 98 9.944 6.976 18.155 1.00 40.43 C ATOM 0 H ALA A 98 10.657 4.818 19.216 1.00 41.32 H new ATOM 0 HA ALA A 98 8.414 5.608 17.554 1.00 1.14 H new ATOM 0 HB1 ALA A 98 9.665 7.737 17.427 1.00 40.43 H new ATOM 0 HB2 ALA A 98 9.461 7.191 19.108 1.00 40.43 H new ATOM 0 HB3 ALA A 98 11.026 6.980 18.288 1.00 40.43 H new ATOM 1491 N PHE A 99 9.561 5.966 15.259 1.00 30.33 N ATOM 1492 CA PHE A 99 10.045 5.777 13.897 1.00 62.32 C ATOM 1493 C PHE A 99 11.105 6.818 13.547 1.00 74.42 C ATOM 1494 O PHE A 99 12.223 6.476 13.161 1.00 33.23 O ATOM 1495 CB PHE A 99 8.884 5.861 12.904 1.00 60.50 C ATOM 1496 CG PHE A 99 9.222 5.331 11.540 1.00 63.02 C ATOM 1497 CD1 PHE A 99 9.061 3.987 11.244 1.00 11.01 C ATOM 1498 CD2 PHE A 99 9.702 6.177 10.553 1.00 4.22 C ATOM 1499 CE1 PHE A 99 9.371 3.496 9.990 1.00 51.44 C ATOM 1500 CE2 PHE A 99 10.014 5.692 9.297 1.00 53.42 C ATOM 1501 CZ PHE A 99 9.849 4.350 9.015 1.00 11.31 C ATOM 0 H PHE A 99 8.787 6.625 15.344 1.00 30.33 H new ATOM 0 HA PHE A 99 10.498 4.787 13.833 1.00 62.32 H new ATOM 0 HB2 PHE A 99 8.036 5.304 13.301 1.00 60.50 H new ATOM 0 HB3 PHE A 99 8.569 6.900 12.813 1.00 60.50 H new ATOM 0 HD1 PHE A 99 8.689 3.315 12.003 1.00 11.01 H new ATOM 0 HD2 PHE A 99 9.834 7.227 10.768 1.00 4.22 H new ATOM 0 HE1 PHE A 99 9.240 2.446 9.773 1.00 51.44 H new ATOM 0 HE2 PHE A 99 10.387 6.362 8.536 1.00 53.42 H new ATOM 0 HZ PHE A 99 10.093 3.969 8.034 1.00 11.31 H new ATOM 1511 N ASP A 100 10.744 8.089 13.684 1.00 70.24 N ATOM 1512 CA ASP A 100 11.662 9.181 13.383 1.00 65.23 C ATOM 1513 C ASP A 100 11.084 10.518 13.835 1.00 73.12 C ATOM 1514 O ASP A 100 9.951 10.586 14.312 1.00 32.10 O ATOM 1515 CB ASP A 100 11.965 9.223 11.884 1.00 23.41 C ATOM 1516 CG ASP A 100 13.430 8.974 11.582 1.00 20.23 C ATOM 1517 OD1 ASP A 100 14.286 9.629 12.213 1.00 31.04 O ATOM 1518 OD2 ASP A 100 13.721 8.123 10.716 1.00 54.24 O ATOM 0 H ASP A 100 9.822 8.388 14.002 1.00 70.24 H new ATOM 0 HA ASP A 100 12.589 9.004 13.928 1.00 65.23 H new ATOM 0 HB2 ASP A 100 11.359 8.475 11.373 1.00 23.41 H new ATOM 0 HB3 ASP A 100 11.675 10.195 11.485 1.00 23.41 H new ATOM 1523 N TYR A 101 11.869 11.578 13.682 1.00 0.34 N ATOM 1524 CA TYR A 101 11.436 12.913 14.078 1.00 1.22 C ATOM 1525 C TYR A 101 11.302 13.825 12.863 1.00 45.34 C ATOM 1526 O TYR A 101 12.300 14.261 12.286 1.00 73.05 O ATOM 1527 CB TYR A 101 12.425 13.517 15.077 1.00 54.50 C ATOM 1528 CG TYR A 101 11.926 14.787 15.730 1.00 70.13 C ATOM 1529 CD1 TYR A 101 10.707 14.817 16.396 1.00 70.14 C ATOM 1530 CD2 TYR A 101 12.675 15.956 15.681 1.00 13.51 C ATOM 1531 CE1 TYR A 101 10.247 15.975 16.993 1.00 64.35 C ATOM 1532 CE2 TYR A 101 12.224 17.119 16.277 1.00 73.44 C ATOM 1533 CZ TYR A 101 11.009 17.123 16.931 1.00 63.25 C ATOM 1534 OH TYR A 101 10.556 18.278 17.525 1.00 34.12 O ATOM 0 H TYR A 101 12.808 11.539 13.287 1.00 0.34 H new ATOM 0 HA TYR A 101 10.459 12.825 14.552 1.00 1.22 H new ATOM 0 HB2 TYR A 101 12.642 12.781 15.851 1.00 54.50 H new ATOM 0 HB3 TYR A 101 13.364 13.726 