USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 849 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 29 GLN :FLIP amide:sc= -2.25! C(o=-7!,f=-2.4!) USER MOD Set 1.2: A 107 ASN : amide:sc= -0.11 X(o=-2.4,f=-2.4) USER MOD Set 2.1: A 40 LYS NZ :NH3+ 180:sc= -0.165 (180deg=1.14) USER MOD Set 2.2: A 42 ASN : amide:sc= -0.644 K(o=-0.77,f=-2) USER MOD Set 2.3: A 62 SER OG : rot -69:sc= 0.21 USER MOD Set 2.4: A 91 GLN :FLIP amide:sc= -0.168 F(o=-2!,f=-0.77) USER MOD Set 3.1: A 69 SER OG : rot -170:sc= 0.823 USER MOD Set 3.2: A 71 GLN : amide:sc= 2 K(o=4.9,f=-7.3!) USER MOD Set 3.3: A 87 LYS NZ :NH3+ -163:sc= 2.12 (180deg=0) USER MOD Set 4.1: A 27 THR OG1 : rot 77:sc= 1.05 USER MOD Set 4.2: A 74 MET CE :methyl 176:sc= -1.97 (180deg=-2) USER MOD Set 5.1: A 24 TYR OH : rot 180:sc= 0.207 USER MOD Set 5.2: A 49 ASN : amide:sc= 0.187 X(o=0.39,f=-0.03) USER MOD Set 6.1: A 3 LYS NZ :NH3+ -176:sc= 1.07 (180deg=1.01) USER MOD Set 6.2: A 5 THR OG1 : rot 105:sc= 1.25 USER MOD Set 6.3: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.209 (180deg=-0.241) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 157:sc= 0.0183 (180deg=-2.02) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc=-0.00422 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0252 USER MOD Single : A 17 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.12) USER MOD Single : A 18 TYR OH : rot 165:sc= -0.274 USER MOD Single : A 19 ASN : amide:sc= -0.332 K(o=-0.33,f=-6.1!) USER MOD Single : A 21 ASN : amide:sc= -0.0128 K(o=-0.013,f=-3.7!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 25 ASN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.047 K(o=-0.047,f=-0.56) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.13 F(o=-1,f=-0.13) USER MOD Single : A 35 GLN : amide:sc= -0.0739 X(o=-0.074,f=-0.057) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.655 USER MOD Single : A 39 TYR OH : rot 15:sc= 0.0809 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0.853 USER MOD Single : A 47 SER OG : rot 8:sc= 0.332 USER MOD Single : A 50 LYS NZ :NH3+ -121:sc= 1.07 (180deg=-0.303) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.686! C(o=-0.69!,f=-8.2!) USER MOD Single : A 54 THR OG1 : rot -31:sc= 0.186 USER MOD Single : A 60 SER OG : rot -149:sc= -0.364 USER MOD Single : A 64 SER OG : rot -11:sc= 0.166 