USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 795 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 33 SER OG : rot 180:sc= 0.0896 USER MOD Set 1.2: A 36 THR OG1 : rot 75:sc= 0.0935 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= -0.396 (180deg=-0.944) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 154:sc= -0.305 (180deg=-1.27) USER MOD Single : A 9 THR OG1 : rot 20:sc= -1.4 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= -0.723 (180deg=-1.84!) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.592 USER MOD Single : A 19 THR OG1 : rot -139:sc= 1.5 USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= -0.0789 (180deg=-0.355) USER MOD Single : A 21 LYS NZ :NH3+ -148:sc= -0.16 (180deg=-0.843) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -9.26! C(o=-9.3!,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -82:sc= 1.24 USER MOD Single : A 49 ASN : amide:sc= -2.85! K(o=-2.8!,f=-0.29) USER MOD Single : A 54 ASN : amide:sc= -0.162 K(o=-0.16,f=-0.95) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.124) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -7! C(o=-7!,f=-9.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 69:sc= 0.0572 USER MOD Single : A 68 HIS : no HD1:sc= -0.0278 X(o=-0.028,f=-0.19) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 76 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0136) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0877) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0217 X(o=-0.022,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.118 6.067 1.267 1.00 71.22 N ATOM 2 CA MET A 1 2.764 4.866 1.784 1.00 43.12 C ATOM 3 C MET A 1 2.720 3.740 0.756 1.00 33.54 C ATOM 4 O MET A 1 2.503 2.578 1.103 1.00 21.12 O ATOM 5 CB MET A 1 2.090 4.416 3.081 1.00 54.10 C ATOM 6 CG MET A 1 2.119 5.468 4.178 1.00 40.01 C ATOM 7 SD MET A 1 0.522 5.669 4.990 1.00 0.24 S ATOM 8 CE MET A 1 0.872 7.039 6.090 1.00 31.02 C ATOM 0 H1 MET A 1 2.813 6.839 1.213 1.00 71.22 H new ATOM 0 H2 MET A 1 1.739 5.876 0.318 1.00 71.22 H new ATOM 0 H3 MET A 1 1.341 6.344 1.901 1.00 71.22 H new ATOM 0 HA MET A 1 3.807 5.105 1.990 1.00 43.12 H new ATOM 0 HB2 MET A 1 1.054 4.152 2.870 1.00 54.10 H new ATOM 0 HB3 MET A 1 2.582 3.513 3.442 1.00 54.10 H new ATOM 0 HG2 MET A 1 2.868 5.192 4.921 1.00 40.01 H new ATOM 0 HG3 MET A 1 2.429 6.423 3.753 1.00 40.01 H new ATOM 0 HE1 MET A 1 -0.022 7.283 6.663 1.00 31.02 H new ATOM 0 HE2 MET A 1 1.676 6.762 6.772 1.00 31.02 H new ATOM 0 HE3 MET A 1 1.176 7.907 5.505 1.00 31.02 H new ATOM 18 N HIS A 2 2.926 4.090 -0.509 1.00 54.12 N ATOM 19 CA HIS A 2 2.909 3.108 -1.587 1.00 61.51 C ATOM 20 C HIS A 2 4.150 3.243 -2.465 1.00 32.03 C ATOM 21 O HIS A 2 5.032 4.056 -2.189 1.00 14.55 O ATOM 22 CB HIS A 2 1.649 3.272 -2.437 1.00 13.33 C ATOM 23 CG HIS A 2 0.385 3.309 -1.633 1.00 43.30 C ATOM 24 ND1 HIS A 2 -0.496 4.369 -1.665 1.00 1.54 N ATOM 25 CD2 HIS A 2 -0.144 2.407 -0.774 1.00 0.54 C ATOM 26 CE1 HIS A 2 -1.512 4.119 -0.858 1.00 23.10 C ATOM 27 NE2 HIS A 2 -1.323 2.934 -0.305 1.00 45.24 N ATOM 0 H HIS A 2 3.107 5.047 -0.813 1.00 54.12 H new ATOM 0 HA HIS A 2 2.908 2.114 -1.139 1.00 61.51 H new ATOM 0 HB2 HIS A 2 1.729 4.192 -3.016 1.00 13.33 H new ATOM 0 HB3 HIS A 2 1.592 2.450 -3.150 1.00 13.33 H new ATOM 0 HD2 HIS A 2 0.281 1.451 -0.507 1.00 0.54 H new ATOM 0 HE1 HIS A 2 -2.354 4.772 -0.681 1.00 23.10 H new ATOM 0 HE2 HIS A 2 -1.950 2.484 0.362 1.00 45.24 H new ATOM 35 N ASP A 3 4.211 2.441 -3.522 1.00 20.32 N ATOM 36 CA ASP A 3 5.343 2.471 -4.440 1.00 44.22 C ATOM 37 C ASP A 3 5.601 3.890 -4.939 1.00 31.15 C ATOM 38 O ASP A 3 6.747 4.286 -5.149 1.00 44.15 O ATOM 39 CB ASP A 3 5.091 1.539 -5.626 1.00 20.21 C ATOM 40 CG ASP A 3 5.964 0.300 -5.585 1.00 2.15 C ATOM 41 OD1 ASP A 3 7.113 0.368 -6.070 1.00 34.23 O ATOM 42 OD2 ASP A 3 5.499 -0.737 -5.068 1.00 33.43 O ATOM 0 H ASP A 3 3.490 1.762 -3.764 1.00 20.32 H new ATOM 0 HA ASP A 3 6.226 2.128 -3.900 1.00 44.22 H new ATOM 0 HB2 ASP A 3 4.043 1.241 -5.634 1.00 20.21 H new ATOM 0 HB3 ASP A 3 5.276 2.079 -6.554 1.00 20.21 H new ATOM 47 N TYR A 4 4.527 4.649 -5.126 1.00 4.54 N ATOM 48 CA TYR A 4 4.637 6.023 -5.603 1.00 33.13 C ATOM 49 C TYR A 4 5.581 6.833 -4.720 1.00 31.14 C ATOM 50 O TYR A 4 6.228 7.773 -5.182 1.00 61.34 O ATOM 51 CB TYR A 4 3.258 6.685 -5.636 1.00 20.32 C ATOM 52 CG TYR A 4 3.294 8.140 -6.046 1.00 24.40 C ATOM 53 CD1 TYR A 4 3.208 8.507 -7.383 1.00 65.24 C ATOM 54 CD2 TYR A 4 3.416 9.147 -5.097 1.00 33.23 C ATOM 55 CE1 TYR A 4 3.242 9.835 -7.763 1.00 60.30 C ATOM 56 CE2 TYR A 4 3.449 10.477 -5.467 1.00 54.21 C ATOM 57 CZ TYR A 4 3.362 10.816 -6.801 1.00 54.13 C ATOM 58 OH TYR A 4 3.395 12.140 -7.174 1.00 44.24 O ATOM 0 H TYR A 4 3.571 4.337 -4.955 1.00 4.54 H new ATOM 0 HA TYR A 4 5.046 5.998 -6.613 1.00 33.13 H new ATOM 0 HB2 TYR A 4 2.618 6.137 -6.328 1.00 20.32 H new ATOM 0 HB3 TYR A 4 2.802 6.606 -4.649 1.00 20.32 H new ATOM 0 HD1 TYR A 4 3.113 7.741 -8.138 1.00 65.24 H new ATOM 0 HD2 TYR A 4 3.486 8.885 -4.052 1.00 33.23 H new ATOM 0 HE1 TYR A 4 3.175 10.103 -8.807 1.00 60.30 H new ATOM 0 HE2 TYR A 4 3.542 11.247 -4.716 1.00 54.21 H new ATOM 0 HH TYR A 4 3.482 12.703 -6.376 1.00 44.24 H new ATOM 68 N ILE A 5 5.654 6.461 -3.446 1.00 62.11 N ATOM 69 CA ILE A 5 6.520 7.151 -2.498 1.00 21.41 C ATOM 70 C ILE A 5 7.980 7.079 -2.934 1.00 14.31 C ATOM 71 O ILE A 5 8.785 7.946 -2.592 1.00 54.02 O ATOM 72 CB ILE A 5 6.389 6.558 -1.082 1.00 44.43 C ATOM 73 CG1 ILE A 5 6.358 7.677 -0.039 1.00 32.12 C ATOM 74 CG2 ILE A 5 7.535 5.597 -0.802 1.00 42.52 C ATOM 75 CD1 ILE A 5 7.558 8.596 -0.102 1.00 15.03 C ATOM 0 H ILE A 5 5.124 5.686 -3.047 1.00 62.11 H new ATOM 0 HA ILE A 5 6.200 8.193 -2.478 1.00 21.41 H new ATOM 0 HB ILE A 5 5.453 6.003 -1.021 1.00 44.43 H new ATOM 0 HG12 ILE A 5 5.452 8.266 -0.177 1.00 32.12 H new ATOM 0 HG13 ILE A 5 6.302 7.234 0.955 1.00 32.12 H new ATOM 0 HG21 ILE A 5 7.428 5.186 0.202 1.00 42.52 H new ATOM 0 HG22 ILE A 5 7.516 4.786 -1.530 1.00 42.52 H new ATOM 0 HG23 ILE A 5 8.483 6.130 -0.877 1.00 42.52 H new ATOM 0 HD11 ILE A 5 7.468 9.365 0.666 1.00 15.03 H new ATOM 0 HD12 ILE A 5 8.467 8.019 0.067 1.00 15.03 H new ATOM 0 HD13 ILE A 5 7.604 9.067 -1.084 1.00 15.03 H new ATOM 87 N LYS A 6 8.315 6.041 -3.692 1.00 53.15 N ATOM 88 CA LYS A 6 9.677 5.857 -4.179 1.00 74.53 C ATOM 89 C LYS A 6 9.982 6.821 -5.321 1.00 11.33 C ATOM 90 O LYS A 6 11.137 7.179 -5.551 1.00 33.45 O ATOM 91 CB LYS A 6 9.881 4.414 -4.648 1.00 45.21 C ATOM 92 CG LYS A 6 9.576 4.204 -6.121 1.00 11.10 C ATOM 93 CD LYS A 6 10.811 4.409 -6.982 1.00 24.15 C ATOM 94 CE LYS A 6 10.913 3.353 -8.071 1.00 71.33 C ATOM 95 NZ LYS A 6 11.468 2.072 -7.553 1.00 3.15 N ATOM 0 H LYS A 6 7.662 5.314 -3.983 1.00 53.15 H new ATOM 0 HA LYS A 6 10.362 6.067 -3.357 1.00 74.53 H new ATOM 0 HB2 LYS A 6 10.913 4.120 -4.454 1.00 45.21 H new ATOM 0 HB3 LYS A 6 9.245 3.755 -4.056 1.00 45.21 H new ATOM 0 HG2 LYS A 6 9.189 3.197 -6.273 1.00 11.10 H new ATOM 0 HG3 LYS A 6 8.794 4.896 -6.434 1.00 11.10 H new ATOM 0 HD2 LYS A 6 10.779 5.399 -7.436 1.00 24.15 H new ATOM 0 HD3 LYS A 6 11.702 4.374 -6.356 1.00 24.15 H new ATOM 0 HE2 LYS A 6 9.926 3.175 -8.497 1.00 71.33 H new ATOM 0 HE3 LYS A 6 11.546 3.723 -8.877 1.00 71.33 H new ATOM 0 HZ1 LYS A 6 11.132 1.284 -8.143 1.00 3.15 H new ATOM 0 HZ2 LYS A 6 12.507 2.107 -7.582 1.00 3.15 H new ATOM 0 HZ3 LYS A 6 11.154 1.929 -6.572 1.00 3.15 H new ATOM 109 N GLU A 7 8.939 7.240 -6.031 1.00 31.21 N ATOM 110 CA GLU A 7 9.097 8.164 -7.148 1.00 4.04 C ATOM 111 C GLU A 7 9.174 9.606 -6.654 1.00 34.13 C ATOM 112 O GLU A 7 9.736 10.473 -7.322 1.00 52.35 O ATOM 113 CB GLU A 7 7.937 8.012 -8.133 1.00 60.43 C ATOM 114 CG GLU A 7 7.608 6.566 -8.468 1.00 4.42 C ATOM 115 CD GLU A 7 6.779 6.434 -9.730 1.00 61.23 C ATOM 116 OE1 GLU A 7 5.536 6.498 -9.632 1.00 73.30 O ATOM 117 OE2 GLU A 7 7.373 6.266 -10.816 1.00 12.01 O ATOM 0 H GLU A 7 7.976 6.954 -5.853 1.00 31.21 H new ATOM 0 HA GLU A 7 10.030 7.922 -7.657 1.00 4.04 H new ATOM 0 HB2 GLU A 7 7.051 8.490 -7.715 1.00 60.43 H new ATOM 0 HB3 GLU A 7 8.181 8.543 -9.053 1.00 60.43 H new ATOM 0 HG2 GLU A 7 8.535 6.004 -8.586 1.00 4.42 H new ATOM 0 HG3 GLU A 7 7.068 6.118 -7.634 1.00 4.42 H new ATOM 124 N ARG A 8 8.603 9.854 -5.479 1.00 63.22 N ATOM 125 CA ARG A 8 8.605 11.190 -4.896 1.00 74.00 C ATOM 126 C ARG A 8 10.029 11.657 -4.611 1.00 50.53 C ATOM 127 O ARG A 8 10.337 12.846 -4.714 1.00 32.53 O ATOM 128 CB ARG A 8 7.783 11.207 -3.606 1.00 3.25 C ATOM 129 CG ARG A 8 7.222 12.577 -3.259 1.00 22.41 C ATOM 130 CD ARG A 8 5.854 12.793 -3.886 1.00 34.34 C ATOM 131 NE ARG A 8 5.557 14.210 -4.076 1.00 75.11 N ATOM 132 CZ ARG A 8 5.212 15.028 -3.088 1.00 21.12 C ATOM 133 NH1 ARG A 8 5.122 14.572 -1.846 1.00 63.21 N ATOM 134 NH2 ARG A 8 4.957 16.305 -3.341 1.00 1.34 N ATOM 0 H ARG A 8 8.134 9.147 -4.913 1.00 63.22 H new ATOM 0 HA ARG A 8 8.154 11.874 -5.615 1.00 74.00 H new ATOM 0 HB2 ARG A 8 6.959 10.500 -3.701 1.00 3.25 H new ATOM 0 HB3 ARG A 8 8.407 10.860 -2.783 1.00 3.25 H new ATOM 0 HG2 ARG A 8 7.147 12.677 -2.176 1.00 22.41 H new ATOM 0 HG3 ARG A 8 7.908 13.351 -3.604 1.00 22.41 H new ATOM 0 HD2 ARG A 8 5.811 12.281 -4.848 1.00 34.34 H new ATOM 0 HD3 ARG A 8 5.090 12.344 -3.252 1.00 34.34 H new ATOM 0 HE ARG A 8 5.618 14.593 -5.019 1.00 75.11 H new ATOM 0 HH11 ARG A 8 5.318 13.591 -1.647 1.00 63.21 H new ATOM 0 HH12 ARG A 8 4.857 15.202 -1.089 1.00 63.21 H new ATOM 0 HH21 ARG A 8 5.026 16.660 -4.295 1.00 1.34 H new ATOM 0 HH22 ARG A 8 4.692 16.932 -2.582 1.00 1.34 H new ATOM 148 N THR A 9 10.895 10.715 -4.253 1.00 23.14 N ATOM 149 CA THR A 9 12.286 11.030 -3.951 1.00 60.34 C ATOM 150 C THR A 9 13.109 11.160 -5.228 1.00 22.13 C ATOM 151 O THR A 9 14.107 11.880 -5.263 1.00 2.31 O ATOM 152 CB THR A 9 12.923 9.955 -3.051 1.00 31.24 C ATOM 153 OG1 THR A 9 14.307 10.253 -2.836 1.00 30.31 O ATOM 154 CG2 THR A 9 12.787 8.575 -3.676 1.00 61.31 C ATOM 0 H THR A 9 10.658 9.727 -4.165 1.00 23.14 H new ATOM 0 HA THR A 9 12.287 11.983 -3.422 1.00 60.34 H new ATOM 0 HB THR A 9 12.399 9.956 -2.095 1.00 31.24 H new ATOM 0 HG1 THR A 9 14.471 11.201 -3.025 1.00 30.31 H new ATOM 0 HG21 THR A 9 13.244 7.833 -3.022 1.00 61.31 H new ATOM 0 HG22 THR A 9 11.731 8.339 -3.811 1.00 61.31 H new ATOM 0 HG23 THR A 9 13.288 8.563 -4.644 1.00 61.31 H new ATOM 162 N ILE A 10 12.685 10.459 -6.274 1.00 13.40 N ATOM 163 CA ILE A 10 13.383 10.499 -7.553 1.00 75.11 C ATOM 164 C ILE A 10 13.613 11.935 -8.009 1.00 41.54 C ATOM 165 O ILE A 10 14.713 12.297 -8.428 1.00 1.12 O ATOM 166 CB ILE A 10 12.600 9.745 -8.645 1.00 24.44 C ATOM 167 CG1 ILE A 10 12.625 8.239 -8.372 1.00 44.24 C ATOM 168 CG2 ILE A 10 13.180 10.050 -10.018 1.00 33.22 C ATOM 169 CD1 ILE A 10 14.013 7.640 -8.420 1.00 23.55 C ATOM 0 H ILE A 10 11.862 9.857 -6.261 1.00 13.40 H new ATOM 0 HA ILE A 10 14.345 10.009 -7.403 1.00 75.11 H new ATOM 0 HB ILE A 10 11.563 10.081 -8.627 1.00 24.44 H new ATOM 0 HG12 ILE A 10 12.189 8.048 -7.391 1.00 44.24 H new ATOM 0 HG13 ILE A 10 11.995 7.735 -9.104 1.00 44.24 H new ATOM 0 HG21 ILE A 10 12.617 9.510 -10.779 1.00 33.22 H new ATOM 0 HG22 ILE A 10 13.116 11.121 -10.210 1.00 