14.565 1.00 54.50 H new ATOM 0 HD1 TYR A 101 10.109 13.919 16.448 1.00 70.14 H new ATOM 0 HD2 TYR A 101 13.626 15.956 15.169 1.00 13.51 H new ATOM 0 HE1 TYR A 101 9.296 15.981 17.505 1.00 64.35 H new ATOM 0 HE2 TYR A 101 12.819 18.019 16.231 1.00 73.44 H new ATOM 0 HH TYR A 101 10.442 18.973 16.844 1.00 34.12 H new ATOM 1544 N LEU A 102 10.063 14.111 12.479 1.00 21.11 N ATOM 1545 CA LEU A 102 9.796 14.972 11.332 1.00 3.23 C ATOM 1546 C LEU A 102 9.156 16.284 11.774 1.00 53.20 C ATOM 1547 O LEU A 102 7.951 16.495 11.630 1.00 64.15 O ATOM 1548 CB LEU A 102 8.885 14.257 10.334 1.00 54.14 C ATOM 1549 CG LEU A 102 8.803 14.875 8.938 1.00 52.45 C ATOM 1550 CD1 LEU A 102 10.148 14.784 8.234 1.00 72.04 C ATOM 1551 CD2 LEU A 102 7.720 14.192 8.114 1.00 4.54 C ATOM 0 H LEU A 102 9.227 13.759 12.945 1.00 21.11 H new ATOM 0 HA LEU A 102 10.747 15.198 10.849 1.00 3.23 H new ATOM 0 HB2 LEU A 102 9.227 13.227 10.234 1.00 54.14 H new ATOM 0 HB3 LEU A 102 7.879 14.220 10.753 1.00 54.14 H new ATOM 0 HG LEU A 102 8.541 15.928 9.043 1.00 52.45 H new ATOM 0 HD11 LEU A 102 10.070 15.229 7.242 1.00 72.04 H new ATOM 0 HD12 LEU A 102 10.899 15.320 8.814 1.00 72.04 H new ATOM 0 HD13 LEU A 102 10.440 13.738 8.141 1.00 72.04 H new ATOM 0 HD21 LEU A 102 7.676 14.645 7.124 1.00 4.54 H new ATOM 0 HD22 LEU A 102 7.951 13.131 8.018 1.00 4.54 H new ATOM 0 HD23 LEU A 102 6.757 14.310 8.610 1.00 4.54 H new ATOM 1563 N PRO A 103 9.979 17.189 12.324 1.00 51.33 N ATOM 1564 CA PRO A 103 9.515 18.498 12.795 1.00 23.30 C ATOM 1565 C PRO A 103 9.111 19.417 11.648 1.00 43.33 C ATOM 1566 O PRO A 103 9.504 19.205 10.500 1.00 1.33 O ATOM 1567 CB PRO A 103 10.734 19.062 13.529 1.00 0.42 C ATOM 1568 CG PRO A 103 11.902 18.381 12.904 1.00 21.24 C ATOM 1569 CD PRO A 103 11.426 17.005 12.527 1.00 13.40 C ATOM 0 HA PRO A 103 8.625 18.415 13.419 1.00 23.30 H new ATOM 0 HB2 PRO A 103 10.799 20.144 13.415 1.00 0.42 H new ATOM 0 HB3 PRO A 103 10.682 18.857 14.598 1.00 0.42 H new ATOM 0 HG2 PRO A 103 12.249 18.928 12.027 1.00 21.24 H new ATOM 0 HG3 PRO A 103 12.740 18.327 13.599 1.00 21.24 H new ATOM 0 HD2 PRO A 103 11.916 16.644 11.623 1.00 13.40 H new ATOM 0 HD3 PRO A 103 11.632 16.279 13.313 1.00 13.40 H new ATOM 1577 N LYS A 104 8.325 20.440 11.964 1.00 15.14 N ATOM 1578 CA LYS A 104 7.868 21.394 10.961 1.00 40.32 C ATOM 1579 C LYS A 104 8.423 22.787 11.242 1.00 12.01 C ATOM 1580 O LYS A 104 8.820 23.109 12.362 1.00 33.33 O ATOM 1581 CB LYS A 104 6.339 21.440 10.929 1.00 73.30 C ATOM 1582 CG LYS A 104 5.696 21.256 12.293 1.00 62.41 C ATOM 1583 CD LYS A 104 6.116 22.351 13.259 1.00 32.53 C ATOM 1584 CE LYS A 104 4.987 22.717 14.211 1.00 60.13 C ATOM 1585 NZ LYS A 104 5.449 22.770 15.625 1.00 22.04 N ATOM 0 H LYS A 104 7.991 20.630 12.909 1.00 15.14 H new ATOM 0 HA LYS A 104 8.236 21.064 9.989 1.00 40.32 H new ATOM 0 HB2 LYS A 104 6.021 22.396 10.513 1.00 73.30 H new ATOM 0 HB3 LYS A 104 5.975 20.663 10.257 1.00 73.30 H new ATOM 0 HG2 LYS A 104 4.611 21.258 12.188 1.00 62.41 