USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 847 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 23 TYR OH : rot 96:sc= 0.97 USER MOD Set 1.2: A 65 SER OG : rot -169:sc= 1.11 USER MOD Set 1.3: A 74 GLN : amide:sc= -2.96! X(o=-0.88!,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0364 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.17) USER MOD Single : A 7 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.14) USER MOD Single : A 13 HIS : no HD1:sc= -0.374 K(o=-0.37,f=-1.2) USER MOD Single : A 14 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.52) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00488) USER MOD Single : A 21 SER OG : rot 180:sc= -0.257 USER MOD Single : A 22 THR OG1 : rot -80:sc= 0.00571 USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0278 (180deg=-0.239) USER MOD Single : A 29 MET CE :methyl 154:sc= 0 (180deg=-0.815) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-0.057) USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.038) USER MOD Single : A 45 ASN : amide:sc= -3.1! K(o=-3.1!,f=-0.26) USER MOD Single : A 50 SER OG : rot -108:sc= 0.612 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.854 K(o=-0.85,f=-12!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0385) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0.412! (180deg=0.382!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 77 LYS NZ :NH3+ -152:sc= 0.098 (180deg=0.00467) USER MOD Single : A 86 SER OG : rot 180:sc= -0.007 USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 0.517 (180deg=0.24) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 166:sc= 0.381 USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= -0.248 (180deg=-0.681) USER MOD Single : A 99 GLN : amide:sc= 0.318 K(o=0.32,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.149 -5.094 14.523 1.00 63.24 N ATOM 2 CA MET A 1 -15.383 -4.529 13.376 1.00 0.44 C ATOM 3 C MET A 1 -15.842 -5.152 12.044 1.00 31.24 C ATOM 4 O MET A 1 -16.287 -6.298 12.004 1.00 22.22 O ATOM 5 CB MET A 1 -13.878 -4.770 13.586 1.00 51.43 C ATOM 6 CG MET A 1 -12.985 -4.114 12.539 1.00 44.13 C ATOM 7 SD MET A 1 -11.230 -4.332 12.898 1.00 50.44 S ATOM 8 CE MET A 1 -10.488 -3.525 11.481 1.00 51.12 C ATOM 0 H1 MET A 1 -15.502 -5.277 15.316 1.00 63.24 H new ATOM 0 H2 MET A 1 -16.879 -4.415 14.821 1.00 63.24 H new ATOM 0 H3 MET A 1 -16.602 -5.984 14.233 1.00 63.24 H new ATOM 0 HA MET A 1 -15.573 -3.457 13.329 1.00 0.44 H new ATOM 0 HB2 MET A 1 -13.596 -4.398 14.571 1.00 51.43 H new ATOM 0 HB3 MET A 1 -13.690 -5.844 13.585 1.00 51.43 H new ATOM 0 HG2 MET A 1 -13.208 -4.536 11.559 1.00 44.13 H new ATOM 0 HG3 MET A 1 -13.213 -3.049 12.487 1.00 44.13 H new ATOM 0 HE1 MET A 1 -9.402 -3.578 11.560 1.00 51.12 H new ATOM 0 HE2 MET A 1 -10.810 -4.025 10.568 1.00 51.12 H new ATOM 0 HE3 MET A 1 -10.799 -2.481 11.453 1.00 51.12 H new ATOM 20 N ASP A 2 -15.748 -4.390 10.957 1.00 63.42 N ATOM 21 CA ASP A 2 -16.124 -4.889 9.629 1.00 53.31 C ATOM 22 C ASP A 2 -15.132 -5.956 9.132 1.00 70.12 C ATOM 23 O ASP A 2 -13.941 -5.678 8.958 1.00 42.15 O ATOM 24 CB ASP A 2 -16.199 -3.723 8.639 1.00 55.40 C ATOM 25 CG ASP A 2 -17.231 -2.692 9.054 1.00 13.21 C ATOM 26 OD1 ASP A 2 -16.960 -1.922 9.999 1.00 43.10 O ATOM 27 OD2 ASP A 2 -18.327 -2.658 8.455 1.00 34.11 O ATOM 0 H ASP A 2 -15.416 -3.426 10.965 1.00 63.42 H new ATOM 0 HA ASP A 2 -17.105 -5.359 9.703 1.00 53.31 H new ATOM 0 HB2 ASP A 2 -15.221 -3.247 8.564 1.00 55.40 H new ATOM 0 HB3 ASP A 2 -16.445 -4.104 7.648 1.00 55.40 H new ATOM 32 N GLN A 3 -15.632 -7.174 8.908 1.00 65.54 N ATOM 33 CA GLN A 3 -14.792 -8.301 8.477 1.00 34.21 C ATOM 34 C GLN A 3 -13.953 -7.962 7.234 1.00 42.22 C ATOM 35 O GLN A 3 -12.811 -8.408 7.113 1.00 15.04 O ATOM 36 CB GLN A 3 -15.655 -9.542 8.211 1.00 32.43 C ATOM 37 CG GLN A 3 -16.400 -10.050 9.443 1.00 54.00 C ATOM 38 CD GLN A 3 -15.475 -10.367 10.611 1.00 61.32 C ATOM 39 OE1 GLN A 3 -15.208 -9.521 11.462 1.00 13.13 O ATOM 40 NE2 GLN A 3 -14.963 -11.579 10.653 1.00 44.30 N ATOM 0 H GLN A 3 -16.619 -7.408 9.018 1.00 65.54 H new ATOM 0 HA GLN A 3 -14.098 -8.512 9.290 1.00 34.21 H new ATOM 0 HB2 GLN A 3 -16.379 -9.309 7.430 1.00 32.43 H new ATOM 0 HB3 GLN A 3 -15.019 -10.340 7.828 1.00 32.43 H new ATOM 0 HG2 GLN A 3 -17.127 -9.300 9.756 1.00 54.00 H new ATOM 0 HG3 GLN A 3 -16.961 -10.946 9.177 1.00 54.00 H new ATOM 0 HE21 GLN A 3 -15.204 -12.259 9.932 1.00 44.30 H new ATOM 0 HE22 GLN A 3 -14.326 -11.838 11.406 1.00 44.30 H new ATOM 49 N PHE A 4 -14.516 -7.157 6.327 1.00 3.23 N ATOM 50 CA PHE A 4 -13.787 -6.698 5.137 1.00 71.44 C ATOM 51 C PHE A 4 -12.462 -6.027 5.535 1.00 24.33 C ATOM 52 O PHE A 4 -11.395 -6.356 5.010 1.00 63.41 O ATOM 53 CB PHE A 4 -14.656 -5.719 4.328 1.00 53.33 C ATOM 54 CG PHE A 4 -13.940 -5.078 3.160 1.00 11.54 C ATOM 55 CD1 PHE A 4 -13.687 -5.797 2.002 1.00 32.25 C ATOM 56 CD2 PHE A 4 -13.521 -3.754 3.224 1.00 54.23 C ATOM 57 CE1 PHE A 4 -13.032 -5.212 0.934 1.00 14.24 C ATOM 58 CE2 PHE A 4 -12.866 -3.166 2.158 1.00 52.02 C ATOM 59 CZ PHE A 4 -12.621 -3.896 1.013 1.00 61.22 C ATOM 0 H PHE A 4 -15.473 -6.809 6.393 1.00 3.23 H new ATOM 0 HA PHE A 4 -13.560 -7.565 4.517 1.00 71.44 H new ATOM 0 HB2 PHE A 4 -15.532 -6.250 3.956 1.00 53.33 H new ATOM 0 HB3 PHE A 4 -15.017 -4.935 4.994 1.00 53.33 H new ATOM 0 HD1 PHE A 4 -14.005 -6.827 1.933 1.00 32.25 H new ATOM 0 HD2 PHE A 4 -13.710 -3.178 4.118 1.00 54.23 H new ATOM 0 HE1 PHE A 4 -12.842 -5.784 0.038 1.00 14.24 H new ATOM 0 HE2 PHE A 4 -12.546 -2.136 2.221 1.00 52.02 H new ATOM 0 HZ PHE A 4 -12.108 -3.439 0.180 1.00 61.22 H new ATOM 69 N LEU A 5 -12.546 -5.099 6.485 1.00 73.00 N ATOM 70 CA LEU A 5 -11.368 -4.392 6.991 1.00 43.14 C ATOM 71 C LEU A 5 -10.424 -5.355 7.725 1.00 60.53 C ATOM 72 O LEU A 5 -9.210 -5.303 7.549 1.00 52.24 O ATOM 73 CB LEU A 5 -11.800 -3.259 7.930 1.00 0.04 C ATOM 74 CG LEU A 5 -12.733 -2.209 7.298 1.00 65.32 C ATOM 75 CD1 LEU A 5 -13.227 -1.221 8.352 1.00 45.41 C ATOM 76 CD2 LEU A 5 -12.029 -1.478 6.156 1.00 55.35 C ATOM 0 H LEU A 5 -13.423 -4.816 6.923 1.00 73.00 H new ATOM 0 HA LEU A 5 -10.831 -3.969 6.142 1.00 43.14 H new ATOM 0 HB2 LEU A 5 -12.301 -3.695 8.794 1.00 0.04 H new ATOM 0 HB3 LEU A 5 -10.908 -2.754 8.300 1.00 0.04 H new ATOM 0 HG LEU A 5 -13.599 -2.727 6.886 1.00 65.32 H new ATOM 0 HD11 LEU A 5 -13.884 -0.488 7.884 1.00 45.41 H new ATOM 0 HD12 LEU A 5 -13.775 -1.758 9.126 1.00 45.41 H new ATOM 0 HD13 LEU A 5 -12.375 -0.710 8.800 1.00 45.41 H new ATOM 0 HD21 LEU A 5 -12.706 -0.741 5.724 1.00 55.35 H new ATOM 0 HD22 LEU A 5 -11.141 -0.975 6.539 1.00 55.35 H new ATOM 0 HD23 LEU A 5 -11.737 -2.196 5.390 1.00 55.35 H new ATOM 88 N VAL A 6 -10.999 -6.244 8.538 1.00 33.33 N ATOM 89 CA VAL A 6 -10.217 -7.231 9.293 1.00 23.51 C ATOM 90 C VAL A 6 -9.321 -8.073 8.365 1.00 25.33 C ATOM 91 O VAL A 6 -8.134 -8.262 8.635 1.00 2.14 O ATOM 92 CB VAL A 6 -11.140 -8.178 10.107 1.00 2.14 C ATOM 93 CG1 VAL A 6 -10.329 -9.238 10.856 1.00 54.32 C ATOM 94 CG2 VAL A 6 -12.011 -7.379 11.076 1.00 62.23 C ATOM 0 H VAL A 6 -12.006 -6.302 8.692 1.00 33.33 H new ATOM 0 HA VAL A 6 -9.584 -6.669 9.980 1.00 23.51 H new ATOM 0 HB VAL A 6 -11.792 -8.695 9.403 1.00 2.14 H new ATOM 0 HG11 VAL A 6 -11.005 -9.885 11.416 1.00 54.32 H new ATOM 0 HG12 VAL A 6 -9.764 -9.836 10.141 1.00 54.32 H new ATOM 0 HG13 VAL A 6 -9.640 -8.749 11.545 1.00 54.32 H new ATOM 0 HG21 VAL A 6 -12.651 -8.060 11.637 1.00 62.23 H new ATOM 0 HG22 VAL A 6 -11.374 -6.827 11.767 1.00 62.23 H new ATOM 0 HG23 VAL A 6 -12.630 -6.679 10.516 1.00 62.23 H new ATOM 104 N GLN A 7 -9.894 -8.560 7.265 1.00 10.45 N ATOM 105 CA GLN A 7 -9.164 -9.419 6.326 1.00 34.24 C ATOM 106 C GLN A 7 -8.034 -8.664 5.603 1.00 44.34 C ATOM 107 O GLN A 7 -6.872 -9.071 5.665 1.00 44.11 O ATOM 108 CB GLN A 7 -10.131 -10.036 5.307 1.00 43.24 C ATOM 109 CG GLN A 7 -11.193 -10.935 5.936 1.00 22.43 C ATOM 110 CD GLN A 7 -10.593 -12.046 6.782 1.00 61.10 C ATOM 111 OE1 GLN A 7 -10.304 -13.135 6.296 1.00 74.21 O ATOM 112 NE2 GLN A 7 -10.400 -11.779 8.057 1.00 30.24 N ATOM 0 H GLN A 7 -10.862 -8.376 7.000 1.00 10.45 H new ATOM 0 HA GLN A 7 -8.699 -10.214 6.909 1.00 34.24 H new ATOM 0 HB2 GLN A 7 -10.625 -9.235 4.757 1.00 43.24 H new ATOM 0 HB3 GLN A 7 -9.560 -10.616 4.582 1.00 43.24 H new ATOM 0 HG2 GLN A 7 -11.856 -10.330 6.555 1.00 22.43 H new ATOM 0 HG3 GLN A 7 -11.805 -11.374 5.148 1.00 22.43 H new ATOM 0 HE21 GLN A 7 -10.651 -10.863 8.430 1.00 30.24 H new ATOM 0 HE22 GLN A 7 -9.999 -12.488 8.672 1.00 30.24 H new ATOM 121 N ILE A 8 -8.367 -7.565 4.924 1.00 13.12 N ATOM 122 CA ILE A 8 -7.360 -6.793 4.184 1.00 31.12 C ATOM 123 C ILE A 8 -6.232 -6.295 5.107 1.00 4.14 C ATOM 124 O ILE A 8 -5.056 -6.372 4.749 1.00 71.30 O ATOM 125 CB ILE A 8 -7.987 -5.600 3.414 1.00 50.13 C ATOM 126 CG1 ILE A 8 -8.727 -4.648 4.368 1.00 23.12 C ATOM 127 CG2 ILE A 8 -8.929 -6.109 2.320 1.00 11.40 C ATOM 128 CD1 ILE A 8 -9.346 -3.447 3.681 1.00 52.40 C ATOM 0 H ILE A 8 -9.314 -7.190 4.869 1.00 13.12 H new ATOM 0 HA ILE A 8 -6.929 -7.476 3.452 1.00 31.12 H new ATOM 0 HB ILE A 8 -7.179 -5.038 2.945 1.00 50.13 H new ATOM 0 HG12 ILE A 8 -9.511 -5.203 4.883 1.00 23.12 H new ATOM 0 HG13 ILE A 8 -8.030 -4.299 5.130 1.00 23.12 H new ATOM 0 HG21 ILE A 8 -9.361 -5.261 1.789 1.00 11.40 H new ATOM 0 HG22 ILE A 8 -8.371 -6.730 1.619 1.00 11.40 H new ATOM 0 HG23 ILE A 8 -9.727 -6.699 2.772 1.00 11.40 H new ATOM 0 HD11 ILE A 8 -9.849 -2.824 4.421 1.00 52.40 H new ATOM 0 HD12 ILE A 8 -8.565 -2.867 3.189 1.00 52.40 H new ATOM 0 HD13 ILE A 8 -10.069 -3.785 2.939 1.00 52.40 H new ATOM 140 N PHE A 9 -6.586 -5.818 6.305 1.00 3.23 N ATOM 141 CA PHE A 9 -5.585 -5.375 7.288 1.00 11.21 C ATOM 142 C PHE A 9 -4.677 -6.541 7.710 1.00 40.32 C ATOM 143 O PHE A 9 -3.454 -6.392 7.794 1.00 42.43 O ATOM 144 CB PHE A 9 -6.264 -4.764 8.528 1.00 25.55 C ATOM 145 CG PHE A 9 -6.981 -3.451 8.282 1.00 2.34 C ATOM 146 CD1 PHE A 9 -7.101 -2.920 7.003 1.00 1.13 C ATOM 147 CD2 PHE A 9 -7.537 -2.748 9.343 1.00 45.04 C ATOM 148 CE1 PHE A 9 -7.759 -1.721 6.791 1.00 15.22 C ATOM 149 CE2 PHE A 9 -8.193 -1.550 9.135 1.00 63.32 C ATOM 150 CZ PHE A 9 -8.305 -1.036 7.859 1.00 4.34 C ATOM 0 H PHE A 9 -7.552 -5.728 6.619 1.00 3.23 H new ATOM 0 HA PHE A 9 -4.972 -4.609 6.813 1.00 11.21 H new ATOM 0 HB2 PHE A 9 -6.981 -5.484 8.923 1.00 25.55 H new ATOM 0 HB3 PHE A 9 -5.509 -4.610 9.299 1.00 25.55 H new ATOM 0 HD1 PHE A 9 -6.675 -3.450 6.164 1.00 1.13 H new ATOM 0 HD2 PHE A 9 -7.455 -3.143 10.345 1.00 45.04 H new ATOM 0 HE1 PHE A 9 -7.845 -1.321 5.791 1.00 15.22 H new ATOM 0 HE2 PHE A 9 -8.618 -1.015 9.971 1.00 63.32 H new ATOM 0 HZ PHE A 9 -8.819 -0.100 7.696 1.00 4.34 H new ATOM 160 N ALA A 10 -5.283 -7.704 7.959 1.00 73.40 N ATOM 161 CA ALA A 10 -4.536 -8.914 8.318 1.00 33.23 C ATOM 162 C ALA A 10 -3.518 -9.296 7.231 1.00 32.53 C ATOM 163 O ALA A 10 -2.493 -9.916 7.512 1.00 53.50 O ATOM 164 CB ALA A 10 -5.497 -10.071 8.570 1.00 13.23 C ATOM 0 H ALA A 10 -6.294 -7.835 7.919 1.00 73.40 H new ATOM 0 HA ALA A 10 -3.981 -8.702 9.232 1.00 33.23 H new ATOM 0 HB1 ALA A 10 -4.930 -10.963 8.836 1.00 13.23 H new ATOM 0 HB2 ALA A 10 -6.171 -9.813 9.387 1.00 13.23 H new ATOM 0 HB3 ALA A 10 -6.077 -10.265 7.668 1.00 13.23 H new ATOM 170 N VAL A 11 -3.812 -8.936 5.985 1.00 62.12 N ATOM 171 CA VAL A 11 -2.883 -9.176 4.879 1.00 44.44 C ATOM 172 C VAL A 11 -1.785 -8.096 4.836 1.00 72.43 C ATOM 173 O VAL A 11 -0.609 -8.400 4.635 1.00 34.31 O ATOM 174 CB VAL A 11 -3.627 -9.223 3.518 1.00 42.11 C ATOM 175 CG1 VAL A 11 -2.658 -9.519 2.374 1.00 34.14 C ATOM 176 CG2 VAL A 11 -4.756 -10.254 3.552 1.00 34.30 C ATOM 0 H VAL A 11 -4.682 -8.478 5.714 1.00 62.12 H new ATOM 0 HA VAL A 11 -2.417 -10.146 5.053 1.00 44.44 H new ATOM 0 HB VAL A 11 -4.067 -8.241 3.341 1.00 42.11 H new ATOM 0 HG11 VAL A 11 -3.205 -9.546 1.432 1.00 34.14 H new ATOM 0 HG12 VAL A 11 -1.898 -8.739 