33.22 H new ATOM 0 HG23 ILE A 10 14.224 9.738 -10.050 1.00 33.22 H new ATOM 0 HD11 ILE A 10 13.955 6.571 -8.217 1.00 23.55 H new ATOM 0 HD12 ILE A 10 14.444 7.799 -9.408 1.00 23.55 H new ATOM 0 HD13 ILE A 10 14.642 8.118 -7.669 1.00 23.55 H new ATOM 181 N LYS A 11 12.568 12.752 -7.925 1.00 5.25 N ATOM 182 CA LYS A 11 12.656 14.151 -8.325 1.00 50.44 C ATOM 183 C LYS A 11 13.696 14.892 -7.491 1.00 40.32 C ATOM 184 O LYS A 11 14.451 15.715 -8.011 1.00 71.41 O ATOM 185 CB LYS A 11 11.292 14.831 -8.181 1.00 24.11 C ATOM 186 CG LYS A 11 10.145 14.023 -8.763 1.00 45.11 C ATOM 187 CD LYS A 11 8.837 14.794 -8.710 1.00 42.24 C ATOM 188 CE LYS A 11 7.641 13.858 -8.640 1.00 32.33 C ATOM 189 NZ LYS A 11 6.955 13.734 -9.956 1.00 13.14 N ATOM 0 H LYS A 11 11.650 12.469 -7.583 1.00 5.25 H new ATOM 0 HA LYS A 11 12.964 14.185 -9.370 1.00 50.44 H new ATOM 0 HB2 LYS A 11 11.097 15.015 -7.124 1.00 24.11 H new ATOM 0 HB3 LYS A 11 11.326 15.803 -8.672 1.00 24.11 H new ATOM 0 HG2 LYS A 11 10.372 13.760 -9.796 1.00 45.11 H new ATOM 0 HG3 LYS A 11 10.040 13.089 -8.212 1.00 45.11 H new ATOM 0 HD2 LYS A 11 8.836 15.452 -7.841 1.00 42.24 H new ATOM 0 HD3 LYS A 11 8.752 15.429 -9.592 1.00 42.24 H new ATOM 0 HE2 LYS A 11 7.970 12.873 -8.308 1.00 32.33 H new ATOM 0 HE3 LYS A 11 6.935 14.226 -7.896 1.00 32.33 H new ATOM 0 HZ1 LYS A 11 6.145 13.087 -9.866 1.00 13.14 H new ATOM 0 HZ2 LYS A 11 6.619 14.669 -10.262 1.00 13.14 H new ATOM 0 HZ3 LYS A 11 7.621 13.358 -10.661 1.00 13.14 H new ATOM 203 N ILE A 12 13.731 14.595 -6.197 1.00 34.13 N ATOM 204 CA ILE A 12 14.680 15.231 -5.292 1.00 41.42 C ATOM 205 C ILE A 12 16.113 14.832 -5.630 1.00 13.55 C ATOM 206 O ILE A 12 16.959 15.685 -5.895 1.00 24.41 O ATOM 207 CB ILE A 12 14.390 14.867 -3.824 1.00 51.42 C ATOM 208 CG1 ILE A 12 12.944 15.218 -3.465 1.00 64.22 C ATOM 209 CG2 ILE A 12 15.360 15.586 -2.899 1.00 24.24 C ATOM 210 CD1 ILE A 12 12.579 14.883 -2.036 1.00 54.11 C ATOM 0 H ILE A 12 13.113 13.917 -5.751 1.00 34.13 H new ATOM 0 HA ILE A 12 14.565 16.307 -5.420 1.00 41.42 H new ATOM 0 HB ILE A 12 14.526 13.793 -3.697 1.00 51.42 H new ATOM 0 HG12 ILE A 12 12.785 16.283 -3.632 1.00 64.22 H new ATOM 0 HG13 ILE A 12 12.271 14.686 -4.138 1.00 64.22 H new ATOM 0 HG21 ILE A 12 15.142 15.319 -1.865 1.00 24.24 H new ATOM 0 HG22 ILE A 12 16.381 15.292 -3.143 1.00 24.24 H new ATOM 0 HG23 ILE A 12 15.253 16.663 -3.026 1.00 24.24 H new ATOM 0 HD11 ILE A 12 11.541 15.158 -1.852 1.00 54.11 H new ATOM 0 HD12 ILE A 12 12.706 13.813 -1.869 1.00 54.11 H new ATOM 0 HD13 ILE A 12 13.227 15.436 -1.356 1.00 54.11 H new ATOM 222 N GLY A 13 16.377 13.529 -5.619 1.00 13.31 N ATOM 223 CA GLY A 13 17.708 13.039 -5.927 1.00 14.50 C ATOM 224 C GLY A 13 18.199 13.510 -7.282 1.00 24.35 C ATOM 225 O GLY A 13 19.401 13.683 -7.489 1.00 34.50 O ATOM 0 H GLY A 13 15.693 12.804 -5.402 1.00 13.31 H new ATOM 0 HA2 GLY A 13 18.402 13.373 -5.156 1.00 14.50 H new ATOM 0 HA3 GLY A 13 17.705 11.949 -5.903 1.00 14.50 H new ATOM 229 N LYS A 14 17.269 13.716 -8.208 1.00 4.23 N ATOM 230 CA LYS A 14 17.613 14.169 -9.550 1.00 63.24 C ATOM 231 C LYS A 14 17.718 15.690 -9.602 1.00 31.31 C ATOM 232 O LYS A 14 18.404 16.246 -10.460 1.00 20.32 O ATOM 233 CB LYS A 14 16.568 13.685 -10.558 1.00 33.54 C ATOM 234 CG LYS A 14 16.502 12.173 -10.686 1.00 72.43 C ATOM 235 CD LYS A 14 16.982 11.708 -12.051 1.00 31.41 C ATOM 236 CE LYS A 14 16.503 10.297 -12.359 1.00 43.24 C ATOM 237 NZ LYS A 14 17.609 9.432 -12.855 1.00 44.24 N ATOM 0 H LYS A 14 16.271 13.576 -8.053 1.00 4.23 H new ATOM 0 HA LYS A 14 18.583 13.747 -9.810 1.00 63.24 H new ATOM 0 HB2 LYS A 14 15.588 14.059 -10.261 1.00 33.54 H new ATOM 0 HB3 LYS A 14 16.791 14.115 -11.535 1.00 33.54 H new ATOM 0 HG2 LYS A 14 17.113 11.714 -9.909 1.00 72.43 H new ATOM 0 HG3 LYS A 14 15.477 11.838 -10.526 1.00 72.43 H new ATOM 0 HD2 LYS A 14 16.619 12.392 -12.818 1.00 31.41 H new ATOM 0 HD3 LYS A 14 18.071 11.739 -12.085 1.00 31.41 H new ATOM 0 HE2 LYS A 14 16.072 9.856 -11.461 1.00 43.24 H new ATOM 0 HE3 LYS A 14 15.710 10.337 -13.106 1.00 43.24 H new ATOM 0 HZ1 LYS A 14 17.410 8.441 -12.612 1.00 44.24 H new ATOM 0 HZ2 LYS A 14 17.687 9.526 -13.888 1.00 44.24 H new ATOM 0 HZ3 LYS A 14 18.504 9.724 -12.412 1.00 44.24 H new ATOM 251 N TYR A 15 17.035 16.356 -8.678 1.00 50.51 N ATOM 252 CA TYR A 15 17.051 17.813 -8.619 1.00 53.31 C ATOM 253 C TYR A 15 18.301 18.316 -7.905 1.00 3.14 C ATOM 254 O TYR A 15 18.934 19.278 -8.341 1.00 3.12 O ATOM 255 CB TYR A 15 15.800 18.329 -7.906 1.00 11.25 C ATOM 256 CG TYR A 15 15.666 19.835 -7.931 1.00 51.02 C ATOM 257 CD1 TYR A 15 16.354 20.629 -7.022 1.00 65.20 C ATOM 258 CD2 TYR A 15 14.850 20.464 -8.864 1.00 3.04 C ATOM 259 CE1 TYR A 15 16.235 22.005 -7.041 1.00 53.01 C ATOM 260 CE2 TYR A 15 14.726 21.839 -8.891 1.00 54.50 C ATOM 261 CZ TYR A 15 15.420 22.606 -7.978 1.00 35.43 C ATOM 262 OH TYR A 15 15.297 23.976 -8.001 1.00 31.01 O ATOM 0 H TYR A 15 16.464 15.911 -7.960 1.00 50.51 H new ATOM 0 HA TYR A 15 17.061 18.192 -9.641 1.00 53.31 H new ATOM 0 HB2 TYR A 15 14.919 17.887 -8.371 1.00 11.25 H new ATOM 0 HB3 TYR A 15 15.817 17.991 -6.870 1.00 11.25 H new ATOM 0 HD1 TYR A 15 16.993 20.162 -6.287 1.00 65.20 H new ATOM 0 HD2 TYR A 15 14.304 19.867 -9.580 1.00 3.04 H new ATOM 0 HE1 TYR A 15 16.777 22.607 -6.326 1.00 53.01 H new ATOM 0 HE2 TYR A 15 14.089 22.312 -9.623 1.00 54.50 H new ATOM 0 HH TYR A 15 14.686 24.238 -8.722 1.00 31.01 H new ATOM 272 N ILE A 16 18.651 17.658 -6.805 1.00 23.22 N ATOM 273 CA ILE A 16 19.827 18.036 -6.030 1.00 72.02 C ATOM 274 C ILE A 16 21.059 18.149 -6.921 1.00 41.42 C ATOM 275 O ILE A 16 21.919 19.003 -6.704 1.00 41.11 O ATOM 276 CB ILE A 16 20.111 17.021 -4.907 1.00 10.41 C ATOM 277 CG1 ILE A 16 20.570 15.687 -5.499 1.00 1.31 C ATOM 278 CG2 ILE A 16 18.873 16.826 -4.044 1.00 4.21 C ATOM 279 CD1 ILE A 16 22.072 15.574 -5.640 1.00 71.12 C ATOM 0 H ILE A 16 18.137 16.861 -6.430 1.00 23.22 H new ATOM 0 HA ILE A 16 19.613 19.008 -5.585 1.00 72.02 H new ATOM 0 HB ILE A 16 20.911 17.412 -4.278 1.00 10.41 H new ATOM 0 HG12 ILE A 16 20.210 14.875 -4.867 1.00 1.31 H new ATOM 0 HG13 ILE A 16 20.110 15.556 -6.479 1.00 1.31 H new ATOM 0 HG21 ILE A 16 19.089 16.106 -3.255 1.00 4.21 H new ATOM 0 HG22 ILE A 16 18.587 17.778 -3.598 1.00 4.21 H new ATOM 0 HG23 ILE A 16 18.055 16.454 -4.660 1.00 4.21 H new ATOM 0 HD11 ILE A 16 22.325 14.603 -6.066 1.00 71.12 H new ATOM 0 HD12 ILE A 16 22.436 16.364 -6.296 1.00 71.12 H new ATOM 0 HD13 ILE A 16 22.538 15.673 -4.660 1.00 71.12 H new ATOM 291 N VAL A 17 21.137 17.283 -7.927 1.00 5.43 N ATOM 292 CA VAL A 17 22.263 17.288 -8.853 1.00 70.25 C ATOM 293 C VAL A 17 22.026 18.263 -10.001 1.00 2.21 C ATOM 294 O VAL A 17 22.971 18.809 -10.569 1.00 5.22 O ATOM 295 CB VAL A 17 22.519 15.884 -9.432 1.00 72.44 C ATOM 296 CG1 VAL A 17 21.382 15.471 -10.354 1.00 75.51 C ATOM 297 CG2 VAL A 17 23.851 15.845 -10.165 1.00 62.35 C ATOM 0 H VAL A 17 20.434 16.570 -8.121 1.00 5.43 H new ATOM 0 HA VAL A 17 23.138 17.605 -8.286 1.00 70.25 H new ATOM 0 HB VAL A 17 22.563 15.173 -8.607 1.00 72.44 H new ATOM 0 HG11 VAL A 17 21.581 14.476 -10.754 1.00 75.51 H new ATOM 0 HG12 VAL A 17 20.447 15.457 -9.795 1.00 75.51 H new ATOM 0 HG13 VAL A 17 21.303 16.183 -11.176 1.00 75.51 H new ATOM 0 HG21 VAL A 17 24.016 14.846 -10.568 1.00 62.35 H new ATOM 0 HG22 VAL A 17 23.838 16.567 -10.981 1.00 62.35 H new ATOM 0 HG23 VAL A 17 24.655 16.094 -9.472 1.00 62.35 H new ATOM 307 N GLU A 18 20.758 18.478 -10.336 1.00 72.52 N ATOM 308 CA GLU A 18 20.397 19.388 -11.417 1.00 23.50 C ATOM 309 C GLU A 18 20.635 20.839 -11.009 1.00 22.54 C ATOM 310 O GLU A 18 20.861 21.705 -11.854 1.00 53.11 O ATOM 311 CB GLU A 18 18.932 19.191 -11.812 1.00 21.03 C ATOM 312 CG GLU A 18 18.745 18.738 -13.250 1.00 33.32 C ATOM 313 CD GLU A 18 17.541 17.832 -13.424 1.00 12.31 C ATOM 314 OE1 GLU A 18 16.419 18.267 -13.089 1.00 51.33 O ATOM 315 OE2 GLU A 18 17.720 16.690 -13.894 1.00 61.41 O ATOM 0 H GLU A 18 19.964 18.035 -9.875 1.00 72.52 H new ATOM 0 HA GLU A 18 21.030 19.161 -12.275 1.00 23.50 H new ATOM 0 HB2 GLU A 18 18.481 18.455 -11.147 1.00 21.03 H new ATOM 0 HB3 GLU A 18 18.395 20.128 -11.662 1.00 21.03 H new ATOM 0 HG2 GLU A 18 18.633 19.613 -13.891 1.00 33.32 H new ATOM 0 HG3 GLU A 18 19.641 18.213 -13.581 1.00 33.32 H new ATOM 322 N THR A 19 20.583 21.097 -9.706 1.00 34.35 N ATOM 323 CA THR A 19 20.790 22.442 -9.184 1.00 22.41 C ATOM 324 C THR A 19 22.037 22.506 -8.309 1.00 71.40 C ATOM 325 O THR A 19 22.569 23.584 -8.046 1.00 43.34 O ATOM 326 CB THR A 19 19.577 22.920 -8.364 1.00 72.14 C ATOM 327 OG1 THR A 19 19.344 22.029 -7.268 1.00 22.31 O ATOM 328 CG2 THR A 19 18.332 22.996 -9.235 1.00 52.42 C ATOM 0 H THR A 19 20.399 20.392 -8.993 1.00 34.35 H new ATOM 0 HA THR A 19 20.919 23.098 -10.045 1.00 22.41 H new ATOM 0 HB THR A 19 19.796 23.917 -7.981 1.00 72.14 H new ATOM 0 HG1 THR A 19 18.380 21.888 -7.160 1.00 22.31 H new ATOM 0 HG21 THR A 19 17.488 23.336 -8.635 1.00 52.42 H new ATOM 0 HG22 THR A 19 18.502 23.697 -10.052 1.00 52.42 H new ATOM 0 HG23 THR A 19 18.113 22.009 -9.643 1.00 52.42 H new ATOM 336 N LYS A 20 22.499 21.344 -7.860 1.00 64.33 N ATOM 337 CA LYS A 20 23.686 21.266 -7.016 1.00 53.40 C ATOM 338 C LYS A 20 23.488 22.056 -5.726 1.00 51.42 C ATOM 339 O LYS A 20 24.453 22.500 -5.103 1.00 72.41 O ATOM 340 CB LYS A 20 24.908 21.796 -7.769 1.00 1.52 C ATOM 341 CG LYS A 20 25.073 21.201 -9.156 1.00 42.14 C ATOM 342 CD LYS A 20 25.310 19.701 -9.095 1.00 43.51 C ATOM 343 CE LYS A 20 26.584 19.369 -8.334 1.00 4.33 C ATOM 344 NZ LYS A 20 27.757 20.122 -8.859 1.00 51.22 N ATOM 0 H LYS A 20 22.069 20.442 -8.067 1.00 64.33 H new ATOM 0 HA LYS A 20 23.851 20.220 -6.759 1.00 53.40 H new ATOM 0 HB2 LYS A 20 24.829 22.880 -7.855 1.00 1.52 H new ATOM 0 HB3 LYS A 20 25.804 21.587 -7.184 1.00 1.52 H new ATOM 0 HG2 LYS A 20 24.182 21.406 -9.749 1.00 42.14 H new ATOM 0 HG3 LYS A 20 25.910 21.682 -9.662 1.00 42.14 H new ATOM 0 HD2 LYS A 20 24.461 19.217 -8.613 1.00 43.51 H new ATOM 0 HD3 LYS A 20 25.374 19.300 -10.107 1.00 43.51 H new ATOM 0 HE2 LYS A 20 26.447 19.601 -7.278 1.00 4.33 H new ATOM 0 HE3 LYS A 20 26.779 18.299 -8.403 1.00 4.33 H new ATOM 0 HZ1 LYS A 20 28.632 19.715 -8.472 1.00 51.22 H new ATOM 0 HZ2 LYS A 20 27.774 20.058 -9.897 1.00 51.22 H new ATOM 0 HZ3 LYS A 20 27.685 21.120 -8.575 1.00 51.22 H new ATOM 358 N LYS A 21 22.231 22.228 -5.330 1.00 4.12 N ATOM 359 CA LYS A 21 21.906 22.962 -4.113 1.00 1.04 C ATOM 360 C LYS A 21 21.919 22.037 -2.900 1.00 13.02 C ATOM 361 O LYS A 21 22.271 20.862 -3.005 1.00 63.33 O ATOM 362 CB LYS A 21 20.535 23.628 -4.245 1.00 53.01 C ATOM 363 CG LYS A 21 20.601 25.142 -4.351 1.00 64.34 C ATOM 364 CD LYS A 21 19.923 25.642 -5.616 1.00 2.55 C ATOM 365 CE LYS A 21 20.939 26.136 -6.635 1.00 14.13 C ATOM 366 NZ LYS A 21 21.781 27.237 -6.090 1.00 60.40 N ATOM 0 H LYS A 21 21.421 21.869 -5.835 1.00 4.12 H new ATOM 0 HA LYS A 21 22.664 23.732 -3.969 1.00 1.04 H new ATOM 0 HB2 LYS A 21 20.032 23.232 -5.127 1.00 53.01 H new ATOM 0 HB3 LYS A 21 19.925 23.359 -3.382 1.00 53.01 H new ATOM 0 HG2 LYS A 21 20.123 25.590 -3.480 1.00 64.34 H new ATOM 0 HG3 