H new ATOM 0 HG3 LYS A 104 5.975 20.284 12.700 1.00 62.41 H new ATOM 0 HD2 LYS A 104 6.983 22.020 13.831 1.00 32.53 H new ATOM 0 HD3 LYS A 104 6.422 23.235 12.699 1.00 32.53 H new ATOM 0 HE2 LYS A 104 4.573 23.685 13.928 1.00 60.13 H new ATOM 0 HE3 LYS A 104 4.183 21.987 14.119 1.00 60.13 H new ATOM 0 HZ1 LYS A 104 4.798 23.361 16.181 1.00 22.04 H new ATOM 0 HZ2 LYS A 104 5.467 21.808 16.021 1.00 22.04 H new ATOM 0 HZ3 LYS A 104 6.405 23.178 15.663 1.00 22.04 H new ATOM 1599 N PRO A 105 8.451 23.635 10.203 1.00 33.21 N ATOM 1600 CA PRO A 105 7.982 23.263 8.865 1.00 35.21 C ATOM 1601 C PRO A 105 8.900 22.250 8.189 1.00 11.25 C ATOM 1602 O PRO A 105 10.091 22.177 8.494 1.00 54.10 O ATOM 1603 CB PRO A 105 7.996 24.590 8.102 1.00 30.05 C ATOM 1604 CG PRO A 105 9.013 25.420 8.806 1.00 2.22 C ATOM 1605 CD PRO A 105 8.943 25.022 10.254 1.00 30.35 C ATOM 0 HA PRO A 105 7.004 22.783 8.895 1.00 35.21 H new ATOM 0 HB2 PRO A 105 8.261 24.442 7.055 1.00 30.05 H new ATOM 0 HB3 PRO A 105 7.016 25.067 8.118 1.00 30.05 H new ATOM 0 HG2 PRO A 105 10.009 25.243 8.401 1.00 2.22 H new ATOM 0 HG3 PRO A 105 8.803 26.482 8.683 1.00 2.22 H new ATOM 0 HD2 PRO A 105 9.919 25.085 10.736 1.00 30.35 H new ATOM 0 HD3 PRO A 105 8.268 25.667 10.816 1.00 30.35 H new ATOM 1613 N PHE A 106 8.339 21.471 7.271 1.00 64.24 N ATOM 1614 CA PHE A 106 9.108 20.462 6.552 1.00 64.41 C ATOM 1615 C PHE A 106 8.693 20.404 5.085 1.00 41.02 C ATOM 1616 O PHE A 106 7.816 21.149 4.647 1.00 3.30 O ATOM 1617 CB PHE A 106 8.921 19.089 7.201 1.00 34.20 C ATOM 1618 CG PHE A 106 7.522 18.554 7.079 1.00 44.12 C ATOM 1619 CD1 PHE A 106 7.154 17.784 5.988 1.00 61.43 C ATOM 1620 CD2 PHE A 106 6.576 18.822 8.055 1.00 24.42 C ATOM 1621 CE1 PHE A 106 5.868 17.291 5.873 1.00 51.15 C ATOM 1622 CE2 PHE A 106 5.289 18.331 7.946 1.00 54.44 C ATOM 1623 CZ PHE A 106 4.934 17.564 6.853 1.00 4.32 C ATOM 0 H PHE A 106 7.355 21.519 7.007 1.00 64.24 H new ATOM 0 HA PHE A 106 10.161 20.740 6.603 1.00 64.41 H new ATOM 0 HB2 PHE A 106 9.613 18.382 6.743 1.00 34.20 H new ATOM 0 HB3 PHE A 106 9.185 19.156 8.256 1.00 34.20 H new ATOM 0 HD1 PHE A 106 7.880 17.566 5.219 1.00 61.43 H new ATOM 0 HD2 PHE A 106 6.848 19.422 8.911 1.00 24.42 H new ATOM 0 HE1 PHE A 106 5.594 16.692 5.017 1.00 51.15 H new ATOM 0 HE2 PHE A 106 4.561 18.547 8.714 1.00 54.44 H new ATOM 0 HZ PHE A 106 3.929 17.179 6.765 1.00 4.32 H new ATOM 1633 N ASP A 107 9.329 19.515 4.331 1.00 64.34 N ATOM 1634 CA ASP A 107 9.027 19.358 2.913 1.00 53.54 C ATOM 1635 C ASP A 107 8.146 18.136 2.677 1.00 73.34 C ATOM 1636 O ASP A 107 8.611 16.998 2.759 1.00 53.44 O ATOM 1637 CB ASP A 107 10.319 19.235 2.104 1.00 41.10 C ATOM 1638 CG ASP A 107 11.008 20.571 1.907 1.00 65.10 C ATOM 1639 OD1 ASP A 107 10.531 21.575 2.477 1.00 65.14 O ATOM 1640 OD2 ASP A 107 12.025 20.612 1.184 1.00 45.22 O ATOM 0 H ASP A 107 10.058 18.891 4.678 1.00 64.34 H new ATOM 0 HA ASP A 107 8.484 20.244 2.583 1.00 53.54 H new ATOM 0 HB2 ASP A 107 10.998 18.550 2.612 1.00 41.10 H