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -153:sc= 0.989 (180deg=0.0763) USER MOD Single : A 76 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.17) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -89:sc= 1.2 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -2.02 K(o=-2,f=-4.4!) USER MOD Single : A 94 SER OG : rot -151:sc= 0.494 USER MOD Single : A 97 SER OG : rot -148:sc= 0.00664! USER MOD Single : A 98 SER OG : rot 67:sc= 1.2 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 1.26 K(o=1.3,f=-0.028) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HE2:sc= 0.209 K(o=0.21,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.770 -12.815 7.750 1.00 61.01 N ATOM 2 CA MET A 1 -9.088 -13.476 8.003 1.00 3.04 C ATOM 3 C MET A 1 -9.967 -12.520 8.780 1.00 62.13 C ATOM 4 O MET A 1 -11.135 -12.381 8.517 1.00 62.12 O ATOM 5 CB MET A 1 -8.895 -14.781 8.784 1.00 12.24 C ATOM 6 CG MET A 1 -10.187 -15.542 9.065 1.00 12.14 C ATOM 7 SD MET A 1 -9.894 -17.065 9.976 1.00 11.40 S ATOM 8 CE MET A 1 -11.564 -17.707 10.118 1.00 5.31 C ATOM 0 H1 MET A 1 -7.137 -13.479 7.261 1.00 61.01 H new ATOM 0 H2 MET A 1 -7.912 -11.972 7.158 1.00 61.01 H new ATOM 0 H3 MET A 1 -7.343 -12.533 8.656 1.00 61.01 H new ATOM 0 HA MET A 1 -9.562 -13.723 7.053 1.00 3.04 H new ATOM 0 HB2 MET A 1 -8.220 -15.429 8.225 1.00 12.24 H new ATOM 0 HB3 MET A 1 -8.407 -14.555 9.732 1.00 12.24 H new ATOM 0 HG2 MET A 1 -10.865 -14.906 9.633 1.00 12.14 H new ATOM 0 HG3 MET A 1 -10.682 -15.774 8.122 1.00 12.14 H new ATOM 0 HE1 MET A 1 -11.546 -18.652 10.661 1.00 5.31 H new ATOM 0 HE2 MET A 1 -12.185 -16.991 10.657 1.00 5.31 H new ATOM 0 HE3 MET A 1 -11.977 -17.869 9.123 1.00 5.31 H new ATOM 17 N ASP A 2 -9.319 -11.886 9.715 1.00 73.32 N ATOM 18 CA ASP A 2 -9.782 -10.823 10.601 1.00 23.31 C ATOM 19 C ASP A 2 -10.629 -9.736 9.883 1.00 13.51 C ATOM 20 O ASP A 2 -11.841 -9.807 9.865 1.00 64.41 O ATOM 21 CB ASP A 2 -8.490 -10.212 11.185 1.00 21.34 C ATOM 22 CG ASP A 2 -7.433 -10.039 10.070 1.00 34.11 C ATOM 23 OD1 ASP A 2 -6.823 -11.074 9.646 1.00 52.23 O ATOM 24 OD2 ASP A 2 -7.319 -8.935 9.509 1.00 23.50 O ATOM 0 H ASP A 2 -8.344 -12.117 9.907 1.00 73.32 H new ATOM 0 HA ASP A 2 -10.452 -11.226 11.361 1.00 23.31 H new ATOM 0 HB2 ASP A 2 -8.709 -9.247 11.642 1.00 21.34 H new ATOM 0 HB3 ASP A 2 -8.098 -10.856 11.972 1.00 21.34 H new ATOM 29 N LYS A 3 -9.969 -8.750 9.308 