LYS A 21 21.643 25.463 -4.344 1.00 64.34 H new ATOM 0 HD2 LYS A 21 19.329 24.840 -6.053 1.00 2.55 H new ATOM 0 HD3 LYS A 21 19.234 26.449 -5.366 1.00 2.55 H new ATOM 0 HE2 LYS A 21 21.578 25.308 -6.942 1.00 14.13 H new ATOM 0 HE3 LYS A 21 20.419 26.484 -7.527 1.00 14.13 H new ATOM 0 HZ1 LYS A 21 22.043 27.887 -6.859 1.00 60.40 H new ATOM 0 HZ2 LYS A 21 21.246 27.756 -5.365 1.00 60.40 H new ATOM 0 HZ3 LYS A 21 22.642 26.838 -5.665 1.00 60.40 H new ATOM 380 N THR A 22 21.530 22.574 -1.747 1.00 43.13 N ATOM 381 CA THR A 22 21.497 21.797 -0.515 1.00 15.02 C ATOM 382 C THR A 22 20.090 21.287 -0.225 1.00 34.11 C ATOM 383 O THR A 22 19.107 21.815 -0.746 1.00 62.54 O ATOM 384 CB THR A 22 21.987 22.627 0.686 1.00 0.23 C ATOM 385 OG1 THR A 22 20.980 23.569 1.075 1.00 65.31 O ATOM 386 CG2 THR A 22 23.273 23.364 0.346 1.00 45.24 C ATOM 0 H THR A 22 21.234 23.544 -1.642 1.00 43.13 H new ATOM 0 HA THR A 22 22.166 20.949 -0.658 1.00 15.02 H new ATOM 0 HB THR A 22 22.185 21.945 1.513 1.00 0.23 H new ATOM 0 HG1 THR A 22 21.299 24.091 1.840 1.00 65.31 H new ATOM 0 HG21 THR A 22 23.600 23.943 1.210 1.00 45.24 H new ATOM 0 HG22 THR A 22 24.046 22.643 0.079 1.00 45.24 H new ATOM 0 HG23 THR A 22 23.097 24.035 -0.495 1.00 45.24 H new ATOM 394 N VAL A 23 19.999 20.257 0.611 1.00 10.31 N ATOM 395 CA VAL A 23 18.711 19.677 0.972 1.00 22.22 C ATOM 396 C VAL A 23 17.742 20.749 1.458 1.00 21.31 C ATOM 397 O VAL A 23 16.527 20.612 1.315 1.00 11.13 O ATOM 398 CB VAL A 23 18.866 18.605 2.068 1.00 51.41 C ATOM 399 CG1 VAL A 23 19.413 17.314 1.479 1.00 42.21 C ATOM 400 CG2 VAL A 23 19.763 19.113 3.186 1.00 3.42 C ATOM 0 H VAL A 23 20.802 19.807 1.051 1.00 10.31 H new ATOM 0 HA VAL A 23 18.310 19.211 0.072 1.00 22.22 H new ATOM 0 HB VAL A 23 17.883 18.396 2.489 1.00 51.41 H new ATOM 0 HG11 VAL A 23 19.516 16.569 2.268 1.00 42.21 H new ATOM 0 HG12 VAL A 23 18.728 16.943 0.716 1.00 42.21 H new ATOM 0 HG13 VAL A 23 20.388 17.503 1.030 1.00 42.21 H new ATOM 0 HG21 VAL A 23 19.862 18.343 3.952 1.00 3.42 H new ATOM 0 HG22 VAL A 23 20.747 19.352 2.783 1.00 3.42 H new ATOM 0 HG23 VAL A 23 19.324 20.008 3.626 1.00 3.42 H new ATOM 410 N ARG A 24 18.288 21.816 2.032 1.00 31.34 N ATOM 411 CA ARG A 24 17.472 22.912 2.540 1.00 35.44 C ATOM 412 C ARG A 24 16.807 23.670 1.396 1.00 40.55 C ATOM 413 O ARG A 24 15.672 24.131 1.518 1.00 31.01 O ATOM 414 CB ARG A 24 18.326 23.869 3.373 1.00 42.01 C ATOM 415 CG ARG A 24 17.600 25.143 3.773 1.00 73.12 C ATOM 416 CD ARG A 24 17.890 26.278 2.803 1.00 60.41 C ATOM 417 NE ARG A 24 16.842 27.294 2.820 1.00 13.23 N ATOM 418 CZ ARG A 24 16.735 28.223 3.764 1.00 53.45 C ATOM 419 NH1 ARG A 24 17.608 28.264 4.761 1.00 53.35 N ATOM 420 NH2 ARG A 24 15.753 29.115 3.710 1.00 30.43 N ATOM 0 H ARG A 24 19.292 21.945 2.157 1.00 31.34 H new ATOM 0 HA ARG A 24 16.693 22.488 3.173 1.00 35.44 H new ATOM 0 HB2 ARG A 24 18.661 23.354 4.273 1.00 42.01 H new ATOM 0 HB3 ARG A 24 19.219 24.133 2.806 1.00 42.01 H new ATOM 0 HG2 ARG A 24 16.527 24.956 3.806 1.00 73.12 H new ATOM 0 HG3 ARG A 24 17.903 25.436 4.778 1.00 73.12 H new ATOM 0 HD2 ARG A 24 18.845 26.738 3.058 1.00 60.41 H new ATOM 0 HD3 ARG A 24 17.989 25.876 1.795 1.00 60.41 H new ATOM 0 HE ARG A 24 16.155 27.291 2.066 1.00 13.23 H new ATOM 0 HH11 ARG A 24 18.364 27.581 4.805 1.00 53.35 H new ATOM 0 HH12 ARG A 24 17.523 28.978 5.484 1.00 53.35 H new ATOM 0 HH21 ARG A 24 15.080 29.087 2.944 1.00 30.43 H new ATOM 0 HH22 ARG A 24 15.671 29.828 4.435 1.00 30.43 H new ATOM 434 N VAL A 25 17.523 23.797 0.282 1.00 15.44 N ATOM 435 CA VAL A 25 17.003 24.500 -0.885 1.00 34.23 C ATOM 436 C VAL A 25 16.178 23.567 -1.765 1.00 12.52 C ATOM 437 O VAL A 25 15.266 24.006 -2.467 1.00 31.33 O ATOM 438 CB VAL A 25 18.140 25.109 -1.726 1.00 10.22 C ATOM 439 CG1 VAL A 25 17.580 25.806 -2.956 1.00 71.14 C ATOM 440 CG2 VAL A 25 18.965 26.073 -0.887 1.00 21.05 C ATOM 0 H VAL A 25 18.464 23.422 0.164 1.00 15.44 H new ATOM 0 HA VAL A 25 16.366 25.303 -0.514 1.00 34.23 H new ATOM 0 HB VAL A 25 18.793 24.303 -2.060 1.00 10.22 H new ATOM 0 HG11 VAL A 25 18.398 26.230 -3.538 1.00 71.14 H new ATOM 0 HG12 VAL A 25 17.036 25.085 -3.567 1.00 71.14 H new ATOM 0 HG13 VAL A 25 16.904 26.603 -2.646 1.00 71.14 H new ATOM 0 HG21 VAL A 25 19.764 26.494 -1.497 1.00 21.05 H new ATOM 0 HG22 VAL A 25 18.325 26.876 -0.522 1.00 21.05 H new ATOM 0 HG23 VAL A 25 19.397 25.540 -0.040 1.00 21.05 H new ATOM 450 N ILE A 26 16.504 22.280 -1.722 1.00 11.10 N ATOM 451 CA ILE A 26 15.792 21.285 -2.515 1.00 11.54 C ATOM 452 C ILE A 26 14.491 20.871 -1.836 1.00 74.13 C ATOM 453 O ILE A 26 13.514 20.527 -2.502 1.00 1.14 O ATOM 454 CB ILE A 26 16.655 20.033 -2.753 1.00 61.41 C ATOM 455 CG1 ILE A 26 17.924 20.400 -3.524 1.00 45.32 C ATOM 456 CG2 ILE A 26 15.859 18.976 -3.505 1.00 43.32 C ATOM 457 CD1 ILE A 26 19.192 19.874 -2.888 1.00 11.32 C ATOM 0 H ILE A 26 17.256 21.901 -1.147 1.00 11.10 H new ATOM 0 HA ILE A 26 15.567 21.748 -3.476 1.00 11.54 H new ATOM 0 HB ILE A 26 16.946 19.622 -1.786 1.00 61.41 H new ATOM 0 HG12 ILE A 26 17.848 20.010 -4.539 1.00 45.32 H new ATOM 0 HG13 ILE A 26 17.990 21.485 -3.603 1.00 45.32 H new ATOM 0 HG21 ILE A 26 16.483 18.097 -3.666 1.00 43.32 H new ATOM 0 HG22 ILE A 26 14.982 18.697 -2.921 1.00 43.32 H new ATOM 0 HG23 ILE A 26 15.541 19.376 -4.468 1.00 43.32 H new ATOM 0 HD11 ILE A 26 20.051 20.172 -3.489 1.00 11.32 H new ATOM 0 HD12 ILE A 26 19.292 20.284 -1.883 1.00 11.32 H new ATOM 0 HD13 ILE A 26 19.148 18.786 -2.834 1.00 11.32 H new ATOM 469 N ALA A 27 14.484 20.908 -0.508 1.00 24.42 N ATOM 470 CA ALA A 27 13.302 20.540 0.261 1.00 20.41 C ATOM 471 C ALA A 27 12.221 21.610 0.152 1.00 60.54 C ATOM 472 O ALA A 27 11.066 21.311 -0.152 1.00 14.14 O ATOM 473 CB ALA A 27 13.672 20.307 1.719 1.00 54.04 C ATOM 0 H ALA A 27 15.284 21.189 0.058 1.00 24.42 H new ATOM 0 HA ALA A 27 12.903 19.614 -0.154 1.00 20.41 H new ATOM 0 HB1 ALA A 27 12.780 20.033 2.282 1.00 54.04 H new ATOM 0 HB2 ALA A 27 14.404 19.502 1.784 1.00 54.04 H new ATOM 0 HB3 ALA A 27 14.098 21.219 2.137 1.00 54.04 H new ATOM 479 N LYS A 28 12.603 22.857 0.401 1.00 11.41 N ATOM 480 CA LYS A 28 11.667 23.973 0.330 1.00 11.24 C ATOM 481 C LYS A 28 10.923 23.975 -1.001 1.00 14.40 C ATOM 482 O LYS A 28 9.779 24.423 -1.082 1.00 22.33 O ATOM 483 CB LYS A 28 12.408 25.300 0.515 1.00 74.40 C ATOM 484 CG LYS A 28 13.574 25.483 -0.441 1.00 14.21 C ATOM 485 CD LYS A 28 13.122 26.081 -1.763 1.00 21.11 C ATOM 486 CE LYS A 28 13.584 27.523 -1.909 1.00 74.12 C ATOM 487 NZ LYS A 28 12.553 28.371 -2.570 1.00 62.43 N ATOM 0 H LYS A 28 13.555 23.121 0.654 1.00 11.41 H new ATOM 0 HA LYS A 28 10.939 23.856 1.133 1.00 11.24 H new ATOM 0 HB2 LYS A 28 11.705 26.121 0.379 1.00 74.40 H new ATOM 0 HB3 LYS A 28 12.776 25.362 1.539 1.00 74.40 H new ATOM 0 HG2 LYS A 28 14.322 26.131 0.016 1.00 14.21 H new ATOM 0 HG3 LYS A 28 14.053 24.521 -0.621 1.00 14.21 H new ATOM 0 HD2 LYS A 28 13.517 25.486 -2.587 1.00 21.11 H new ATOM 0 HD3 LYS A 28 12.035 26.037 -1.831 1.00 21.11 H new ATOM 0 HE2 LYS A 28 13.815 27.932 -0.925 1.00 74.12 H new ATOM 0 HE3 LYS A 28 14.506 27.552 -2.490 1.00 74.12 H new ATOM 0 HZ1 LYS A 28 12.905 29.346 -2.651 1.00 62.43 H new ATOM 0 HZ2 LYS A 28 12.351 27.996 -3.519 1.00 62.43 H new ATOM 0 HZ3 LYS A 28 11.682 28.364 -2.002 1.00 62.43 H new ATOM 501 N GLU A 29 11.579 23.472 -2.042 1.00 33.44 N ATOM 502 CA GLU A 29 10.977 23.416 -3.369 1.00 23.32 C ATOM 503 C GLU A 29 9.820 22.421 -3.400 1.00 41.43 C ATOM 504 O GLU A 29 8.810 22.648 -4.067 1.00 10.24 O ATOM 505 CB GLU A 29 12.026 23.027 -4.413 1.00 5.24 C ATOM 506 CG GLU A 29 12.966 24.162 -4.783 1.00 4.35 C ATOM 507 CD GLU A 29 13.025 24.408 -6.278 1.00 33.52 C ATOM 508 OE1 GLU A 29 12.811 23.447 -7.046 1.00 73.20 O ATOM 509 OE2 GLU A 29 13.284 25.561 -6.679 1.00 43.44 O ATOM 0 H GLU A 29 12.527 23.098 -1.992 1.00 33.44 H new ATOM 0 HA GLU A 29 10.589 24.407 -3.606 1.00 23.32 H new ATOM 0 HB2 GLU A 29 12.612 22.190 -4.033 1.00 5.24 H new ATOM 0 HB3 GLU A 29 11.519 22.678 -5.313 1.00 5.24 H new ATOM 0 HG2 GLU A 29 12.643 25.074 -4.281 1.00 4.35 H new ATOM 0 HG3 GLU A 29 13.967 23.934 -4.417 1.00 4.35 H new ATOM 516 N PHE A 30 9.976 21.319 -2.675 1.00 75.43 N ATOM 517 CA PHE A 30 8.945 20.288 -2.621 1.00 23.01 C ATOM 518 C PHE A 30 7.897 20.622 -1.564 1.00 13.40 C ATOM 519 O PHE A 30 6.764 20.147 -1.625 1.00 72.24 O ATOM 520 CB PHE A 30 9.573 18.925 -2.320 1.00 14.32 C ATOM 521 CG PHE A 30 10.258 18.306 -3.504 1.00 42.11 C ATOM 522 CD1 PHE A 30 11.326 18.944 -4.115 1.00 22.45 C ATOM 523 CD2 PHE A 30 9.834 17.087 -4.007 1.00 61.33 C ATOM 524 CE1 PHE A 30 11.960 18.376 -5.204 1.00 55.43 C ATOM 525 CE2 PHE A 30 10.464 16.515 -5.096 1.00 73.55 C ATOM 526 CZ PHE A 30 11.527 17.161 -5.696 1.00 71.45 C ATOM 0 H PHE A 30 10.805 21.116 -2.117 1.00 75.43 H new ATOM 0 HA PHE A 30 8.455 20.248 -3.594 1.00 23.01 H new ATOM 0 HB2 PHE A 30 10.294 19.037 -1.511 1.00 14.32 H new ATOM 0 HB3 PHE A 30 8.797 18.247 -1.964 1.00 14.32 H new ATOM 0 HD1 PHE A 30 11.667 19.896 -3.736 1.00 22.45 H new ATOM 0 HD2 PHE A 30 9.002 16.578 -3.543 1.00 61.33 H new ATOM 0 HE1 PHE A 30 12.793 18.882 -5.669 1.00 55.43 H new ATOM 0 HE2 PHE A 30 10.125 15.563 -5.478 1.00 73.55 H new ATOM 0 HZ PHE A 30 12.019 16.716 -6.549 1.00 71.45 H new ATOM 536 N GLY A 31 8.284 21.445 -0.594 1.00 23.34 N ATOM 537 CA GLY A 31 7.367 21.829 0.464 1.00 64.23 C ATOM 538 C GLY A 31 7.438 20.899 1.659 1.00 62.14 C ATOM 539 O GLY A 31 6.413 20.552 2.246 1.00 5.13 O ATOM 0 H GLY A 31 9.216 21.853 -0.522 1.00 23.34 H new ATOM 0 HA2 GLY A 31 7.593 22.846 0.785 1.00 64.23 H new ATOM 0 HA3 GLY A 31 6.349 21.837 0.073 1.00 64.23 H new ATOM 543 N VAL A 32 8.651 20.492 2.019 1.00 43.00 N ATOM 544 CA VAL A 32 8.852 19.596 3.151 1.00 21.14 C ATOM 545 C VAL A 32 10.089 19.989 3.951 1.00 41.40 C ATOM 546 O VAL A 32 10.896 20.804 3.504 1.00 2.54 O ATOM 547 CB VAL A 32 8.996 18.133 2.691 1.00 12.11 C ATOM 548 CG1 VAL A 32 7.646 17.569 2.276 1.00 74.21 C ATOM 549 CG2 VAL A 32 9.999 18.030 1.552 1.00 21.53 C ATOM 0 H VAL A 32 9.509 20.769 1.543 1.00 43.00 H new ATOM 0 HA VAL A 32 7.969 19.685 3.785 1.00 21.14 H new ATOM 0 HB VAL A 32 9.368 17.542 3.527 1.00 12.11 H new ATOM 0 HG11 VAL A 32 7.767 16.535 1.954 1.00 74.21 H new ATOM 0 HG12 VAL A 32 6.960 17.608 3.122 1.00 74.21 H new ATOM 0 HG13 VAL A 32 7.242 18.160 1.454 1.00 74.21 H new ATOM 0 HG21 VAL A 32 10.089 16.990 1.239 1.00 21.53 H new ATOM 0 HG22 VAL A 32 9.658 18.634 0.711 1.00 21.53 H new ATOM 0 HG23 VAL A 32 10.970 18.393 1.889 1.00 21.53 H new ATOM 559 N SER A 33 10.232 19.404 5.136 1.00 51.31 N ATOM 560 CA SER A 33 11.370 19.696 6.000 1.00 35.13 C ATOM 561 C SER A 33 12.551 18.789 5.668 1.00 51.51 C ATOM 562 O SER A 33 12.374 17.667 5.195 1.00 74.33 O ATOM 563 CB SER A 33 10.978 19.524 7.469 1.00 1.53 C ATOM 564 OG SER A 33 11.107 18.173 7.877 1.00 1.51 O ATOM 0 H SER A 33 9.574 18.725 5.520 1.00 51.31 H new ATOM 0 HA SER A 33 11.669 20.730 5.829 1.00 35.13 H new ATOM 0 HB2 SER A 33 11.608 20.157 8.093 1.00 1.53 H new ATOM 0 HB3 SER A 33 9.950 19.855 7.615 1.00 1.53 H new ATOM 0 HG SER A 33 10.852 18.090 8.820 1.00 1.51 H new ATOM 570 