2.330 1.00 34.14 H new ATOM 0 HG13 VAL A 11 -2.179 -10.483 2.543 1.00 34.14 H new ATOM 0 HG21 VAL A 11 -5.264 -10.270 2.588 1.00 34.30 H new ATOM 0 HG22 VAL A 11 -4.342 -11.240 3.760 1.00 34.30 H new ATOM 0 HG23 VAL A 11 -5.469 -9.988 4.333 1.00 34.30 H new ATOM 186 N ILE A 12 -2.175 -6.839 5.058 1.00 20.24 N ATOM 187 CA ILE A 12 -1.235 -5.707 5.029 1.00 75.44 C ATOM 188 C ILE A 12 -0.130 -5.839 6.098 1.00 22.22 C ATOM 189 O ILE A 12 1.042 -5.574 5.826 1.00 43.22 O ATOM 190 CB ILE A 12 -1.981 -4.363 5.220 1.00 62.52 C ATOM 191 CG1 ILE A 12 -3.015 -4.158 4.099 1.00 61.42 C ATOM 192 CG2 ILE A 12 -0.993 -3.197 5.265 1.00 13.21 C ATOM 193 CD1 ILE A 12 -3.888 -2.933 4.285 1.00 21.12 C ATOM 0 H ILE A 12 -3.139 -6.575 5.261 1.00 20.24 H new ATOM 0 HA ILE A 12 -0.760 -5.722 4.048 1.00 75.44 H new ATOM 0 HB ILE A 12 -2.509 -4.396 6.173 1.00 62.52 H new ATOM 0 HG12 ILE A 12 -2.492 -4.078 3.146 1.00 61.42 H new ATOM 0 HG13 ILE A 12 -3.652 -5.040 4.040 1.00 61.42 H new ATOM 0 HG21 ILE A 12 -1.538 -2.263 5.400 1.00 13.21 H new ATOM 0 HG22 ILE A 12 -0.302 -3.337 6.097 1.00 13.21 H new ATOM 0 HG23 ILE A 12 -0.433 -3.159 4.331 1.00 13.21 H new ATOM 0 HD11 ILE A 12 -4.590 -2.857 3.455 1.00 21.12 H new ATOM 0 HD12 ILE A 12 -4.440 -3.018 5.221 1.00 21.12 H new ATOM 0 HD13 ILE A 12 -3.262 -2.041 4.313 1.00 21.12 H new ATOM 205 N HIS A 13 -0.501 -6.256 7.311 1.00 11.42 N ATOM 206 CA HIS A 13 0.482 -6.456 8.392 1.00 70.52 C ATOM 207 C HIS A 13 1.547 -7.505 8.020 1.00 12.34 C ATOM 208 O HIS A 13 2.638 -7.526 8.592 1.00 3.04 O ATOM 209 CB HIS A 13 -0.216 -6.870 9.698 1.00 52.45 C ATOM 210 CG HIS A 13 -0.911 -5.745 10.407 1.00 42.30 C ATOM 211 ND1 HIS A 13 -0.198 -4.772 11.070 1.00 44.55 N ATOM 212 CD2 HIS A 13 -2.234 -5.495 10.553 1.00 41.12 C ATOM 213 CE1 HIS A 13 -1.094 -3.962 11.603 1.00 74.31 C ATOM 214 NE2 HIS A 13 -2.340 -4.361 11.317 1.00 43.12 N ATOM 0 H HIS A 13 -1.465 -6.462 7.573 1.00 11.42 H new ATOM 0 HA HIS A 13 0.985 -5.500 8.539 1.00 70.52 H new ATOM 0 HB2 HIS A 13 -0.944 -7.650 9.476 1.00 52.45 H new ATOM 0 HB3 HIS A 13 0.523 -7.306 10.370 1.00 52.45 H new ATOM 0 HD2 HIS A 13 -3.048 -6.076 10.146 1.00 41.12 H new ATOM 0 HE1 HIS A 13 -0.853 -3.090 12.193 1.00 74.31 H new ATOM 0 HE2 HIS A 13 -3.205 -3.907 11.612 1.00 43.12 H new ATOM 222 N GLN A 14 1.232 -8.362 7.048 1.00 71.14 N ATOM 223 CA GLN A 14 2.153 -9.426 6.619 1.00 11.45 C ATOM 224 C GLN A 14 3.192 -8.915 5.601 1.00 13.21 C ATOM 225 O GLN A 14 4.068 -9.664 5.166 1.00 45.14 O ATOM 226 CB GLN A 14 1.356 -10.615 6.039 1.00 33.52 C ATOM 227 CG GLN A 14 1.318 -11.847 6.947 1.00 1.03 C ATOM 228 CD GLN A 14 0.742 -11.574 8.331 1.00 61.43 C ATOM 229 OE1 GLN A 14 1.128 -12.202 9.311 1.00 50.34 O ATOM 230 NE2 GLN A 14 -0.201 -10.657 8.428 1.00 54.32 N ATOM 0 H GLN A 14 0.347 -8.344 6.540 1.00 71.14 H new ATOM 0 HA GLN A 14 2.705 -9.762 7.497 1.00 11.45 H new ATOM 0 HB2 GLN A 14 0.334 -10.291 5.842 1.00 33.52 H new ATOM 0 HB3 GLN A 14 1.792 -10.897 5.081 1.00 33.52 H new ATOM 0 HG2 GLN A 14 0.726 -12.624 6.464 1.00 1.03 H new ATOM 0 HG3 GLN A 14 2.330 -12.238 7.055 1.00 1.03 H new ATOM 0 HE21 GLN A 14 -0.505 -10.148 7.598 1.00 54.32 H new ATOM 0 HE22 GLN A 14 -0.626 -10.457 9.333 1.00 54.32 H new ATOM 239 N ILE A 15 3.090 -7.641 5.223 1.00 71.23 N ATOM 240 CA ILE A 15 4.073 -7.018 4.331 1.00 14.34 C ATOM 241 C ILE A 15 5.284 -6.505 5.137 1.00 64.35 C ATOM 242 O ILE A 15 5.145 -5.587 5.951 1.00 45.33 O ATOM 243 CB ILE A 15 3.453 -5.833 3.547 1.00 33.41 C ATOM 244 CG1 ILE A 15 2.200 -6.285 2.782 1.00 71.12 C ATOM 245 CG2 ILE A 15 4.479 -5.229 2.587 1.00 62.34 C ATOM 246 CD1 ILE A 15 1.489 -5.157 2.061 1.00 32.35 C ATOM 0 H ILE A 15 2.338 -7.019 5.519 1.00 71.23 H new ATOM 0 HA ILE A 15 4.396 -7.780 3.622 1.00 14.34 H new ATOM 0 HB ILE A 15 3.158 -5.066 4.263 1.00 33.41 H new ATOM 0 HG12 ILE A 15 2.483 -7.047 2.056 1.00 71.12 H new ATOM 0 HG13 ILE A 15 1.507 -6.752 3.481 1.00 71.12 H new ATOM 0 HG21 ILE A 15 4.026 -4.399 2.045 1.00 62.34 H new ATOM 0 HG22 ILE A 15 5.338 -4.868 3.153 1.00 62.34 H new ATOM 0 HG23 ILE A 15 4.806 -5.990 1.878 1.00 62.34 H new ATOM 0 HD11 ILE A 15 0.614 -5.550 1.543 1.00 32.35 H new ATOM 0 HD12 ILE A 15 1.175 -4.404 2.784 1.00 32.35 H new ATOM 0 HD13 ILE A 15 2.166 -4.704 1.337 1.00 32.35 H new ATOM 258 N PRO A 16 6.484 -7.093 4.940 1.00 64.02 N ATOM 259 CA PRO A 16 7.700 -6.706 5.681 1.00 23.43 C ATOM 260 C PRO A 16 8.233 -5.310 5.303 1.00 62.40 C ATOM 261 O PRO A 16 8.111 -4.871 4.156 1.00 35.32 O ATOM 262 CB PRO A 16 8.728 -7.792 5.293 1.00 41.33 C ATOM 263 CG PRO A 16 7.936 -8.872 4.628 1.00 53.42 C ATOM 264 CD PRO A 16 6.760 -8.185 3.996 1.00 30.12 C ATOM 0 HA PRO A 16 7.500 -6.642 6.751 1.00 23.43 H new ATOM 0 HB2 PRO A 16 9.487 -7.392 4.621 1.00 41.33 H new ATOM 0 HB3 PRO A 16 9.249 -8.172 6.172 1.00 41.33 H new ATOM 0 HG2 PRO A 16 8.534 -9.392 3.880 1.00 53.42 H new ATOM 0 HG3 PRO A 16 7.610 -9.620 5.351 1.00 53.42 H new ATOM 0 HD2 PRO A 16 6.996 -7.810 3.000 1.00 30.12 H new ATOM 0 HD3 PRO A 16 5.907 -8.855 3.890 1.00 30.12 H new ATOM 272 N LYS A 17 8.830 -4.627 6.281 1.00 72.12 N ATOM 273 CA LYS A 17 9.463 -3.320 6.065 1.00 24.14 C ATOM 274 C LYS A 17 10.466 -3.356 4.893 1.00 3.53 C ATOM 275 O LYS A 17 11.446 -4.106 4.920 1.00 10.34 O ATOM 276 CB LYS A 17 10.181 -2.885 7.350 1.00 54.41 C ATOM 277 CG LYS A 17 10.916 -1.553 7.233 1.00 52.04 C ATOM 278 CD LYS A 17 11.694 -1.225 8.503 1.00 34.14 C ATOM 279 CE LYS A 17 12.415 0.113 8.403 1.00 21.21 C ATOM 280 NZ LYS A 17 13.256 0.372 9.600 1.00 3.23 N ATOM 0 H LYS A 17 8.890 -4.961 7.243 1.00 72.12 H new ATOM 0 HA LYS A 17 8.682 -2.604 5.809 1.00 24.14 H new ATOM 0 HB2 LYS A 17 9.450 -2.815 8.156 1.00 54.41 H new ATOM 0 HB3 LYS A 17 10.895 -3.658 7.634 1.00 54.41 H new ATOM 0 HG2 LYS A 17 11.601 -1.588 6.386 1.00 52.04 H new ATOM 0 HG3 LYS A 17 10.198 -0.758 7.030 1.00 52.04 H new ATOM 0 HD2 LYS A 17 11.010 -1.205 9.352 1.00 34.14 H new ATOM 0 HD3 LYS A 17 12.420 -2.014 8.697 1.00 34.14 H new ATOM 0 HE2 LYS A 17 13.039 0.125 7.510 1.00 21.21 H new ATOM 0 HE3 LYS A 17 11.684 0.914 8.291 1.00 21.21 H new ATOM 0 HZ1 LYS A 17 13.732 1.291 9.498 1.00 3.23 H new ATOM 0 HZ2 LYS A 17 12.656 0.385 10.449 1.00 3.23 H new ATOM 0 HZ3 LYS A 17 13.970 -0.379 9.692 1.00 3.23 H new ATOM 294 N GLY A 18 10.221 -2.536 3.873 1.00 65.04 N ATOM 295 CA GLY A 18 11.080 -2.524 2.690 1.00 33.31 C ATOM 296 C GLY A 18 10.428 -3.172 1.472 1.00 52.31 C ATOM 297 O GLY A 18 10.963 -3.111 0.363 1.00 34.12 O ATOM 0 H GLY A 18 9.443 -1.877 3.841 1.00 65.04 H new ATOM 0 HA2 GLY A 18 11.343 -1.494 2.449 1.00 33.31 H new ATOM 0 HA3 GLY A 18 12.010 -3.045 2.918 1.00 33.31 H new ATOM 301 N LYS A 19 9.279 -3.809 1.683 1.00 14.34 N ATOM 302 CA LYS A 19 8.503 -4.412 0.594 1.00 63.41 C ATOM 303 C LYS A 19 7.142 -3.713 0.426 1.00 42.44 C ATOM 304 O LYS A 19 6.588 -3.167 1.380 1.00 14.23 O ATOM 305 CB LYS A 19 8.286 -5.915 0.854 1.00 20.34 C ATOM 306 CG LYS A 19 9.540 -6.781 0.704 1.00 64.14 C ATOM 307 CD LYS A 19 10.112 -6.704 -0.711 1.00 5.21 C ATOM 308 CE LYS A 19 11.066 -7.857 -1.016 1.00 63.33 C ATOM 309 NZ LYS A 19 12.246 -7.871 -0.114 1.00 21.22 N ATOM 0 H LYS A 19 8.859 -3.923 2.605 1.00 14.34 H new ATOM 0 HA LYS A 19 9.072 -4.285 -0.327 1.00 63.41 H new ATOM 0 HB2 LYS A 19 7.893 -6.042 1.863 1.00 20.34 H new ATOM 0 HB3 LYS A 19 7.524 -6.282 0.166 1.00 20.34 H new ATOM 0 HG2 LYS A 19 10.295 -6.456 1.420 1.00 64.14 H new ATOM 0 HG3 LYS A 19 9.298 -7.817 0.943 1.00 64.14 H new ATOM 0 HD2 LYS A 19 9.294 -6.712 -1.432 1.00 5.21 H new ATOM 0 HD3 LYS A 19 10.638 -5.758 -0.836 1.00 5.21 H new ATOM 0 HE2 LYS A 19 10.530 -8.802 -0.924 1.00 63.33 H new ATOM 0 HE3 LYS A 19 11.403 -7.782 -2.050 1.00 63.33 H new ATOM 0 HZ1 LYS A 19 12.879 -8.651 -0.383 1.00 21.22 H new ATOM 0 HZ2 LYS A 19 12.755 -6.968 -0.195 1.00 21.22 H new ATOM 0 HZ3 LYS A 19 11.931 -8.004 0.868 1.00 21.22 H new ATOM 323 N VAL A 20 6.614 -3.738 -0.795 1.00 30.31 N ATOM 324 CA VAL A 20 5.300 -3.161 -1.102 1.00 3.43 C ATOM 325 C VAL A 20 4.428 -4.161 -1.877 1.00 33.21 C ATOM 326 O VAL A 20 4.931 -5.102 -2.493 1.00 35.21 O ATOM 327 CB VAL A 20 5.419 -1.853 -1.932 1.00 53.35 C ATOM 328 CG1 VAL A 20 6.155 -0.767 -1.150 1.00 0.05 C ATOM 329 CG2 VAL A 20 6.104 -2.118 -3.275 1.00 20.42 C ATOM 0 H VAL A 20 7.080 -4.157 -1.600 1.00 30.31 H new ATOM 0 HA VAL A 20 4.833 -2.928 -0.145 1.00 3.43 H new ATOM 0 HB VAL A 20 4.410 -1.493 -2.132 1.00 53.35 H new ATOM 0 HG11 VAL A 20 6.222 0.136 -1.757 1.00 0.05 H new ATOM 0 HG12 VAL A 20 5.610 -0.547 -0.232 1.00 0.05 H new ATOM 0 HG13 VAL A 20 7.158 -1.114 -0.902 1.00 0.05 H new ATOM 0 HG21 VAL A 20 6.175 -1.187 -3.837 1.00 20.42 H new ATOM 0 HG22 VAL A 20 7.104 -2.514 -3.101 1.00 20.42 H new ATOM 0 HG23 VAL A 20 5.521 -2.842 -3.844 1.00 20.42 H new ATOM 339 N SER A 21 3.120 -3.952 -1.844 1.00 12.21 N ATOM 340 CA SER A 21 2.180 -4.818 -2.566 1.00 53.11 C ATOM 341 C SER A 21 1.074 -3.998 -3.230 1.00 10.23 C ATOM 342 O SER A 21 0.918 -2.805 -2.959 1.00 53.32 O ATOM 343 CB SER A 21 1.560 -5.857 -1.624 1.00 41.42 C ATOM 344 OG SER A 21 0.661 -6.708 -2.320 1.00 61.15 O ATOM 0 H SER A 21 2.679 -3.192 -1.327 1.00 12.21 H new ATOM 0 HA SER A 21 2.743 -5.336 -3.342 1.00 53.11 H new ATOM 0 HB2 SER A 21 2.349 -6.454 -1.166 1.00 41.42 H new ATOM 0 HB3 SER A 21 1.033 -5.350 -0.815 1.00 41.42 H new ATOM 0 HG SER A 21 0.281 -7.362 -1.697 1.00 61.15 H new ATOM 350 N THR A 22 0.306 -4.638 -4.101 1.00 64.00 N ATOM 351 CA THR A 22 -0.767 -3.960 -4.834 1.00 41.12 C ATOM 352 C THR A 22 -2.143 -4.306 -4.255 1.00 73.35 C ATOM 353 O THR A 22 -2.356 -5.413 -3.754 1.00 72.35 O ATOM 354 CB THR A 22 -0.757 -4.341 -6.333 1.00 43.14 C ATOM 355 OG1 THR A 22 -1.063 -5.737 -6.492 1.00 30.11 O ATOM 356 CG2 THR A 22 0.600 -4.039 -6.967 1.00 51.34 C ATOM 0 H THR A 22 0.403 -5.629 -4.321 1.00 64.00 H new ATOM 0 HA THR A 22 -0.585 -2.890 -4.730 1.00 41.12 H new ATOM 0 HB THR A 22 -1.516 -3.743 -6.837 1.00 43.14 H new ATOM 0 HG1 THR A 22 -0.260 -6.270 -6.316 1.00 30.11 H new ATOM 0 HG21 THR A 22 0.579 -4.316 -8.021 1.00 51.34 H new ATOM 0 HG22 THR A 22 0.815 -2.974 -6.876 1.00 51.34 H new ATOM 0 HG23 THR A 22 1.375 -4.611 -6.457 1.00 51.34 H new ATOM 364 N TYR A 23 -3.083 -3.360 -4.335 1.00 62.33 N ATOM 365 CA TYR A 23 -4.466 -3.604 -3.896 1.00 24.40 C ATOM 366 C TYR A 23 -5.041 -4.878 -4.536 1.00 63.40 C ATOM 367 O TYR A 23 -5.842 -5.584 -3.923 1.00 44.33 O ATOM 368 CB TYR A 23 -5.364 -2.408 -4.235 1.00 60.40 C ATOM 369 CG TYR A 23 -4.997 -1.141 -3.493 1.00 74.44 C ATOM 370 CD1 TYR A 23 -5.202 -1.037 -2.122 1.00 13.25 C ATOM 371 CD2 TYR A 23 -4.436 -0.056 -4.154 1.00 61.32 C ATOM 372 CE1 TYR A 23 -4.862 0.110 -1.436 1.00 33.13 C ATOM 373 CE2 TYR A 23 -4.093 1.094 -3.473 1.00 73.24 C ATOM 374 CZ TYR A 23 -4.305 1.173 -2.114 1.00 55.44 C ATOM 375 OH TYR A 23 -3.961 2.316 -1.432 1.00 22.44 O ATOM 0 H TYR A 23 -2.916 -2.421 -4.697 1.00 62.33 H new ATOM 0 HA TYR A 23 -4.443 -3.739 -2.815 1.00 24.40 H new ATOM 0 HB2 TYR A 23 -5.312 -2.218 -5.307 1.00 60.40 H new ATOM 0 HB3 TYR A 23 -6.398 -2.665 -4.007 1.00 60.40 H new ATOM 0 HD1 TYR A 23 -5.635 -1.868 -1.585 1.00 13.25 H new ATOM 0 HD2 TYR A 23 -4.265 -0.113 -5.219 1.00 61.32 H new ATOM 0 HE1 TYR A 23 -5.032 0.175 -0.371 1.00 33.13 H new ATOM 0 HE2 TYR A 23 -3.660 1.929 -4.003 1.00 73.24 H new ATOM 0 HH TYR A 23 -3.009 2.286 -1.203 1.00 22.44 H new ATOM 385 N GLY A 24 -4.618 -5.159 -5.770 1.00 64.12 N ATOM 386 CA GLY A 24 -5.037 -6.376 -6.452 1.00 72.12 C ATOM 387 C GLY A 24 -4.604 -7.643 -5.716 1.00 4.50 C ATOM 388 O GLY A 24 -5.390 -8.579 -5.567 1.00 15.23 O ATOM 0 H GLY A 24 -3.991 -4.563 -6.310 1.00 64.12 H new ATOM 0 HA2 GLY A 24 -6.122 -6.374 -6.556 1.00 72.12 H new ATOM 0 HA3 GLY A 24 -4.620 -6.385 -7.459 1.00 72.12 H new ATOM 392 N GLU A 25 -3.353 -7.667 -5.251 1.00 21.13 N ATOM 393 CA GLU A 25 -2.824 -8.807 -4.491 1.00 33.41 C ATOM 394 C GLU A 25 -3.453 -8.891 -3.087 1.00 35.33 C ATOM 395 O GLU A 25 -3.932 -9.948 -2.678 1.00 73.22 O ATOM 396 CB GLU A 25 -1.292 -8.708 -4.384 1.00 1.42 C ATOM 397 CG GLU A 25 -0.569 -8.854 -5.723 1.00 54.22 C ATOM 398 CD GLU A 25 0.936 -8.621 -5.624 1.00 22.14 C ATOM 399 OE1 GLU A 25 1.676 -9.572 -5.285 1.00 22.24 O ATOM 400 OE2 GLU A 25 1.388 -7.491 -5.907 1.00 63.23 O ATOM 0 H GLU A 25 -2.684 -6.909 -5.387 1.00 21.13 H new ATOM 0 HA GLU A 25 -3.087 -9.718 -5.028 1.00 33.41 H new ATOM 0 HB2 GLU A 25 -1.029 -7.746 -3.943 1.00 1.42 H new ATOM 0 HB3 GLU A 25 -0.934 -9.480 -3.702 1.00 1.42 H new ATOM 0 HG2 GLU A 25 -0.750 -9.853 -6.119 1.00 54.22 H new ATOM 0 HG3 GLU A 25 -0.993 -8.147 -6.436 1.00 54.22 H new ATOM 407 N ILE A 26 -3.460 -7.771 -2.364 1.00 34.30 N ATOM 408 CA ILE A 26 -4.023 -7.722 -1.006 1.00 14.50 C ATOM 409 C ILE A 26 -5.489 -8.193 -0.973 1.00 32.41 C ATOM 410 O ILE A 26 -5.834 -9.125 -0.244 1.00 14.20 O ATOM 411 CB ILE A 26 -3.942 -6.290 -0.412 1.00 32.34 C ATOM 412 CG1 ILE A 26 -2.484 -5.792 -0.394 1.00 70.32 C ATOM 413 CG2 ILE A 26 -4.545 -6.248 0.995 1.00 11.12 C ATOM 414 CD1 ILE A 26 -1.550 -6.656 0.426 1.00 24.33 C ATOM 0 H ILE A 26 -3.083 -6.882 -2.693 1.00 34.30 H new ATOM 0 HA ILE A 26 -3.421 -8.401 -0.402 1.00 14.50 H new ATOM 0 HB ILE A 26 -4.524 -5.625 -1.050 1.00 32.34 H new ATOM 0 HG12 ILE A 26 -2.114 -5.745 -1.418 1.00 70.32 H new ATOM 0 HG13 ILE A 26 -2.462 -4.776 -0.000 1.00 70.32 H new ATOM 0 HG21 ILE A 26 -4.477 -5.234 1.390 1.00 11.12 H new ATOM 0 HG22 ILE A 26 -5.591 -6.551 0.952 1.00 11.12 H new ATOM 0 HG23 ILE A 26 -3.997 -6.929 1.646 1.00 11.12 H new ATOM 0 HD11 ILE A 26 -0.543 -6.240 0.389 1.00 24.33 H new ATOM 0 HD12 ILE A 26 -1.894 -6.684 1.460 1.00 24.33 H new ATOM 0 HD13 ILE A 26 -1.540 -7.668 0.020 1.00 24.33 H new ATOM 426 N ALA A 27 -6.343 -7.549 -1.767 1.00 42.31 N ATOM 427 CA ALA A 27 -7.762 -7.913 -1.832 1.00 23.11 C ATOM 428 C ALA A 27 -7.944 -9.378 -2.265 1.00 41.55 C ATOM 429 O ALA A 27 -8.789 -10.101 -1.729 1.00 73.20 O ATOM 430 CB ALA A 27 -8.496 -6.972 -2.780 1.00 23.14 C ATOM 0 H ALA A 27 -6.080 -6.773 -2.375 1.00 42.31 H new ATOM 0 HA ALA A 27 -8.189 -7.812 -0.834 1.00 23.11 H new ATOM 0 HB1 ALA A 27 -9.550 -7.248 -2.823 1.00 23.14 H new ATOM 0 HB2 ALA A 27 -8.404 -5.948 -2.419 1.00 23.14 H new ATOM 0 HB3 ALA A 27 -8.060 -7.046 -3.776 1.00 23.14 H new ATOM 436 N LYS A 28 -7.126 -9.813 -3.224 1.00 40.24 N ATOM 437 CA LYS A 28 -7.158 -11.197 -3.709 1.00 54.55 C ATOM 438 C LYS A 28 -6.842 -12.190 -2.576 1.00 45.43 C ATOM 439 O LYS A 28 -7.490 -13.231 -2.445 1.00 51.01 O ATOM 440 CB LYS A 28 -6.152 -11.366 -4.856 1.00 62.33 C ATOM 441 CG LYS A 28 -6.186 -12.733 -5.533 1.00 32.20 C ATOM 442 CD LYS A 28 -5.167 -12.823 -6.667 1.00 2.21 C ATOM 443 CE LYS A 28 -5.233 -14.165 -7.386 1.00 72.30 C ATOM 444 NZ LYS A 28 -6.561 -14.401 -8.008 1.00 25.53 N ATOM 0 H LYS A 28 -6.430 -9.226 -3.683 1.00 40.24 H new ATOM 0 HA LYS A 28 -8.163 -11.411 -4.073 1.00 54.55 H new ATOM 0 HB2 LYS A 28 -6.344 -10.599 -5.606 1.00 62.33 H new ATOM 0 HB3 LYS A 28 -5.148 -11.191 -4.470 1.00 62.33 H new ATOM 0 HG2 LYS A 28 -5.981 -13.510 -4.796 1.00 32.20 H new ATOM 0 HG3 LYS A 28 -7.186 -12.921 -5.925 1.00 32.20 H new ATOM 0 HD2 LYS A 28 -5.347 -12.019 -7.381 1.00 2.21 H new ATOM 0 HD3 LYS A 28 -4.164 -12.675 -6.266 1.00 2.21 H new ATOM 0 HE2 LYS A 28 -4.461 -14.202 -8.155 1.00 72.30 H new ATOM 0 HE3 LYS A 28 -5.017 -14.966 -6.679 1.00 72.30 H new ATOM 0 HZ1 LYS A 28 -6.495 -15.196 -8.676 1.00 25.53 H new ATOM 0 HZ2 LYS A 28 -7.256 -14.627 -7.268 1.00 25.53 H new ATOM 0 HZ3 LYS A 28 -6.863 -13.546 -8.516 1.00 25.53 H new ATOM 458 N MET A 29 -5.848 -11.858 -1.756 1.00 53.24 N ATOM 459 CA MET A 29 -5.456 -12.702 -0.621 1.00 50.02 C ATOM 460 C MET A 29 -6.495 -12.639 0.513 1.00 72.22 C ATOM 461 O MET A 29 -6.756 -13.635 1.187 1.00 11.45 O ATOM 462 CB MET A 29 -4.080 -12.273 -0.100 1.00 52.54 C ATOM 463 CG MET A 29 -2.970 -12.405 -1.133 1.00 25.52 C ATOM 464 SD MET A 29 -1.365 -11.876 -0.502 1.00 12.11 S ATOM 465 CE MET A 29 -0.375 -11.931 -1.994 1.00 5.44 C ATOM 0 H MET A 29 -5.294 -11.007 -1.854 1.00 53.24 H new ATOM 0 HA MET A 29 -5.405 -13.733 -0.970 1.00 50.02 H new ATOM 0 HB2 MET A 29 -4.134 -11.237 0.233 1.00 52.54 H new ATOM 0 HB3 MET A 29 -3.827 -12.876 0.772 1.00 52.54 H new ATOM 0 HG2 MET A 29 -2.904 -13.443 -1.458 1.00 25.52 H new ATOM 0 HG3 MET A 29 -3.224 -11.811 -2.011 1.00 25.52 H new ATOM 0 HE1 MET A 29 0.457 -11.232 -1.905 1.00 5.44 H new ATOM 0 HE2 MET A 29 0.013 -12.940 -2.136 1.00 5.44 H new ATOM 0 HE3 MET A 29 -0.991 -11.655 -2.850 1.00 5.44 H new ATOM 475 N ALA A 30 -7.080 -11.461 0.714 1.00 62.14 N ATOM 476 CA ALA A 30 -8.119 -11.268 1.734 1.00 30.31 C ATOM 477 C ALA A 30 -9.410 -12.020 1.373 1.00 31.42 C ATOM 478 O ALA A 30 -10.236 -12.316 2.240 1.00 75.21 O ATOM 479 CB ALA A 30 -8.403 -9.779 1.913 1.00 72.54 C ATOM 0 H ALA A 30 -6.854 -10.619 0.184 1.00 62.14 H new ATOM 0 HA ALA A 30 -7.750 -11.679 2.674 1.00 30.31 H new ATOM 0 HB1 ALA A 30 -9.175 -9.644 2.671 1.00 72.54 H new ATOM 0 HB2 ALA A 30 -7.492 -9.270 2.228 1.00 72.54 H new ATOM 0 HB3 ALA A 30 -8.746 -9.358 0.968 1.00 72.54 H new ATOM 485 N GLY A 31 -9.573 -12.332 0.088 1.00 33.34 N ATOM 486 CA GLY A 31 -10.753 -13.058 -0.373 1.00 63.42 C ATOM 487 C GLY A 31 -11.834 -12.146 -0.949 1.00 55.34 C ATOM 488 O GLY A 31 -12.992 -12.547 -1.072 1.00 55.00 O ATOM 0 H GLY A 31 -8.907 -12.095 -0.647 1.00 33.34 H new ATOM 0 HA2 GLY A 31 -10.453 -13.780 -1.133 1.00 63.42 H new ATOM 0 HA3 GLY A 31 -11.171 -13.625 0.459 1.00 63.42 H new ATOM 492 N TYR A 32 -11.456 -10.920 -1.304 1.00 3.42 N ATOM 493 CA TYR A 32 -12.399 -9.944 -1.868 1.00 42.01 C ATOM 494 C TYR A 32 -11.924 -9.438 -3.245 1.00 0.52 C ATOM 495 O TYR A 32 -11.257 -8.407 -3.342 1.00 50.25 O ATOM 496 CB TYR A 32 -12.575 -8.757 -0.909 1.00 60.24 C ATOM 497 CG TYR A 32 -13.139 -9.132 0.450 1.00 53.25 C ATOM 498 CD1 TYR A 32 -12.306 -9.573 1.472 1.00 11.20 C ATOM 499 CD2 TYR A 32 -14.504 -9.034 0.714 1.00 21.50 C ATOM 500 CE1 TYR A 32 -12.812 -9.906 2.712 1.00 4.42 C ATOM 501 CE2 TYR A 32 -15.015 -9.362 1.956 1.00 11.21 C ATOM 502 CZ TYR A 32 -14.163 -9.796 2.950 1.00 1.15 C ATOM 503 OH TYR A 32 -14.664 -10.119 4.191 1.00 44.10 O ATOM 0 H TYR A 32 -10.501 -10.574 -1.212 1.00 3.42 H new ATOM 0 HA TYR A 32 -13.358 -10.445 -2.000 1.00 42.01 H new ATOM 0 HB2 TYR A 32 -11.609 -8.272 -0.768 1.00 60.24 H new ATOM 0 HB3 TYR A 32 -13.234 -8.024 -1.374 1.00 60.24 H new ATOM 0 HD1 TYR A 32 -11.244 -9.656 1.292 1.00 11.20 H new ATOM 0 HD2 TYR A 32 -15.173 -8.697 -0.064 1.00 21.50 H new ATOM 0 HE1 TYR A 32 -12.150 -10.252 3.493 1.00 4.42 H new ATOM 0 HE2 TYR A 32 -16.075 -9.279 2.147 1.00 11.21 H new ATOM 0 HH TYR A 32 -15.635 -9.986 4.196 1.00 44.10 H new ATOM 513 N PRO A 33 -12.256 -10.160 -4.332 1.00 11.00 N ATOM 514 CA PRO A 33 -11.851 -9.768 -5.696 1.00 5.43 C ATOM 515 C PRO A 33 -12.616 -8.534 -6.211 1.00 44.42 C ATOM 516 O PRO A 33 -13.834 -8.431 -6.047 1.00 21.42 O ATOM 517 CB PRO A 33 -12.193 -11.011 -6.530 1.00 24.25 C ATOM 518 CG PRO A 33 -13.311 -11.666 -5.789 1.00 64.15 C ATOM 519 CD PRO A 33 -13.046 -11.411 -4.326 1.00 73.42 C ATOM 0 HA PRO A 33 -10.801 -9.478 -5.745 1.00 5.43 H new ATOM 0 HB2 PRO A 33 -12.494 -10.739 -7.542 1.00 24.25 H new ATOM 0 HB3 PRO A 33 -11.334 -11.676 -6.621 1.00 24.25 H new ATOM 0 HG2 PRO A 33 -14.274 -11.252 -6.089 1.00 64.15 H new ATOM 0 HG3 PRO A 33 -13.345 -12.735 -5.999 1.00 64.15 H new ATOM 0 HD2 PRO A 33 -13.973 -11.298 -3.764 1.00 73.42 H new ATOM 0 HD3 PRO A 33 -12.494 -12.232 -3.869 1.00 73.42 H new ATOM 527 N GLY A 34 -11.898 -7.592 -6.826 1.00 43.35 N ATOM 528 CA GLY A 34 -12.528 -6.385 -7.361 1.00 1.14 C ATOM 529 C GLY A 34 -12.598 -5.241 -6.348 1.00 42.10 C ATOM 530 O GLY A 34 -12.603 -4.066 -6.719 1.00 32.34 O ATOM 0 H GLY A 34 -10.889 -7.641 -6.965 1.00 43.35 H new ATOM 0 HA2 GLY A 34 -11.973 -6.052 -8.238 1.00 1.14 H new ATOM 0 HA3 GLY A 34 -13.537 -6.627 -7.696 1.00 1.14 H new ATOM 534 N TYR A 35 -12.624 -5.585 -5.061 1.00 31.34 N ATOM 535 CA TYR A 35 -12.713 -4.589 -3.984 1.00 24.43 C ATOM 536 C TYR A 35 -11.394 -3.821 -3.784 1.00 33.52 C ATOM 537 O TYR A 35 -11.289 -2.987 -2.882 1.00 61.14 O ATOM 538 CB TYR A 35 -13.127 -5.270 -2.672 1.00 62.13 C ATOM 539 CG TYR A 35 -14.538 -5.833 -2.689 1.00 65.11 C ATOM 540 CD1 TYR A 35 -14.797 -7.109 -3.178 1.00 11.24 C ATOM 541 CD2 TYR A 35 -15.608 -5.086 -2.207 1.00 43.01 C ATOM 542 CE1 TYR A 35 -16.079 -7.624 -3.185 1.00 2.32 C ATOM 543 CE2 TYR A 35 -16.893 -5.593 -2.214 1.00 15.01 C ATOM 544 CZ TYR A 35 -17.124 -6.862 -2.702 1.00 40.30 C ATOM 545 OH TYR A 35 -18.403 -7.373 -2.707 1.00 13.10 O ATOM 0 H TYR A 35 -12.585 -6.550 -4.734 1.00 31.34 H new ATOM 0 HA TYR A 35 -13.470 -3.862 -4.278 1.00 24.43 H new ATOM 0 HB2 TYR A 35 -12.427 -6.077 -2.456 1.00 62.13 H new ATOM 0 HB3 TYR A 35 -13.044 -4.550 -1.858 1.00 62.13 H new ATOM 0 HD1 TYR A 35 -13.982 -7.707 -3.559 1.00 11.24 H new ATOM 0 HD2 TYR A 35 -15.431 -4.093 -1.821 1.00 43.01 H new ATOM 0 HE1 TYR A 35 -16.263 -8.618 -3.566 1.00 2.32 H new ATOM 0 HE2 TYR A 35 -17.713 -4.998 -1.839 1.00 15.01 H new ATOM 0 HH TYR A 35 -19.021 -6.711 -2.333 1.00 13.10 H new ATOM 555 N ALA A 36 -10.401 -4.094 -4.633 1.00 34.01 N ATOM 556 CA ALA A 36 -9.102 -3.409 -4.581 1.00 45.52 C ATOM 557 C ALA A 36 -9.259 -1.878 -4.482 1.00 33.43 C ATOM 558 O ALA A 36 -8.583 -1.219 -3.688 1.00 40.02 O ATOM 559 CB ALA A 36 -8.281 -3.777 -5.813 1.00 43.14 C ATOM 0 H ALA A 36 -10.471 -4.792 -5.373 1.00 34.01 H new ATOM 0 HA ALA A 36 -8.584 -3.739 -3.680 1.00 45.52 H new ATOM 0 HB1 ALA A 36 -7.318 -3.268 -5.774 1.00 43.14 H new ATOM 0 HB2 ALA A 36 -8.122 -4.855 -5.835 1.00 43.14 H new ATOM 0 HB3 ALA A 36 -8.816 -3.471 -6.712 1.00 43.14 H new ATOM 565 N ARG A 37 -10.163 -1.330 -5.290 1.00 4.24 N ATOM 566 CA ARG A 37 -10.448 0.111 -5.286 1.00 60.21 C ATOM 567 C ARG A 37 -11.027 0.577 -3.935 1.00 52.35 C ATOM 568 O ARG A 37 -10.762 1.694 -3.485 1.00 1.05 O ATOM 569 CB ARG A 37 -11.413 0.451 -6.432 1.00 41.24 C ATOM 570 CG ARG A 37 -12.717 -0.347 -6.406 1.00 61.13 C ATOM 571 CD ARG A 37 -13.510 -0.185 -7.699 1.00 72.32 C ATOM 572 NE ARG A 37 -12.741 -0.618 -8.867 1.00 5.42 N ATOM 573 CZ ARG A 37 -13.264 -1.100 -9.961 1.00 51.15 C ATOM 574 NH1 ARG A 37 -14.547 -1.251 -10.069 1.00 64.41 N ATOM 575 NH2 ARG A 37 -12.496 -1.439 -10.945 1.00 22.13 N ATOM 0 H ARG A 37 -10.716 -1.862 -5.962 1.00 4.24 H new ATOM 0 HA ARG A 37 -9.508 0.642 -5.434 1.00 60.21 H new ATOM 0 HB2 ARG A 37 -11.649 1.514 -6.391 1.00 41.24 H new ATOM 0 HB3 ARG A 37 -10.909 0.273 -7.382 1.00 41.24 H new ATOM 0 HG2 ARG A 37 -12.494 -1.402 -6.247 1.00 61.13 H new ATOM 0 HG3 ARG A 37 -13.326 -0.020 -5.563 1.00 61.13 H new ATOM 0 HD2 ARG A 37 -14.431 -0.764 -7.635 1.00 72.32 H new ATOM 0 HD3 ARG A 37 -13.798 0.859 -7.820 1.00 72.32 H new ATOM 0 HE ARG A 37 -11.725 -0.537 -8.823 1.00 5.42 H new ATOM 0 HH11 ARG A 37 -15.158 -0.992 -9.294 1.00 64.41 H new ATOM 0 HH12 ARG A 37 -14.945 -1.629 -10.929 1.00 64.41 H new ATOM 0 HH21 ARG A 37 -11.485 -1.329 -10.864 1.00 22.13 H new ATOM 0 HH22 ARG A 37 -12.901 -1.816 -11.802 1.00 22.13 H new ATOM 589 N HIS A 38 -11.807 -0.290 -3.287 1.00 43.10 N ATOM 590 CA HIS A 38 -12.409 0.031 -1.986 1.00 44.13 C ATOM 591 C HIS A 38 -11.364 -0.036 -0.864 1.00 64.25 C ATOM 592 O HIS A 38 -11.411 0.743 0.089 1.00 34.20 O ATOM 593 CB HIS A 38 -13.585 -0.911 -1.687 1.00 41.12 C ATOM 594 CG HIS A 38 -14.715 -0.781 -2.665 1.00 5.31 C ATOM 595 ND1 HIS A 38 -15.588 0.280 -2.613 1.00 64.52 N ATOM 596 CD2 HIS A 38 -15.067 -1.591 -3.694 1.00 54.12 C ATOM 597 CE1 HIS A 38 -16.444 0.094 -3.601 1.00 71.43 C ATOM 598 NE2 HIS A 38 -16.167 -1.025 -4.282 1.00 55.31 N ATOM 0 H HIS A 38 -12.038 -1.219 -3.639 1.00 43.10 H new ATOM 0 HA HIS A 38 -12.788 1.052 -2.033 1.00 44.13 H new ATOM 0 HB2 HIS A 38 -13.227 -1.940 -1.692 1.00 41.12 H new ATOM 0 HB3 HIS A 38 -13.958 -0.708 -0.683 1.00 41.12 H new ATOM 0 HD2 HIS A 38 -14.575 -2.505 -3.992 1.00 54.12 H new ATOM 0 HE1 HIS A 38 -17.263 0.760 -3.830 1.00 71.43 H new ATOM 0 HE2 HIS A 38 -16.678 -1.387 -5.087 1.00 55.31 H new ATOM 606 N VAL A 39 -10.414 -0.963 -0.988 1.00 50.21 N ATOM 607 CA VAL A 39 -9.284 -1.033 -0.055 1.00 2.43 C ATOM 608 C VAL A 39 -8.490 0.285 -0.083 1.00 61.43 C ATOM 609 O VAL A 39 -8.061 0.793 0.956 1.00 60.23 O ATOM 610 CB VAL A 39 -8.339 -2.218 -0.390 1.00 50.03 C ATOM 611 CG1 VAL A 39 -7.197 -2.315 0.624 1.00 4.01 C ATOM 612 CG2 VAL A 39 -9.120 -3.530 -0.454 1.00 54.32 C ATOM 0 H VAL A 39 -10.402 -1.673 -1.720 1.00 50.21 H new ATOM 0 HA VAL A 39 -9.691 -1.194 0.943 1.00 2.43 H new ATOM 0 HB VAL A 39 -7.901 -2.032 -1.371 1.00 50.03 H new ATOM 0 HG11 VAL A 39 -6.551 -3.154 0.365 1.00 4.01 H new ATOM 0 HG12 VAL A 39 -6.617 -1.392 0.609 1.00 4.01 H new ATOM 0 HG13 VAL A 39 -7.608 -2.469 1.622 1.00 4.01 H new ATOM 0 HG21 VAL A 39 -8.439 -4.348 -0.690 1.00 54.32 H new ATOM 0 HG22 VAL A 39 -9.594 -3.719 0.509 1.00 54.32 H new ATOM 0 HG23 VAL A 39 -9.885 -3.461 -1.227 1.00 54.32 H new ATOM 622 N GLY A 40 -8.320 0.839 -1.287 1.00 42.31 N ATOM 623 CA GLY A 40 -7.690 2.147 -1.439 1.00 25.23 C ATOM 624 C GLY A 40 -8.460 3.257 -0.728 1.00 54.12 C ATOM 625 O GLY A 40 -7.864 4.140 -0.108 1.00 12.11 O ATOM 0 H GLY A 40 -8.609 0.403 -2.163 1.00 42.31 H new ATOM 0 HA2 GLY A 40 -6.675 2.105 -1.045 1.00 25.23 H new ATOM 0 HA3 GLY A 40 -7.611 2.387 -2.499 1.00 25.23 H new ATOM 629 N LYS A 41 -9.790 3.216 -0.823 1.00 40.44 N ATOM 630 CA LYS A 41 -10.643 4.152 -0.083 1.00 21.32 C ATOM 631 C LYS A 41 -10.377 4.041 1.428 1.00 14.44 C ATOM 632 O LYS A 41 -10.155 5.043 2.110 1.00 41.21 O ATOM 633 CB LYS A 41 -12.129 3.874 -0.366 1.00 72.31 C ATOM 634 CG LYS A 41 -12.524 3.978 -1.837 1.00 55.03 C ATOM 635 CD LYS A 41 -13.996 3.624 -2.043 1.00 74.01 C ATOM 636 CE LYS A 41 -14.396 3.638 -3.517 1.00 61.41 C ATOM 637 NZ LYS A 41 -14.245 4.984 -4.135 1.00 51.10 N ATOM 0 H LYS A 41 -10.300 2.548 -1.402 1.00 40.44 H new ATOM 0 HA LYS A 41 -10.403 5.162 -0.416 1.00 21.32 H new ATOM 0 HB2 LYS A 41 -12.373 2.874 -0.007 1.00 72.31 H new ATOM 0 HB3 LYS A 41 -12.733 4.576 0.210 1.00 72.31 H new ATOM 0 HG2 LYS A 41 -12.338 4.991 -2.195 1.00 55.03 H new ATOM 0 HG3 LYS A 41 -11.901 3.310 -2.431 1.00 55.03 H new ATOM 0 HD2 LYS A 41 -14.192 2.636 -1.625 1.00 74.01 H new ATOM 0 HD3 LYS A 41 -14.618 4.331 -1.494 1.00 74.01 H new ATOM 0 HE2 LYS A 41 -13.784 2.920 -4.063 1.00 61.41 H new ATOM 0 HE3 LYS A 41 -15.432 3.312 -3.612 1.00 61.41 H new ATOM 0 HZ1 LYS A 41 -14.608 4.961 -5.109 1.00 51.10 H new ATOM 0 HZ2 LYS A 41 -14.782 5.682 -3.582 1.00 51.10 H new ATOM 0 HZ3 LYS A 41 -13.240 5.250 -4.146 1.00 51.10 H new ATOM 651 N ALA A 42 -10.381 2.803 1.930 1.00 12.01 N ATOM 652 CA ALA A 42 -10.156 2.528 3.354 1.00 61.11 C ATOM 653 C ALA A 42 -8.816 3.105 3.835 1.00 41.23 C ATOM 654 O ALA A 42 -8.767 3.872 4.799 1.00 71.41 O ATOM 655 CB ALA A 42 -10.215 1.024 3.611 1.00 23.15 C ATOM 0 H ALA A 42 -10.539 1.968 1.366 1.00 12.01 H new ATOM 0 HA ALA A 42 -10.947 3.018 3.922 1.00 61.11 H new ATOM 0 HB1 ALA A 42 -10.047 0.829 4.670 1.00 23.15 H new ATOM 0 HB2 ALA A 42 -11.195 0.644 3.323 1.00 23.15 H new ATOM 0 HB3 ALA A 42 -9.445 0.524 3.023 1.00 23.15 H new ATOM 661 N LEU A 43 -7.730 2.749 3.148 1.00 61.24 N ATOM 662 CA LEU A 43 -6.398 3.262 3.492 1.00 0.23 C ATOM 663 C LEU A 43 -6.333 4.788 3.319 1.00 51.14 C ATOM 664 O LEU A 43 -5.630 5.478 4.056 1.00 1.20 O ATOM 665 CB LEU A 43 -5.318 2.585 2.633 1.00 74.30 C ATOM 666 CG LEU A 43 -5.255 1.050 2.735 1.00 72.25 C ATOM 667 CD1 LEU A 43 -4.023 0.511 2.012 1.00 11.33 C ATOM 668 CD2 LEU A 43 -5.269 0.593 4.193 1.00 75.42 C ATOM 0 H LEU A 43 -7.743 2.110 2.353 1.00 61.24 H new ATOM 0 HA LEU A 43 -6.210 3.027 4.540 1.00 0.23 H new ATOM 0 HB2 LEU A 43 -5.485 2.856 1.590 1.00 74.30 H new ATOM 0 HB3 LEU A 43 -4.347 2.991 2.916 1.00 74.30 H new ATOM 0 HG LEU A 43 -6.143 0.645 2.249 1.00 72.25 H new ATOM 0 HD11 LEU A 43 -3.998 -0.575 2.096 1.00 11.33 H new ATOM 0 HD12 LEU A 43 -4.067 0.792 0.960 1.00 11.33 H new ATOM 0 HD13 LEU A 43 -3.124 0.931 2.463 1.00 11.33 H new ATOM 0 HD21 LEU A 43 -5.224 -0.495 4.234 1.00 75.42 H new ATOM 0 HD22 LEU A 43 -4.408 1.012 4.714 1.00 75.42 H new ATOM 0 HD23 LEU A 43 -6.185 0.936 4.673 1.00 75.42 H new ATOM 680 N GLY A 44 -7.088 5.308 2.348 1.00 75.34 N ATOM 681 CA GLY A 44 -7.163 6.750 2.135 1.00 1.54 C ATOM 682 C GLY A 44 -7.760 7.506 3.321 1.00 4.51 C ATOM 683 O GLY A 44 -7.529 8.705 3.481 1.00 33.43 O ATOM 0 H GLY A 44 -7.651 4.754 1.703 1.00 75.34 H new ATOM 0 HA2 GLY A 44 -6.162 7.133 1.935 1.00 1.54 H new ATOM 0 HA3 GLY A 44 -7.763 6.948 1.247 1.00 1.54 H new ATOM 687 N ASN A 45 -8.540 6.806 4.147 1.00 13.24 N ATOM 688 CA ASN A 45 -9.123 7.404 5.358 1.00 12.45 C ATOM 689 C ASN A 45 -8.098 7.451 6.505 1.00 34.40 C ATOM 690 O ASN A 45 -8.243 8.230 7.452 1.00 74.25 O ATOM 691 CB ASN A 45 -10.370 6.620 5.804 1.00 23.24 C ATOM 692 CG ASN A 45 -11.559 6.786 4.865 1.00 0.35 C ATOM 693 OD1 ASN A 45 -12.708 6.758 5.293 1.00 43.12 O ATOM 694 ND2 ASN A 45 -11.307 6.948 3.582 1.00 42.21 N ATOM 0 H ASN A 45 -8.784 5.826 4.003 1.00 13.24 H new ATOM 0 HA ASN A 45 -9.414 8.426 5.114 1.00 12.45 H new ATOM 0 HB2 ASN A 45 -10.118 5.562 5.875 1.00 23.24 H new ATOM 0 HB3 ASN A 45 -10.657 6.947 6.803 1.00 23.24 H new ATOM 0 HD21 ASN A 45 -12.076 7.054 2.921 1.00 42.21 H new ATOM 0 HD22 ASN A 45 -10.343 6.968 3.250 1.00 42.21 H new ATOM 701 N LEU A 46 -7.060 6.623 6.407 1.00 40.31 N ATOM 702 CA LEU A 46 -6.027 6.530 7.444 1.00 52.12 C ATOM 703 C LEU A 46 -5.039 7.709 7.390 1.00 2.50 C ATOM 704 O LEU A 46 -4.655 8.170 6.310 1.00 30.33 O ATOM 705 CB LEU A 46 -5.265 5.202 7.305 1.00 22.44 C ATOM 706 CG LEU A 46 -6.062 3.946 7.700 1.00 51.41 C ATOM 707 CD1 LEU A 46 -5.306 2.679 7.310 1.00 13.54 C ATOM 708 CD2 LEU A 46 -6.363 3.956 9.199 1.00 24.14 C ATOM 0 H LEU A 46 -6.909 6.000 5.613 1.00 40.31 H new ATOM 0 HA LEU A 46 -6.530 6.570 8.410 1.00 52.12 H new ATOM 0 HB2 LEU A 46 -4.938 5.095 6.271 1.00 22.44 H new ATOM 0 HB3 LEU A 46 -4.366 5.251 7.920 1.00 22.44 H new ATOM 0 HG LEU A 46 -7.007 3.955 7.158 1.00 51.41 H new ATOM 0 HD11 LEU A 46 -5.889 1.804 7.599 1.00 13.54 H new ATOM 0 HD12 LEU A 46 -5.146 2.668 6.232 1.00 13.54 H new ATOM 0 HD13 LEU A 46 -4.343 2.658 7.820 1.00 13.54 H new ATOM 0 HD21 LEU A 46 -6.927 3.061 9.463 1.00 24.14 H new ATOM 0 HD22 LEU A 46 -5.427 3.973 9.758 1.00 24.14 H new ATOM 0 HD23 LEU A 46 -6.949 4.841 9.446 1.00 24.14 H new ATOM 720 N PRO A 47 -4.625 8.219 8.566 1.00 62.14 N ATOM 721 CA PRO A 47 -3.626 9.284 8.664 1.00 3.24 C ATOM 722 C PRO A 47 -2.185 8.742 8.725 1.00 15.22 C ATOM 723 O PRO A 47 -1.961 7.534 8.833 1.00 5.31 O ATOM 724 CB PRO A 47 -4.009 9.956 9.983 1.00 11.34 C ATOM 725 CG PRO A 47 -4.501 8.834 10.840 1.00 0.04 C ATOM 726 CD PRO A 47 -5.113 7.812 9.903 1.00 64.21 C ATOM 0 HA PRO A 47 -3.628 9.947 7.799 1.00 3.24 H new ATOM 0 HB2 PRO A 47 -3.154 10.458 10.437 1.00 11.34 H new ATOM 0 HB3 PRO A 47 -4.781 10.712 9.835 1.00 11.34 H new ATOM 0 HG2 PRO A 47 -3.683 8.395 11.412 1.00 0.04 H new ATOM 0 HG3 PRO A 47 -5.238 9.190 11.560 1.00 0.04 H new ATOM 0 HD2 PRO A 47 -4.796 6.800 10.153 1.00 64.21 H new ATOM 0 HD3 PRO A 47 -6.202 7.826 9.952 1.00 64.21 H new ATOM 734 N GLU A 48 -1.209 9.644 8.669 1.00 21.41 N ATOM 735 CA GLU A 48 0.205 9.257 8.740 1.00 3.01 C ATOM 736 C GLU A 48 0.554 8.603 10.092 1.00 22.15 C ATOM 737 O GLU A 48 1.414 7.726 10.160 1.00 21.21 O ATOM 738 CB GLU A 48 1.128 10.466 8.478 1.00 2.31 C ATOM 739 CG GLU A 48 0.886 11.676 9.385 1.00 43.33 C ATOM 740 CD GLU A 48 -0.273 12.550 8.923 1.00 44.14 C ATOM 741 OE1 GLU A 48 -0.049 13.449 8.088 1.00 54.12 O ATOM 742 OE2 GLU A 48 -1.413 12.338 9.388 1.00 22.20 O ATOM 0 H GLU A 48 -1.366 10.647 8.575 1.00 21.41 H new ATOM 0 HA GLU A 48 0.370 8.517 7.957 1.00 3.01 H new ATOM 0 HB2 GLU A 48 2.163 10.145 8.595 1.00 2.31 H new ATOM 0 HB3 GLU A 48 1.006 10.779 7.441 1.00 2.31 H new ATOM 0 HG2 GLU A 48 0.689 11.328 10.399 1.00 43.33 H new ATOM 0 HG3 GLU A 48 1.793 12.279 9.426 1.00 43.33 H new ATOM 749 N GLY A 49 -0.129 9.016 11.162 1.00 42.41 N ATOM 750 CA GLY A 49 0.106 8.424 12.480 1.00 75.54 C ATOM 751 C GLY A 49 -0.735 7.171 12.734 1.00 74.11 C ATOM 752 O GLY A 49 -1.427 7.072 13.748 1.00 75.32 O ATOM 0 H GLY A 49 -0.839 9.748 11.143 1.00 42.41 H new ATOM 0 HA2 GLY A 49 1.162 8.171 12.575 1.00 75.54 H new ATOM 0 HA3 GLY A 49 -0.115 9.164 13.249 1.00 75.54 H new ATOM 756 N SER A 50 -0.673 6.212 11.811 1.00 12.12 N ATOM 757 CA SER A 50 -1.464 4.970 11.904 1.00 72.41 C ATOM 758 C SER A 50 -0.617 3.778 12.380 1.00 4.55 C ATOM 759 O SER A 50 0.553 3.645 12.007 1.00 65.31 O ATOM 760 CB SER A 50 -2.081 4.642 10.536 1.00 40.10 C ATOM 761 OG SER A 50 -2.688 3.358 10.524 1.00 13.31 O ATOM 0 H SER A 50 -0.081 6.266 10.982 1.00 12.12 H new ATOM 0 HA SER A 50 -2.249 5.138 12.642 1.00 72.41 H new ATOM 0 HB2 SER A 50 -2.824 5.398 10.282 1.00 40.10 H new ATOM 0 HB3 SER A 50 -1.308 4.685 9.769 1.00 40.10 H new ATOM 0 HG SER A 50 -2.143 2.744 9.989 1.00 13.31 H new ATOM 767 N LYS A 51 -1.213 2.908 13.204 1.00 52.12 N ATOM 768 CA LYS A 51 -0.546 1.669 13.639 1.00 73.44 C ATOM 769 C LYS A 51 -0.409 0.685 12.465 1.00 64.54 C ATOM 770 O LYS A 51 0.577 -0.047 12.356 1.00 61.13 O ATOM 771 CB LYS A 51 -1.316 1.005 14.797 1.00 5.03 C ATOM 772 CG LYS A 51 -2.739 0.578 14.442 1.00 54.55 C ATOM 773 CD LYS A 51 -3.448 -0.088 15.620 1.00 31.11 C ATOM 774 CE LYS A 51 -4.845 -0.569 15.236 1.00 11.25 C ATOM 775 NZ LYS A 51 -5.558 -1.197 16.381 1.00 44.31 N ATOM 0 H LYS A 51 -2.151 3.035 13.583 1.00 52.12 H new ATOM 0 HA LYS A 51 0.450 1.934 13.993 1.00 73.44 H new ATOM 0 HB2 LYS A 51 -0.760 0.130 15.133 1.00 5.03 H new ATOM 0 HB3 LYS A 51 -1.356 1.699 15.636 1.00 5.03 H new ATOM 0 HG2 LYS A 51 -3.310 1.450 14.121 1.00 54.55 H new ATOM 0 HG3 LYS A 51 -2.711 -0.112 13.599 1.00 54.55 H new ATOM 0 HD2 LYS A 51 -2.856 -0.933 15.972 1.00 31.11 H new ATOM 0 HD3 LYS A 51 -3.520 0.617 16.448 1.00 31.11 H new ATOM 0 HE2 LYS A 51 -5.428 0.274 14.865 1.00 11.25 H new ATOM 0 HE3 LYS A 51 -4.768 -1.287 14.420 1.00 11.25 H new ATOM 0 HZ1 LYS A 51 -6.502 -1.508 16.074 1.00 44.31 H new ATOM 0 HZ2 LYS A 51 -5.016 -2.017 16.720 1.00 44.31 H new ATOM 0 HZ3 LYS A 51 -5.655 -0.505 17.151 1.00 44.31 H new ATOM 789 N LEU A 52 -1.416 0.674 11.596 1.00 24.32 N ATOM 790 CA LEU A 52 -1.395 -0.139 10.378 1.00 73.35 C ATOM 791 C LEU A 52 -0.583 0.556 9.274 1.00 55.05 C ATOM 792 O LEU A 52 -0.906 1.684 8.882 1.00 45.32 O ATOM 793 CB LEU A 52 -2.832 -0.372 9.881 1.00 1.12 C ATOM 794 CG LEU A 52 -2.957 -1.073 8.514 1.00 13.43 C ATOM 795 CD1 LEU A 52 -2.523 -2.533 8.602 1.00 24.11 C ATOM 796 CD2 LEU A 52 -4.380 -0.962 7.979 1.00 34.11 C ATOM 0 H LEU A 52 -2.267 1.225 11.713 1.00 24.32 H new ATOM 0 HA LEU A 52 -0.926 -1.095 10.612 1.00 73.35 H new ATOM 0 HB2 LEU A 52 -3.363 -0.967 10.624 1.00 1.12 H new ATOM 0 HB3 LEU A 52 -3.338 0.592 9.823 1.00 1.12 H new ATOM 0 HG LEU A 52 -2.289 -0.568 7.816 1.00 13.43 H new ATOM 0 HD11 LEU A 52 -2.622 -3.002 7.623 1.00 24.11 H new ATOM 0 HD12 LEU A 52 -1.483 -2.585 8.926 1.00 24.11 H new ATOM 0 HD13 LEU A 52 -3.153 -3.057 9.321 1.00 24.11 H new ATOM 0 HD21 LEU A 52 -4.446 -1.463 7.013 1.00 34.11 H new ATOM 0 HD22 LEU A 52 -5.070 -1.432 8.680 1.00 34.11 H new ATOM 0 HD23 LEU A 52 -4.643 0.089 7.861 1.00 34.11 H new ATOM 808 N PRO A 53 0.483 -0.090 8.751 1.00 24.44 N ATOM 809 CA PRO A 53 1.252 0.484 7.643 1.00 54.23 C ATOM 810 C PRO A 53 0.477 0.418 6.319 1.00 1.13 C ATOM 811 O PRO A 53 0.519 -0.579 5.602 1.00 65.51 O ATOM 812 CB PRO A 53 2.510 -0.399 7.596 1.00 0.23 C ATOM 813 CG PRO A 53 2.067 -1.713 8.150 