new ATOM 0 HB3 ASP A 107 10.095 18.798 1.131 1.00 41.10 H new ATOM 1645 N ILE A 108 6.872 18.378 2.385 1.00 63.15 N ATOM 1646 CA ILE A 108 5.927 17.296 2.137 1.00 51.42 C ATOM 1647 C ILE A 108 6.472 16.316 1.104 1.00 32.42 C ATOM 1648 O ILE A 108 6.104 15.141 1.094 1.00 74.20 O ATOM 1649 CB ILE A 108 4.569 17.836 1.649 1.00 3.13 C ATOM 1650 CG1 ILE A 108 4.693 18.377 0.223 1.00 22.13 C ATOM 1651 CG2 ILE A 108 4.061 18.919 2.590 1.00 60.42 C ATOM 1652 CD1 ILE A 108 5.538 19.628 0.123 1.00 70.44 C ATOM 0 H ILE A 108 6.471 19.313 2.314 1.00 63.15 H new ATOM 0 HA ILE A 108 5.784 16.778 3.085 1.00 51.42 H new ATOM 0 HB ILE A 108 3.849 17.018 1.645 1.00 3.13 H new ATOM 0 HG12 ILE A 108 5.125 17.605 -0.414 1.00 22.13 H new ATOM 0 HG13 ILE A 108 3.697 18.589 -0.164 1.00 22.13 H new ATOM 0 HG21 ILE A 108 3.101 19.291 2.232 1.00 60.42 H new ATOM 0 HG22 ILE A 108 3.939 18.504 3.591 1.00 60.42 H new ATOM 0 HG23 ILE A 108 4.778 19.739 2.622 1.00 60.42 H new ATOM 0 HD11 ILE A 108 5.582 19.955 -0.916 1.00 70.44 H new ATOM 0 HD12 ILE A 108 5.096 20.416 0.733 1.00 70.44 H new ATOM 0 HD13 ILE A 108 6.546 19.416 0.480 1.00 70.44 H new ATOM 1664 N ASP A 109 7.352 16.805 0.238 1.00 1.32 N ATOM 1665 CA ASP A 109 7.951 15.971 -0.797 1.00 50.44 C ATOM 1666 C ASP A 109 8.670 14.774 -0.183 1.00 54.21 C ATOM 1667 O ASP A 109 8.634 13.671 -0.727 1.00 41.35 O ATOM 1668 CB ASP A 109 8.929 16.791 -1.640 1.00 51.53 C ATOM 1669 CG ASP A 109 8.341 17.198 -2.977 1.00 62.14 C ATOM 1670 OD1 ASP A 109 7.148 17.567 -3.014 1.00 64.52 O ATOM 1671 OD2 ASP A 109 9.074 17.148 -3.987 1.00 3.21 O ATOM 0 H ASP A 109 7.667 17.775 0.232 1.00 1.32 H new ATOM 0 HA ASP A 109 7.151 15.601 -1.439 1.00 50.44 H new ATOM 0 HB2 ASP A 109 9.220 17.684 -1.087 1.00 51.53 H new ATOM 0 HB3 ASP A 109 9.836 16.210 -1.807 1.00 51.53 H new ATOM 1676 N GLU A 110 9.322 15.001 0.953 1.00 35.21 N ATOM 1677 CA GLU A 110 10.050 13.940 1.640 1.00 50.54 C ATOM 1678 C GLU A 110 9.128 13.164 2.575 1.00 15.32 C ATOM 1679 O GLU A 110 9.404 12.018 2.927 1.00 65.02 O ATOM 1680 CB GLU A 110 11.222 14.526 2.431 1.00 74.22 C ATOM 1681 CG GLU A 110 12.121 15.432 1.606 1.00 34.23 C ATOM 1682 CD GLU A 110 12.624 14.761 0.343 1.00 51.11 C ATOM 1683 OE1 GLU A 110 11.820 14.590 -0.598 1.00 3.13 O ATOM 1684 OE2 GLU A 110 13.820 14.407 0.295 1.00 43.23 O ATOM 0 H GLU A 110 9.361 15.909 1.417 1.00 35.21 H new ATOM 0 HA GLU A 110 10.436 13.253 0.887 1.00 50.54 H new ATOM 0 HB2 GLU A 110 10.832 15.090 3.278 1.00 74.22 H new ATOM 0 HB3 GLU A 110 11.819 13.710 2.839 1.00 74.22 H new ATOM 0 HG2 GLU A 110 11.573 16.336 1.339 1.00 34.23 H new ATOM 0 HG3 GLU A 110 12.972 15.742 2.212 1.00 34.23 H new ATOM 1691 N ALA A 111 8.030 13.798 2.975 1.00 41.52 N ATOM 1692 CA ALA A 111 7.066 13.168 3.868 1.00 51.11 C ATOM 1693 C ALA A 111 6.195 12.167 3.117 1.00 53.02 C ATOM 1694 O ALA A 111 5.902 11.083 3.621 1.00 34.11 O ATOM 1695 CB ALA A 111 6.201 14.224 4.540 1.00 34.21 C ATOM 0 H ALA A 111 7.786 14.748 2.694 1.00 41.52 H new