N LYS A 34 13.758 19.285 5.919 1.00 52.21 N ATOM 571 CA LYS A 34 14.970 18.522 5.649 1.00 44.04 C ATOM 572 C LYS A 34 14.896 17.139 6.287 1.00 62.31 C ATOM 573 O LYS A 34 15.339 16.150 5.702 1.00 53.21 O ATOM 574 CB LYS A 34 16.197 19.272 6.173 1.00 41.15 C ATOM 575 CG LYS A 34 16.341 20.674 5.606 1.00 72.01 C ATOM 576 CD LYS A 34 16.041 21.732 6.654 1.00 3.51 C ATOM 577 CE LYS A 34 15.092 22.793 6.119 1.00 13.53 C ATOM 578 NZ LYS A 34 14.964 23.946 7.054 1.00 31.53 N ATOM 0 H LYS A 34 13.922 20.213 6.309 1.00 52.21 H new ATOM 0 HA LYS A 34 15.060 18.400 4.570 1.00 44.04 H new ATOM 0 HB2 LYS A 34 16.138 19.333 7.260 1.00 41.15 H new ATOM 0 HB3 LYS A 34 17.093 18.699 5.934 1.00 41.15 H new ATOM 0 HG2 LYS A 34 17.354 20.812 5.227 1.00 72.01 H new ATOM 0 HG3 LYS A 34 15.665 20.797 4.760 1.00 72.01 H new ATOM 0 HD2 LYS A 34 15.603 21.260 7.534 1.00 3.51 H new ATOM 0 HD3 LYS A 34 16.971 22.202 6.974 1.00 3.51 H new ATOM 0 HE2 LYS A 34 15.451 23.147 5.153 1.00 13.53 H new ATOM 0 HE3 LYS A 34 14.110 22.351 5.952 1.00 13.53 H new ATOM 0 HZ1 LYS A 34 14.309 24.647 6.653 1.00 31.53 H new ATOM 0 HZ2 LYS A 34 14.597 23.612 7.968 1.00 31.53 H new ATOM 0 HZ3 LYS A 34 15.897 24.384 7.194 1.00 31.53 H new ATOM 592 N SER A 35 14.333 17.076 7.489 1.00 11.12 N ATOM 593 CA SER A 35 14.203 15.814 8.208 1.00 60.23 C ATOM 594 C SER A 35 13.369 14.817 7.408 1.00 1.15 C ATOM 595 O SER A 35 13.617 13.611 7.445 1.00 53.31 O ATOM 596 CB SER A 35 13.565 16.046 9.579 1.00 50.34 C ATOM 597 OG SER A 35 13.725 14.913 10.414 1.00 35.02 O ATOM 0 H SER A 35 13.959 17.885 7.986 1.00 11.12 H new ATOM 0 HA SER A 35 15.201 15.399 8.346 1.00 60.23 H new ATOM 0 HB2 SER A 35 14.018 16.917 10.052 1.00 50.34 H new ATOM 0 HB3 SER A 35 12.504 16.265 9.458 1.00 50.34 H new ATOM 0 HG SER A 35 13.310 15.087 11.285 1.00 35.02 H new ATOM 603 N THR A 36 12.378 15.330 6.686 1.00 71.33 N ATOM 604 CA THR A 36 11.506 14.486 5.878 1.00 14.51 C ATOM 605 C THR A 36 12.184 14.083 4.574 1.00 24.33 C ATOM 606 O THR A 36 12.032 12.954 4.107 1.00 52.13 O ATOM 607 CB THR A 36 10.179 15.199 5.554 1.00 72.32 C ATOM 608 OG1 THR A 36 9.531 15.602 6.765 1.00 15.11 O ATOM 609 CG2 THR A 36 9.256 14.288 4.758 1.00 62.11 C ATOM 0 H THR A 36 12.159 16.325 6.644 1.00 71.33 H new ATOM 0 HA THR A 36 11.297 13.593 6.466 1.00 14.51 H new ATOM 0 HB THR A 36 10.403 16.080 4.952 1.00 72.32 H new ATOM 0 HG1 THR A 36 9.988 16.386 7.135 1.00 15.11 H new ATOM 0 HG21 THR A 36 8.326 14.813 4.541 1.00 62.11 H new ATOM 0 HG22 THR A 36 9.740 14.006 3.823 1.00 62.11 H new ATOM 0 HG23 THR A 36 9.040 13.391 5.339 1.00 62.11 H new ATOM 617 N VAL A 37 12.936 15.012 3.991 1.00 35.51 N ATOM 618 CA VAL A 37 13.640 14.751 2.741 1.00 12.43 C ATOM 619 C VAL A 37 14.807 13.795 2.957 1.00 21.22 C ATOM 620 O VAL A 37 14.854 12.713 2.371 1.00 33.32 O ATOM 621 CB VAL A 37 14.168 16.055 2.113 1.00 71.42 C ATOM 622 CG1 VAL A 37 14.941 15.757 0.837 1.00 2.41 C ATOM 623 CG2 VAL A 37 13.021 17.016 1.839 1.00 4.32 C ATOM 0 H VAL A 37 13.073 15.951 4.364 1.00 35.51 H new ATOM 0 HA VAL A 37 12.921 14.294 2.061 1.00 12.43 H new ATOM 0 HB VAL A 37 14.849 16.530 2.820 1.00 71.42 H new ATOM 0 HG11 VAL A 37 15.307 16.689 0.407 1.00 2.41 H new ATOM 0 HG12 VAL A 37 15.786 15.108 1.067 1.00 2.41 H new ATOM 0 HG13 VAL A 37 14.285 15.260 0.122 1.00 2.41 H new ATOM 0 HG21 VAL A 37 13.412 17.932 1.396 1.00 4.32 H new ATOM 0 HG22 VAL A 37 12.314 16.552 1.151 1.00 4.32 H new ATOM 0 HG23 VAL A 37 12.514 17.253 2.774 1.00 4.32 H new ATOM 633 N HIS A 38 15.749 14.201 3.803 1.00 61.42 N ATOM 634 CA HIS A 38 16.917 13.379 4.098 1.00 65.35 C ATOM 635 C HIS A 38 16.500 11.977 4.533 1.00 40.24 C ATOM 636 O HIS A 38 17.242 11.012 4.350 1.00 71.23 O ATOM 637 CB HIS A 38 17.765 14.033 5.189 1.00 63.22 C ATOM 638 CG HIS A 38 18.968 14.753 4.662 1.00 64.41 C ATOM 639 ND1 HIS A 38 19.457 15.913 5.224 1.00 24.22 N ATOM 640 CD2 HIS A 38 19.783 14.469 3.619 1.00 50.44 C ATOM 641 CE1 HIS A 38 20.520 16.313 4.548 1.00 14.25 C ATOM 642 NE2 HIS A 38 20.739 15.454 3.569 1.00 13.22 N ATOM 0 H HIS A 38 15.726 15.094 4.296 1.00 61.42 H new ATOM 0 HA HIS A 38 17.511 13.296 3.188 1.00 65.35 H new ATOM 0 HB2 HIS A 38 17.146 14.736 5.746 1.00 63.22 H new ATOM 0 HB3 HIS A 38 18.090 13.267 5.893 1.00 63.22 H new ATOM 0 HD1 HIS A 38 19.060 16.388 6.035 1.00 24.22 H new ATOM 0 HD2 HIS A 38 19.697 13.625 2.951 1.00 50.44 H new ATOM 0 HE1 HIS A 38 21.109 17.193 4.760 1.00 14.25 H new ATOM 650 N LYS A 39 15.308 11.873 5.110 1.00 30.23 N ATOM 651 CA LYS A 39 14.790 10.590 5.571 1.00 4.05 C ATOM 652 C LYS A 39 14.676 9.602 4.415 1.00 53.10 C ATOM 653 O LYS A 39 15.183 8.483 4.490 1.00 61.14 O ATOM 654 CB LYS A 39 13.424 10.777 6.234 1.00 33.32 C ATOM 655 CG LYS A 39 12.721 9.470 6.557 1.00 33.31 C ATOM 656 CD LYS A 39 11.421 9.706 7.309 1.00 44.24 C ATOM 657 CE LYS A 39 10.299 8.833 6.770 1.00 71.42 C ATOM 658 NZ LYS A 39 10.280 7.491 7.417 1.00 44.52 N ATOM 0 H LYS A 39 14.682 12.662 5.270 1.00 30.23 H new ATOM 0 HA LYS A 39 15.489 10.186 6.303 1.00 4.05 H new ATOM 0 HB2 LYS A 39 13.551 11.349 7.153 1.00 33.32 H new ATOM 0 HB3 LYS A 39 12.788 11.369 5.576 1.00 33.32 H new ATOM 0 HG2 LYS A 39 12.515 8.929 5.633 1.00 33.31 H new ATOM 0 HG3 LYS A 39 13.379 8.840 7.155 1.00 33.31 H new ATOM 0 HD2 LYS A 39 11.569 9.497 8.368 1.00 44.24 H new ATOM 0 HD3 LYS A 39 11.138 10.755 7.228 1.00 44.24 H new ATOM 0 HE2 LYS A 39 9.342 9.329 6.934 1.00 71.42 H new ATOM 0 HE3 LYS A 39 10.416 8.715 5.693 1.00 71.42 H new ATOM 0 HZ1 LYS A 39 9.501 6.926 7.022 1.00 44.52 H new ATOM 0 HZ2 LYS A 39 11.183 7.007 7.239 1.00 44.52 H new ATOM 0 HZ3 LYS A 39 10.143 7.602 8.442 1.00 44.52 H new ATOM 672 N ASP A 40 14.008 10.024 3.347 1.00 35.40 N ATOM 673 CA ASP A 40 13.829 9.177 2.173 1.00 33.55 C ATOM 674 C ASP A 40 15.066 9.214 1.283 1.00 44.15 C ATOM 675 O ASP A 40 15.427 8.214 0.660 1.00 53.34 O ATOM 676 CB ASP A 40 12.600 9.622 1.379 1.00 33.43 C ATOM 677 CG ASP A 40 11.314 9.026 1.919 1.00 25.14 C ATOM 678 OD1 ASP A 40 11.069 9.151 3.137 1.00 12.12 O ATOM 679 OD2 ASP A 40 10.555 8.434 1.124 1.00 34.34 O ATOM 0 H ASP A 40 13.582 10.947 3.270 1.00 35.40 H new ATOM 0 HA ASP A 40 13.680 8.153 2.514 1.00 33.55 H new ATOM 0 HB2 ASP A 40 12.531 10.710 1.402 1.00 33.43 H new ATOM 0 HB3 ASP A 40 12.721 9.332 0.335 1.00 33.43 H new ATOM 684 N LEU A 41 15.713 10.373 1.226 1.00 50.15 N ATOM 685 CA LEU A 41 16.910 10.542 0.410 1.00 65.14 C ATOM 686 C LEU A 41 18.008 9.577 0.847 1.00 32.00 C ATOM 687 O LEU A 41 18.945 9.303 0.096 1.00 32.23 O ATOM 688 CB LEU A 41 17.416 11.983 0.502 1.00 32.34 C ATOM 689 CG LEU A 41 16.804 12.974 -0.488 1.00 72.33 C ATOM 690 CD1 LEU A 41 17.635 13.040 -1.760 1.00 24.41 C ATOM 691 CD2 LEU A 41 15.367 12.589 -0.808 1.00 54.41 C ATOM 0 H LEU A 41 15.429 11.210 1.735 1.00 50.15 H new ATOM 0 HA LEU A 41 16.648 10.321 -0.625 1.00 65.14 H new ATOM 0 HB2 LEU A 41 17.231 12.348 1.512 1.00 32.34 H new ATOM 0 HB3 LEU A 41 18.496 11.977 0.358 1.00 32.34 H new ATOM 0 HG LEU A 41 16.801 13.962 -0.028 1.00 72.33 H new ATOM 0 HD11 LEU A 41 17.184 13.750 -2.453 1.00 24.41 H new ATOM 0 HD12 LEU A 41 18.647 13.363 -1.517 1.00 24.41 H new ATOM 0 HD13 LEU A 41 17.670 12.054 -2.223 1.00 24.41 H new ATOM 0 HD21 LEU A 41 14.947 13.305 -1.514 1.00 54.41 H new ATOM 0 HD22 LEU A 41 15.347 11.592 -1.247 1.00 54.41 H new ATOM 0 HD23 LEU A 41 14.776 12.594 0.108 1.00 54.41 H new ATOM 703 N THR A 42 17.885 9.062 2.067 1.00 54.14 N ATOM 704 CA THR A 42 18.865 8.127 2.604 1.00 72.10 C ATOM 705 C THR A 42 18.232 6.769 2.886 1.00 1.12 C ATOM 706 O THR A 42 18.889 5.863 3.396 1.00 23.54 O ATOM 707 CB THR A 42 19.501 8.663 3.900 1.00 3.30 C ATOM 708 OG1 THR A 42 18.527 8.690 4.949 1.00 3.44 O ATOM 709 CG2 THR A 42 20.065 10.060 3.688 1.00 11.32 C ATOM 0 H THR A 42 17.116 9.277 2.701 1.00 54.14 H new ATOM 0 HA THR A 42 19.641 8.013 1.847 1.00 72.10 H new ATOM 0 HB THR A 42 20.317 7.997 4.180 1.00 3.30 H new ATOM 0 HG1 THR A 42 17.985 9.503 4.871 1.00 3.44 H new ATOM 0 HG21 THR A 42 20.509 10.418 4.617 1.00 11.32 H new ATOM 0 HG22 THR A 42 20.827 10.030 2.909 1.00 11.32 H new ATOM 0 HG23 THR A 42 19.263 10.734 3.386 1.00 11.32 H new ATOM 717 N GLU A 43 16.953 6.636 2.550 1.00 13.12 N ATOM 718 CA GLU A 43 16.232 5.387 2.768 1.00 2.34 C ATOM 719 C GLU A 43 15.695 4.832 1.452 1.00 24.24 C ATOM 720 O GLU A 43 16.228 3.862 0.912 1.00 2.14 O ATOM 721 CB GLU A 43 15.080 5.603 3.752 1.00 73.34 C ATOM 722 CG GLU A 43 15.526 5.700 5.201 1.00 41.13 C ATOM 723 CD GLU A 43 15.305 4.410 5.967 1.00 3.41 C ATOM 724 OE1 GLU A 43 14.132 4.049 6.196 1.00 23.10 O ATOM 725 OE2 GLU A 43 16.307 3.762 6.338 1.00 53.43 O ATOM 0 H GLU A 43 16.395 7.377 2.126 1.00 13.12 H new ATOM 0 HA GLU A 43 16.929 4.663 3.189 1.00 2.34 H new ATOM 0 HB2 GLU A 43 14.550 6.516 3.482 1.00 73.34 H new ATOM 0 HB3 GLU A 43 14.371 4.781 3.653 1.00 73.34 H new ATOM 0 HG2 GLU A 43 16.584 5.962 5.235 1.00 41.13 H new ATOM 0 HG3 GLU A 43 14.982 6.507 5.691 1.00 41.13 H new ATOM 732 N ARG A 44 14.637 5.453 0.943 1.00 40.15 N ATOM 733 CA ARG A 44 14.026 5.020 -0.309 1.00 4.54 C ATOM 734 C ARG A 44 14.929 5.346 -1.495 1.00 60.22 C ATOM 735 O ARG A 44 15.193 4.490 -2.341 1.00 54.44 O ATOM 736 CB ARG A 44 12.663 5.689 -0.493 1.00 73.22 C ATOM 737 CG ARG A 44 11.576 5.111 0.398 1.00 13.24 C ATOM 738 CD ARG A 44 11.068 3.780 -0.133 1.00 53.24 C ATOM 739 NE ARG A 44 11.011 2.760 0.910 1.00 72.32 N ATOM 740 CZ ARG A 44 10.283 1.653 0.816 1.00 72.42 C ATOM 741 NH1 ARG A 44 9.554 1.424 -0.268 1.00 44.12 N ATOM 742 NH2 ARG A 44 10.283 0.771 1.808 1.00 72.15 N ATOM 0 H ARG A 44 14.185 6.257 1.377 1.00 40.15 H new ATOM 0 HA ARG A 44 13.890 3.939 -0.264 1.00 4.54 H new ATOM 0 HB2 ARG A 44 12.760 6.755 -0.288 1.00 73.22 H new ATOM 0 HB3 ARG A 44 12.357 5.591 -1.535 1.00 73.22 H new ATOM 0 HG2 ARG A 44 11.965 4.976 1.407 1.00 13.24 H new ATOM 0 HG3 ARG A 44 10.748 5.816 0.467 1.00 13.24 H new ATOM 0 HD2 ARG A 44 10.075 3.916 -0.561 1.00 53.24 H new ATOM 0 HD3 ARG A 44 11.719 3.439 -0.938 1.00 53.24 H new ATOM 0 HE ARG A 44 11.560 2.905 1.757 1.00 72.32 H new ATOM 0 HH11 ARG A 44 9.551 2.099 -1.033 1.00 44.12 H new ATOM 0 HH12 ARG A 44 8.996 0.573 -0.337 1.00 44.12 H new ATOM 0 HH21 ARG A 44 10.842 0.943 2.643 1.00 72.15 H new ATOM 0 HH22 ARG A 44 9.724 -0.079 1.735 1.00 72.15 H new ATOM 756 N LEU A 45 15.399 6.587 -1.551 1.00 63.11 N ATOM 757 CA LEU A 45 16.272 7.026 -2.634 1.00 44.21 C ATOM 758 C LEU A 45 17.326 5.969 -2.947 1.00 23.21 C ATOM 759 O LEU A 45 17.428 5.471 -4.068 1.00 71.13 O ATOM 760 CB LEU A 45 16.952 8.346 -2.265 1.00 14.03 C ATOM 761 CG LEU A 45 18.314 8.604 -2.910 1.00 33.40 C ATOM 762 CD1 LEU A 45 18.248 8.361 -4.410 1.00 23.42 C ATOM 763 CD2 LEU A 45 18.783 10.021 -2.617 1.00 51.34 C ATOM 0 H LEU A 45 15.190 7.307 -0.859 1.00 63.11 H new ATOM 0 HA LEU A 45 15.659 7.176 -3.523 1.00 44.21 H new ATOM 0 HB2 LEU A 45 16.284 9.164 -2.536 1.00 14.03 H new ATOM 0 HB3 LEU A 45 17.073 8.379 -1.182 1.00 14.03 H new ATOM 0 HG LEU A 45 19.036 7.909 -2.481 1.00 33.40 H new ATOM 0 HD11 LEU A 45 19.226 8.549 -4.853 1.00 23.42 H new ATOM 0 HD12 LEU A 45 17.957 7.328 -4.599 1.00 23.42 H