1.00 42.34 C ATOM 814 CD PRO A 53 1.022 -1.395 9.191 1.00 25.11 C ATOM 0 HA PRO A 53 1.473 1.542 7.786 1.00 54.23 H new ATOM 0 HB2 PRO A 53 2.883 -0.504 6.577 1.00 0.23 H new ATOM 0 HB3 PRO A 53 3.318 0.030 8.189 1.00 0.23 H new ATOM 0 HG2 PRO A 53 1.656 -2.348 7.366 1.00 42.34 H new ATOM 0 HG3 PRO A 53 2.905 -2.253 8.591 1.00 42.34 H new ATOM 0 HD2 PRO A 53 0.245 -2.159 9.226 1.00 25.11 H new ATOM 0 HD3 PRO A 53 1.455 -1.334 10.189 1.00 25.11 H new ATOM 822 N TRP A 54 -0.219 1.502 5.995 1.00 55.31 N ATOM 823 CA TRP A 54 -1.049 1.564 4.784 1.00 13.42 C ATOM 824 C TRP A 54 -0.229 1.951 3.547 1.00 64.31 C ATOM 825 O TRP A 54 -0.574 1.602 2.419 1.00 41.54 O ATOM 826 CB TRP A 54 -2.211 2.550 4.994 1.00 72.45 C ATOM 827 CG TRP A 54 -1.800 3.894 5.539 1.00 11.05 C ATOM 828 CD1 TRP A 54 -1.731 4.257 6.855 1.00 3.55 C ATOM 829 CD2 TRP A 54 -1.413 5.051 4.787 1.00 35.23 C ATOM 830 NE1 TRP A 54 -1.326 5.563 6.964 1.00 40.34 N ATOM 831 CE2 TRP A 54 -1.126 6.073 5.710 1.00 75.44 C ATOM 832 CE3 TRP A 54 -1.284 5.321 3.422 1.00 22.01 C ATOM 833 CZ2 TRP A 54 -0.714 7.345 5.311 1.00 3.52 C ATOM 834 CZ3 TRP A 54 -0.877 6.580 3.028 1.00 21.42 C ATOM 835 CH2 TRP A 54 -0.595 7.578 3.970 1.00 23.12 C ATOM 0 H TRP A 54 -0.229 2.356 6.553 1.00 55.31 H new ATOM 0 HA TRP A 54 -1.452 0.567 4.604 1.00 13.42 H new ATOM 0 HB2 TRP A 54 -2.721 2.699 4.042 1.00 72.45 H new ATOM 0 HB3 TRP A 54 -2.933 2.101 5.676 1.00 72.45 H new ATOM 0 HD1 TRP A 54 -1.962 3.610 7.688 1.00 3.55 H new ATOM 0 HE1 TRP A 54 -1.195 6.072 7.838 1.00 40.34 H new ATOM 0 HE3 TRP A 54 -1.499 4.558 2.688 1.00 22.01 H new ATOM 0 HZ2 TRP A 54 -0.497 8.116 6.035 1.00 3.52 H new ATOM 0 HZ3 TRP A 54 -0.774 6.799 1.976 1.00 21.42 H new ATOM 0 HH2 TRP A 54 -0.277 8.552 3.629 1.00 23.12 H new ATOM 846 N PHE A 55 0.871 2.650 3.781 1.00 72.34 N ATOM 847 CA PHE A 55 1.730 3.149 2.706 1.00 70.12 C ATOM 848 C PHE A 55 2.363 2.026 1.864 1.00 4.31 C ATOM 849 O PHE A 55 2.740 2.248 0.714 1.00 60.13 O ATOM 850 CB PHE A 55 2.819 4.054 3.298 1.00 44.34 C ATOM 851 CG PHE A 55 3.585 3.433 4.446 1.00 3.40 C ATOM 852 CD1 PHE A 55 3.109 3.528 5.748 1.00 31.44 C ATOM 853 CD2 PHE A 55 4.781 2.766 4.227 1.00 3.53 C ATOM 854 CE1 PHE A 55 3.808 2.971 6.802 1.00 52.41 C ATOM 855 CE2 PHE A 55 5.483 2.209 5.278 1.00 51.34 C ATOM 856 CZ PHE A 55 4.996 2.311 6.567 1.00 52.33 C ATOM 0 H PHE A 55 1.197 2.890 4.717 1.00 72.34 H new ATOM 0 HA PHE A 55 1.097 3.719 2.026 1.00 70.12 H new ATOM 0 HB2 PHE A 55 3.522 4.321 2.509 1.00 44.34 H new ATOM 0 HB3 PHE A 55 2.359 4.980 3.642 1.00 44.34 H new ATOM 0 HD1 PHE A 55 2.180 4.044 5.939 1.00 31.44 H new ATOM 0 HD2 PHE A 55 5.168 2.681 3.222 1.00 3.53 H new ATOM 0 HE1 PHE A 55 3.425 3.052 7.808 1.00 52.41 H new ATOM 0 HE2 PHE A 55 6.413 1.693 5.092 1.00 51.34 H new ATOM 0 HZ PHE A 55 5.544 1.875 7.389 1.00 52.33 H new ATOM 866 N ARG A 56 2.466 0.823 2.430 1.00 12.41 N ATOM 867 CA ARG A 56 3.101 -0.308 1.734 1.00 0.11 C ATOM 868 C ARG A 56 2.197 -0.909 0.642 1.00 62.10 C ATOM 869 O ARG A 56 2.607 -1.825 -0.071 1.00 2.05 O ATOM 870 CB ARG A 56 3.495 -1.407 2.735 1.00 45.31 C ATOM 871 CG ARG A 56 4.538 -0.972 3.761 1.00 14.02 C ATOM 872 CD ARG A 56 4.917 -2.117 4.697 1.00 23.41 C ATOM 873 NE ARG A 56 5.837 -1.689 5.750 1.00 42.11 N ATOM 874 CZ ARG A 56 5.935 -2.262 6.921 1.00 5.03 C ATOM 875 NH1 ARG A 56 5.231 -3.311 7.214 1.00 13.43 N ATOM 876 NH2 ARG A 56 6.756 -1.794 7.796 1.00 74.33 N ATOM 0 H ARG A 56 2.121 0.602 3.364 1.00 12.41 H new ATOM 0 HA ARG A 56 3.994 0.086 1.249 1.00 0.11 H new ATOM 0 HB2 ARG A 56 2.601 -1.741 3.261 1.00 45.31 H new ATOM 0 HB3 ARG A 56 3.880 -2.265 2.183 1.00 45.31 H new ATOM 0 HG2 ARG A 56 5.429 -0.613 3.245 1.00 14.02 H new ATOM 0 HG3 ARG A 56 4.149 -0.138 4.345 1.00 14.02 H new ATOM 0 HD2 ARG A 56 4.015 -2.527 5.150 1.00 23.41 H new ATOM 0 HD3 ARG A 56 5.377 -2.919 4.119 1.00 23.41 H new ATOM 0 HE ARG A 56 6.442 -0.891 5.558 1.00 42.11 H new ATOM 0 HH11 ARG A 56 4.588 -3.702 6.526 1.00 13.43 H new ATOM 0 HH12 ARG A 56 5.320 -3.745 8.133 1.00 13.43 H new ATOM 0 HH21 ARG A 56 7.327 -0.979 7.574 1.00 74.33 H new ATOM 0 HH22 ARG A 56 6.835 -2.239 8.711 1.00 74.33 H new ATOM 890 N VAL A 57 0.971 -0.404 0.511 1.00 65.42 N ATOM 891 CA VAL A 57 0.028 -0.925 -0.490 1.00 25.20 C ATOM 892 C VAL A 57 -0.310 0.132 -1.557 1.00 3.14 C ATOM 893 O VAL A 57 -0.937 1.151 -1.264 1.00 44.15 O ATOM 894 CB VAL A 57 -1.283 -1.420 0.172 1.00 64.23 C ATOM 895 CG1 VAL A 57 -2.175 -2.118 -0.854 1.00 51.54 C ATOM 896 CG2 VAL A 57 -0.981 -2.345 1.352 1.00 53.12 C ATOM 0 H VAL A 57 0.605 0.360 1.079 1.00 65.42 H new ATOM 0 HA VAL A 57 0.523 -1.767 -0.974 1.00 25.20 H new ATOM 0 HB VAL A 57 -1.820 -0.552 0.554 1.00 64.23 H new ATOM 0 HG11 VAL A 57 -3.090 -2.458 -0.369 1.00 51.54 H new ATOM 0 HG12 VAL A 57 -2.425 -1.420 -1.653 1.00 51.54 H new ATOM 0 HG13 VAL A 57 -1.647 -2.974 -1.273 1.00 51.54 H new ATOM 0 HG21 VAL A 57 -1.916 -2.680 1.801 1.00 53.12 H new ATOM 0 HG22 VAL A 57 -0.417 -3.209 1.002 1.00 53.12 H new ATOM 0 HG23 VAL A 57 -0.394 -1.806 2.096 1.00 53.12 H new ATOM 906 N ILE A 58 0.103 -0.125 -2.799 1.00 61.55 N ATOM 907 CA ILE A 58 -0.146 0.799 -3.915 1.00 71.21 C ATOM 908 C ILE A 58 -1.058 0.171 -4.985 1.00 11.23 C ATOM 909 O ILE A 58 -1.622 -0.907 -4.784 1.00 24.14 O ATOM 910 CB ILE A 58 1.177 1.255 -4.576 1.00 12.42 C ATOM 911 CG1 ILE A 58 1.958 0.048 -5.122 1.00 50.41 C ATOM 912 CG2 ILE A 58 2.022 2.047 -3.583 1.00 41.43 C ATOM 913 CD1 ILE A 58 3.219 0.427 -5.868 1.00 51.25 C ATOM 0 H ILE A 58 0.614 -0.968 -3.062 1.00 61.55 H new ATOM 0 HA ILE A 58 -0.651 1.667 -3.491 1.00 71.21 H new ATOM 0 HB ILE A 58 0.937 1.906 -5.416 1.00 12.42 H new ATOM 0 HG12 ILE A 58 2.220 -0.609 -4.293 1.00 50.41 H new ATOM 0 HG13 ILE A 58 1.310 -0.522 -5.788 1.00 50.41 H new ATOM 0 HG21 ILE A 58 2.949 2.361 -4.063 1.00 41.43 H new ATOM 0 HG22 ILE A 58 1.468 2.926 -3.254 1.00 41.43 H new ATOM 0 HG23 ILE A 58 2.253 1.421 -2.721 1.00 41.43 H new ATOM 0 HD11 ILE A 58 3.717 -0.475 -6.224 1.00 51.25 H new ATOM 0 HD12 ILE A 58 2.963 1.059 -6.718 1.00 51.25 H new ATOM 0 HD13 ILE A 58 3.887 0.971 -5.200 1.00 51.25 H new ATOM 925 N ASN A 59 -1.202 0.849 -6.127 1.00 74.01 N ATOM 926 CA ASN A 59 -2.104 0.387 -7.193 1.00 22.21 C ATOM 927 C ASN A 59 -1.442 -0.676 -8.093 1.00 2.32 C ATOM 928 O ASN A 59 -0.274 -1.019 -7.922 1.00 2.31 O ATOM 929 CB ASN A 59 -2.589 1.579 -8.035 1.00 3.12 C ATOM 930 CG ASN A 59 -1.467 2.317 -8.750 1.00 0.22 C ATOM 931 OD1 ASN A 59 -0.453 1.737 -9.121 1.00 53.41 O ATOM 932 ND2 ASN A 59 -1.644 3.603 -8.959 1.00 22.52 N ATOM 0 H ASN A 59 -0.709 1.716 -6.340 1.00 74.01 H new ATOM 0 HA ASN A 59 -2.962 -0.085 -6.714 1.00 22.21 H new ATOM 0 HB2 ASN A 59 -3.307 1.223 -8.774 1.00 3.12 H new ATOM 0 HB3 ASN A 59 -3.118 2.279 -7.388 1.00 3.12 H new ATOM 0 HD21 ASN A 59 -0.927 4.145 -9.441 1.00 22.52 H new ATOM 0 HD22 ASN A 59 -2.498 4.059 -8.639 1.00 22.52 H new ATOM 939 N SER A 60 -2.203 -1.183 -9.064 1.00 20.04 N ATOM 940 CA SER A 60 -1.715 -2.223 -9.986 1.00 2.13 C ATOM 941 C SER A 60 -0.880 -1.630 -11.132 1.00 75.13 C ATOM 942 O SER A 60 -0.380 -2.360 -11.991 1.00 25.20 O ATOM 943 CB SER A 60 -2.901 -3.006 -10.564 1.00 54.45 C ATOM 944 OG SER A 60 -3.827 -2.133 -11.187 1.00 12.15 O ATOM 0 H SER A 60 -3.165 -0.892 -9.237 1.00 20.04 H new ATOM 0 HA SER A 60 -1.070 -2.891 -9.415 1.00 2.13 H new ATOM 0 HB2 SER A 60 -2.541 -3.738 -11.288 1.00 54.45 H new ATOM 0 HB3 SER A 60 -3.397 -3.562 -9.769 1.00 54.45 H new ATOM 0 HG SER A 60 -4.574 -2.653 -11.550 1.00 12.15 H new ATOM 950 N GLN A 61 -0.741 -0.306 -11.149 1.00 54.32 N ATOM 951 CA GLN A 61 0.070 0.383 -12.161 1.00 41.20 C ATOM 952 C GLN A 61 1.544 0.469 -11.734 1.00 42.44 C ATOM 953 O GLN A 61 2.434 0.642 -12.570 1.00 24.13 O ATOM 954 CB GLN A 61 -0.472 1.801 -12.402 1.00 52.13 C ATOM 955 CG GLN A 61 -1.904 1.850 -12.925 1.00 1.31 C ATOM 956 CD GLN A 61 -2.432 3.273 -13.050 1.00 65.45 C ATOM 957 OE1 GLN A 61 -2.051 4.162 -12.295 1.00 33.43 O ATOM 958 NE2 GLN A 61 -3.302 3.505 -14.011 1.00 25.40 N ATOM 0 H GLN A 61 -1.180 0.317 -10.472 1.00 54.32 H new ATOM 0 HA GLN A 61 0.008 -0.196 -13.082 1.00 41.20 H new ATOM 0 HB2 GLN A 61 -0.421 2.360 -11.468 1.00 52.13 H new ATOM 0 HB3 GLN A 61 0.179 2.309 -13.113 1.00 52.13 H new ATOM 0 HG2 GLN A 61 -1.948 1.363 -13.899 1.00 1.31 H new ATOM 0 HG3 GLN A 61 -2.551 1.283 -12.256 1.00 1.31 H new ATOM 0 HE21 GLN A 61 -3.600 2.746 -14.623 1.00 25.40 H new ATOM 0 HE22 GLN A 61 -3.678 4.444 -14.143 1.00 25.40 H new ATOM 967 N GLY A 62 1.792 0.342 -10.431 1.00 61.51 N ATOM 968 CA GLY A 62 3.135 0.537 -9.893 1.00 72.24 C ATOM 969 C GLY A 62 3.358 1.963 -9.403 1.00 64.41 C ATOM 970 O GLY A 62 4.491 2.434 -9.309 1.00 14.43 O ATOM 0 H GLY A 62 1.085 0.107 -9.734 1.00 61.51 H new ATOM 0 HA2 GLY A 62 3.299 -0.158 -9.070 1.00 72.24 H new ATOM 0 HA3 GLY A 62 3.870 0.300 -10.662 1.00 72.24 H new ATOM 974 N LYS A 63 2.260 2.648 -9.092 1.00 63.33 N ATOM 975 CA LYS A 63 2.296 4.047 -8.657 1.00 51.20 C ATOM 976 C LYS A 63 1.498 4.254 -7.360 1.00 14.41 C ATOM 977 O LYS A 63 0.806 3.351 -6.887 1.00 53.41 O ATOM 978 CB LYS A 63 1.723 4.954 -9.757 1.00 1.31 C ATOM 979 CG LYS A 63 2.533 4.951 -11.052 1.00 51.35 C ATOM 980 CD LYS A 63 1.898 5.839 -12.122 1.00 51.20 C ATOM 981 CE LYS A 63 1.782 7.291 -11.668 1.00 54.23 C ATOM 982 NZ LYS A 63 1.060 8.124 -12.664 1.00 11.02 N ATOM 0 H LYS A 63 1.321 2.252 -9.133 1.00 63.33 H new ATOM 0 HA LYS A 63 3.337 4.308 -8.465 1.00 51.20 H new ATOM 0 HB2 LYS A 63 0.703 4.639 -9.978 1.00 1.31 H new ATOM 0 HB3 LYS A 63 1.666 5.975 -9.379 1.00 1.31 H new ATOM 0 HG2 LYS A 63 3.546 5.297 -10.847 1.00 51.35 H new ATOM 0 HG3 LYS A 63 2.614 3.931 -11.428 1.00 51.35 H new ATOM 0 HD2 LYS A 63 2.494 5.791 -13.033 1.00 51.20 H new ATOM 0 HD3 LYS A 63 0.908 5.457 -12.369 1.00 51.20 H new ATOM 0 HE2 LYS A 63 1.260 7.332 -10.712 1.00 54.23 H new ATOM 0 HE3 LYS A 63 2.778 7.702 -11.505 1.00 54.23 H new ATOM 0 HZ1 LYS A 63 1.001 9.104 -12.320 1.00 11.02 H new ATOM 0 HZ2 LYS A 63 1.572 8.105 -13.569 1.00 11.02 H new ATOM 0 HZ3 LYS A 63 0.100 7.747 -12.801 1.00 11.02 H new ATOM 996 N ILE A 64 1.590 5.456 -6.800 1.00 23.43 N ATOM 997 CA ILE A 64 0.857 5.801 -5.580 1.00 24.41 C ATOM 998 C ILE A 64 -0.649 5.971 -5.860 1.00 72.30 C ATOM 999 O ILE A 64 -1.052 6.447 -6.925 1.00 35.21 O ATOM 1000 CB ILE A 64 1.423 7.097 -4.937 1.00 32.42 C ATOM 1001 CG1 ILE A 64 2.912 6.915 -4.593 1.00 60.10 C ATOM 1002 CG2 ILE A 64 0.630 7.477 -3.688 1.00 1.22 C ATOM 1003 CD1 ILE A 64 3.539 8.121 -3.923 1.00 64.32 C ATOM 0 H ILE A 64 2.166 6.212 -7.171 1.00 23.43 H new ATOM 0 HA ILE A 64 0.988 4.975 -4.880 1.00 24.41 H new ATOM 0 HB ILE A 64 1.326 7.907 -5.659 1.00 32.42 H new ATOM 0 HG12 ILE A 64 3.021 6.050 -3.938 1.00 60.10 H new ATOM 0 HG13 ILE A 64 3.462 6.693 -5.508 1.00 60.10 H new ATOM 0 HG21 ILE A 64 1.046 8.387 -3.256 1.00 1.22 H new ATOM 0 HG22 ILE A 64 -0.413 7.646 -3.957 1.00 1.22 H new ATOM 0 HG23 ILE A 64 0.691 6.669 -2.959 1.00 1.22 H new ATOM 0 HD11 ILE A 64 4.588 7.915 -3.712 1.00 64.32 H new ATOM 0 HD12 ILE A 64 3.464 8.984 -4.584 1.00 64.32 H new ATOM 0 HD13 ILE A 64 3.016 8.332 -2.990 1.00 64.32 H new ATOM 1015 N SER A 65 -1.475 5.561 -4.901 1.00 31.43 N ATOM 1016 CA SER A 65 -2.935 5.644 -5.038 1.00 64.31 C ATOM 1017 C SER A 65 -3.468 6.995 -4.550 1.00 41.15 C ATOM 1018 O SER A 65 -4.328 7.607 -5.191 1.00 41.24 O ATOM 1019 CB SER A 65 -3.598 4.520 -4.239 1.00 5.54 C ATOM 1020 OG SER A 65 -3.212 4.580 -2.875 1.00 72.41 O ATOM 0 H SER A 65 -1.161 5.165 -4.015 1.00 31.43 H new ATOM 0 HA SER A 65 -3.176 5.541 -6.096 1.00 64.31 H new ATOM 0 HB2 SER A 65 -4.682 4.600 -4.319 1.00 5.54 H new ATOM 0 HB3 SER A 65 -3.318 3.554 -4.659 1.00 5.54 H new ATOM 0 HG SER A 65 -3.500 3.763 -2.417 1.00 72.41 H new ATOM 1026 N LEU A 66 -2.965 7.449 -3.407 1.00 30.10 N ATOM 1027 CA LEU A 66 -3.384 