1.00 64.22 N ATOM 30 CA LYS A 3 -10.622 -7.697 8.560 1.00 2.20 C ATOM 31 C LYS A 3 -10.281 -7.866 7.095 1.00 53.52 C ATOM 32 O LYS A 3 -10.676 -7.073 6.253 1.00 14.35 O ATOM 33 CB LYS A 3 -10.173 -6.309 9.081 1.00 71.21 C ATOM 34 CG LYS A 3 -8.669 -6.037 8.972 1.00 13.15 C ATOM 35 CD LYS A 3 -8.285 -4.730 9.659 1.00 45.34 C ATOM 36 CE LYS A 3 -6.776 -4.475 9.591 1.00 33.00 C ATOM 37 NZ LYS A 3 -6.310 -4.182 8.214 1.00 53.23 N ATOM 0 H LYS A 3 -8.954 -8.658 9.348 1.00 64.22 H new ATOM 0 HA LYS A 3 -11.703 -7.761 8.688 1.00 2.20 H new ATOM 0 HB2 LYS A 3 -10.708 -5.538 8.527 1.00 71.21 H new ATOM 0 HB3 LYS A 3 -10.470 -6.215 10.126 1.00 71.21 H new ATOM 0 HG2 LYS A 3 -8.116 -6.862 9.422 1.00 13.15 H new ATOM 0 HG3 LYS A 3 -8.381 -5.995 7.922 1.00 13.15 H new ATOM 0 HD2 LYS A 3 -8.815 -3.902 9.188 1.00 45.34 H new ATOM 0 HD3 LYS A 3 -8.602 -4.760 10.701 1.00 45.34 H new ATOM 0 HE2 LYS A 3 -6.523 -3.639 10.242 1.00 33.00 H new ATOM 0 HE3 LYS A 3 -6.246 -5.348 9.972 1.00 33.00 H new ATOM 0 HZ1 LYS A 3 -5.275 -4.084 8.211 1.00 53.23 H new ATOM 0 HZ2 LYS A 3 -6.586 -4.960 7.581 1.00 53.23 H new ATOM 0 HZ3 LYS A 3 -6.742 -3.296 7.882 1.00 53.23 H new ATOM 51 N GLY A 4 -9.531 -8.923 6.819 1.00 32.53 N ATOM 52 CA GLY A 4 -9.137 -9.235 5.466 1.00 13.43 C ATOM 53 C GLY A 4 -7.633 -9.314 5.293 1.00 43.35 C ATOM 54 O GLY A 4 -7.143 -9.435 4.168 1.00 33.24 O ATOM 0 H GLY A 4 -9.186 -9.577 7.521 1.00 32.53 H new ATOM 0 HA2 GLY A 4 -9.582 -10.186 5.174 1.00 13.43 H new ATOM 0 HA3 GLY A 4 -9.536 -8.476 4.793 1.00 13.43 H new ATOM 58 N THR A 5 -6.902 -9.263 6.387 1.00 61.01 N ATOM 59 CA THR A 5 -5.449 -9.292 6.349 1.00 60.54 C ATOM 60 C THR A 5 -4.917 -10.743 6.150 1.00 13.32 C ATOM 61 O THR A 5 -5.547 -11.721 6.607 1.00 31.04 O ATOM 62 CB THR A 5 -4.906 -8.737 7.685 1.00 73.25 C ATOM 63 OG1 THR A 5 -5.637 -7.539 8.041 1.00 22.43 O ATOM 64 CG2 THR A 5 -3.424 -8.416 7.595 1.00 72.25 C ATOM 0 H THR A 5 -7.294 -9.200 7.327 1.00 61.01 H new ATOM 0 HA THR A 5 -5.112 -8.684 5.509 1.00 60.54 H new ATOM 0 HB THR A 5 -5.040 -9.503 8.449 1.00 73.25 H new ATOM 0 HG1 THR A 5 -6.269 -7.743 8.762 1.00 22.43 H new ATOM 0 HG21 THR A 5 -3.077 -8.028 8.553 1.00 72.25 H new ATOM 0 HG22 THR A 5 -2.870 -9.322 7.348 1.00 72.25 H new ATOM 0 HG23 THR A 5 -3.260 -7.668 6.820 1.00 72.25 H new ATOM 72 N GLN A 6 -3.818 -10.871 5.420 1.00 1.14 N ATOM 73 