ATOM 0 HA ALA A 111 7.619 12.625 4.635 1.00 51.11 H new ATOM 0 HB1 ALA A 111 5.485 13.739 5.204 1.00 34.21 H new ATOM 0 HB2 ALA A 111 6.833 14.898 5.118 1.00 34.21 H new ATOM 0 HB3 ALA A 111 5.664 14.792 3.780 1.00 34.21 H new ATOM 1701 N VAL A 112 5.783 12.538 1.909 1.00 73.44 N ATOM 1702 CA VAL A 112 4.945 11.672 1.088 1.00 71.44 C ATOM 1703 C VAL A 112 5.536 10.270 0.986 1.00 4.23 C ATOM 1704 O VAL A 112 4.811 9.276 1.005 1.00 11.41 O ATOM 1705 CB VAL A 112 4.765 12.245 -0.331 1.00 24.03 C ATOM 1706 CG1 VAL A 112 3.987 11.273 -1.205 1.00 4.40 C ATOM 1707 CG2 VAL A 112 4.071 13.597 -0.274 1.00 43.42 C ATOM 0 H VAL A 112 6.016 13.432 1.477 1.00 73.44 H new ATOM 0 HA VAL A 112 3.972 11.619 1.577 1.00 71.44 H new ATOM 0 HB VAL A 112 5.750 12.386 -0.775 1.00 24.03 H new ATOM 0 HG11 VAL A 112 3.870 11.695 -2.203 1.00 4.40 H new ATOM 0 HG12 VAL A 112 4.529 10.329 -1.271 1.00 4.40 H new ATOM 0 HG13 VAL A 112 3.004 11.097 -0.768 1.00 4.40 H new ATOM 0 HG21 VAL A 112 3.952 13.988 -1.285 1.00 43.42 H new ATOM 0 HG22 VAL A 112 3.091 13.484 0.189 1.00 43.42 H new ATOM 0 HG23 VAL A 112 4.672 14.290 0.314 1.00 43.42 H new ATOM 1717 N ALA A 113 6.859 10.199 0.879 1.00 21.51 N ATOM 1718 CA ALA A 113 7.549 8.919 0.777 1.00 21.44 C ATOM 1719 C ALA A 113 7.797 8.317 2.157 1.00 40.52 C ATOM 1720 O ALA A 113 7.878 7.098 2.308 1.00 33.34 O ATOM 1721 CB ALA A 113 8.863 9.085 0.028 1.00 12.22 C ATOM 0 H ALA A 113 7.474 11.013 0.861 1.00 21.51 H new ATOM 0 HA ALA A 113 6.910 8.234 0.220 1.00 21.44 H new ATOM 0 HB1 ALA A 113 9.367 8.121 -0.040 1.00 12.22 H new ATOM 0 HB2 ALA A 113 8.665 9.463 -0.975 1.00 12.22 H new ATOM 0 HB3 ALA A 113 9.500 9.790 0.562 1.00 12.22 H new ATOM 1727 N LEU A 114 7.918 9.180 3.160 1.00 50.13 N ATOM 1728 CA LEU A 114 8.158 8.734 4.528 1.00 73.02 C ATOM 1729 C LEU A 114 6.892 8.137 5.136 1.00 44.24 C ATOM 1730 O LEU A 114 6.958 7.328 6.061 1.00 75.20 O ATOM 1731 CB LEU A 114 8.649 9.901 5.387 1.00 73.51 C ATOM 1732 CG LEU A 114 8.604 9.685 6.900 1.00 14.31 C ATOM 1733 CD1 LEU A 114 9.732 8.767 7.343 1.00 61.15 C ATOM 1734 CD2 LEU A 114 8.680 11.018 7.631 1.00 64.11 C ATOM 0 H LEU A 114 7.854 10.192 3.052 1.00 50.13 H new ATOM 0 HA LEU A 114 8.926 7.961 4.503 1.00 73.02 H new ATOM 0 HB2 LEU A 114 9.676 10.128 5.103 1.00 73.51 H new ATOM 0 HB3 LEU A 114 8.050 10.780 5.147 1.00 73.51 H new ATOM 0 HG LEU A 114 7.657 9.208 7.151 1.00 14.31 H new ATOM 0 HD11 LEU A 114 9.683 8.625 8.423 1.00 61.15 H new ATOM 0 HD12 LEU A 114 9.633 7.802 6.846 1.00 61.15 H new ATOM 0 HD13 LEU A 114 10.690 9.214 7.079 1.00 61.15 H new ATOM 0 HD21 LEU A 114 8.647 10.845 8.707 1.00 64.11 H new ATOM 0 HD22 LEU A 114 9.611 11.522 7.373 1.00 64.11 H new ATOM 0 HD23 LEU A 114 7.836 11.643 7.337 1.00 64.11 H new ATOM 1746 N VAL A 115 5.741 8.541 4.608 1.00 62.24 N ATOM 1747 CA VAL A 115 4.460 8.044 5.096 1.00 63.34 C ATOM 1748 C VAL A 115 4.338 6.539 4.883 1.00 31.03 C ATOM 1749 O VAL A 115 3.912 5.809 5.778 1.00 53.24 O ATOM 1750 CB VAL A 115 3.282 