8.729 -2.830 1.00 12.21 C ATOM 1028 C LEU A 66 -2.751 9.925 -3.559 1.00 3.14 C ATOM 1029 O LEU A 66 -1.730 9.795 -4.233 1.00 24.12 O ATOM 1030 CB LEU A 66 -3.037 8.773 -1.338 1.00 31.35 C ATOM 1031 CG LEU A 66 -3.711 7.687 -0.483 1.00 4.30 C ATOM 1032 CD1 LEU A 66 -3.368 7.863 0.994 1.00 70.25 C ATOM 1033 CD2 LEU A 66 -5.225 7.695 -0.693 1.00 41.24 C ATOM 0 H LEU A 66 -2.265 6.951 -2.858 1.00 30.10 H new ATOM 0 HA LEU A 66 -4.464 8.807 -2.953 1.00 12.21 H new ATOM 0 HB2 LEU A 66 -1.956 8.682 -1.229 1.00 31.35 H new ATOM 0 HB3 LEU A 66 -3.316 9.750 -0.944 1.00 31.35 H new ATOM 0 HG LEU A 66 -3.327 6.719 -0.804 1.00 4.30 H new ATOM 0 HD11 LEU A 66 -3.857 7.082 1.577 1.00 70.25 H new ATOM 0 HD12 LEU A 66 -2.288 7.793 1.128 1.00 70.25 H new ATOM 0 HD13 LEU A 66 -3.713 8.839 1.334 1.00 70.25 H new ATOM 0 HD21 LEU A 66 -5.682 6.919 -0.079 1.00 41.24 H new ATOM 0 HD22 LEU A 66 -5.627 8.667 -0.407 1.00 41.24 H new ATOM 0 HD23 LEU A 66 -5.448 7.505 -1.743 1.00 41.24 H new ATOM 1045 N LYS A 67 -3.364 11.096 -3.402 1.00 51.13 N ATOM 1046 CA LYS A 67 -2.933 12.312 -4.108 1.00 24.44 C ATOM 1047 C LYS A 67 -2.804 13.513 -3.155 1.00 74.20 C ATOM 1048 O LYS A 67 -3.283 13.477 -2.019 1.00 14.41 O ATOM 1049 CB LYS A 67 -3.923 12.634 -5.237 1.00 60.51 C ATOM 1050 CG LYS A 67 -5.385 12.622 -4.789 1.00 4.11 C ATOM 1051 CD LYS A 67 -6.338 12.909 -5.947 1.00 4.40 C ATOM 1052 CE LYS A 67 -7.795 12.697 -5.548 1.00 24.10 C ATOM 1053 NZ LYS A 67 -8.195 13.545 -4.391 1.00 52.12 N ATOM 0 H LYS A 67 -4.167 11.234 -2.789 1.00 51.13 H new ATOM 0 HA LYS A 67 -1.946 12.123 -4.529 1.00 24.44 H new ATOM 0 HB2 LYS A 67 -3.686 13.615 -5.649 1.00 60.51 H new ATOM 0 HB3 LYS A 67 -3.792 11.910 -6.042 1.00 60.51 H new ATOM 0 HG2 LYS A 67 -5.624 11.651 -4.355 1.00 4.11 H new ATOM 0 HG3 LYS A 67 -5.531 13.366 -4.006 1.00 4.11 H new ATOM 0 HD2 LYS A 67 -6.200 13.936 -6.286 1.00 4.40 H new ATOM 0 HD3 LYS A 67 -6.093 12.260 -6.788 1.00 4.40 H new ATOM 0 HE2 LYS A 67 -8.438 12.921 -6.399 1.00 24.10 H new ATOM 0 HE3 LYS A 67 -7.951 11.648 -5.297 1.00 24.10 H new ATOM 0 HZ1 LYS A 67 -9.213 13.429 -4.211 1.00 52.12 H new ATOM 0 HZ2 LYS A 67 -7.659 13.257 -3.548 1.00 52.12 H new ATOM 0 HZ3 LYS A 67 -7.993 14.542 -4.605 1.00 52.12 H new ATOM 1067 N GLY A 68 -2.150 14.572 -3.628 1.00 11.22 N ATOM 1068 CA GLY A 68 -1.959 15.772 -2.820 1.00 41.41 C ATOM 1069 C GLY A 68 -1.101 15.530 -1.580 1.00 52.30 C ATOM 1070 O GLY A 68 -0.095 14.823 -1.643 1.00 15.11 O ATOM 0 H GLY A 68 -1.745 14.623 -4.563 1.00 11.22 H new ATOM 0 HA2 GLY A 68 -1.493 16.544 -3.432 1.00 41.41 H new ATOM 0 HA3 GLY A 68 -2.932 16.154 -2.512 1.00 41.41 H new ATOM 1074 N ARG A 69 -1.503 16.107 -0.450 1.00 43.22 N ATOM 1075 CA ARG A 69 -0.772 15.936 0.816 1.00 41.51 C ATOM 1076 C ARG A 69 -0.684 14.455 1.223 1.00 23.14 C ATOM 1077 O ARG A 69 0.242 14.045 1.929 1.00 33.22 O ATOM 1078 CB ARG A 69 -1.455 16.744 1.925 1.00 23.33 C ATOM 1079 CG ARG A 69 -1.453 18.249 1.668 1.00 22.42 C ATOM 1080 CD ARG A 69 -2.390 18.989 2.613 1.00 4.14 C ATOM 1081 NE ARG A 69 -3.781 18.576 2.427 1.00 23.10 N ATOM 1082 CZ ARG A 69 -4.812 19.268 2.831 1.00 15.23 C ATOM 1083 NH1 ARG A 69 -4.653 20.391 3.454 1.00 62.12 N ATOM 1084 NH2 ARG A 69 -6.008 18.830 2.607 1.00 30.21 N ATOM 0 H ARG A 69 -2.331 16.699 -0.379 1.00 43.22 H new ATOM 0 HA ARG A 69 0.244 16.303 0.669 1.00 41.51 H new ATOM 0 HB2 ARG A 69 -2.485 16.403 2.032 1.00 23.33 H new ATOM 0 HB3 ARG A 69 -0.953 16.544 2.872 1.00 23.33 H new ATOM 0 HG2 ARG A 69 -0.441 18.636 1.785 1.00 22.42 H new ATOM 0 HG3 ARG A 69 -1.751 18.441 0.637 1.00 22.42 H new ATOM 0 HD2 ARG A 69 -2.089 18.802 3.644 1.00 4.14 H new ATOM 0 HD3 ARG A 69 -2.303 20.063 2.445 1.00 4.14 H new ATOM 0 HE ARG A 69 -3.957 17.691 1.951 1.00 23.10 H new ATOM 0 HH11 ARG A 69 -3.714 20.745 3.635 1.00 62.12 H new ATOM 0 HH12 ARG A 69 -5.467 20.922 3.764 1.00 62.12 H new ATOM 0 HH21 ARG A 69 -6.144 17.946 2.116 1.00 30.21 H new ATOM 0 HH22 ARG A 69 -6.815 19.368 2.921 1.00 30.21 H new ATOM 1098 N ASP A 70 -1.654 13.659 0.775 1.00 71.14 N ATOM 1099 CA ASP A 70 -1.664 12.219 1.045 1.00 74.13 C ATOM 1100 C ASP A 70 -0.606 11.480 0.214 1.00 13.04 C ATOM 1101 O ASP A 70 -0.082 10.449 0.640 1.00 62.13 O ATOM 1102 CB ASP A 70 -3.052 11.644 0.775 1.00 34.33 C ATOM 1103 CG ASP A 70 -4.092 12.242 1.696 1.00 53.11 C ATOM 1104 OD1 ASP A 70 -4.272 11.719 2.811 1.00 44.12 O ATOM 1105 OD2 ASP A 70 -4.726 13.246 1.316 1.00 34.33 O ATOM 0 H ASP A 70 -2.446 13.987 0.222 1.00 71.14 H new ATOM 0 HA ASP A 70 -1.416 12.074 2.096 1.00 74.13 H new ATOM 0 HB2 ASP A 70 -3.330 11.835 -0.261 1.00 34.33 H new ATOM 0 HB3 ASP A 70 -3.030 10.562 0.905 1.00 34.33 H new ATOM 1110 N LEU A 71 -0.292 12.013 -0.967 1.00 24.12 N ATOM 1111 CA LEU A 71 0.789 11.471 -1.794 1.00 52.00 C ATOM 1112 C LEU A 71 2.116 11.598 -1.036 1.00 70.20 C ATOM 1113 O LEU A 71 2.883 10.641 -0.936 1.00 64.13 O ATOM 1114 CB LEU A 71 0.840 12.214 -3.146 1.00 1.43 C ATOM 1115 CG LEU A 71 1.717 11.579 -4.253 1.00 34.21 C ATOM 1116 CD1 LEU A 71 1.350 12.149 -5.622 1.00 11.34 C ATOM 1117 CD2 LEU A 71 3.209 11.790 -3.988 1.00 22.43 C ATOM 0 H LEU A 71 -0.769 12.818 -1.373 1.00 24.12 H new ATOM 0 HA LEU A 71 0.608 10.416 -2.001 1.00 52.00 H new ATOM 0 HB2 LEU A 71 -0.178 12.301 -3.526 1.00 1.43 H new ATOM 0 HB3 LEU A 71 1.200 13.227 -2.965 1.00 1.43 H new ATOM 0 HG LEU A 71 1.521 10.507 -4.244 1.00 34.21 H new ATOM 0 HD11 LEU A 71 1.977 11.691 -6.387 1.00 11.34 H new ATOM 0 HD12 LEU A 71 0.303 11.936 -5.836 1.00 11.34 H new ATOM 0 HD13 LEU A 71 1.508 13.227 -5.621 1.00 11.34 H new ATOM 0 HD21 LEU A 71 3.789 11.329 -4.788 1.00 22.43 H new ATOM 0 HD22 LEU A 71 3.425 12.858 -3.952 1.00 22.43 H new ATOM 0 HD23 LEU A 71 3.478 11.333 -3.035 1.00 22.43 H new ATOM 1129 N ASP A 72 2.364 12.790 -0.492 1.00 31.03 N ATOM 1130 CA ASP A 72 3.534 13.035 0.356 1.00 61.12 C ATOM 1131 C ASP A 72 3.527 12.125 1.598 1.00 34.13 C ATOM 1132 O ASP A 72 4.561 11.574 1.977 1.00 12.32 O ATOM 1133 CB ASP A 72 3.566 14.503 0.785 1.00 72.20 C ATOM 1134 CG ASP A 72 3.668 15.452 -0.396 1.00 1.33 C ATOM 1135 OD1 ASP A 72 2.741 15.472 -1.229 1.00 64.21 O ATOM 1136 OD2 ASP A 72 4.672 16.195 -0.493 1.00 32.54 O ATOM 0 H ASP A 72 1.767 13.606 -0.624 1.00 31.03 H new ATOM 0 HA ASP A 72 4.427 12.805 -0.225 1.00 61.12 H new ATOM 0 HB2 ASP A 72 2.665 14.732 1.354 1.00 72.20 H new ATOM 0 HB3 ASP A 72 4.413 14.665 1.451 1.00 72.20 H new ATOM 1141 N ARG A 73 2.355 11.981 2.231 1.00 24.22 N ATOM 1142 CA ARG A 73 2.191 11.065 3.374 1.00 2.44 C ATOM 1143 C ARG A 73 2.659 9.642 3.022 1.00 3.52 C ATOM 1144 O ARG A 73 3.543 9.088 3.678 1.00 41.33 O ATOM 1145 CB ARG A 73 0.721 11.021 3.834 1.00 73.41 C ATOM 1146 CG ARG A 73 0.262 12.255 4.608 1.00 14.33 C ATOM 1147 CD ARG A 73 -1.234 12.212 4.914 1.00 0.30 C ATOM 1148 NE ARG A 73 -1.670 13.369 5.700 1.00 14.12 N ATOM 1149 CZ ARG A 73 -2.697 14.121 5.404 1.00 60.41 C ATOM 1150 NH1 ARG A 73 -3.429 13.870 4.368 1.00 21.40 N ATOM 1151 NH2 ARG A 73 -3.010 15.115 6.167 1.00 32.51 N ATOM 0 H ARG A 73 1.506 12.485 1.974 1.00 24.22 H new ATOM 0 HA ARG A 73 2.810 11.447 4.186 1.00 2.44 H new ATOM 0 HB2 ARG A 73 0.083 10.899 2.959 1.00 73.41 H new ATOM 0 HB3 ARG A 73 0.576 10.140 4.460 1.00 73.41 H new ATOM 0 HG2 ARG A 73 0.821 12.327 5.541 1.00 14.33 H new ATOM 0 HG3 ARG A 73 0.489 13.151 4.030 1.00 14.33 H new ATOM 0 HD2 ARG A 73 -1.794 12.178 3.979 1.00 0.30 H new ATOM 0 HD3 ARG A 73 -1.466 11.297 5.458 1.00 0.30 H new ATOM 0 HE ARG A 73 -1.135 13.604 6.536 1.00 14.12 H new ATOM 0 HH11 ARG A 73 -3.208 13.075 3.768 1.00 21.40 H new ATOM 0 HH12 ARG A 73 -4.227 14.467 4.151 1.00 21.40 H new ATOM 0 HH21 ARG A 73 -2.456 15.313 7.000 1.00 32.51 H new ATOM 0 HH22 ARG A 73 -3.811 15.702 5.936 1.00 32.51 H new ATOM 1165 N GLN A 74 2.063 9.063 1.979 1.00 11.30 N ATOM 1166 CA GLN A 74 2.382 7.694 1.562 1.00 10.33 C ATOM 1167 C GLN A 74 3.849 7.578 1.121 1.00 61.10 C ATOM 1168 O GLN A 74 4.568 6.669 1.539 1.00 45.32 O ATOM 1169 CB GLN A 74 1.448 7.251 0.422 1.00 31.20 C ATOM 1170 CG GLN A 74 1.439 5.743 0.199 1.00 30.13 C ATOM 1171 CD GLN A 74 0.447 5.290 -0.861 1.00 61.03 C ATOM 1172 OE1 GLN A 74 -0.561 5.939 -1.113 1.00 5.44 O ATOM 1173 NE2 GLN A 74 0.713 4.149 -1.465 1.00 65.42 N ATOM 0 H GLN A 74 1.355 9.521 1.405 1.00 11.30 H new ATOM 0 HA GLN A 74 2.232 7.037 2.419 1.00 10.33 H new ATOM 0 HB2 GLN A 74 0.434 7.584 0.643 1.00 31.20 H new ATOM 0 HB3 GLN A 74 1.753 7.746 -0.500 1.00 31.20 H new ATOM 0 HG2 GLN A 74 2.439 5.421 -0.090 1.00 30.13 H new ATOM 0 HG3 GLN A 74 1.204 5.246 1.140 1.00 30.13 H new ATOM 0 HE21 GLN A 74 1.562 3.634 -1.231 1.00 65.42 H new ATOM 0 HE22 GLN A 74 0.070 3.781 -2.166 1.00 65.42 H new ATOM 1182 N LYS A 75 4.284 8.522 0.289 1.00 43.02 N ATOM 1183 CA LYS A 75 5.658 8.542 -0.221 1.00 44.44 C ATOM 1184 C LYS A 75 6.690 8.607 0.912 1.00 32.51 C ATOM 1185 O LYS A 75 7.508 7.706 1.059 1.00 34.34 O ATOM 1186 CB LYS A 75 5.856 9.731 -1.172 1.00 43.45 C ATOM 1187 CG LYS A 75 7.307 9.940 -1.604 1.00 4.31 C ATOM 1188 CD LYS A 75 7.452 11.095 -2.591 1.00 23.11 C ATOM 1189 CE LYS A 75 8.918 11.403 -2.890 1.00 2.15 C ATOM 1190 NZ LYS A 75 9.650 10.215 -3.406 1.00 61.21 N ATOM 0 H LYS A 75 3.702 9.289 -0.049 1.00 43.02 H new ATOM 0 HA LYS A 75 5.815 7.610 -0.763 1.00 44.44 H new ATOM 0 HB2 LYS A 75 5.241 9.581 -2.059 1.00 43.45 H new ATOM 0 HB3 LYS A 75 5.498 10.638 -0.685 1.00 43.45 H new ATOM 0 HG2 LYS A 75 7.922 10.135 -0.725 1.00 4.31 H new ATOM 0 HG3 LYS A 75 7.684 9.025 -2.060 1.00 4.31 H new ATOM 0 HD2 LYS A 75 6.936 10.848 -3.519 1.00 23.11 H new ATOM 0 HD3 LYS A 75 6.969 11.984 -2.185 1.00 23.11 H new ATOM 0 HE2 LYS A 75 8.976 12.209 -3.622 1.00 2.15 H new ATOM 0 HE3 LYS A 75 9.404 11.761 -1.983 1.00 2.15 H new ATOM 0 HZ1 LYS A 75 10.626 10.484 -3.642 1.00 61.21 H new ATOM 0 HZ2 LYS A 75 9.662 9.472 -2.678 1.00 61.21 H new ATOM 0 HZ3 LYS A 75 9.174 9.857 -4.258 1.00 61.21 H new ATOM 1204 N GLN A 76 6.642 9.668 1.718 1.00 21.33 N ATOM 1205 CA GLN A 76 7.661 9.898 2.751 1.00 11.42 C ATOM 1206 C GLN A 76 7.698 8.779 3.806 1.00 55.04 C ATOM 1207 O GLN A 76 8.736 8.541 4.430 1.00 42.31 O ATOM 1208 CB GLN A 76 7.457 11.271 3.407 1.00 63.13 C ATOM 1209 CG GLN A 76 7.673 12.432 2.436 1.00 41.31 C ATOM 1210 CD GLN A 76 7.600 13.801 3.092 1.00 0.34 C ATOM 1211 OE1 GLN A 76 6.874 14.010 4.059 1.00 31.45 O ATOM 1212 NE2 GLN A 76 8.366 14.742 2.576 1.00 20.41 N ATOM 0 H GLN A 76 5.913 10.381 1.679 1.00 21.33 H new ATOM 0 HA GLN A 76 8.632 9.885 2.255 1.00 11.42 H new ATOM 0 HB2 GLN A 76 6.447 11.327 3.814 1.00 63.13 H new ATOM 0 HB3 GLN A 76 8.145 11.373 4.246 1.00 63.13 H new ATOM 0 HG2 GLN A 76 8.647 12.319 1.960 1.00 41.31 H new ATOM 0 HG3 GLN A 76 6.924 12.377 1.646 1.00 41.31 H new ATOM 0 HE21 GLN A 76 8.958 14.534 1.772 1.00 20.41 H new ATOM 0 HE22 GLN A 76 8.367 15.678 2.981 1.00 20.41 H new ATOM 1221 N LYS A 77 6.576 8.094 4.008 1.00 52.32 N ATOM 1222 CA LYS A 77 6.560 6.885 4.839 1.00 21.23 C ATOM 1223 C LYS A 77 7.424 5.777 4.206 1.00 3.32 C ATOM 1224 O LYS A 77 8.269 5.170 4.867 1.00 71.31 O ATOM 1225 CB LYS A 77 5.118 6.392 5.024 1.00 50.24 C ATOM 1226 CG LYS A 77 4.311 7.168 6.060 1.00 13.15 C ATOM 1227 CD LYS A 77 4.828 6.920 7.473 1.00 61.01 C ATOM 1228 CE LYS A 77 3.928 7.551 8.522 1.00 54.10 C ATOM 1229 NZ LYS A 77 4.374 7.227 9.898 1.00 74.14 N ATOM 0 H LYS A 77 5.671 8.349 3.613 1.00 52.32 H new ATOM 0 HA LYS A 77 6.979 7.131 5.815 1.00 21.23 H new ATOM 0 HB2 LYS A 77 4.603 6.448 4.065 1.00 50.24 H new ATOM 0 HB3 LYS A 77 5.141 5.341 5.313 1.00 50.24 H new ATOM 0 HG2 LYS A 77 4.359 8.234 5.836 1.00 13.15 H new ATOM 0 HG3 LYS A 77 3.263 6.876 5.999 1.00 13.15 H new ATOM 0 HD2 LYS A 77 4.897 5.847 7.652 1.00 61.01 H new ATOM 0 HD3 LYS A 77 5.836 7.325 7.568 1.00 61.01 H new ATOM 0 HE2 LYS A 77 3.918 8.633 8.389 1.00 54.10 H new ATOM 0 HE3 LYS A 77 2.905 