CA GLN A 6 -3.092 -12.116 5.256 1.00 35.23 C ATOM 74 C GLN A 6 -1.593 -11.830 5.325 1.00 10.14 C ATOM 75 O GLN A 6 -1.101 -10.855 4.741 1.00 11.34 O ATOM 76 CB GLN A 6 -3.417 -12.781 3.906 1.00 34.41 C ATOM 77 CG GLN A 6 -4.791 -13.413 3.808 1.00 75.02 C ATOM 78 CD GLN A 6 -5.085 -13.974 2.425 1.00 20.34 C ATOM 79 OE1 GLN A 6 -5.624 -13.286 1.552 1.00 21.45 O ATOM 80 NE2 GLN A 6 -4.737 -15.219 2.212 1.00 1.44 N ATOM 0 H GLN A 6 -3.399 -10.091 4.914 1.00 1.14 H new ATOM 0 HA GLN A 6 -3.391 -12.797 6.053 1.00 35.23 H new ATOM 0 HB2 GLN A 6 -3.323 -12.032 3.119 1.00 34.41 H new ATOM 0 HB3 GLN A 6 -2.668 -13.548 3.708 1.00 34.41 H new ATOM 0 HG2 GLN A 6 -4.871 -14.213 4.544 1.00 75.02 H new ATOM 0 HG3 GLN A 6 -5.547 -12.670 4.062 1.00 75.02 H new ATOM 0 HE21 GLN A 6 -4.294 -15.759 2.955 1.00 1.44 H new ATOM 0 HE22 GLN A 6 -4.909 -15.648 1.303 1.00 1.44 H new ATOM 89 N TYR A 7 -0.888 -12.668 6.024 1.00 23.00 N ATOM 90 CA TYR A 7 0.539 -12.560 6.172 1.00 24.12 C ATOM 91 C TYR A 7 1.200 -13.824 5.679 1.00 65.34 C ATOM 92 O TYR A 7 0.764 -14.917 6.034 1.00 62.44 O ATOM 93 CB TYR A 7 0.903 -12.298 7.653 1.00 52.23 C ATOM 94 CG TYR A 7 2.383 -12.444 7.973 1.00 73.30 C ATOM 95 CD1 TYR A 7 3.310 -11.516 7.533 1.00 50.01 C ATOM 96 CD2 TYR A 7 2.848 -13.537 8.703 1.00 35.21 C ATOM 97 CE1 TYR A 7 4.654 -11.665 7.812 1.00 5.45 C ATOM 98 CE2 TYR A 7 4.189 -13.692 8.982 1.00 40.12 C ATOM 99 CZ TYR A 7 5.088 -12.753 8.535 1.00 14.31 C ATOM 100 OH TYR A 7 6.428 -12.904 8.802 1.00 54.24 O ATOM 0 H TYR A 7 -1.293 -13.463 6.519 1.00 23.00 H new ATOM 0 HA TYR A 7 0.899 -11.721 5.576 1.00 24.12 H new ATOM 0 HB2 TYR A 7 0.584 -11.290 7.920 1.00 52.23 H new ATOM 0 HB3 TYR A 7 0.339 -12.988 8.280 1.00 52.23 H new ATOM 0 HD1 TYR A 7 2.977 -10.662 6.962 1.00 50.01 H new ATOM 0 HD2 TYR A 7 2.144 -14.276 9.057 1.00 35.21 H new ATOM 0 HE1 TYR A 7 5.364 -10.929 7.464 1.00 5.45 H new ATOM 0 HE2 TYR A 7 4.531 -14.546 9.548 1.00 40.12 H new ATOM 0 HH TYR A 7 6.568 -13.722 9.323 1.00 54.24 H new ATOM 110 N LYS A 8 2.216 -13.698 4.861 1.00 74.24 N ATOM 111 CA LYS A 8 2.973 -14.861 4.471 1.00 65.12 C ATOM 112 C LYS A 8 4.402 -14.449 4.173 1.00 2.12 C ATOM 113 O LYS A 8 4.622 -13.709 3.238 1.00 35.22 O ATOM 114 CB LYS A 8 2.385 -15.427 3.180 1.00 11.23 C ATOM 115 CG LYS A 8 3.062 -16.699 2.704 1.00 43.54 C ATOM 116 CD LYS A 8 2.727 -17.029 1.249 