8.747 4.396 1.00 10.24 C ATOM 1751 CG1 VAL A 115 1.958 8.160 4.860 1.00 72.40 C ATOM 1752 CG2 VAL A 115 3.329 10.246 4.653 1.00 34.12 C ATOM 0 H VAL A 115 5.669 9.211 3.842 1.00 62.24 H new ATOM 0 HA VAL A 115 4.421 8.262 6.163 1.00 63.34 H new ATOM 0 HB VAL A 115 3.369 8.582 3.322 1.00 10.24 H new ATOM 0 HG11 VAL A 115 1.137 8.669 4.355 1.00 72.40 H new ATOM 0 HG12 VAL A 115 1.928 7.097 4.621 1.00 72.40 H new ATOM 0 HG13 VAL A 115 1.859 8.293 5.937 1.00 72.40 H new ATOM 0 HG21 VAL A 115 2.490 10.728 4.151 1.00 34.12 H new ATOM 0 HG22 VAL A 115 3.267 10.433 5.725 1.00 34.12 H new ATOM 0 HG23 VAL A 115 4.264 10.652 4.267 1.00 34.12 H new ATOM 1762 N GLU A 116 4.715 6.082 3.693 1.00 2.12 N ATOM 1763 CA GLU A 116 4.647 4.663 3.364 1.00 41.22 C ATOM 1764 C GLU A 116 5.876 3.924 3.885 1.00 42.02 C ATOM 1765 O GLU A 116 5.858 2.703 4.044 1.00 45.44 O ATOM 1766 CB GLU A 116 4.528 4.474 1.850 1.00 32.52 C ATOM 1767 CG GLU A 116 3.508 5.393 1.200 1.00 52.10 C ATOM 1768 CD GLU A 116 2.092 5.120 1.670 1.00 24.52 C ATOM 1769 OE1 GLU A 116 1.702 3.934 1.717 1.00 24.04 O ATOM 1770 OE2 GLU A 116 1.375 6.090 1.990 1.00 30.04 O ATOM 0 H GLU A 116 5.070 6.673 2.941 1.00 2.12 H new ATOM 0 HA GLU A 116 3.763 4.246 3.846 1.00 41.22 H new ATOM 0 HB2 GLU A 116 5.503 4.646 1.393 1.00 32.52 H new ATOM 0 HB3 GLU A 116 4.257 3.439 1.642 1.00 32.52 H new ATOM 0 HG2 GLU A 116 3.766 6.429 1.420 1.00 52.10 H new ATOM 0 HG3 GLU A 116 3.556 5.275 0.117 1.00 52.10 H new ATOM 1777 N ARG A 117 6.942 4.673 4.148 1.00 21.22 N ATOM 1778 CA ARG A 117 8.181 4.089 4.649 1.00 13.42 C ATOM 1779 C ARG A 117 7.901 3.123 5.796 1.00 23.24 C ATOM 1780 O ARG A 117 8.443 2.019 5.837 1.00 65.21 O ATOM 1781 CB ARG A 117 9.135 5.190 5.116 1.00 23.35 C ATOM 1782 CG ARG A 117 10.377 5.327 4.251 1.00 70.13 C ATOM 1783 CD ARG A 117 11.645 5.328 5.091 1.00 74.42 C ATOM 1784 NE ARG A 117 12.808 5.770 4.326 1.00 14.13 N ATOM 1785 CZ ARG A 117 14.046 5.767 4.806 1.00 45.54 C ATOM 1786 NH1 ARG A 117 14.282 5.347 6.041 1.00 40.22 N ATOM 1787 NH2 ARG A 117 15.053 6.185 4.049 1.00 51.34 N ATOM 0 H ARG A 117 6.973 5.685 4.023 1.00 21.22 H new ATOM 0 HA ARG A 117 8.648 3.534 3.835 1.00 13.42 H new ATOM 0 HB2 ARG A 117 8.602 6.141 5.125 1.00 23.35 H new ATOM 0 HB3 ARG A 117 9.438 4.985 6.143 1.00 23.35 H new ATOM 0 HG2 ARG A 117 10.415 4.506 3.535 1.00 70.13 H new ATOM 0 HG3 ARG A 117 10.320 6.251 3.675 1.00 70.13 H new ATOM 0 HD2 ARG A 117 11.508 5.981 5.953 1.00 74.42 H new ATOM 0 HD3 ARG A 117 11.825 4.325 5.477 1.00 74.42 H new ATOM 0 HE ARG A 117 12.661 6.099 3.372 1.00 14.13 H new ATOM 0 HH11 ARG A 117 13.511 5.025 6.626 1.00 40.22 H new ATOM 0 HH12 ARG A 117 15.234 5.346 6.406 1.00 40.22 H new ATOM 0 HH21 ARG A 117 14.876 6.509 3.098 1.00 51.34 H new ATOM 0 HH22 ARG A 117 16.004 6.183 4.418 1.00 51.34 H new ATOM 1801 N ALA A 118 7.052 3.546 6.727 1.00 41.53 N ATOM 1802 CA ALA A 118 6.700 2.718 7.873 1.00 14.33 C ATOM 1803 C ALA A 118 5.567 1.757 7.529 1.00 53.51 C ATOM 1804 O ALA