7.203 8.380 1.00 54.10 H new ATOM 0 HZ1 LYS A 77 3.556 7.238 10.540 1.00 74.14 H new ATOM 0 HZ2 LYS A 77 4.809 6.282 9.909 1.00 74.14 H new ATOM 0 HZ3 LYS A 77 5.070 7.932 10.212 1.00 74.14 H new ATOM 1243 N LEU A 78 7.209 5.539 2.914 1.00 15.31 N ATOM 1244 CA LEU A 78 7.998 4.568 2.145 1.00 4.02 C ATOM 1245 C LEU A 78 9.485 4.961 2.122 1.00 61.41 C ATOM 1246 O LEU A 78 10.370 4.133 2.371 1.00 2.22 O ATOM 1247 CB LEU A 78 7.442 4.489 0.718 1.00 41.24 C ATOM 1248 CG LEU A 78 5.998 3.972 0.618 1.00 70.21 C ATOM 1249 CD1 LEU A 78 5.391 4.310 -0.738 1.00 51.22 C ATOM 1250 CD2 LEU A 78 5.946 2.468 0.875 1.00 61.33 C ATOM 0 H LEU A 78 6.487 6.010 2.369 1.00 15.31 H new ATOM 0 HA LEU A 78 7.922 3.591 2.622 1.00 4.02 H new ATOM 0 HB2 LEU A 78 7.490 5.481 0.269 1.00 41.24 H new ATOM 0 HB3 LEU A 78 8.088 3.840 0.127 1.00 41.24 H new ATOM 0 HG LEU A 78 5.406 4.471 1.385 1.00 70.21 H new ATOM 0 HD11 LEU A 78 4.369 3.933 -0.783 1.00 51.22 H new ATOM 0 HD12 LEU A 78 5.386 5.391 -0.875 1.00 51.22 H new ATOM 0 HD13 LEU A 78 5.983 3.847 -1.527 1.00 51.22 H new ATOM 0 HD21 LEU A 78 4.915 2.121 0.800 1.00 61.33 H new ATOM 0 HD22 LEU A 78 6.558 1.951 0.135 1.00 61.33 H new ATOM 0 HD23 LEU A 78 6.328 2.256 1.874 1.00 61.33 H new ATOM 1262 N GLU A 79 9.742 6.238 1.833 1.00 72.23 N ATOM 1263 CA GLU A 79 11.096 6.806 1.863 1.00 11.32 C ATOM 1264 C GLU A 79 11.807 6.467 3.183 1.00 64.34 C ATOM 1265 O GLU A 79 13.001 6.163 3.202 1.00 0.40 O ATOM 1266 CB GLU A 79 11.032 8.336 1.705 1.00 44.33 C ATOM 1267 CG GLU A 79 10.344 8.824 0.428 1.00 22.15 C ATOM 1268 CD GLU A 79 11.173 8.623 -0.833 1.00 75.35 C ATOM 1269 OE1 GLU A 79 12.388 8.905 -0.802 1.00 42.43 O ATOM 1270 OE2 GLU A 79 10.600 8.233 -1.870 1.00 4.04 O ATOM 0 H GLU A 79 9.020 6.909 1.571 1.00 72.23 H new ATOM 0 HA GLU A 79 11.659 6.372 1.037 1.00 11.32 H new ATOM 0 HB2 GLU A 79 10.508 8.754 2.565 1.00 44.33 H new ATOM 0 HB3 GLU A 79 12.047 8.732 1.727 1.00 44.33 H new ATOM 0 HG2 GLU A 79 9.395 8.300 0.315 1.00 22.15 H new ATOM 0 HG3 GLU A 79 10.112 9.884 0.534 1.00 22.15 H new ATOM 1277 N ALA A 80 11.057 6.518 4.284 1.00 21.24 N ATOM 1278 CA ALA A 80 11.598 6.238 5.615 1.00 14.42 C ATOM 1279 C ALA A 80 12.096 4.790 5.745 1.00 61.14 C ATOM 1280 O ALA A 80 13.062 4.518 6.461 1.00 72.54 O ATOM 1281 CB ALA A 80 10.550 6.534 6.681 1.00 33.52 C ATOM 0 H ALA A 80 10.064 6.753 4.280 1.00 21.24 H new ATOM 0 HA ALA A 80 12.458 6.891 5.762 1.00 14.42 H new ATOM 0 HB1 ALA A 80 10.964 6.322 7.667 1.00 33.52 H new ATOM 0 HB2 ALA A 80 10.262 7.584 6.626 1.00 33.52 H new ATOM 0 HB3 ALA A 80 9.673 5.908 6.513 1.00 33.52 H new ATOM 1287 N GLU A 81 11.440 3.863 5.051 1.00 31.11 N ATOM 1288 CA GLU A 81 11.827 2.446 5.104 1.00 72.40 C ATOM 1289 C GLU A 81 12.835 2.085 3.998 1.00 13.23 C ATOM 1290 O GLU A 81 13.271 0.936 3.895 1.00 12.11 O ATOM 1291 CB GLU A 81 10.586 1.548 5.002 1.00 20.13 C ATOM 1292 CG GLU A 81 9.503 1.883 6.027 1.00 34.42 C ATOM 1293 CD GLU A 81 8.478 0.771 6.212 1.00 22.05 C ATOM 1294 OE1 GLU A 81 8.090 0.123 5.216 1.00 72.14 O ATOM 1295 OE2 GLU A 81 8.069 0.527 7.369 1.00 74.44 O ATOM 0 H GLU A 81 10.642 4.061 4.447 1.00 31.11 H new ATOM 0 HA GLU A 81 12.314 2.277 6.064 1.00 72.40 H new ATOM 0 HB2 GLU A 81 10.166 1.635 4.000 1.00 20.13 H new ATOM 0 HB3 GLU A 81 10.888 0.509 5.131 1.00 20.13 H new ATOM 0 HG2 GLU A 81 9.975 2.095 6.986 1.00 34.42 H new ATOM 0 HG3 GLU A 81 8.989 2.793 5.717 1.00 34.42 H new ATOM 1302 N GLY A 82 13.203 3.071 3.180 1.00 22.24 N ATOM 1303 CA GLY A 82 14.171 2.848 2.107 1.00 63.32 C ATOM 1304 C GLY A 82 13.519 2.570 0.756 1.00 4.40 C ATOM 1305 O GLY A 82 14.204 2.259 -0.220 1.00 64.01 O ATOM 0 H GLY A 82 12.848 4.025 3.239 1.00 22.24 H new ATOM 0 HA2 GLY A 82 14.814 3.724 2.019 1.00 63.32 H new ATOM 0 HA3 GLY A 82 14.812 2.007 2.374 1.00 63.32 H new ATOM 1309 N ILE A 83 12.196 2.683 0.699 1.00 44.33 N ATOM 1310 CA ILE A 83 11.449 2.456 -0.539 1.00 23.41 C ATOM 1311 C ILE A 83 11.403 3.739 -1.387 1.00 64.11 C ATOM 1312 O ILE A 83 10.642 4.664 -1.104 1.00 71.12 O ATOM 1313 CB ILE A 83 10.015 1.960 -0.229 1.00 61.34 C ATOM 1314 CG1 ILE A 83 10.075 0.716 0.679 1.00 64.35 C ATOM 1315 CG2 ILE A 83 9.255 1.658 -1.523 1.00 44.53 C ATOM 1316 CD1 ILE A 83 8.726 0.239 1.172 1.00 71.20 C ATOM 0 H ILE A 83 11.614 2.932 1.499 1.00 44.33 H new ATOM 0 HA ILE A 83 11.964 1.684 -1.111 1.00 23.41 H new ATOM 0 HB ILE A 83 9.476 2.748 0.297 1.00 61.34 H new ATOM 0 HG12 ILE A 83 10.557 -0.095 0.133 1.00 64.35 H new ATOM 0 HG13 ILE A 83 10.705 0.939 1.540 1.00 64.35 H new ATOM 0 HG21 ILE A 83 8.250 1.311 -1.282 1.00 44.53 H new ATOM 0 HG22 ILE A 83 9.191 2.563 -2.127 1.00 44.53 H new ATOM 0 HG23 ILE A 83 9.782 0.885 -2.082 1.00 44.53 H new ATOM 0 HD11 ILE A 83 8.859 -0.639 1.804 1.00 71.20 H new ATOM 0 HD12 ILE A 83 8.248 1.031 1.748 1.00 71.20 H new ATOM 0 HD13 ILE A 83 8.098 -0.019 0.320 1.00 71.20 H new ATOM 1328 N GLU A 84 12.234 3.779 -2.425 1.00 55.41 N ATOM 1329 CA GLU A 84 12.441 4.991 -3.226 1.00 41.05 C ATOM 1330 C GLU A 84 11.304 5.237 -4.236 1.00 22.45 C ATOM 1331 O GLU A 84 11.158 4.510 -5.224 1.00 73.13 O ATOM 1332 CB GLU A 84 13.785 4.878 -3.952 1.00 54.51 C ATOM 1333 CG GLU A 84 14.970 4.734 -3.002 1.00 41.34 C ATOM 1334 CD GLU A 84 16.275 4.452 -3.724 1.00 4.44 C ATOM 1335 OE1 GLU A 84 16.942 5.413 -4.162 1.00 61.33 O ATOM 1336 OE2 GLU A 84 16.644 3.265 -3.855 1.00 33.52 O ATOM 0 H GLU A 84 12.783 2.978 -2.737 1.00 55.41 H new ATOM 0 HA GLU A 84 12.443 5.847 -2.551 1.00 41.05 H new ATOM 0 HB2 GLU A 84 13.758 4.019 -4.622 1.00 54.51 H new ATOM 0 HB3 GLU A 84 13.931 5.762 -4.573 1.00 54.51 H new ATOM 0 HG2 GLU A 84 15.074 5.648 -2.418 1.00 41.34 H new ATOM 0 HG3 GLU A 84 14.769 3.927 -2.298 1.00 41.34 H new ATOM 1343 N VAL A 85 10.515 6.280 -3.987 1.00 2.24 N ATOM 1344 CA VAL A 85 9.375 6.632 -4.843 1.00 23.14 C ATOM 1345 C VAL A 85 9.733 7.740 -5.855 1.00 73.53 C ATOM 1346 O VAL A 85 10.116 8.848 -5.471 1.00 60.10 O ATOM 1347 CB VAL A 85 8.174 7.107 -3.984 1.00 63.34 C ATOM 1348 CG1 VAL A 85 6.946 7.361 -4.854 1.00 41.33 C ATOM 1349 CG2 VAL A 85 7.865 6.099 -2.874 1.00 63.11 C ATOM 0 H VAL A 85 10.644 6.905 -3.191 1.00 2.24 H new ATOM 0 HA VAL A 85 9.106 5.731 -5.395 1.00 23.14 H new ATOM 0 HB VAL A 85 8.448 8.051 -3.513 1.00 63.34 H new ATOM 0 HG11 VAL A 85 6.118 7.693 -4.227 1.00 41.33 H new ATOM 0 HG12 VAL A 85 7.175 8.131 -5.591 1.00 41.33 H new ATOM 0 HG13 VAL A 85 6.666 6.440 -5.366 1.00 41.33 H new ATOM 0 HG21 VAL A 85 7.019 6.454 -2.285 1.00 63.11 H new ATOM 0 HG22 VAL A 85 7.619 5.134 -3.317 1.00 63.11 H new ATOM 0 HG23 VAL A 85 8.736 5.990 -2.228 1.00 63.11 H new ATOM 1359 N SER A 86 9.586 7.441 -7.145 1.00 2.24 N ATOM 1360 CA SER A 86 9.841 8.421 -8.218 1.00 22.54 C ATOM 1361 C SER A 86 8.951 9.666 -8.089 1.00 62.52 C ATOM 1362 O SER A 86 7.816 9.584 -7.609 1.00 12.03 O ATOM 1363 CB SER A 86 9.623 7.784 -9.597 1.00 52.32 C ATOM 1364 OG SER A 86 9.714 8.755 -10.628 1.00 71.23 O ATOM 0 H SER A 86 9.290 6.524 -7.481 1.00 2.24 H new ATOM 0 HA SER A 86 10.880 8.733 -8.116 1.00 22.54 H new ATOM 0 HB2 SER A 86 10.365 7.003 -9.762 1.00 52.32 H new ATOM 0 HB3 SER A 86 8.644 7.305 -9.629 1.00 52.32 H new ATOM 0 HG SER A 86 9.573 8.324 -11.497 1.00 71.23 H new ATOM 1370 N GLU A 87 9.474 10.802 -8.569 1.00 74.14 N ATOM 1371 CA GLU A 87 8.824 12.122 -8.438 1.00 75.55 C ATOM 1372 C GLU A 87 7.352 12.124 -8.888 1.00 15.21 C ATOM 1373 O GLU A 87 6.503 12.760 -8.262 1.00 62.42 O ATOM 1374 CB GLU A 87 9.603 13.168 -9.251 1.00 33.23 C ATOM 1375 CG GLU A 87 9.731 12.825 -10.737 1.00 74.34 C ATOM 1376 CD GLU A 87 10.413 13.919 -11.544 1.00 74.02 C ATOM 1377 OE1 GLU A 87 11.600 14.208 -11.283 1.00 3.23 O ATOM 1378 OE2 GLU A 87 9.767 14.494 -12.446 1.00 14.05 O ATOM 0 H GLU A 87 10.366 10.836 -9.063 1.00 74.14 H new ATOM 0 HA GLU A 87 8.835 12.369 -7.376 1.00 75.55 H new ATOM 0 HB2 GLU A 87 9.108 14.134 -9.152 1.00 33.23 H new ATOM 0 HB3 GLU A 87 10.601 13.276 -8.825 1.00 33.23 H new ATOM 0 HG2 GLU A 87 10.295 11.898 -10.843 1.00 74.34 H new ATOM 0 HG3 GLU A 87 8.738 12.643 -11.149 1.00 74.34 H new ATOM 1385 N ILE A 88 7.048 11.417 -9.974 1.00 70.34 N ATOM 1386 CA ILE A 88 5.676 11.366 -10.498 1.00 74.32 C ATOM 1387 C ILE A 88 4.805 10.352 -9.729 1.00 2.00 C ATOM 1388 O ILE A 88 3.751 9.927 -10.206 1.00 3.25 O ATOM 1389 CB ILE A 88 5.662 11.072 -12.032 1.00 61.15 C ATOM 1390 CG1 ILE A 88 6.518 9.838 -12.397 1.00 42.43 C ATOM 1391 CG2 ILE A 88 6.143 12.299 -12.808 1.00 31.44 C ATOM 1392 CD1 ILE A 88 5.861 8.506 -12.106 1.00 22.15 C ATOM 0 H ILE A 88 7.725 10.873 -10.509 1.00 70.34 H new ATOM 0 HA ILE A 88 5.238 12.352 -10.344 1.00 74.32 H new ATOM 0 HB ILE A 88 4.633 10.847 -12.312 1.00 61.15 H new ATOM 0 HG12 ILE A 88 6.763 9.883 -13.458 1.00 42.43 H new ATOM 0 HG13 ILE A 88 7.459 9.891 -11.850 1.00 42.43 H new ATOM 0 HG21 ILE A 88 6.129 12.082 -13.876 1.00 31.44 H new ATOM 0 HG22 ILE A 88 5.484 13.142 -12.600 1.00 31.44 H new ATOM 0 HG23 ILE A 88 7.159 12.548 -12.502 1.00 31.44 H new ATOM 0 HD11 ILE A 88 6.534 7.698 -12.394 1.00 22.15 H new ATOM 0 HD12 ILE A 88 5.641 8.434 -11.041 1.00 22.15 H new ATOM 0 HD13 ILE A 88 4.934 8.426 -12.674 1.00 22.15 H new ATOM 1404 N GLY A 89 5.251 9.987 -8.524 1.00 32.12 N ATOM 1405 CA GLY A 89 4.495 9.081 -7.668 1.00 23.33 C ATOM 1406 C GLY A 89 4.553 7.630 -8.123 1.00 23.11 C ATOM 1407 O GLY A 89 3.522 6.971 -8.237 1.00 30.53 O ATOM 0 H GLY A 89 6.132 10.307 -8.123 1.00 32.12 H new ATOM 0 HA2 GLY A 89 4.878 9.150 -6.650 1.00 23.33 H new ATOM 0 HA3 GLY A 89 3.454 9.404 -7.639 1.00 23.33 H new ATOM 1411 N LYS A 90 5.758 7.120 -8.373 1.00 3.14 N ATOM 1412 CA LYS A 90 5.920 5.730 -8.836 1.00 71.12 C ATOM 1413 C LYS A 90 6.873 4.932 -7.940 1.00 34.04 C ATOM 1414 O LYS A 90 7.807 5.480 -7.366 1.00 21.42 O ATOM 1415 CB LYS A 90 6.444 5.692 -10.279 1.00 72.51 C ATOM 1416 CG LYS A 90 6.604 4.275 -10.829 1.00 35.02 C ATOM 1417 CD LYS A 90 7.336 4.250 -12.167 1.00 43.45 C ATOM 1418 CE LYS A 90 7.527 2.821 -12.670 1.00 45.21 C ATOM 1419 NZ LYS A 90 8.207 1.960 -11.661 1.00 1.41 N ATOM 0 H LYS A 90 6.631 7.636 -8.266 1.00 3.14 H new ATOM 0 HA LYS A 90 4.933 5.270 -8.789 1.00 71.12 H new ATOM 0 HB2 LYS A 90 5.760 6.248 -10.921 1.00 72.51 H new ATOM 0 HB3 LYS A 90 7.407 6.201 -10.322 1.00 72.51 H new ATOM 0 HG2 LYS A 90 7.151 3.668 -10.108 1.00 35.02 H new ATOM 0 HG3 LYS A 90 5.620 3.821 -10.948 1.00 35.02 H new ATOM 0 HD2 LYS A 90 6.773 4.824 -12.903 1.00 43.45 H new ATOM 0 HD3 LYS A 90 8.307 4.733 -12.061 1.00 43.45 H new ATOM 0 HE2 LYS A 90 6.557 2.391 -12.918 1.00 45.21 H new ATOM 0 HE3 LYS A 90 8.114 2.835 -13.589 1.00 45.21 H new ATOM 0 HZ1 LYS A 90 8.454 1.047 -12.094 1.00 1.41 H new ATOM 0 HZ2 LYS A 90 9.073 2.431 -11.329 1.00 1.41 H new ATOM 0 HZ3 LYS A 90 7.570 1.800 -10.855 1.00 1.41 H new ATOM 1433 N ILE A 91 6.633 3.628 -7.841 1.00 24.44 N ATOM 1434 CA ILE A 91 7.524 2.716 -7.117 1.00 41.40 C ATOM 1435 C ILE A 91 7.996 1.582 -8.044 1.00 54.03 C ATOM 1436 O ILE A 91 7.315 1.237 -9.012 1.00 12.43 O ATOM 1437 CB ILE A 91 6.813 2.109 -5.877 1.00 34.00 C ATOM 1438 CG1 ILE A 91 6.256 3.227 -4.981 1.00 4.11 C ATOM 1439 CG2 ILE A 91 7.761 1.206 -5.084 1.00 44.31 C ATOM 1440 CD1 ILE A 91 5.538 2.723 -3.748 1.00 53.25 C ATOM 0 H ILE A 91 5.821 3.172 -8.257 1.00 24.44 H new ATOM 0 HA ILE A 91 8.386 3.291 -6.779 1.00 41.40 H new ATOM 0 HB ILE A 91 5.983 1.496 -6.228 1.00 34.00 H new ATOM 0 HG12 ILE A 91 7.076 3.875 -4.672 1.00 4.11 H new ATOM 0 HG13 ILE A 91 5.569 3.839 -5.565 1.00 4.11 H new ATOM 0 HG21 ILE A 91 7.236 0.795 -4.222 1.00 44.31 H new ATOM 0 HG22 ILE A 91 8.105 0.391 -5.721 1.00 44.31 H new ATOM 0 HG23 ILE A 91 8.618 1.788 -4.744 1.00 44.31 H new ATOM 0 HD11 ILE A 91 5.174 3.570 -3.167 1.00 53.25 H new ATOM 0 HD12 ILE A 91 4.696 2.099 -4.047 1.00 53.25 H new ATOM 0 HD13 ILE A 91 6.227 2.136 -3.141 1.00 53.25 H new ATOM 