1.00 72.04 C ATOM 117 CE LYS A 8 3.144 -15.906 0.269 1.00 42.11 C ATOM 118 NZ LYS A 8 4.554 -15.466 0.439 1.00 3.03 N ATOM 0 H LYS A 8 2.534 -12.817 4.458 1.00 74.24 H new ATOM 0 HA LYS A 8 2.940 -15.598 5.274 1.00 65.12 H new ATOM 0 HB2 LYS A 8 1.324 -15.626 3.332 1.00 11.23 H new ATOM 0 HB3 LYS A 8 2.459 -14.672 2.397 1.00 11.23 H new ATOM 0 HG2 LYS A 8 4.142 -16.594 2.810 1.00 43.54 H new ATOM 0 HG3 LYS A 8 2.758 -17.529 3.341 1.00 43.54 H new ATOM 0 HD2 LYS A 8 3.227 -17.956 0.967 1.00 72.04 H new ATOM 0 HD3 LYS A 8 1.655 -17.205 1.158 1.00 72.04 H new ATOM 0 HE2 LYS A 8 3.001 -16.255 -0.754 1.00 42.11 H new ATOM 0 HE3 LYS A 8 2.485 -15.049 0.408 1.00 42.11 H new ATOM 0 HZ1 LYS A 8 4.890 -15.029 -0.443 1.00 3.03 H new ATOM 0 HZ2 LYS A 8 4.611 -14.773 1.212 1.00 3.03 H new ATOM 0 HZ3 LYS A 8 5.149 -16.288 0.667 1.00 3.03 H new ATOM 132 N ASP A 9 5.351 -14.954 4.962 1.00 60.21 N ATOM 133 CA ASP A 9 6.832 -14.787 4.747 1.00 63.51 C ATOM 134 C ASP A 9 7.293 -13.349 4.426 1.00 22.14 C ATOM 135 O ASP A 9 8.257 -13.149 3.717 1.00 73.21 O ATOM 136 CB ASP A 9 7.423 -15.822 3.738 1.00 51.21 C ATOM 137 CG ASP A 9 6.812 -15.808 2.351 1.00 64.41 C ATOM 138 OD1 ASP A 9 6.980 -14.837 1.592 1.00 3.52 O ATOM 139 OD2 ASP A 9 6.114 -16.785 1.996 1.00 55.20 O ATOM 0 H ASP A 9 5.132 -15.506 5.792 1.00 60.21 H new ATOM 0 HA ASP A 9 7.255 -15.005 5.728 1.00 63.51 H new ATOM 0 HB2 ASP A 9 8.494 -15.641 3.645 1.00 51.21 H new ATOM 0 HB3 ASP A 9 7.303 -16.821 4.158 1.00 51.21 H new ATOM 144 N GLY A 10 6.674 -12.362 5.044 1.00 11.13 N ATOM 145 CA GLY A 10 7.055 -10.987 4.781 1.00 44.54 C ATOM 146 C GLY A 10 6.169 -10.328 3.733 1.00 4.00 C ATOM 147 O GLY A 10 6.105 -9.089 3.643 1.00 63.24 O ATOM 0 H GLY A 10 5.919 -12.481 5.719 1.00 11.13 H new ATOM 0 HA2 GLY A 10 7.003 -10.415 5.708 1.00 44.54 H new ATOM 0 HA3 GLY A 10 8.092 -10.958 4.446 1.00 44.54 H new ATOM 151 N TYR A 11 5.490 -11.138 2.956 1.00 43.53 N ATOM 152 CA TYR A 11 4.585 -10.663 1.934 1.00 22.25 C ATOM 153 C TYR A 11 3.270 -10.331 2.609 1.00 31.44 C ATOM 154 O TYR A 11 2.735 -11.143 3.391 1.00 13.24 O ATOM 155 CB TYR A 11 4.399 -11.746 0.855 1.00 41.35 C ATOM 156 CG TYR A 11 3.711 -11.293 -0.420 1.00 71.23 C ATOM 157 CD1 TYR A 11 4.375 -10.493 -1.341 1.00 10.43 C ATOM 158 CD2 TYR A 11 2.416 -11.679 -0.716 1.00 21.42 C ATOM 159 CE1 TYR A 11 3.769 -10.088 -2.512 1.00 