new ATOM 0 HD13 LEU A 45 17.513 9.032 -4.855 1.00 23.42 H new ATOM 0 HD21 LEU A 45 19.754 10.187 -3.084 1.00 51.34 H new ATOM 0 HD22 LEU A 45 18.062 10.733 -3.017 1.00 51.34 H new ATOM 0 HD23 LEU A 45 18.870 10.160 -1.539 1.00 51.34 H new ATOM 775 N PRO A 46 18.129 5.615 -1.932 1.00 42.03 N ATOM 776 CA PRO A 46 19.188 4.611 -2.074 1.00 0.12 C ATOM 777 C PRO A 46 18.631 3.203 -2.253 1.00 64.14 C ATOM 778 O PRO A 46 19.202 2.388 -2.978 1.00 3.33 O ATOM 779 CB PRO A 46 19.957 4.718 -0.754 1.00 53.04 C ATOM 780 CG PRO A 46 18.966 5.257 0.219 1.00 72.22 C ATOM 781 CD PRO A 46 18.065 6.167 -0.569 1.00 12.42 C ATOM 0 HA PRO A 46 19.802 4.788 -2.957 1.00 0.12 H new ATOM 0 HB2 PRO A 46 20.335 3.746 -0.436 1.00 53.04 H new ATOM 0 HB3 PRO A 46 20.818 5.380 -0.850 1.00 53.04 H new ATOM 0 HG2 PRO A 46 18.397 4.451 0.684 1.00 72.22 H new ATOM 0 HG3 PRO A 46 19.464 5.800 1.022 1.00 72.22 H new ATOM 0 HD2 PRO A 46 17.047 6.159 -0.180 1.00 12.42 H new ATOM 0 HD3 PRO A 46 18.411 7.200 -0.537 1.00 12.42 H new ATOM 789 N GLU A 47 17.514 2.924 -1.590 1.00 31.04 N ATOM 790 CA GLU A 47 16.881 1.613 -1.677 1.00 3.10 C ATOM 791 C GLU A 47 16.489 1.293 -3.116 1.00 54.35 C ATOM 792 O GLU A 47 16.705 0.180 -3.597 1.00 41.53 O ATOM 793 CB GLU A 47 15.646 1.557 -0.775 1.00 42.14 C ATOM 794 CG GLU A 47 15.930 1.008 0.612 1.00 21.44 C ATOM 795 CD GLU A 47 15.705 -0.489 0.705 1.00 62.25 C ATOM 796 OE1 GLU A 47 15.757 -1.162 -0.346 1.00 63.04 O ATOM 797 OE2 GLU A 47 15.477 -0.987 1.826 1.00 31.54 O ATOM 0 H GLU A 47 17.028 3.588 -0.987 1.00 31.04 H new ATOM 0 HA GLU A 47 17.601 0.867 -1.341 1.00 3.10 H new ATOM 0 HB2 GLU A 47 15.229 2.560 -0.681 1.00 42.14 H new ATOM 0 HB3 GLU A 47 14.886 0.939 -1.252 1.00 42.14 H new ATOM 0 HG2 GLU A 47 16.961 1.234 0.884 1.00 21.44 H new ATOM 0 HG3 GLU A 47 15.291 1.513 1.336 1.00 21.44 H new ATOM 804 N ILE A 48 15.910 2.276 -3.798 1.00 10.31 N ATOM 805 CA ILE A 48 15.488 2.100 -5.182 1.00 14.22 C ATOM 806 C ILE A 48 16.603 2.481 -6.150 1.00 31.44 C ATOM 807 O ILE A 48 16.671 1.969 -7.266 1.00 60.41 O ATOM 808 CB ILE A 48 14.238 2.942 -5.500 1.00 73.33 C ATOM 809 CG1 ILE A 48 14.465 4.402 -5.106 1.00 3.42 C ATOM 810 CG2 ILE A 48 13.022 2.377 -4.782 1.00 35.43 C ATOM 811 CD1 ILE A 48 14.067 5.388 -6.182 1.00 2.11 C ATOM 0 H ILE A 48 15.723 3.202 -3.414 1.00 10.31 H new ATOM 0 HA ILE A 48 15.247 1.044 -5.307 1.00 14.22 H new ATOM 0 HB ILE A 48 14.054 2.900 -6.574 1.00 73.33 H new ATOM 0 HG12 ILE A 48 13.899 4.617 -4.200 1.00 3.42 H new ATOM 0 HG13 ILE A 48 15.518 4.545 -4.865 1.00 3.42 H new ATOM 0 HG21 ILE A 48 12.147 2.983 -5.017 1.00 35.43 H new ATOM 0 HG22 ILE A 48 12.851 1.351 -5.108 1.00 35.43 H new ATOM 0 HG23 ILE A 48 13.195 2.392 -3.706 1.00 35.43 H new ATOM 0 HD11 ILE A 48 14.256 6.403 -5.833 1.00 2.11 H new ATOM 0 HD12 ILE A 48 14.651 5.199 -7.083 1.00 2.11 H new ATOM 0 HD13 ILE A 48 13.007 5.273 -6.407 1.00 2.11 H new ATOM 823 N ASN A 49 17.477 3.382 -5.712 1.00 72.52 N ATOM 824 CA ASN A 49 18.591 3.830 -6.540 1.00 11.14 C ATOM 825 C ASN A 49 19.785 4.227 -5.676 1.00 74.40 C ATOM 826 O ASN A 49 19.852 5.331 -5.135 1.00 35.50 O ATOM 827 CB ASN A 49 18.163 5.012 -7.411 1.00 55.41 C ATOM 828 CG ASN A 49 17.511 4.569 -8.707 1.00 10.32 C ATOM 829 OD1 ASN A 49 18.150 3.945 -9.554 1.00 51.42 O ATOM 830 ND2 ASN A 49 16.232 4.891 -8.866 1.00 45.13 N ATOM 0 H ASN A 49 17.435 3.816 -4.790 1.00 72.52 H new ATOM 0 HA ASN A 49 18.889 3.002 -7.183 1.00 11.14 H new ATOM 0 HB2 ASN A 49 17.467 5.638 -6.853 1.00 55.41 H new ATOM 0 HB3 ASN A 49 19.034 5.627 -7.637 1.00 55.41 H new ATOM 0 HD21 ASN A 49 15.740 4.620 -9.717 1.00 45.13 H new ATOM 0 HD22 ASN A 49 15.742 5.409 -8.137 1.00 45.13 H new ATOM 837 N PRO A 50 20.751 3.306 -5.543 1.00 73.23 N ATOM 838 CA PRO A 50 21.960 3.536 -4.748 1.00 3.50 C ATOM 839 C PRO A 50 22.890 4.561 -5.390 1.00 15.11 C ATOM 840 O PRO A 50 23.492 5.384 -4.701 1.00 4.03 O ATOM 841 CB PRO A 50 22.628 2.159 -4.710 1.00 13.43 C ATOM 842 CG PRO A 50 22.136 1.466 -5.933 1.00 50.01 C ATOM 843 CD PRO A 50 20.737 1.969 -6.160 1.00 20.40 C ATOM 0 HA PRO A 50 21.728 3.940 -3.762 1.00 3.50 H new ATOM 0 HB2 PRO A 50 23.715 2.246 -4.714 1.00 13.43 H new ATOM 0 HB3 PRO A 50 22.355 1.611 -3.808 1.00 13.43 H new ATOM 0 HG2 PRO A 50 22.773 1.686 -6.789 1.00 50.01 H new ATOM 0 HG3 PRO A 50 22.145 0.384 -5.799 1.00 50.01 H new ATOM 0 HD2 PRO A 50 20.495 2.019 -7.222 1.00 20.40 H new ATOM 0 HD3 PRO A 50 19.996 1.319 -5.694 1.00 20.40 H new ATOM 851 N ASP A 51 23.000 4.506 -6.713 1.00 21.55 N ATOM 852 CA ASP A 51 23.855 5.430 -7.448 1.00 1.22 C ATOM 853 C ASP A 51 23.397 6.871 -7.246 1.00 1.31 C ATOM 854 O ASP A 51 24.199 7.750 -6.925 1.00 72.31 O ATOM 855 CB ASP A 51 23.853 5.085 -8.938 1.00 11.32 C ATOM 856 CG ASP A 51 24.550 3.771 -9.229 1.00 23.01 C ATOM 857 OD1 ASP A 51 25.145 3.196 -8.294 1.00 24.10 O ATOM 858 OD2 ASP A 51 24.502 3.318 -10.392 1.00 33.11 O ATOM 0 H ASP A 51 22.508 3.831 -7.298 1.00 21.55 H new ATOM 0 HA ASP A 51 24.870 5.333 -7.062 1.00 1.22 H new ATOM 0 HB2 ASP A 51 22.824 5.034 -9.295 1.00 11.32 H new ATOM 0 HB3 ASP A 51 24.344 5.884 -9.494 1.00 11.32 H new ATOM 863 N LEU A 52 22.104 7.108 -7.437 1.00 31.34 N ATOM 864 CA LEU A 52 21.538 8.443 -7.276 1.00 64.14 C ATOM 865 C LEU A 52 21.657 8.915 -5.831 1.00 25.22 C ATOM 866 O LEU A 52 21.706 10.115 -5.561 1.00 72.52 O ATOM 867 CB LEU A 52 20.071 8.452 -7.709 1.00 1.03 C ATOM 868 CG LEU A 52 19.811 8.703 -9.194 1.00 54.23 C ATOM 869 CD1 LEU A 52 18.322 8.631 -9.495 1.00 35.02 C ATOM 870 CD2 LEU A 52 20.377 10.052 -9.614 1.00 74.25 C ATOM 0 H LEU A 52 21.427 6.393 -7.704 1.00 31.34 H new ATOM 0 HA LEU A 52 22.101 9.128 -7.909 1.00 64.14 H new ATOM 0 HB2 LEU A 52 19.628 7.493 -7.440 1.00 1.03 H new ATOM 0 HB3 LEU A 52 19.548 9.217 -7.135 1.00 1.03 H new ATOM 0 HG LEU A 52 20.315 7.925 -9.768 1.00 54.23 H new ATOM 0 HD11 LEU A 52 18.156 8.812 -10.557 1.00 35.02 H new ATOM 0 HD12 LEU A 52 17.945 7.643 -9.232 1.00 35.02 H new ATOM 0 HD13 LEU A 52 17.796 9.387 -8.912 1.00 35.02 H new ATOM 0 HD21 LEU A 52 20.183 10.214 -10.674 1.00 74.25 H new ATOM 0 HD22 LEU A 52 19.902 10.843 -9.033 1.00 74.25 H new ATOM 0 HD23 LEU A 52 21.452 10.067 -9.436 1.00 74.25 H new ATOM 882 N ALA A 53 21.706 7.963 -4.905 1.00 64.41 N ATOM 883 CA ALA A 53 21.824 8.281 -3.487 1.00 63.45 C ATOM 884 C ALA A 53 23.186 8.891 -3.173 1.00 61.32 C ATOM 885 O ALA A 53 23.329 9.655 -2.220 1.00 50.32 O ATOM 886 CB ALA A 53 21.595 7.034 -2.646 1.00 65.20 C ATOM 0 H ALA A 53 21.666 6.965 -5.111 1.00 64.41 H new ATOM 0 HA ALA A 53 21.060 9.018 -3.240 1.00 63.45 H new ATOM 0 HB1 ALA A 53 21.686 7.286 -1.589 1.00 65.20 H new ATOM 0 HB2 ALA A 53 20.597 6.642 -2.841 1.00 65.20 H new ATOM 0 HB3 ALA A 53 22.338 6.279 -2.904 1.00 65.20 H new ATOM 892 N ASN A 54 24.184 8.547 -3.981 1.00 21.53 N ATOM 893 CA ASN A 54 25.536 9.060 -3.787 1.00 75.32 C ATOM 894 C ASN A 54 25.599 10.554 -4.090 1.00 35.23 C ATOM 895 O ASN A 54 26.327 11.299 -3.435 1.00 60.23 O ATOM 896 CB ASN A 54 26.523 8.305 -4.680 1.00 13.10 C ATOM 897 CG ASN A 54 27.230 7.185 -3.942 1.00 72.20 C ATOM 898 OD1 ASN A 54 27.569 7.318 -2.766 1.00 40.22 O ATOM 899 ND2 ASN A 54 27.456 6.073 -4.632 1.00 34.55 N ATOM 0 H ASN A 54 24.082 7.916 -4.776 1.00 21.53 H new ATOM 0 HA ASN A 54 25.810 8.907 -2.743 1.00 75.32 H new ATOM 0 HB2 ASN A 54 25.991 7.892 -5.537 1.00 13.10 H new ATOM 0 HB3 ASN A 54 27.263 9.003 -5.070 1.00 13.10 H new ATOM 0 HD21 ASN A 54 27.928 5.285 -4.189 1.00 34.55 H new ATOM 0 HD22 ASN A 54 27.157 6.007 -5.605 1.00 34.55 H new ATOM 906 N GLU A 55 24.829 10.983 -5.085 1.00 43.51 N ATOM 907 CA GLU A 55 24.798 12.389 -5.474 1.00 23.51 C ATOM 908 C GLU A 55 24.428 13.273 -4.287 1.00 54.31 C ATOM 909 O GLU A 55 25.175 14.178 -3.916 1.00 11.43 O ATOM 910 CB GLU A 55 23.802 12.603 -6.615 1.00 12.10 C ATOM 911 CG GLU A 55 23.958 11.610 -7.754 1.00 43.35 C ATOM 912 CD GLU A 55 23.104 11.962 -8.957 1.00 13.44 C ATOM 913 OE1 GLU A 55 22.176 12.785 -8.804 1.00 4.01 O ATOM 914 OE2 GLU A 55 23.362 11.416 -10.049 1.00 73.12 O ATOM 0 H GLU A 55 24.219 10.379 -5.636 1.00 43.51 H new ATOM 0 HA GLU A 55 25.795 12.668 -5.815 1.00 23.51 H new ATOM 0 HB2 GLU A 55 22.789 12.533 -6.219 1.00 12.10 H new ATOM 0 HB3 GLU A 55 23.922 13.613 -7.006 1.00 12.10 H new ATOM 0 HG2 GLU A 55 25.005 11.570 -8.055 1.00 43.35 H new ATOM 0 HG3 GLU A 55 23.690 10.614 -7.402 1.00 43.35 H new ATOM 921 N VAL A 56 23.267 13.005 -3.696 1.00 45.11 N ATOM 922 CA VAL A 56 22.797 13.775 -2.551 1.00 54.53 C ATOM 923 C VAL A 56 23.779 13.688 -1.388 1.00 74.44 C ATOM 924 O VAL A 56 23.845 14.585 -0.548 1.00 32.33 O ATOM 925 CB VAL A 56 21.413 13.290 -2.079 1.00 24.13 C ATOM 926 CG1 VAL A 56 21.484 11.841 -1.620 1.00 11.42 C ATOM 927 CG2 VAL A 56 20.886 14.185 -0.967 1.00 62.23 C ATOM 0 H VAL A 56 22.635 12.261 -3.992 1.00 45.11 H new ATOM 0 HA VAL A 56 22.718 14.812 -2.878 1.00 54.53 H new ATOM 0 HB VAL A 56 20.721 13.347 -2.919 1.00 24.13 H new ATOM 0 HG11 VAL A 56 20.498 11.515 -1.290 1.00 11.42 H new ATOM 0 HG12 VAL A 56 21.816 11.213 -2.447 1.00 11.42 H new ATOM 0 HG13 VAL A 56 22.190 11.755 -0.794 1.00 11.42 H new ATOM 0 HG21 VAL A 56 19.908 13.828 -0.646 1.00 62.23 H new ATOM 0 HG22 VAL A 56 21.576 14.162 -0.123 1.00 62.23 H new ATOM 0 HG23 VAL A 56 20.796 15.207 -1.334 1.00 62.23 H new ATOM 937 N LYS A 57 24.541 12.600 -1.346 1.00 42.42 N ATOM 938 CA LYS A 57 25.522 12.394 -0.288 1.00 5.24 C ATOM 939 C LYS A 57 26.802 13.174 -0.572 1.00 41.05 C ATOM 940 O LYS A 57 27.513 13.575 0.349 1.00 73.14 O ATOM 941 CB LYS A 57 25.842 10.905 -0.143 1.00 71.52 C ATOM 942 CG LYS A 57 27.093 10.627 0.673 1.00 74.02 C ATOM 943 CD LYS A 57 26.977 11.190 2.079 1.00 31.25 C ATOM 944 CE LYS A 57 25.938 10.437 2.897 1.00 5.22 C ATOM 945 NZ LYS A 57 26.380 9.051 3.214 1.00 24.04 N ATOM 0 H LYS A 57 24.498 11.847 -2.033 1.00 42.42 H new ATOM 0 HA LYS A 57 25.094 12.760 0.645 1.00 5.24 H new ATOM 0 HB2 LYS A 57 24.995 10.404 0.325 1.00 71.52 H new ATOM 0 HB3 LYS A 57 25.962 10.470 -1.135 1.00 71.52 H new ATOM 0 HG2 LYS A 57 27.264 9.552 0.724 1.00 74.02 H new ATOM 0 HG3 LYS A 57 27.958 11.065 0.175 1.00 74.02 H new ATOM 0 HD2 LYS A 57 27.945 11.132 2.576 1.00 31.25 H new ATOM 0 HD3 LYS A 57 26.707 12.245 2.029 1.00 31.25 H new ATOM 0 HE2 LYS A 57 25.744 10.977 3.824 1.00 5.22 H new ATOM 0 HE3 LYS A 57 24.998 10.401 2.346 1.00 5.22 H new ATOM 0 HZ1 LYS A 57 25.750 8.642 3.933 1.00 24.04 H new ATOM 0 HZ2 LYS A 57 26.345 8.470 2.352 1.00 24.04 H new ATOM 0 HZ3 LYS A 57 27.354 9.072 3.578 1.00 24.04 H new ATOM 959 N GLU A 58 27.088 13.386 -1.853 1.00 51.23 N ATOM 960 CA GLU A 58 28.282 14.119 -2.258 1.00 11.04 C ATOM 961 C GLU A 58 28.194 15.581 -1.830 1.00 0.15 C ATOM 962 O GLU A 58 29.108 16.109 -1.196 1.00 3.11 O ATOM 963 CB GLU A 58 28.473 14.031 -3.773 1.00 72.42 C ATOM 964 CG GLU A 58 29.083 12.718 -4.234 1.00 61.33 C ATOM 965 CD GLU A 58 29.864 12.859 -5.527 1.00 13.24 C ATOM 966 OE1 GLU A 58 29.486 13.710 -6.358 1.00 51.34 O ATOM 967 OE2 GLU A 58 30.853 12.118 -5.705 1.00 41.24 O ATOM 0 H GLU A 58 26.510 13.061 -2.628 1.00 51.23 H new ATOM 0 HA GLU A 58 29.141 13.664 -1.764 1.00 11.04 H