1452 N ALA A 92 9.168 1.021 -7.768 1.00 63.10 N ATOM 1453 CA ALA A 92 9.669 -0.115 -8.545 1.00 13.30 C ATOM 1454 C ALA A 92 9.145 -1.446 -7.982 1.00 62.00 C ATOM 1455 O ALA A 92 9.738 -2.022 -7.069 1.00 53.53 O ATOM 1456 CB ALA A 92 11.196 -0.098 -8.573 1.00 53.43 C ATOM 0 H ALA A 92 9.788 1.329 -7.019 1.00 63.10 H new ATOM 0 HA ALA A 92 9.300 -0.023 -9.567 1.00 13.30 H new ATOM 0 HB1 ALA A 92 11.559 -0.947 -9.153 1.00 53.43 H new ATOM 0 HB2 ALA A 92 11.541 0.829 -9.031 1.00 53.43 H new ATOM 0 HB3 ALA A 92 11.579 -0.164 -7.555 1.00 53.43 H new ATOM 1462 N LEU A 93 8.026 -1.930 -8.525 1.00 32.14 N ATOM 1463 CA LEU A 93 7.401 -3.173 -8.046 1.00 14.40 C ATOM 1464 C LEU A 93 8.351 -4.373 -8.152 1.00 4.45 C ATOM 1465 O LEU A 93 8.604 -5.055 -7.165 1.00 54.14 O ATOM 1466 CB LEU A 93 6.101 -3.457 -8.812 1.00 71.12 C ATOM 1467 CG LEU A 93 4.904 -2.575 -8.417 1.00 51.44 C ATOM 1468 CD1 LEU A 93 3.689 -2.896 -9.285 1.00 13.32 C ATOM 1469 CD2 LEU A 93 4.574 -2.758 -6.935 1.00 52.34 C ATOM 0 H LEU A 93 7.531 -1.483 -9.297 1.00 32.14 H new ATOM 0 HA LEU A 93 7.168 -3.028 -6.991 1.00 14.40 H new ATOM 0 HB2 LEU A 93 6.290 -3.329 -9.878 1.00 71.12 H new ATOM 0 HB3 LEU A 93 5.829 -4.501 -8.660 1.00 71.12 H new ATOM 0 HG LEU A 93 5.173 -1.532 -8.583 1.00 51.44 H new ATOM 0 HD11 LEU A 93 2.853 -2.262 -8.990 1.00 13.32 H new ATOM 0 HD12 LEU A 93 3.931 -2.713 -10.332 1.00 13.32 H new ATOM 0 HD13 LEU A 93 3.414 -3.943 -9.154 1.00 13.32 H new ATOM 0 HD21 LEU A 93 3.725 -2.127 -6.671 1.00 52.34 H new ATOM 0 HD22 LEU A 93 4.324 -3.802 -6.744 1.00 52.34 H new ATOM 0 HD23 LEU A 93 5.437 -2.475 -6.332 1.00 52.34 H new ATOM 1481 N ARG A 94 8.898 -4.612 -9.342 1.00 21.44 N ATOM 1482 CA ARG A 94 9.815 -5.741 -9.560 1.00 1.55 C ATOM 1483 C ARG A 94 11.021 -5.692 -8.589 1.00 45.01 C ATOM 1484 O ARG A 94 11.694 -6.701 -8.352 1.00 3.42 O ATOM 1485 CB ARG A 94 10.285 -5.758 -11.027 1.00 11.32 C ATOM 1486 CG ARG A 94 11.228 -6.909 -11.372 1.00 11.45 C ATOM 1487 CD ARG A 94 11.430 -7.059 -12.879 1.00 21.42 C ATOM 1488 NE ARG A 94 11.987 -5.852 -13.501 1.00 54.21 N ATOM 1489 CZ ARG A 94 12.774 -5.862 -14.550 1.00 42.40 C ATOM 1490 NH1 ARG A 94 13.174 -6.984 -15.065 1.00 41.41 N ATOM 1491 NH2 ARG A 94 13.168 -4.744 -15.073 1.00 11.23 N ATOM 0 H ARG A 94 8.726 -4.044 -10.171 1.00 21.44 H new ATOM 0 HA ARG A 94 9.276 -6.665 -9.352 1.00 1.55 H new ATOM 0 HB2 ARG A 94 9.411 -5.813 -11.676 1.00 11.32 H new ATOM 0 HB3 ARG A 94 10.786 -4.815 -11.247 1.00 11.32 H new ATOM 0 HG2 ARG A 94 12.193 -6.742 -10.893 1.00 11.45 H new ATOM 0 HG3 ARG A 94 10.828 -7.838 -10.967 1.00 11.45 H new ATOM 0 HD2 ARG A 94 12.096 -7.901 -13.070 1.00 21.42 H new ATOM 0 HD3 ARG A 94 10.475 -7.296 -13.347 1.00 21.42 H new ATOM 0 HE ARG A 94 11.747 -4.949 -13.092 1.00 54.21 H new ATOM 0 HH11 ARG A 94 12.876 -7.869 -14.654 1.00 41.41 H new ATOM 0 HH12 ARG A 94 13.786 -6.981 -15.881 1.00 41.41 H new ATOM 0 HH21 ARG A 94 12.866 -3.857 -14.669 1.00 11.23 H new ATOM 0 HH22 ARG A 94 13.780 -4.750 -15.889 1.00 11.23 H new ATOM 1505 N LYS A 95 11.275 -4.515 -8.014 1.00 4.41 N ATOM 1506 CA LYS A 95 12.350 -4.339 -7.032 1.00 53.04 C ATOM 1507 C LYS A 95 11.828 -4.559 -5.595 1.00 0.30 C ATOM 1508 O LYS A 95 12.458 -5.254 -4.797 1.00 31.23 O ATOM 1509 CB LYS A 95 12.952 -2.922 -7.172 1.00 63.00 C ATOM 1510 CG LYS A 95 14.385 -2.764 -6.642 1.00 54.04 C ATOM 1511 CD LYS A 95 14.491 -2.992 -5.134 1.00 54.21 C ATOM 1512 CE LYS A 95 15.925 -2.858 -4.639 1.00 14.50 C ATOM 1513 NZ LYS A 95 16.065 -3.280 -3.219 1.00 25.14 N ATOM 0 H LYS A 95 10.748 -3.664 -8.212 1.00 4.41 H new ATOM 0 HA LYS A 95 13.124 -5.082 -7.225 1.00 53.04 H new ATOM 0 HB2 LYS A 95 12.938 -2.641 -8.225 1.00 63.00 H new ATOM 0 HB3 LYS A 95 12.308 -2.217 -6.646 1.00 63.00 H new ATOM 0 HG2 LYS A 95 15.037 -3.469 -7.157 1.00 54.04 H new ATOM 0 HG3 LYS A 95 14.746 -1.763 -6.879 1.00 54.04 H new ATOM 0 HD2 LYS A 95 13.858 -2.273 -4.613 1.00 54.21 H new ATOM 0 HD3 LYS A 95 14.114 -3.985 -4.890 1.00 54.21 H new ATOM 0 HE2 LYS A 95 16.582 -3.463 -5.264 1.00 14.50 H new ATOM 0 HE3 LYS A 95 16.250 -1.823 -4.743 1.00 14.50 H new ATOM 0 HZ1 LYS A 95 17.056 -3.173 -2.921 1.00 25.14 H new ATOM 0 HZ2 LYS A 95 15.457 -2.686 -2.619 1.00 25.14 H new ATOM 0 HZ3 LYS A 95 15.780 -4.276 -3.123 1.00 25.14 H new ATOM 1527 N TYR A 96 10.669 -3.980 -5.274 1.00 54.22 N ATOM 1528 CA TYR A 96 10.174 -3.949 -3.886 1.00 55.34 C ATOM 1529 C TYR A 96 8.979 -4.888 -3.656 1.00 54.43 C ATOM 1530 O TYR A 96 8.355 -4.836 -2.600 1.00 40.53 O ATOM 1531 CB TYR A 96 9.744 -2.522 -3.509 1.00 31.10 C ATOM 1532 CG TYR A 96 10.852 -1.486 -3.530 1.00 3.33 C ATOM 1533 CD1 TYR A 96 11.747 -1.374 -2.473 1.00 73.53 C ATOM 1534 CD2 TYR A 96 10.983 -0.599 -4.595 1.00 24.10 C ATOM 1535 CE1 TYR A 96 12.739 -0.412 -2.475 1.00 71.44 C ATOM 1536 CE2 TYR A 96 11.976 0.361 -4.607 1.00 11.42 C ATOM 1537 CZ TYR A 96 12.850 0.451 -3.545 1.00 22.42 C ATOM 1538 OH TYR A 96 13.831 1.416 -3.545 1.00 31.02 O ATOM 0 H TYR A 96 10.054 -3.526 -5.950 1.00 54.22 H new ATOM 0 HA TYR A 96 11.000 -4.288 -3.260 1.00 55.34 H new ATOM 0 HB2 TYR A 96 8.958 -2.204 -4.194 1.00 31.10 H new ATOM 0 HB3 TYR A 96 9.307 -2.543 -2.511 1.00 31.10 H new ATOM 0 HD1 TYR A 96 11.666 -2.051 -1.635 1.00 73.53 H new ATOM 0 HD2 TYR A 96 10.296 -0.663 -5.426 1.00 24.10 H new ATOM 0 HE1 TYR A 96 13.424 -0.336 -1.643 1.00 71.44 H new ATOM 0 HE2 TYR A 96 12.067 1.037 -5.444 1.00 11.42 H new ATOM 0 HH TYR A 96 13.927 1.785 -4.448 1.00 31.02 H new ATOM 1548 N LYS A 97 8.669 -5.748 -4.617 1.00 41.21 N ATOM 1549 CA LYS A 97 7.448 -6.559 -4.557 1.00 5.44 C ATOM 1550 C LYS A 97 7.396 -7.450 -3.302 1.00 1.51 C ATOM 1551 O LYS A 97 8.364 -8.137 -2.968 1.00 31.13 O ATOM 1552 CB LYS A 97 7.329 -7.420 -5.814 1.00 13.04 C ATOM 1553 CG LYS A 97 5.947 -8.018 -6.005 1.00 42.02 C ATOM 1554 CD LYS A 97 5.864 -8.815 -7.296 1.00 41.51 C ATOM 1555 CE LYS A 97 4.514 -9.509 -7.451 1.00 23.21 C ATOM 1556 NZ LYS A 97 3.383 -8.540 -7.489 1.00 24.33 N ATOM 0 H LYS A 97 9.240 -5.906 -5.447 1.00 41.21 H new ATOM 0 HA LYS A 97 6.605 -5.870 -4.500 1.00 5.44 H new ATOM 0 HB2 LYS A 97 7.579 -6.815 -6.685 1.00 13.04 H new ATOM 0 HB3 LYS A 97 8.062 -8.225 -5.765 1.00 13.04 H new ATOM 0 HG2 LYS A 97 5.708 -8.664 -5.160 1.00 42.02 H new ATOM 0 HG3 LYS A 97 5.203 -7.222 -6.018 1.00 42.02 H new ATOM 0 HD2 LYS A 97 6.030 -8.151 -8.144 1.00 41.51 H new ATOM 0 HD3 LYS A 97 6.659 -9.560 -7.314 1.00 41.51 H new ATOM 0 HE2 LYS A 97 4.514 -10.100 -8.367 1.00 23.21 H new ATOM 0 HE3 LYS A 97 4.367 -10.203 -6.624 1.00 23.21 H new ATOM 0 HZ1 LYS A 97 2.530 -9.016 -7.844 1.00 24.33 H new ATOM 0 HZ2 LYS A 97 3.204 -8.178 -6.531 1.00 24.33 H new ATOM 0 HZ3 LYS A 97 3.625 -7.748 -8.119 1.00 24.33 H new ATOM 1570 N TRP A 98 6.253 -7.427 -2.618 1.00 61.43 N ATOM 1571 CA TRP A 98 6.056 -8.204 -1.394 1.00 1.31 C ATOM 1572 C TRP A 98 6.257 -9.709 -1.624 1.00 42.24 C ATOM 1573 O TRP A 98 5.415 -10.382 -2.225 1.00 64.32 O ATOM 1574 CB TRP A 98 4.658 -7.941 -0.809 1.00 25.02 C ATOM 1575 CG TRP A 98 4.312 -8.817 0.366 1.00 75.11 C ATOM 1576 CD1 TRP A 98 5.172 -9.333 1.295 1.00 74.00 C ATOM 1577 CD2 TRP A 98 3.008 -9.275 0.737 1.00 50.31 C ATOM 1578 NE1 TRP A 98 4.483 -10.085 2.211 1.00 33.03 N ATOM 1579 CE2 TRP A 98 3.154 -10.061 1.895 1.00 23.51 C ATOM 1580 CE3 TRP A 98 1.728 -9.093 0.207 1.00 33.31 C ATOM 1581 CZ2 TRP A 98 2.074 -10.668 2.525 1.00 33.14 C ATOM 1582 CZ3 TRP A 98 0.656 -9.694 0.837 1.00 13.41 C ATOM 1583 CH2 TRP A 98 0.835 -10.474 1.986 1.00 53.03 C ATOM 0 H TRP A 98 5.442 -6.873 -2.894 1.00 61.43 H new ATOM 0 HA TRP A 98 6.813 -7.877 -0.681 1.00 1.31 H new ATOM 0 HB2 TRP A 98 4.594 -6.897 -0.502 1.00 25.02 H new ATOM 0 HB3 TRP A 98 3.914 -8.089 -1.592 1.00 25.02 H new ATOM 0 HD1 TRP A 98 6.240 -9.172 1.306 1.00 74.00 H new ATOM 0 HE1 TRP A 98 4.896 -10.582 3.000 1.00 33.03 H new ATOM 0 HE3 TRP A 98 1.580 -8.493 -0.679 1.00 33.31 H new ATOM 0 HZ2 TRP A 98 2.210 -11.272 3.410 1.00 33.14 H new ATOM 0 HZ3 TRP A 98 -0.338 -9.560 0.436 1.00 13.41 H new ATOM 0 HH2 TRP A 98 -0.024 -10.931 2.455 1.00 53.03 H new ATOM 1594 N GLN A 99 7.389 -10.216 -1.149 1.00 41.41 N ATOM 1595 CA GLN A 99 7.665 -11.651 -1.126 1.00 53.43 C ATOM 1596 C GLN A 99 7.476 -12.213 0.298 1.00 11.31 C ATOM 1597 O GLN A 99 8.317 -12.009 1.174 1.00 12.05 O ATOM 1598 CB GLN A 99 9.095 -11.917 -1.629 1.00 65.35 C ATOM 1599 CG GLN A 99 9.569 -13.353 -1.438 1.00 63.10 C ATOM 1600 CD GLN A 99 10.924 -13.619 -2.078 1.00 2.02 C ATOM 1601 OE1 GLN A 99 11.747 -12.723 -2.229 1.00 42.02 O ATOM 1602 NE2 GLN A 99 11.175 -14.859 -2.442 1.00 10.32 N ATOM 0 H GLN A 99 8.143 -9.645 -0.768 1.00 41.41 H new ATOM 0 HA GLN A 99 6.962 -12.157 -1.787 1.00 53.43 H new ATOM 0 HB2 GLN A 99 9.147 -11.667 -2.689 1.00 65.35 H new ATOM 0 HB3 GLN A 99 9.781 -11.248 -1.109 1.00 65.35 H new ATOM 0 HG2 GLN A 99 9.627 -13.572 -0.372 1.00 63.10 H new ATOM 0 HG3 GLN A 99 8.832 -14.033 -1.864 1.00 63.10 H new ATOM 0 HE21 GLN A 99 10.471 -15.584 -2.304 1.00 10.32 H new ATOM 0 HE22 GLN A 99 12.074 -15.095 -2.862 1.00 10.32 H new ATOM 1611 N PRO A 100 6.341 -12.889 0.564 1.00 12.30 N ATOM 1612 CA PRO A 100 6.080 -13.508 1.876 1.00 32.00 C ATOM 1613 C PRO A 100 6.914 -14.780 2.114 1.00 3.43 C ATOM 1614 O PRO A 100 7.136 -15.185 3.258 1.00 24.45 O ATOM 1615 CB PRO A 100 4.583 -13.845 1.808 1.00 50.04 C ATOM 1616 CG PRO A 100 4.312 -14.046 0.355 1.00 45.04 C ATOM 1617 CD PRO A 100 5.215 -13.080 -0.373 1.00 40.40 C ATOM 0 HA PRO A 100 6.350 -12.847 2.700 1.00 32.00 H new ATOM 0 HB2 PRO A 100 4.351 -14.742 2.383 1.00 50.04 H new ATOM 0 HB3 PRO A 100 3.975 -13.038 2.217 1.00 50.04 H new ATOM 0 HG2 PRO A 100 4.519 -15.074 0.058 1.00 45.04 H new ATOM 0 HG3 PRO A 100 3.265 -13.852 0.123 1.00 45.04 H new ATOM 0 HD2 PRO A 100 5.551 -13.486 -1.327 1.00 40.40 H new ATOM 0 HD3 PRO A 100 4.707 -12.140 -0.588 1.00 40.40 H new ATOM 1625 N LEU A 101 7.374 -15.402 1.027 1.00 14.14 N ATOM 1626 CA LEU A 101 8.130 -16.659 1.106 1.00 4.10 C ATOM 1627 C LEU A 101 9.510 -16.529 0.434 1.00 43.32 C ATOM 1628 O LEU A 101 9.622 -16.609 -0.792 1.00 41.22 O ATOM 1629 CB LEU A 101 7.328 -17.791 0.442 1.00 11.53 C ATOM 1630 CG LEU A 101 5.950 -18.079 1.063 1.00 22.33 C ATOM 1631 CD1 LEU A 101 5.226 -19.177 0.287 1.00 40.51 C ATOM 1632 CD2 LEU A 101 6.088 -18.461 2.535 1.00 13.30 C ATOM 0 H LEU A 101 7.237 -15.056 0.077 1.00 14.14 H new ATOM 0 HA LEU A 101 8.290 -16.892 2.159 1.00 4.10 H new ATOM 0 HB2 LEU A 101 7.188 -17.545 -0.611 1.00 11.53 H new ATOM 0 HB3 LEU A 101 7.922 -18.704 0.480 1.00 11.53 H new ATOM 0 HG LEU A 101 5.354 -17.168 1.002 1.00 22.33 H new ATOM 0 HD11 LEU A 101 4.254 -19.365 0.743 1.00 40.51 H new ATOM 0 HD12 LEU A 101 5.087 -18.861 -0.747 1.00 40.51 H new ATOM 0 HD13 LEU A 101 5.820 -20.091 0.310 1.00 40.51 H new ATOM 0 HD21 LEU A 101 5.101 -18.660 2.953 1.00 13.30 H new ATOM 0 HD22 LEU A 101 6.706 -19.354 2.623 1.00 13.30 H new ATOM 0 HD23 LEU A 101 6.555 -17.642 3.081 1.00 13.30 H new ATOM 1644 N GLU A 102 10.551 -16.337 1.246 1.00 34.41 N ATOM 1645 CA GLU A 102 11.924 -16.166 0.740 1.00 21.12 C ATOM 1646 C GLU A 102 12.449 -17.448 0.053 1.00 62.23 C ATOM 1647 O GLU A 102 12.870 -18.386 0.769 1.00 37.18 O ATOM 1648 CB GLU A 102 12.864 -15.769 1.893 1.00 10.30 C ATOM 1649 CG GLU A 102 12.500 -14.455 2.583 1.00 5.23 C ATOM 1650 CD GLU A 102 12.702 -13.231 1.697 1.00 51.41 C ATOM 1651 OE1 GLU A 102 13.846 -12.986 1.266 1.00 12.33 O ATOM 1652 OE2 GLU A 102 11.722 -12.493 1.445 1.00 53.44 O ATOM 0 H GLU A 102 10.474 -16.295 2.262 1.00 34.41 H new ATOM 0 HA GLU A 102 11.903 -15.373 -0.008 1.00 21.12 H new ATOM 0 HB2 GLU A 102 12.865 -16.567 2.636 1.00 10.30 H new ATOM 0 HB3 GLU A 102 13.880 -15.693 1.507 1.00 10.30 H new ATOM 0 HG2 GLU A 102 11.458 -14.496 2.901 1.00 5.23 H new ATOM 0 HG3 GLU A 102 13.104 -14.346 3.484 1.00 5.23 H new TER 1659 GLU A 102