45.23 C ATOM 160 CE2 TYR A 11 1.805 -11.283 -1.893 1.00 52.24 C ATOM 161 CZ TYR A 11 2.487 -10.488 -2.783 1.00 34.22 C ATOM 162 OH TYR A 11 1.884 -10.099 -3.954 1.00 21.42 O ATOM 0 H TYR A 11 5.550 -12.155 3.015 1.00 43.53 H new ATOM 0 HA TYR A 11 4.981 -9.776 1.440 1.00 22.25 H new ATOM 0 HB2 TYR A 11 5.379 -12.146 0.595 1.00 41.35 H new ATOM 0 HB3 TYR A 11 3.824 -12.566 1.285 1.00 41.35 H new ATOM 0 HD1 TYR A 11 5.388 -10.181 -1.136 1.00 10.43 H new ATOM 0 HD2 TYR A 11 1.873 -12.299 -0.018 1.00 21.42 H new ATOM 0 HE1 TYR A 11 4.302 -9.460 -3.211 1.00 45.23 H new ATOM 0 HE2 TYR A 11 0.795 -11.598 -2.112 1.00 52.24 H new ATOM 0 HH TYR A 11 0.977 -10.468 -3.993 1.00 21.42 H new ATOM 172 N TYR A 12 2.768 -9.160 2.347 1.00 55.23 N ATOM 173 CA TYR A 12 1.581 -8.696 3.003 1.00 1.24 C ATOM 174 C TYR A 12 0.453 -8.564 1.995 1.00 2.24 C ATOM 175 O TYR A 12 0.615 -7.935 0.937 1.00 73.24 O ATOM 176 CB TYR A 12 1.864 -7.344 3.683 1.00 50.42 C ATOM 177 CG TYR A 12 0.768 -6.837 4.603 1.00 14.23 C ATOM 178 CD1 TYR A 12 -0.343 -6.176 4.101 1.00 13.30 C ATOM 179 CD2 TYR A 12 0.868 -6.993 5.983 1.00 40.22 C ATOM 180 CE1 TYR A 12 -1.319 -5.690 4.937 1.00 11.11 C ATOM 181 CE2 TYR A 12 -0.115 -6.510 6.828 1.00 51.33 C ATOM 182 CZ TYR A 12 -1.206 -5.857 6.295 1.00 2.44 C ATOM 183 OH TYR A 12 -2.192 -5.367 7.126 1.00 73.01 O ATOM 0 H TYR A 12 3.167 -8.503 1.677 1.00 55.23 H new ATOM 0 HA TYR A 12 1.279 -9.415 3.765 1.00 1.24 H new ATOM 0 HB2 TYR A 12 2.786 -7.431 4.258 1.00 50.42 H new ATOM 0 HB3 TYR A 12 2.040 -6.597 2.909 1.00 50.42 H new ATOM 0 HD1 TYR A 12 -0.443 -6.041 3.034 1.00 13.30 H new ATOM 0 HD2 TYR A 12 1.726 -7.499 6.400 1.00 40.22 H new ATOM 0 HE1 TYR A 12 -2.175 -5.176 4.526 1.00 11.11 H new ATOM 0 HE2 TYR A 12 -0.029 -6.643 7.896 1.00 51.33 H new ATOM 0 HH TYR A 12 -1.964 -5.567 8.058 1.00 73.01 H new ATOM 193 N ILE A 13 -0.662 -9.163 2.314 1.00 11.24 N ATOM 194 CA ILE A 13 -1.848 -9.099 1.499 1.00 71.44 C ATOM 195 C ILE A 13 -2.978 -8.655 2.405 1.00 61.13 C ATOM 196 O ILE A 13 -3.058 -9.100 3.536 1.00 73.30 O ATOM 197 CB ILE A 13 -2.218 -10.500 0.914 1.00 31.23 C ATOM 198 CG1 ILE A 13 -1.043 -11.110 0.146 1.00 61.12 C ATOM 199 CG2 ILE A 13 -3.450 -10.408 0.010 1.00 13.34 C ATOM 200 CD1 ILE A 13 -1.287 -12.533 -0.327 1.00 75.43 C ATOM 0 H ILE A 13 -0.775 -9.719 3.162 1.00 11.24 H new ATOM 0 HA ILE A 13 -1.680 -8.416 