A 118 5.597 0.586 7.908 1.00 11.32 O ATOM 1805 CB ALA A 118 6.311 3.593 9.056 1.00 24.34 C ATOM 0 H ALA A 118 6.595 4.458 6.710 1.00 41.53 H new ATOM 0 HA ALA A 118 7.574 2.126 8.144 1.00 14.33 H new ATOM 0 HB1 ALA A 118 6.050 2.962 9.905 1.00 24.34 H new ATOM 0 HB2 ALA A 118 7.150 4.235 9.325 1.00 24.34 H new ATOM 0 HB3 ALA A 118 5.454 4.210 8.786 1.00 24.34 H new ATOM 1811 N ILE A 119 4.569 2.260 6.810 1.00 40.15 N ATOM 1812 CA ILE A 119 3.427 1.445 6.414 1.00 12.34 C ATOM 1813 C ILE A 119 3.879 0.161 5.728 1.00 30.45 C ATOM 1814 O ILE A 119 3.276 -0.897 5.909 1.00 30.24 O ATOM 1815 CB ILE A 119 2.486 2.215 5.469 1.00 44.35 C ATOM 1816 CG1 ILE A 119 1.996 3.501 6.137 1.00 4.50 C ATOM 1817 CG2 ILE A 119 1.309 1.340 5.064 1.00 2.42 C ATOM 1818 CD1 ILE A 119 1.404 4.499 5.166 1.00 33.15 C ATOM 0 H ILE A 119 4.528 3.228 6.490 1.00 40.15 H new ATOM 0 HA ILE A 119 2.887 1.195 7.327 1.00 12.34 H new ATOM 0 HB ILE A 119 3.040 2.484 4.570 1.00 44.35 H new ATOM 0 HG12 ILE A 119 1.247 3.248 6.887 1.00 4.50 H new ATOM 0 HG13 ILE A 119 2.829 3.968 6.663 1.00 4.50 H new ATOM 0 HG21 ILE A 119 0.653 1.899 4.396 1.00 2.42 H new ATOM 0 HG22 ILE A 119 1.676 0.451 4.552 1.00 2.42 H new ATOM 0 HG23 ILE A 119 0.753 1.043 5.953 1.00 2.42 H new ATOM 0 HD11 ILE A 119 1.078 5.386 5.709 1.00 33.15 H new ATOM 0 HD12 ILE A 119 2.157 4.781 4.430 1.00 33.15 H new ATOM 0 HD13 ILE A 119 0.550 4.050 4.658 1.00 33.15 H new ATOM 1830 N SER A 120 4.946 0.260 4.942 1.00 54.24 N ATOM 1831 CA SER A 120 5.478 -0.894 4.227 1.00 43.45 C ATOM 1832 C SER A 120 5.717 -2.061 5.180 1.00 40.33 C ATOM 1833 O SER A 120 5.343 -3.198 4.893 1.00 75.31 O ATOM 1834 CB SER A 120 6.783 -0.524 3.518 1.00 0.44 C ATOM 1835 OG SER A 120 6.580 -0.368 2.125 1.00 65.35 O ATOM 0 H SER A 120 5.459 1.127 4.784 1.00 54.24 H new ATOM 0 HA SER A 120 4.743 -1.200 3.483 1.00 43.45 H new ATOM 0 HB2 SER A 120 7.178 0.401 3.937 1.00 0.44 H new ATOM 0 HB3 SER A 120 7.529 -1.299 3.695 1.00 0.44 H new ATOM 0 HG SER A 120 7.428 -0.130 1.695 1.00 65.35 H new ATOM 1841 N HIS A 121 6.344 -1.770 6.316 1.00 75.34 N ATOM 1842 CA HIS A 121 6.633 -2.795 7.313 1.00 54.22 C ATOM 1843 C HIS A 121 5.360 -3.531 7.720 1.00 32.00 C ATOM 1844 O HIS A 121 5.407 -4.688 8.139 1.00 2.33 O ATOM 1845 CB HIS A 121 7.289 -2.168 8.543 1.00 11.12 C ATOM 1846 CG HIS A 121 7.831 -3.174 9.511 1.00 61.20 C ATOM 1847 ND1 HIS A 121 8.382 -4.376 9.118 1.00 42.52 N ATOM 1848 CD2 HIS A 121 7.906 -3.152 10.862 1.00 1.13 C ATOM 1849 CE1 HIS A 121 8.771 -5.049 10.185 1.00 22.45 C ATOM 1850 NE2 HIS A 121 8.494 -4.328 11.257 1.00 60.50 N ATOM 0 H HIS A 121 6.661 -0.834 6.569 1.00 75.34 H new ATOM 0 HA HIS A 121 7.322 -3.515 6.870 1.00 54.22 H new ATOM 0 HB2 HIS A 121 8.099 -1.515 8.219 1.00 11.12 H new ATOM 0 HB3 HIS A 121 6.559 -1.541 9.054 1.00 11.12 H new ATOM 0 HD2 HIS A 121 7.566 -2.357 11.509 1.00 1.13 H new ATOM 0 HE1 HIS A 121 9.237 -6.023 10.182 1.00 22.45 H new ATOM 0 HE2 HIS A 121 8.686 -4.601 12.221 1.00 60.50 H new ATOM 1858 