new ATOM 0 HB2 GLU A 58 27.507 14.164 -4.261 1.00 72.42 H new ATOM 0 HB3 GLU A 58 29.111 14.853 -4.099 1.00 72.42 H new ATOM 0 HG2 GLU A 58 29.743 12.335 -3.455 1.00 61.33 H new ATOM 0 HG3 GLU A 58 28.291 11.982 -4.371 1.00 61.33 H new ATOM 974 N ILE A 59 27.088 16.229 -2.181 1.00 22.33 N ATOM 975 CA ILE A 59 26.880 17.629 -1.833 1.00 24.23 C ATOM 976 C ILE A 59 26.942 17.835 -0.323 1.00 54.00 C ATOM 977 O ILE A 59 27.335 18.900 0.154 1.00 50.42 O ATOM 978 CB ILE A 59 25.526 18.144 -2.355 1.00 64.14 C ATOM 979 CG1 ILE A 59 24.375 17.428 -1.646 1.00 3.15 C ATOM 980 CG2 ILE A 59 25.431 17.948 -3.861 1.00 52.11 C ATOM 981 CD1 ILE A 59 23.008 17.918 -2.067 1.00 13.01 C ATOM 0 H ILE A 59 26.322 15.807 -2.706 1.00 22.33 H new ATOM 0 HA ILE A 59 27.682 18.195 -2.308 1.00 24.23 H new ATOM 0 HB ILE A 59 25.452 19.210 -2.141 1.00 64.14 H new ATOM 0 HG12 ILE A 59 24.446 16.359 -1.845 1.00 3.15 H new ATOM 0 HG13 ILE A 59 24.484 17.560 -0.570 1.00 3.15 H new ATOM 0 HG21 ILE A 59 24.469 18.317 -4.216 1.00 52.11 H new ATOM 0 HG22 ILE A 59 26.234 18.499 -4.351 1.00 52.11 H new ATOM 0 HG23 ILE A 59 25.523 16.888 -4.096 1.00 52.11 H new ATOM 0 HD11 ILE A 59 22.241 17.366 -1.524 1.00 13.01 H new ATOM 0 HD12 ILE A 59 22.918 18.981 -1.843 1.00 13.01 H new ATOM 0 HD13 ILE A 59 22.879 17.761 -3.138 1.00 13.01 H new ATOM 993 N LEU A 60 26.552 16.809 0.425 1.00 72.42 N ATOM 994 CA LEU A 60 26.564 16.876 1.882 1.00 31.41 C ATOM 995 C LEU A 60 27.983 17.071 2.406 1.00 12.44 C ATOM 996 O LEU A 60 28.234 17.947 3.234 1.00 10.15 O ATOM 997 CB LEU A 60 25.960 15.602 2.476 1.00 72.22 C ATOM 998 CG LEU A 60 24.432 15.533 2.503 1.00 25.12 C ATOM 999 CD1 LEU A 60 23.968 14.210 3.093 1.00 4.21 C ATOM 1000 CD2 LEU A 60 23.860 16.701 3.292 1.00 11.24 C ATOM 0 H LEU A 60 26.223 15.921 0.047 1.00 72.42 H new ATOM 0 HA LEU A 60 25.962 17.732 2.187 1.00 31.41 H new ATOM 0 HB2 LEU A 60 26.332 14.749 1.909 1.00 72.22 H new ATOM 0 HB3 LEU A 60 26.327 15.491 3.496 1.00 72.22 H new ATOM 0 HG LEU A 60 24.066 15.599 1.478 1.00 25.12 H new ATOM 0 HD11 LEU A 60 22.879 14.179 3.104 1.00 4.21 H new ATOM 0 HD12 LEU A 60 24.348 13.388 2.487 1.00 4.21 H new ATOM 0 HD13 LEU A 60 24.344 14.114 4.111 1.00 4.21 H new ATOM 0 HD21 LEU A 60 22.772 16.636 3.301 1.00 11.24 H new ATOM 0 HD22 LEU A 60 24.234 16.667 4.315 1.00 11.24 H new ATOM 0 HD23 LEU A 60 24.164 17.638 2.826 1.00 11.24 H new ATOM 1012 N ASP A 61 28.907 16.252 1.917 1.00 31.02 N ATOM 1013 CA ASP A 61 30.302 16.337 2.334 1.00 71.03 C ATOM 1014 C ASP A 61 30.855 17.739 2.098 1.00 11.11 C ATOM 1015 O ASP A 61 31.789 18.171 2.775 1.00 74.14 O ATOM 1016 CB ASP A 61 31.145 15.309 1.578 1.00 25.12 C ATOM 1017 CG ASP A 61 32.451 15.001 2.284 1.00 63.50 C ATOM 1018 OD1 ASP A 61 32.404 14.506 3.430 1.00 53.34 O ATOM 1019 OD2 ASP A 61 33.521 15.254 1.691 1.00 10.10 O ATOM 0 H ASP A 61 28.716 15.521 1.231 1.00 31.02 H new ATOM 0 HA ASP A 61 30.351 16.122 3.401 1.00 71.03 H new ATOM 0 HB2 ASP A 61 30.572 14.389 1.461 1.00 25.12 H new ATOM 0 HB3 ASP A 61 31.356 15.682 0.576 1.00 25.12 H new ATOM 1024 N TYR A 62 30.273 18.444 1.134 1.00 4.44 N ATOM 1025 CA TYR A 62 30.710 19.796 0.807 1.00 42.41 C ATOM 1026 C TYR A 62 30.016 20.824 1.696 1.00 21.41 C ATOM 1027 O TYR A 62 30.547 21.906 1.945 1.00 1.52 O ATOM 1028 CB TYR A 62 30.427 20.104 -0.664 1.00 55.23 C ATOM 1029 CG TYR A 62 30.417 21.582 -0.983 1.00 10.32 C ATOM 1030 CD1 TYR A 62 31.585 22.333 -0.926 1.00 33.00 C ATOM 1031 CD2 TYR A 62 29.240 22.228 -1.342 1.00 30.15 C ATOM 1032 CE1 TYR A 62 31.580 23.684 -1.215 1.00 62.33 C ATOM 1033 CE2 TYR A 62 29.226 23.578 -1.634 1.00 44.00 C ATOM 1034 CZ TYR A 62 30.399 24.302 -1.569 1.00 71.41 C ATOM 1035 OH TYR A 62 30.391 25.647 -1.859 1.00 74.35 O ATOM 0 H TYR A 62 29.498 18.102 0.566 1.00 4.44 H new ATOM 0 HA TYR A 62 31.784 19.856 0.984 1.00 42.41 H new ATOM 0 HB2 TYR A 62 31.180 19.613 -1.281 1.00 55.23 H new ATOM 0 HB3 TYR A 62 29.463 19.676 -0.937 1.00 55.23 H new ATOM 0 HD1 TYR A 62 32.512 21.852 -0.651 1.00 33.00 H new ATOM 0 HD2 TYR A 62 28.320 21.665 -1.394 1.00 30.15 H new ATOM 0 HE1 TYR A 62 32.496 24.253 -1.164 1.00 62.33 H new ATOM 0 HE2 TYR A 62 28.302 24.064 -1.912 1.00 44.00 H new ATOM 0 HH TYR A 62 29.481 25.926 -2.091 1.00 74.35 H new ATOM 1045 N HIS A 63 28.825 20.475 2.173 1.00 41.42 N ATOM 1046 CA HIS A 63 28.057 21.366 3.036 1.00 71.32 C ATOM 1047 C HIS A 63 28.693 21.464 4.419 1.00 20.52 C ATOM 1048 O HIS A 63 28.494 22.443 5.138 1.00 43.32 O ATOM 1049 CB HIS A 63 26.615 20.873 3.159 1.00 71.45 C ATOM 1050 CG HIS A 63 25.902 20.774 1.845 1.00 12.01 C ATOM 1051 ND1 HIS A 63 24.865 19.894 1.616 1.00 40.32 N ATOM 1052 CD2 HIS A 63 26.080 21.453 0.688 1.00 64.43 C ATOM 1053 CE1 HIS A 63 24.438 20.035 0.374 1.00 71.24 C ATOM 1054 NE2 HIS A 63 25.159 20.975 -0.211 1.00 74.30 N ATOM 0 H HIS A 63 28.371 19.583 1.977 1.00 41.42 H new ATOM 0 HA HIS A 63 28.057 22.358 2.584 1.00 71.32 H new ATOM 0 HB2 HIS A 63 26.614 19.894 3.638 1.00 71.45 H new ATOM 0 HB3 HIS A 63 26.063 21.549 3.813 1.00 71.45 H new ATOM 0 HD2 HIS A 63 26.811 22.227 0.506 1.00 64.43 H new ATOM 0 HE1 HIS A 63 23.636 19.477 -0.085 1.00 71.24 H new ATOM 0 HE2 HIS A 63 25.049 21.294 -1.174 1.00 74.30 H new ATOM 1062 N LYS A 64 29.458 20.441 4.787 1.00 41.31 N ATOM 1063 CA LYS A 64 30.124 20.411 6.084 1.00 42.15 C ATOM 1064 C LYS A 64 31.442 21.178 6.036 1.00 30.02 C ATOM 1065 O LYS A 64 31.912 21.686 7.054 1.00 40.40 O ATOM 1066 CB LYS A 64 30.379 18.965 6.516 1.00 55.32 C ATOM 1067 CG LYS A 64 29.125 18.237 6.969 1.00 23.42 C ATOM 1068 CD LYS A 64 29.089 16.811 6.446 1.00 24.50 C ATOM 1069 CE LYS A 64 29.845 15.861 7.363 1.00 45.21 C ATOM 1070 NZ LYS A 64 29.533 14.436 7.065 1.00 43.01 N ATOM 0 H LYS A 64 29.632 19.622 4.205 1.00 41.31 H new ATOM 0 HA LYS A 64 29.470 20.891 6.812 1.00 42.15 H new ATOM 0 HB2 LYS A 64 30.826 18.419 5.685 1.00 55.32 H new ATOM 0 HB3 LYS A 64 31.106 18.960 7.328 1.00 55.32 H new ATOM 0 HG2 LYS A 64 29.082 18.227 8.058 1.00 23.42 H new ATOM 0 HG3 LYS A 64 28.244 18.776 6.620 1.00 23.42 H new ATOM 0 HD2 LYS A 64 28.054 16.482 6.354 1.00 24.50 H new ATOM 0 HD3 LYS A 64 29.524 16.778 5.447 1.00 24.50 H new ATOM 0 HE2 LYS A 64 30.917 16.028 7.255 1.00 45.21 H new ATOM 0 HE3 LYS A 64 29.591 16.079 8.400 1.00 45.21 H new ATOM 0 HZ1 LYS A 64 30.068 13.821 7.711 1.00 43.01 H new ATOM 0 HZ2 LYS A 64 28.514 14.270 7.192 1.00 43.01 H new ATOM 0 HZ3 LYS A 64 29.799 14.221 6.083 1.00 43.01 H new ATOM 1084 N SER A 65 32.032 21.258 4.848 1.00 4.31 N ATOM 1085 CA SER A 65 33.297 21.961 4.669 1.00 4.31 C ATOM 1086 C SER A 65 33.141 23.448 4.976 1.00 71.33 C ATOM 1087 O SER A 65 33.875 24.004 5.793 1.00 15.42 O ATOM 1088 CB SER A 65 33.811 21.775 3.240 1.00 11.10 C ATOM 1089 OG SER A 65 34.089 20.412 2.972 1.00 64.22 O ATOM 0 H SER A 65 31.655 20.845 3.995 1.00 4.31 H new ATOM 0 HA SER A 65 34.021 21.538 5.366 1.00 4.31 H new ATOM 0 HB2 SER A 65 33.069 22.144 2.532 1.00 11.10 H new ATOM 0 HB3 SER A 65 34.713 22.369 3.094 1.00 11.10 H new ATOM 0 HG SER A 65 33.250 19.907 2.941 1.00 64.22 H new ATOM 1095 N ILE A 66 32.180 24.084 4.314 1.00 22.21 N ATOM 1096 CA ILE A 66 31.926 25.505 4.516 1.00 62.20 C ATOM 1097 C ILE A 66 31.017 25.735 5.718 1.00 11.32 C ATOM 1098 O ILE A 66 30.741 26.876 6.091 1.00 72.31 O ATOM 1099 CB ILE A 66 31.284 26.144 3.271 1.00 41.42 C ATOM 1100 CG1 ILE A 66 29.769 25.933 3.286 1.00 12.41 C ATOM 1101 CG2 ILE A 66 31.893 25.563 2.003 1.00 14.13 C ATOM 1102 CD1 ILE A 66 29.361 24.477 3.266 1.00 63.24 C ATOM 0 H ILE A 66 31.565 23.638 3.634 1.00 22.21 H new ATOM 0 HA ILE A 66 32.892 25.976 4.699 1.00 62.20 H new ATOM 0 HB ILE A 66 31.483 27.216 3.288 1.00 41.42 H new ATOM 0 HG12 ILE A 66 29.353 26.406 4.176 1.00 12.41 H new ATOM 0 HG13 ILE A 66 29.332 26.436 2.424 1.00 12.41 H new ATOM 0 HG21 ILE A 66 31.429 26.025 1.132 1.00 14.13 H new ATOM 0 HG22 ILE A 66 32.965 25.761 1.991 1.00 14.13 H new ATOM 0 HG23 ILE A 66 31.722 24.487 1.977 1.00 14.13 H new ATOM 0 HD11 ILE A 66 28.274 24.404 3.278 1.00 63.24 H new ATOM 0 HD12 ILE A 66 29.747 24.003 2.363 1.00 63.24 H new ATOM 0 HD13 ILE A 66 29.768 23.973 4.142 1.00 63.24 H new ATOM 1114 N ARG A 67 30.556 24.645 6.322 1.00 32.11 N ATOM 1115 CA ARG A 67 29.678 24.728 7.483 1.00 12.01 C ATOM 1116 C ARG A 67 30.261 25.662 8.540 1.00 71.41 C ATOM 1117 O ARG A 67 29.527 26.366 9.234 1.00 41.43 O ATOM 1118 CB ARG A 67 29.456 23.338 8.082 1.00 70.11 C ATOM 1119 CG ARG A 67 28.639 23.350 9.363 1.00 11.04 C ATOM 1120 CD ARG A 67 27.363 22.535 9.219 1.00 65.43 C ATOM 1121 NE ARG A 67 27.017 21.836 10.454 1.00 41.42 N ATOM 1122 CZ ARG A 67 27.708 20.810 10.936 1.00 23.23 C ATOM 1123 NH1 ARG A 67 28.778 20.365 10.291 1.00 33.42 N ATOM 1124 NH2 ARG A 67 27.330 20.227 12.067 1.00 64.54 N ATOM 0 H ARG A 67 30.776 23.694 6.027 1.00 32.11 H new ATOM 0 HA ARG A 67 28.720 25.132 7.155 1.00 12.01 H new ATOM 0 HB2 ARG A 67 28.953 22.711 7.346 1.00 70.11 H new ATOM 0 HB3 ARG A 67 30.424 22.879 8.283 1.00 70.11 H new ATOM 0 HG2 ARG A 67 29.237 22.949 10.181 1.00 11.04 H new ATOM 0 HG3 ARG A 67 28.388 24.378 9.626 1.00 11.04 H new ATOM 0 HD2 ARG A 67 26.543 23.193 8.933 1.00 65.43 H new ATOM 0 HD3 ARG A 67 27.485 21.810 8.414 1.00 65.43 H new ATOM 0 HE ARG A 67 26.199 22.154 10.975 1.00 41.42 H new ATOM 0 HH11 ARG A 67 29.072 20.811 9.422 1.00 33.42 H new ATOM 0 HH12 ARG A 67 29.307 19.577 10.664 1.00 33.42 H new ATOM 0 HH21 ARG A 67 26.508 20.567 12.566 1.00 64.54 H new ATOM 0 HH22 ARG A 67 27.861 19.439 12.437 1.00 64.54 H new ATOM 1138 N HIS A 68 31.585 25.661 8.657 1.00 20.22 N ATOM 1139 CA HIS A 68 32.267 26.508 9.630 1.00 71.35 C ATOM 1140 C HIS A 68 31.814 27.959 9.499 1.00 73.45 C ATOM 1141 O HIS A 68 31.760 28.695 10.485 1.00 71.32 O ATOM 1142 CB HIS A 68 33.782 26.416 9.444 1.00 73.40 C ATOM 1143 CG HIS A 68 34.475 25.665 10.539 1.00 32.01 C ATOM 1144 ND1 HIS A 68 34.341 25.987 11.873 1.00 23.43 N ATOM 1145 CD2 HIS A 68 35.310 24.601 10.492 1.00 60.21 C ATOM 1146 CE1 HIS A 68 35.066 25.154 12.599 1.00 32.03 C ATOM 1147 NE2 HIS A 68 35.663 24.303 11.785 1.00 23.20 N ATOM 0 H HIS A 68 32.207 25.084 8.091 1.00 20.22 H new ATOM 0 HA HIS A 68 32.009 26.154 10.628 1.00 71.35 H new ATOM 0 HB2 HIS A 68 33.994 25.931 8.491 1.00 73.40 H new ATOM 0 HB3 HIS A 68 34.195 27.423 9.388 1.00 73.40 H new ATOM 0 HD2 HIS A 68 35.638 24.083 9.603 1.00 60.21 H new ATOM 0 HE1 HIS A 68 35.155 25.167 13.675 1.00 32.03 H new ATOM 0 HE2 HIS A 68 36.285 23.547 12.070 1.00 23.20 H new ATOM 1155 N LEU A 69 31.490 28.364 8.276 1.00 75.13 N ATOM 1156 CA LEU A 69 31.041 29.728 8.015 1.00 24.52 C ATOM 1157 C LEU A 69 29.548 29.872 8.291 1.00 61.15 C ATOM 1158 O LEU A 69 29.088 30.922 8.739 1.00 42.21 O ATOM 1159 CB LEU A 69 31.345 30.117 6.567 1.00 13.35 C ATOM 1160 CG LEU A 69 32.815 30.062 6.151 1.00 1.15 C ATOM 1161 CD1 LEU A 69 32.938 29.915 4.643 1.00 72.41 C ATOM 1162 CD2 LEU A 69 33.552 31.305 6.629 1.00 15.14 C ATOM 0 H LEU A 69 31.530 27.768 7.449 1.00 75.13 H new ATOM 0 HA LEU A 69 31.581 30.397 8.685 1.00 24.52 H new ATOM 0 HB2 LEU A 69 30.777 29.460 5.909 1.00 13.35 H new ATOM 0 HB3 LEU A 69 30.979 31.130 6.400 1.00 