N TYR A 122 4.224 -2.853 7.595 1.00 64.25 N ATOM 1859 CA TYR A 122 2.939 -3.442 7.953 1.00 44.25 C ATOM 1860 C TYR A 122 2.027 -3.540 6.734 1.00 15.40 C ATOM 1861 O TYR A 122 0.802 -3.521 6.860 1.00 65.13 O ATOM 1862 CB TYR A 122 2.262 -2.614 9.046 1.00 42.42 C ATOM 1863 CG TYR A 122 3.193 -2.219 10.171 1.00 74.35 C ATOM 1864 CD1 TYR A 122 3.993 -1.088 10.072 1.00 0.03 C ATOM 1865 CD2 TYR A 122 3.270 -2.978 11.332 1.00 3.11 C ATOM 1866 CE1 TYR A 122 4.845 -0.725 11.097 1.00 10.42 C ATOM 1867 CE2 TYR A 122 4.118 -2.621 12.363 1.00 63.22 C ATOM 1868 CZ TYR A 122 4.904 -1.494 12.240 1.00 31.13 C ATOM 1869 OH TYR A 122 5.750 -1.135 13.264 1.00 3.31 O ATOM 0 H TYR A 122 4.167 -1.895 7.249 1.00 64.25 H new ATOM 0 HA TYR A 122 3.121 -4.449 8.330 1.00 44.25 H new ATOM 0 HB2 TYR A 122 1.842 -1.713 8.600 1.00 42.42 H new ATOM 0 HB3 TYR A 122 1.429 -3.183 9.458 1.00 42.42 H new ATOM 0 HD1 TYR A 122 3.948 -0.482 9.179 1.00 0.03 H new ATOM 0 HD2 TYR A 122 2.657 -3.862 11.430 1.00 3.11 H new ATOM 0 HE1 TYR A 122 5.462 0.157 11.004 1.00 10.42 H new ATOM 0 HE2 TYR A 122 4.165 -3.221 13.260 1.00 63.22 H new ATOM 0 HH TYR A 122 5.237 -1.035 14.093 1.00 3.31 H new ATOM 1879 N GLN A 123 2.633 -3.644 5.556 1.00 74.32 N ATOM 1880 CA GLN A 123 1.875 -3.745 4.314 1.00 60.10 C ATOM 1881 C GLN A 123 1.600 -5.203 3.961 1.00 62.12 C ATOM 1882 O GLN A 123 2.523 -5.967 3.679 1.00 34.23 O ATOM 1883 CB GLN A 123 2.634 -3.066 3.173 1.00 53.25 C ATOM 1884 CG GLN A 123 1.872 -3.056 1.857 1.00 63.32 C ATOM 1885 CD GLN A 123 2.232 -1.871 0.983 1.00 40.01 C ATOM 1886 OE1 GLN A 123 3.378 -1.724 0.557 1.00 71.33 O ATOM 1887 NE2 GLN A 123 1.252 -1.017 0.711 1.00 44.13 N ATOM 0 H GLN A 123 3.646 -3.661 5.435 1.00 74.32 H new ATOM 0 HA GLN A 123 0.920 -3.239 4.458 1.00 60.10 H new ATOM 0 HB2 GLN A 123 2.862 -2.039 3.459 1.00 53.25 H new ATOM 0 HB3 GLN A 123 3.587 -3.575 3.028 1.00 53.25 H new ATOM 0 HG2 GLN A 123 2.079 -3.979 1.315 1.00 63.32 H new ATOM 0 HG3 GLN A 123 0.801 -3.040 2.062 1.00 63.32 H new ATOM 0 HE21 GLN A 123 0.317 -1.178 1.085 1.00 44.13 H new ATOM 0 HE22 GLN A 123 1.434 -0.200 0.128 1.00 44.13 H new ATOM 1896 N GLU A 124 0.326 -5.581 3.978 1.00 32.13 N ATOM 1897 CA GLU A 124 -0.069 -6.948 3.661 1.00 71.41 C ATOM 1898 C GLU A 124 0.670 -7.948 4.546 1.00 11.32 C ATOM 1899 O GLU A 124 0.256 -9.099 4.679 1.00 13.32 O ATOM 1900 CB GLU A 124 0.208 -7.254 2.187 1.00 12.33 C ATOM 1901 CG GLU A 124 -1.023 -7.701 1.417 1.00 70.23 C ATOM 1902 CD GLU A 124 -1.246 -9.199 1.492 1.00 64.22 C ATOM 1903 OE1 GLU A 124 -1.888 -9.656 2.460 1.00 23.42 O ATOM 1904 OE2 GLU A 124 -0.778 -9.914 0.581 1.00 25.30 O ATOM 0 H GLU A 124 -0.450 -4.960 4.208 1.00 32.13 H new ATOM 0 HA GLU A 124 -1.138 -7.042 3.850 1.00 71.41 H new ATOM 0 HB2 GLU A 124 0.621 -6.364 1.711 1.00 12.33 H new ATOM 0 HB3 GLU A 124 0.969 -8.032 2.123 1.00 12.33 H new ATOM 0 HG2 GLU A 124 -1.900 -7.187 1.811 1.00 70.23 H new ATOM 0 HG3 GLU A 124 -0.922 -7.404 0.373 1.00 70.23 H new TER 1911 GLU A 124