13.35 H new ATOM 0 HG LEU A 69 33.272 29.190 6.619 1.00 1.15 H new ATOM 0 HD11 LEU A 69 33.992 29.878 4.366 1.00 72.41 H new ATOM 0 HD12 LEU A 69 32.446 28.995 4.326 1.00 72.41 H new ATOM 0 HD13 LEU A 69 32.464 30.767 4.155 1.00 72.41 H new ATOM 0 HD21 LEU A 69 34.597 31.248 6.324 1.00 15.14 H new ATOM 0 HD22 LEU A 69 33.093 32.191 6.190 1.00 15.14 H new ATOM 0 HD23 LEU A 69 33.494 31.367 7.716 1.00 15.14 H new ATOM 1174 N ARG A 70 28.797 28.809 8.021 1.00 55.50 N ATOM 1175 CA ARG A 70 27.355 28.818 8.241 1.00 62.45 C ATOM 1176 C ARG A 70 27.032 28.773 9.731 1.00 21.22 C ATOM 1177 O ARG A 70 25.972 29.225 10.161 1.00 51.32 O ATOM 1178 CB ARG A 70 26.703 27.630 7.530 1.00 30.04 C ATOM 1179 CG ARG A 70 27.199 27.423 6.109 1.00 41.13 C ATOM 1180 CD ARG A 70 26.326 26.434 5.353 1.00 64.44 C ATOM 1181 NE ARG A 70 25.058 27.028 4.938 1.00 64.32 N ATOM 1182 CZ ARG A 70 24.030 26.321 4.482 1.00 11.13 C ATOM 1183 NH1 ARG A 70 24.119 25.002 4.384 1.00 21.12 N ATOM 1184 NH2 ARG A 70 22.909 26.934 4.124 1.00 12.14 N ATOM 0 H ARG A 70 29.162 27.932 7.650 1.00 55.50 H new ATOM 0 HA ARG A 70 26.955 29.744 7.829 1.00 62.45 H new ATOM 0 HB2 ARG A 70 26.891 26.725 8.107 1.00 30.04 H new ATOM 0 HB3 ARG A 70 25.623 27.777 7.511 1.00 30.04 H new ATOM 0 HG2 ARG A 70 27.209 28.378 5.583 1.00 41.13 H new ATOM 0 HG3 ARG A 70 28.227 27.061 6.130 1.00 41.13 H new ATOM 0 HD2 ARG A 70 26.862 26.075 4.475 1.00 64.44 H new ATOM 0 HD3 ARG A 70 26.131 25.567 5.984 1.00 64.44 H new ATOM 0 HE ARG A 70 24.956 28.041 5.002 1.00 64.32 H new ATOM 0 HH11 ARG A 70 24.979 24.527 4.659 1.00 21.12 H new ATOM 0 HH12 ARG A 70 23.328 24.462 4.033 1.00 21.12 H new ATOM 0 HH21 ARG A 70 22.836 27.949 4.199 1.00 12.14 H new ATOM 0 HH22 ARG A 70 22.120 26.391 3.774 1.00 12.14 H new ATOM 1198 N GLY A 71 27.954 28.223 10.515 1.00 24.33 N ATOM 1199 CA GLY A 71 27.749 28.128 11.949 1.00 52.22 C ATOM 1200 C GLY A 71 27.378 29.460 12.570 1.00 13.03 C ATOM 1201 O GLY A 71 26.685 29.508 13.586 1.00 62.50 O ATOM 0 H GLY A 71 28.840 27.841 10.183 1.00 24.33 H new ATOM 0 HA2 GLY A 71 26.961 27.403 12.153 1.00 52.22 H new ATOM 0 HA3 GLY A 71 28.658 27.752 12.419 1.00 52.22 H new ATOM 1205 N GLY A 72 27.841 30.546 11.959 1.00 3.35 N ATOM 1206 CA GLY A 72 27.545 31.870 12.474 1.00 10.35 C ATOM 1207 C GLY A 72 26.061 32.088 12.695 1.00 41.15 C ATOM 1208 O GLY A 72 25.664 32.880 13.549 1.00 60.32 O ATOM 0 H GLY A 72 28.416 30.533 11.117 1.00 3.35 H new ATOM 0 HA2 GLY A 72 28.075 32.017 13.415 1.00 10.35 H new ATOM 0 HA3 GLY A 72 27.919 32.620 11.777 1.00 10.35 H new ATOM 1212 N GLU A 73 25.240 31.385 11.921 1.00 41.14 N ATOM 1213 CA GLU A 73 23.792 31.508 12.034 1.00 14.34 C ATOM 1214 C GLU A 73 23.254 30.605 13.141 1.00 51.23 C ATOM 1215 O GLU A 73 22.440 31.028 13.961 1.00 54.13 O ATOM 1216 CB GLU A 73 23.122 31.158 10.704 1.00 34.31 C ATOM 1217 CG GLU A 73 23.851 31.710 9.491 1.00 23.30 C ATOM 1218 CD GLU A 73 23.882 33.226 9.469 1.00 60.45 C ATOM 1219 OE1 GLU A 73 22.974 33.847 10.060 1.00 64.23 O ATOM 1220 OE2 GLU A 73 24.815 33.790 8.859 1.00 13.45 O ATOM 0 H GLU A 73 25.553 30.725 11.209 1.00 41.14 H new ATOM 0 HA GLU A 73 23.560 32.542 12.288 1.00 14.34 H new ATOM 0 HB2 GLU A 73 23.055 30.074 10.615 1.00 34.31 H new ATOM 0 HB3 GLU A 73 22.101 31.541 10.709 1.00 34.31 H new ATOM 0 HG2 GLU A 73 24.872 31.329 9.481 1.00 23.30 H new ATOM 0 HG3 GLU A 73 23.367 31.347 8.584 1.00 23.30 H new ATOM 1227 N ALA A 74 23.716 29.359 13.156 1.00 55.11 N ATOM 1228 CA ALA A 74 23.283 28.396 14.161 1.00 11.42 C ATOM 1229 C ALA A 74 23.528 28.926 15.570 1.00 54.40 C ATOM 1230 O ALA A 74 22.854 28.528 16.521 1.00 71.12 O ATOM 1231 CB ALA A 74 23.999 27.069 13.963 1.00 31.40 C ATOM 0 H ALA A 74 24.390 28.993 12.484 1.00 55.11 H new ATOM 0 HA ALA A 74 22.211 28.239 14.041 1.00 11.42 H new ATOM 0 HB1 ALA A 74 23.666 26.359 14.720 1.00 31.40 H new ATOM 0 HB2 ALA A 74 23.770 26.676 12.972 1.00 31.40 H new ATOM 0 HB3 ALA A 74 25.075 27.219 14.054 1.00 31.40 H new ATOM 1237 N THR A 75 24.497 29.827 15.698 1.00 11.34 N ATOM 1238 CA THR A 75 24.832 30.411 16.991 1.00 32.53 C ATOM 1239 C THR A 75 23.707 31.306 17.498 1.00 4.14 C ATOM 1240 O THR A 75 23.218 31.134 18.615 1.00 73.11 O ATOM 1241 CB THR A 75 26.133 31.232 16.917 1.00 30.31 C ATOM 1242 OG1 THR A 75 26.962 30.741 15.858 1.00 50.35 O ATOM 1243 CG2 THR A 75 26.891 31.164 18.234 1.00 24.00 C ATOM 0 H THR A 75 25.064 30.168 14.922 1.00 11.34 H new ATOM 0 HA THR A 75 24.974 29.582 17.685 1.00 32.53 H new ATOM 0 HB THR A 75 25.870 32.271 16.720 1.00 30.31 H new ATOM 0 HG1 THR A 75 27.786 31.269 15.816 1.00 50.35 H new ATOM 0 HG21 THR A 75 27.806 31.751 18.158 1.00 24.00 H new ATOM 0 HG22 THR A 75 26.268 31.565 19.033 1.00 24.00 H new ATOM 0 HG23 THR A 75 27.143 30.127 18.456 1.00 24.00 H new ATOM 1251 N LYS A 76 23.301 32.263 16.671 1.00 12.12 N ATOM 1252 CA LYS A 76 22.232 33.186 17.034 1.00 32.23 C ATOM 1253 C LYS A 76 20.874 32.492 16.986 1.00 24.22 C ATOM 1254 O LYS A 76 19.964 32.833 17.743 1.00 61.13 O ATOM 1255 CB LYS A 76 22.232 34.394 16.095 1.00 2.23 C ATOM 1256 CG LYS A 76 23.598 35.039 15.935 1.00 51.23 C ATOM 1257 CD LYS A 76 24.109 35.598 17.252 1.00 22.31 C ATOM 1258 CE LYS A 76 25.315 36.501 17.044 1.00 22.11 C ATOM 1259 NZ LYS A 76 26.459 35.767 16.436 1.00 43.02 N ATOM 0 H LYS A 76 23.696 32.420 15.744 1.00 12.12 H new ATOM 0 HA LYS A 76 22.411 33.526 18.054 1.00 32.23 H new ATOM 0 HB2 LYS A 76 21.869 34.082 15.115 1.00 2.23 H new ATOM 0 HB3 LYS A 76 21.530 35.138 16.473 1.00 2.23 H new ATOM 0 HG2 LYS A 76 24.306 34.304 15.552 1.00 51.23 H new ATOM 0 HG3 LYS A 76 23.539 35.839 15.197 1.00 51.23 H new ATOM 0 HD2 LYS A 76 23.314 36.159 17.743 1.00 22.31 H new ATOM 0 HD3 LYS A 76 24.378 34.777 17.917 1.00 22.31 H new ATOM 0 HE2 LYS A 76 25.037 37.336 16.401 1.00 22.11 H new ATOM 0 HE3 LYS A 76 25.622 36.923 18.001 1.00 22.11 H new ATOM 0 HZ1 LYS A 76 27.288 36.394 16.388 1.00 43.02 H new ATOM 0 HZ2 LYS A 76 26.687 34.936 17.018 1.00 43.02 H new ATOM 0 HZ3 LYS A 76 26.203 35.458 15.476 1.00 43.02 H new ATOM 1273 N LEU A 77 20.745 31.516 16.094 1.00 3.10 N ATOM 1274 CA LEU A 77 19.499 30.772 15.949 1.00 52.34 C ATOM 1275 C LEU A 77 19.044 30.205 17.289 1.00 32.42 C ATOM 1276 O LEU A 77 17.849 30.020 17.525 1.00 65.04 O ATOM 1277 CB LEU A 77 19.673 29.640 14.935 1.00 30.20 C ATOM 1278 CG LEU A 77 19.534 30.029 13.463 1.00 42.41 C ATOM 1279 CD1 LEU A 77 19.800 28.830 12.566 1.00 1.31 C ATOM 1280 CD2 LEU A 77 18.152 30.605 13.191 1.00 33.45 C ATOM 0 H LEU A 77 21.488 31.222 15.460 1.00 3.10 H new ATOM 0 HA LEU A 77 18.734 31.460 15.589 1.00 52.34 H new ATOM 0 HB2 LEU A 77 20.658 29.197 15.081 1.00 30.20 H new ATOM 0 HB3 LEU A 77 18.939 28.865 15.156 1.00 30.20 H new ATOM 0 HG LEU A 77 20.275 30.796 13.239 1.00 42.41 H new ATOM 0 HD11 LEU A 77 19.696 29.126 11.522 1.00 1.31 H new ATOM 0 HD12 LEU A 77 20.811 28.463 12.740 1.00 1.31 H new ATOM 0 HD13 LEU A 77 19.083 28.041 12.792 1.00 1.31 H new ATOM 0 HD21 LEU A 77 18.072 30.876 12.138 1.00 33.45 H new ATOM 0 HD22 LEU A 77 17.393 29.861 13.433 1.00 33.45 H new ATOM 0 HD23 LEU A 77 18.000 31.491 13.807 1.00 33.45 H new ATOM 1292 N LYS A 78 20.004 29.931 18.166 1.00 14.35 N ATOM 1293 CA LYS A 78 19.703 29.388 19.486 1.00 51.13 C ATOM 1294 C LYS A 78 18.834 30.353 20.286 1.00 20.13 C ATOM 1295 O LYS A 78 18.029 29.934 21.119 1.00 64.02 O ATOM 1296 CB LYS A 78 20.998 29.099 20.248 1.00 30.21 C ATOM 1297 CG LYS A 78 21.606 30.327 20.903 1.00 53.21 C ATOM 1298 CD LYS A 78 23.051 30.087 21.306 1.00 33.35 C ATOM 1299 CE LYS A 78 23.149 29.513 22.712 1.00 51.22 C ATOM 1300 NZ LYS A 78 24.550 29.516 23.216 1.00 42.45 N ATOM 0 H LYS A 78 20.998 30.076 17.987 1.00 14.35 H new ATOM 0 HA LYS A 78 19.152 28.457 19.352 1.00 51.13 H new ATOM 0 HB2 LYS A 78 20.799 28.350 21.014 1.00 30.21 H new ATOM 0 HB3 LYS A 78 21.725 28.667 19.561 1.00 30.21 H new ATOM 0 HG2 LYS A 78 21.555 31.171 20.215 1.00 53.21 H new ATOM 0 HG3 LYS A 78 21.022 30.598 21.783 1.00 53.21 H new ATOM 0 HD2 LYS A 78 23.518 29.402 20.599 1.00 33.35 H new ATOM 0 HD3 LYS A 78 23.605 31.024 21.255 1.00 33.35 H new ATOM 0 HE2 LYS A 78 22.519 30.094 23.386 1.00 51.22 H new ATOM 0 HE3 LYS A 78 22.764 28.493 22.716 1.00 51.22 H new ATOM 0 HZ1 LYS A 78 24.574 29.117 24.176 1.00 42.45 H new ATOM 0 HZ2 LYS A 78 25.146 28.941 22.587 1.00 42.45 H new ATOM 0 HZ3 LYS A 78 24.909 30.492 23.237 1.00 42.45 H new ATOM 1314 N TYR A 79 19.001 31.645 20.028 1.00 13.22 N ATOM 1315 CA TYR A 79 18.232 32.669 20.726 1.00 41.24 C ATOM 1316 C TYR A 79 16.810 32.750 20.179 1.00 42.24 C ATOM 1317 O TYR A 79 15.884 33.157 20.880 1.00 1.34 O ATOM 1318 CB TYR A 79 18.919 34.030 20.595 1.00 60.31 C ATOM 1319 CG TYR A 79 20.234 34.118 21.336 1.00 62.44 C ATOM 1320 CD1 TYR A 79 21.417 33.689 20.745 1.00 54.45 C ATOM 1321 CD2 TYR A 79 20.295 34.628 22.626 1.00 34.24 C ATOM 1322 CE1 TYR A 79 22.621 33.767 21.418 1.00 54.05 C ATOM 1323 CE2 TYR A 79 21.494 34.711 23.306 1.00 22.43 C ATOM 1324 CZ TYR A 79 22.654 34.279 22.698 1.00 63.11 C ATOM 1325 OH TYR A 79 23.851 34.358 23.372 1.00 1.44 O ATOM 0 H TYR A 79 19.662 32.008 19.341 1.00 13.22 H new ATOM 0 HA TYR A 79 18.182 32.394 21.780 1.00 41.24 H new ATOM 0 HB2 TYR A 79 19.092 34.240 19.540 1.00 60.31 H new ATOM 0 HB3 TYR A 79 18.248 34.804 20.969 1.00 60.31 H new ATOM 0 HD1 TYR A 79 21.394 33.288 19.743 1.00 54.45 H new ATOM 0 HD2 TYR A 79 19.389 34.966 23.106 1.00 34.24 H new ATOM 0 HE1 TYR A 79 23.531 33.429 20.944 1.00 54.05 H new ATOM 0 HE2 TYR A 79 21.523 35.112 24.308 1.00 22.43 H new ATOM 0 HH TYR A 79 23.701 34.743 24.261 1.00 1.44 H new ATOM 1335 N LYS A 80 16.645 32.359 18.920 1.00 75.22 N ATOM 1336 CA LYS A 80 15.337 32.384 18.276 1.00 35.10 C ATOM 1337 C LYS A 80 14.559 31.106 18.573 1.00 21.42 C ATOM 1338 O LYS A 80 13.412 31.153 19.017 1.00 12.34 O ATOM 1339 CB LYS A 80 15.493 32.558 16.764 1.00 52.53 C ATOM 1340 CG LYS A 80 16.118 33.884 16.366 1.00 43.22 C ATOM 1341 CD LYS A 80 17.332 33.683 15.474 1.00 72.22 C ATOM 1342 CE LYS A 80 17.400 34.737 14.379 1.00 31.32 C ATOM 1343 NZ LYS A 80 17.393 36.117 14.937 1.00 15.33 N ATOM 0 H LYS A 80 17.401 32.021 18.325 1.00 75.22 H new ATOM 0 HA LYS A 80 14.779 33.230 18.678 1.00 35.10 H new ATOM 0 HB2 LYS A 80 16.106 31.745 16.374 1.00 52.53 H new ATOM 0 HB3 LYS A 80 14.513 32.472 16.294 1.00 52.53 H new ATOM 0 HG2 LYS A 80 15.380 34.494 15.845 1.00 43.22 H new ATOM 0 HG3 LYS A 80 16.410 34.433 17.261 1.00 43.22 H new ATOM 0 HD2 LYS A 80 18.239 33.725 16.077 1.00 72.22 H new ATOM 0 HD3 LYS A 80 17.294 32.691 15.024 1.00 72.22 H new ATOM 0 HE2 LYS A 80 18.304 34.589 13.788 1.00 31.32 H new ATOM 0 HE3 LYS A 80 16.553 34.614 13.703 1.00 31.32 H new ATOM 0 HZ1 LYS A 80 17.643 36.795 14.189 1.00 15.33 H new ATOM 0 HZ2 LYS A 80 16.445 36.339 15.303 1.00 15.33 H new ATOM 0 HZ3 LYS A 80 18.086 36.183 15.710 1.00 15.33 H new ATOM 1357 N LYS A 81 15.191 29.963 18.327 1.00 44.33 N ATOM 1358 CA LYS A 81 14.561 28.671 18.570 1.00 11.32 C ATOM 1359 C LYS A 81 15.567 27.673 19.133 1.00 31.54 C ATOM 1360 O LYS A 81 16.764 27.762 18.861 1.00 41.32 O ATOM 1361 CB LYS A 81 13.954 28.125 17.276 1.00 33.01 C ATOM 1362 CG LYS A 81 12.606 28.735 16.932 1.00 72.40 C ATOM 1363 CD LYS A 81 11.999 28.086 15.699 1.00 33.13 C ATOM 1364 CE LYS A 81 10.567 27.639 15.952 1.00 0.23 C ATOM 1365 NZ LYS A 81 10.150 26.558 15.017 1.00 31.24 N ATOM 0 H LYS A 81 16.141 29.906 17.959 1.00 44.33 H new ATOM 0 HA LYS A 81 13.768 28.814 19.304 1.00 11.32 H new ATOM 0 HB2 LYS A 81 14.646 28.308 16.454 1.00 33.01 H new ATOM 0 HB3 LYS A 81 13.842 27.044 17.365 1.00 33.01 H new ATOM 0 HG2 LYS A 81 11.927 28.619 17.777 1.00 72.40 H new ATOM 0 HG3 LYS A 81 12.723 29.805 16.761 1.00 72.40 H new ATOM 0 HD2 LYS A 81 12.020 28.791 14.868 1.00 33.13 H new ATOM 0 HD3 LYS A 81 12.602 27.228 15.404 1.00 33.13 H new ATOM 0 HE2 LYS A 81 10.473 27.287 16.979 1.00 0.23 H new ATOM 0 HE3 LYS A 81 9.896 28.491 15.844 1.00 0.23 H new ATOM 0 HZ1 LYS A 81 9.169 26.281 15.222 1.00 31.24 H new ATOM 0 HZ2 LYS A 81 10.216 26.902 14.038 1.00 31.24 H new ATOM 0 HZ3 LYS A 81 10.774 25.735 15.138 1.00 31.24 H new ATOM 1379 N ASP A 82 15.073 26.721 19.918 1.00 1.44 N ATOM 1380 CA ASP A 82 15.929 25.704 20.518 1.00 72.13 C ATOM 1381 C ASP A 82 16.185 24.564 19.537 1.00 24.43 C ATOM 1382 O ASP A 82 15.292 24.160 18.793 1.00 24.24 O ATOM 1383 CB ASP A 82 15.291 25.159 21.797 1.00 50.52 C ATOM 1384 CG ASP A 82 13.960 24.481 21.537 1.00 43.21 C ATOM 1385 OD1 ASP A 82 13.029 25.165 21.062 1.00 22.45 O ATOM 1386 OD2 ASP A 82 13.850 23.267 21.809 1.00 54.13 O ATOM 0 H ASP A 82 14.084 26.633 20.153 1.00 1.44 H new ATOM 0 HA ASP A 82 16.883 26.168 20.767 1.00 72.13 H new ATOM 0 HB2 ASP A 82 15.972 24.448 22.265 1.00 50.52 H new ATOM 0 HB3 ASP A 82 15.147 25.976 22.504 1.00 50.52 H new ATOM 1391 N GLU A 83 17.412 24.050 19.542 1.00 13.24 N ATOM 1392 CA GLU A 83 17.785 22.958 18.652 1.00 64.31 C ATOM 1393 C GLU A 83 17.412 21.609 19.259 1.00 21.54 C ATOM 1394 O GLU A 83 17.200 21.497 20.467 1.00 13.53 O ATOM 1395 CB GLU A 83 19.287 23.000 18.359 1.00 74.40 C ATOM 1396 CG GLU A 83 20.153 22.841 19.597 1.00 31.31 C ATOM 1397 CD GLU A 83 21.442 22.093 19.315 1.00 35.34 C ATOM 1398 OE1 GLU A 83 21.949 22.193 18.178 1.00 13.45 O ATOM 1399 OE2 GLU A 83 21.942 21.407 20.231 1.00 45.03 O ATOM 0 H GLU A 83 18.163 24.373 20.152 1.00 13.24 H new ATOM 0 HA GLU A 83 17.236 23.081 17.718 1.00 64.31 H new ATOM 0 HB2 GLU A 83 19.533 22.209 17.650 1.00 74.40 H new ATOM 0 HB3 GLU A 83 19.528 23.947 17.876 1.00 74.40 H new ATOM 0 HG2 GLU A 83 20.389 23.826 19.999 1.00 31.31 H new ATOM 0 HG3 GLU A 83 19.590 22.310 20.364 1.00 31.31 H new ATOM 1406 N ILE A 84 17.334 20.587 18.414 1.00 73.24 N ATOM 1407 CA ILE A 84 16.987 19.246 18.867 1.00 73.44 C ATOM 1408 C ILE A 84 18.068 18.240 18.486 1.00 72.22 C ATOM 1409 O ILE A 84 17.911 17.474 17.534 1.00 62.11 O ATOM 1410 CB ILE A 84 15.641 18.783 18.278 1.00 52.10 C ATOM 1411 CG1 ILE A 84 14.571 19.857 18.489 1.00 63.15 C ATOM 1412 CG2 ILE A 84 15.210 17.468 18.910 1.00 63.11 C ATOM 1413 CD1 ILE A 84 14.484 20.854 17.354 1.00 23.31 C ATOM 0 H ILE A 84 17.506 20.662 17.411 1.00 73.24 H new ATOM 0 HA ILE A 84 16.903 19.292 19.953 1.00 73.44 H new ATOM 0 HB ILE A 84 15.765 18.625 17.207 1.00 52.10 H new ATOM 0 HG12 ILE A 84 13.602 19.374 18.612 1.00 63.15 H new ATOM 0 HG13 ILE A 84 14.781 20.391 19.416 1.00 63.15 H new ATOM 0 HG21 ILE A 84 14.257 17.154 18.483 1.00 63.11 H new ATOM 0 HG22 ILE A 84 15.964 16.706 18.714 1.00 63.11 H new ATOM 0 HG23 ILE A 84 15.099 17.601 19.986 1.00 63.11 H new ATOM 0 HD11 ILE A 84 13.705 21.585 17.571 1.00 23.31 H new ATOM 0 HD12 ILE A 84 15.441 21.364 17.244 1.00 23.31 H new ATOM 0 HD13 ILE A 84 14.243 20.331 16.428 1.00 23.31 H new ATOM 1425 N LEU A 85 19.164 18.246 19.236 1.00 62.13 N ATOM 1426 CA LEU A 85 20.272 17.332 18.979 1.00 42.55 C ATOM 1427 C LEU A 85 20.523 16.428 20.181 1.00 12.21 C ATOM 1428 O LEU A 85 20.061 16.708 21.287 1.00 53.15 O ATOM 1429 CB LEU A 85 21.541 18.119 18.645 1.00 52.44 C ATOM 1430 CG LEU A 85 22.644 17.341 17.926 1.00 12.24 C ATOM 1431 CD1 LEU A 85 22.124 16.760 16.621 1.00 74.20 C ATOM 1432 CD2 LEU A 85 23.848 18.236 17.671 1.00 22.45 C ATOM 0 H LEU A 85 19.310 18.873 20.027 1.00 62.13 H new ATOM 0 HA LEU A 85 20.004 16.707 18.127 1.00 42.55 H new ATOM 0 HB2 LEU A 85 21.263 18.972 18.026 1.00 52.44 H new ATOM 0 HB3 LEU A 85 21.951 18.519 19.572 1.00 52.44 H new ATOM 0 HG LEU A 85 22.958 16.517 18.567 1.00 12.24 H new ATOM 0 HD11 LEU A 85 22.923 16.210 16.124 1.00 74.20 H new ATOM 0 HD12 LEU A 85 21.294 16.085 16.829 1.00 74.20 H new ATOM 0 HD13 LEU A 85 21.782 17.568 15.974 1.00 74.20 H new ATOM 0 HD21 LEU A 85 24.623 17.666 17.159 1.00 22.45 H new ATOM 0 HD22 LEU A 85 23.549 19.081 17.050 1.00 22.45 H new ATOM 0 HD23 LEU A 85 24.236 18.603 18.621 1.00 22.45 H new ATOM 1444 N GLU A 86 21.259 15.344 19.957 1.00 42.32 N ATOM 1445 CA GLU A 86 21.572 14.400 21.023 1.00 1.21 C ATOM 1446 C GLU A 86 22.940 14.698 21.630 1.00 43.44 C ATOM 1447 O GLU A 86 23.653 13.791 22.057 1.00 11.34 O ATOM 1448 CB GLU A 86 21.540 12.966 20.491 1.00 53.14 C ATOM 1449 CG GLU A 86 20.137 12.396 20.362 1.00 41.34 C ATOM 1450 CD GLU A 86 20.132 10.887 20.217 1.00 34.24 C ATOM 1451 OE1 GLU A 86 21.180 10.261 20.479 1.00 42.42 O ATOM 1452 OE2 GLU A 86 19.078 10.331 19.843 1.00 15.11 O ATOM 0 H GLU A 86 21.649 15.098 19.047 1.00 42.32 H new ATOM 0 HA GLU A 86 20.817 14.508 21.801 1.00 1.21 H new ATOM 0 HB2 GLU A 86 22.025 12.938 19.515 1.00 53.14 H new ATOM 0 HB3 GLU A 86 22.123 12.328 21.155 1.00 53.14 H new ATOM 0 HG2 GLU A 86 19.553 12.675 21.239 1.00 41.34 H new ATOM 0 HG3 GLU A 86 19.646 12.842 19.497 1.00 41.34 H new ATOM 1459 N GLY A 87 23.301 15.978 21.662 1.00 33.12 N ATOM 1460 CA GLY A 87 24.582 16.374 22.217 1.00 61.32 C ATOM 1461 C GLY A 87 25.742 15.632 21.583 1.00 21.43 C ATOM 1462 O GLY A 87 26.788 15.454 22.207 1.00 12.21 O ATOM 0 H GLY A 87 22.729 16.747 21.313 1.00 33.12 H new ATOM 0 HA2 GLY A 87 24.720 17.446 22.076 1.00 61.32 H new ATOM 0 HA3 GLY A 87 24.581 16.191 23.292 1.00 61.32 H new ATOM 1466 N GLU A 88 25.556 15.196 20.341 1.00 24.22 N ATOM 1467 CA GLU A 88 26.596 14.466 19.625 1.00 42.31 C ATOM 1468 C GLU A 88 27.918 15.227 19.662 1.00 44.45 C ATOM 1469 O GLU A 88 27.958 16.444 19.845 1.00 44.25 O ATOM 1470 CB GLU A 88 26.174 14.225 18.174 1.00 11.31 C ATOM 1471 CG GLU A 88 25.558 15.445 17.509 1.00 73.40 C ATOM 1472 CD GLU A 88 26.158 15.731 16.146 1.00 15.42 C ATOM 1473 OE1 GLU A 88 26.443 14.764 15.409 1.00 4.42 O ATOM 1474 OE2 GLU A 88 26.341 16.922 15.817 1.00 63.43 O ATOM 0 H GLU A 88 24.696 15.335 19.810 1.00 24.22 H new ATOM 0 HA GLU A 88 26.736 13.505 20.120 1.00 42.31 H new ATOM 0 HB2 GLU A 88 27.044 13.909 17.599 1.00 11.31 H new ATOM 0 HB3 GLU A 88 25.457 13.405 18.144 1.00 11.31 H new ATOM 0 HG2 GLU A 88 24.484 15.294 17.405 1.00 73.40 H new ATOM 0 HG3 GLU A 88 25.696 16.314 18.152 1.00 73.40 H new ATOM 1481 N PRO A 89 29.028 14.494 19.484 1.00 14.40 N ATOM 1482 CA PRO A 89 30.372 15.078 19.492 1.00 1.44 C ATOM 1483 C PRO A 89 30.634 15.949 18.268 1.00 15.12 C ATOM 1484 O PRO A 89 29.743 16.167 17.447 1.00 35.01 O ATOM 1485 CB PRO A 89 31.291 13.854 19.484 1.00 73.13 C ATOM 1486 CG PRO A 89 30.478 12.775 18.855 1.00 41.21 C ATOM 1487 CD PRO A 89 29.054 13.039 19.261 1.00 45.12 C ATOM 0 HA PRO A 89 30.524 15.737 20.347 1.00 1.44 H new ATOM 0 HB2 PRO A 89 32.201 14.046 18.916 1.00 73.13 H new ATOM 0 HB3 PRO A 89 31.597 13.582 20.494 1.00 73.13 H new ATOM 0 HG2 PRO A 89 30.583 12.789 17.770 1.00 41.21 H new ATOM 0 HG3 PRO A 89 30.805 11.792 19.194 1.00 41.21 H new ATOM 0 HD2 PRO A 89 28.352 12.739 18.483 1.00 45.12 H new ATOM 0 HD3 PRO A 89 28.785 12.489 20.163 1.00 45.12 H new ATOM 1495 N VAL A 90 31.861 16.445 18.151 1.00 25.44 N ATOM 1496 CA VAL A 90 32.241 17.291 17.026 1.00 33.41 C ATOM 1497 C VAL A 90 33.122 16.532 16.041 1.00 62.44 C ATOM 1498 O VAL A 90 34.119 15.922 16.427 1.00 33.33 O ATOM 1499 CB VAL A 90 32.987 18.552 17.499 1.00 53.42 C ATOM 1500 CG1 VAL A 90 33.223 19.501 16.334 1.00 52.33 C ATOM 1501 CG2 VAL A 90 32.213 19.243 18.611 1.00 15.23 C ATOM 0 H VAL A 90 32.610 16.275 18.822 1.00 25.44 H new ATOM 0 HA VAL A 90 31.318 17.589 16.528 1.00 33.41 H new ATOM 0 HB VAL A 90 33.957 18.252 17.895 1.00 53.42 H new ATOM 0 HG11 VAL A 90 33.751 20.386 16.687 1.00 52.33 H new ATOM 0 HG12 VAL A 90 33.822 19.001 15.573 1.00 52.33 H new ATOM 0 HG13 VAL A 90 32.265 19.797 15.906 1.00 52.33 H new ATOM 0 HG21 VAL A 90 32.755 20.132 18.933 1.00 15.23 H new ATOM 0 HG22 VAL A 90 31.228 19.531 18.244 1.00 15.23 H new ATOM 0 HG23 VAL A 90 32.101 18.561 19.454 1.00 15.23 H new ATOM 1511 N GLN A 91 32.748 16.574 14.766 1.00 50.40 N ATOM 1512 CA GLN A 91 33.505 15.890 13.725 1.00 62.03 C ATOM 1513 C GLN A 91 33.570 16.733 12.455 1.00 33.13 C ATOM 1514 O GLN A 91 32.541 17.144 11.920 1.00 12.31 O ATOM 1515 CB GLN A 91 32.875 14.530 13.417 1.00 44.42 C ATOM 1516 CG GLN A 91 31.416 14.616 12.998 1.00 5.53 C ATOM 1517 CD GLN A 91 30.541 13.614 13.724 1.00 0.01 C ATOM 1518 OE1 GLN A 91 29.525 13.976 14.319 1.00 24.41 O ATOM 1519 NE2 GLN A 91 30.931 12.345 13.679 1.00 54.32 N ATOM 0 H GLN A 91 31.925 17.075 14.430 1.00 50.40 H new ATOM 0 HA GLN A 91 34.521 15.738 14.090 1.00 62.03 H new ATOM 0 HB2 GLN A 91 33.444 14.047 12.623 1.00 44.42 H new ATOM 0 HB3 GLN A 91 32.954 13.894 14.299 1.00 44.42 H new ATOM 0 HG2 GLN A 91 31.045 15.623 13.190 1.00 5.53 H new ATOM 0 HG3 GLN A 91 31.340 14.448 11.924 1.00 5.53 H new ATOM 0 HE21 GLN A 91 31.780 12.090 13.174 1.00 54.32 H new ATOM 0 HE22 GLN A 91 30.382 11.626 14.149 1.00 54.32 H new ATOM 1528 N GLN A 92 34.785 16.986 11.980 1.00 72.10 N ATOM 1529 CA GLN A 92 34.983 17.781 10.774 1.00 75.02 C ATOM 1530 C GLN A 92 35.661 16.957 9.684 1.00 11.50 C ATOM 1531 O GLN A 92 36.361 15.987 9.971 1.00 20.42 O ATOM 1532 CB GLN A 92 35.820 19.022 11.087 1.00 13.23 C ATOM 1533 CG GLN A 92 35.250 19.873 12.211 1.00 32.41 C ATOM 1534 CD GLN A 92 36.059 19.769 13.489 1.00 51.51 C ATOM 1535 OE1 GLN A 92 36.191 18.691 14.068 1.00 22.02 O ATOM 1536 NE2 GLN A 92 36.606 20.894 13.936 1.00 72.10 N ATOM 0 H GLN A 92 35.647 16.652 12.412 1.00 72.10 H new ATOM 0 HA GLN A 92 34.004 18.094 10.411 1.00 75.02 H new ATOM 0 HB2 GLN A 92 36.830 18.711 11.354 1.00 13.23 H new ATOM 0 HB3 GLN A 92 35.902 19.631 10.187 1.00 13.23 H new ATOM 0 HG2 GLN A 92 35.215 20.914 11.891 1.00 32.41 H new ATOM 0 HG3 GLN A 92 34.223 19.566 12.409 1.00 32.41 H new ATOM 0 HE21 GLN A 92 36.471 21.766 13.424 1.00 72.10 H new ATOM 0 HE22 GLN A 92 37.161 20.886 14.791 1.00 72.10 H new ATOM 1545 N SER A 93 35.448 17.351 8.433 1.00 41.55 N ATOM 1546 CA SER A 93 36.036 16.647 7.299 1.00 33.00 C ATOM 1547 C SER A 93 35.730 15.154 7.369 1.00 32.05 C ATOM 1548 O SER A 93 34.643 14.752 7.783 1.00 64.11 O ATOM 1549 CB SER A 93 37.549 16.868 7.263 1.00 21.10 C ATOM 1550 OG SER A 93 38.049 16.763 5.941 1.00 35.00 O ATOM 0 H SER A 93 34.873 18.154 8.179 1.00 41.55 H new ATOM 0 HA SER A 93 35.596 17.048 6.386 1.00 33.00 H new ATOM 0 HB2 SER A 93 37.786 17.852 7.667 1.00 21.10 H new ATOM 0 HB3 SER A 93 38.042 16.134 7.901 1.00 21.10 H new ATOM 0 HG SER A 93 39.018 16.910 5.945 1.00 35.00 H new TER 1556 SER A 93