0.666 1.00 71.44 H new ATOM 0 HB ILE A 13 -2.452 -11.153 1.755 1.00 31.23 H new ATOM 0 HG12 ILE A 13 -0.822 -10.483 -0.718 1.00 61.12 H new ATOM 0 HG13 ILE A 13 -0.159 -11.096 0.784 1.00 61.12 H new ATOM 0 HG21 ILE A 13 -3.687 -11.396 -0.384 1.00 13.34 H new ATOM 0 HG22 ILE A 13 -4.297 -10.035 0.586 1.00 13.34 H new ATOM 0 HG23 ILE A 13 -3.245 -9.727 -0.816 1.00 13.34 H new ATOM 0 HD11 ILE A 13 -0.409 -12.894 -0.862 1.00 75.43 H new ATOM 0 HD12 ILE A 13 -1.477 -13.175 0.533 1.00 75.43 H new ATOM 0 HD13 ILE A 13 -2.151 -12.552 -0.992 1.00 75.43 H new ATOM 212 N THR A 14 -3.797 -7.764 1.965 1.00 72.10 N ATOM 213 CA THR A 14 -4.921 -7.391 2.754 1.00 51.24 C ATOM 214 C THR A 14 -6.085 -7.030 1.863 1.00 42.24 C ATOM 215 O THR A 14 -5.934 -6.366 0.846 1.00 12.31 O ATOM 216 CB THR A 14 -4.593 -6.240 3.761 1.00 2.21 C ATOM 217 OG1 THR A 14 -5.694 -6.004 4.668 1.00 3.45 O ATOM 218 CG2 THR A 14 -4.262 -4.953 3.035 1.00 51.03 C ATOM 0 H THR A 14 -3.712 -7.282 1.070 1.00 72.10 H new ATOM 0 HA THR A 14 -5.198 -8.254 3.360 1.00 51.24 H new ATOM 0 HB THR A 14 -3.723 -6.560 4.334 1.00 2.21 H new ATOM 0 HG1 THR A 14 -5.459 -5.281 5.286 1.00 3.45 H new ATOM 0 HG21 THR A 14 -4.039 -4.172 3.762 1.00 51.03 H new ATOM 0 HG22 THR A 14 -3.395 -5.110 2.393 1.00 51.03 H new ATOM 0 HG23 THR A 14 -5.114 -4.649 2.426 1.00 51.03 H new ATOM 226 N THR A 15 -7.195 -7.525 2.209 1.00 13.23 N ATOM 227 CA THR A 15 -8.412 -7.230 1.543 1.00 65.24 C ATOM 228 C THR A 15 -9.135 -6.259 2.429 1.00 11.21 C ATOM 229 O THR A 15 -9.349 -6.548 3.594 1.00 11.45 O ATOM 230 CB THR A 15 -9.248 -8.509 1.409 1.00 22.15 C ATOM 231 OG1 THR A 15 -8.404 -9.557 0.915 1.00 14.51 O ATOM 232 CG2 THR A 15 -10.406 -8.303 0.440 1.00 52.23 C ATOM 0 H THR A 15 -7.300 -8.172 2.991 1.00 13.23 H new ATOM 0 HA THR A 15 -8.239 -6.825 0.546 1.00 65.24 H new ATOM 0 HB THR A 15 -9.657 -8.769 2.385 1.00 22.15 H new ATOM 0 HG1 THR A 15 -8.925 -10.382 0.826 1.00 14.51 H new ATOM 0 HG21 THR A 15 -10.984 -9.224 0.362 1.00 52.23 H new ATOM 0 HG22 THR A 15 -11.048 -7.502 0.806 1.00 52.23 H new ATOM 0 HG23 THR A 15 -10.016 -8.036 -0.542 1.00 52.23 H new ATOM 240 N LEU A 16 -9.449 -5.113 1.929 1.00 74.52 N ATOM 241 CA LEU A 16 -10.103 -4.143 2.733 1.00 5.00 C ATOM 242 C LEU A 16 -11.312 -3.572 2.080 1.00 12.24 C ATOM 243 O LEU A 16 -11.363 -3.384 0.859 1.00 12.42 O ATOM 244 CB LEU A 16 -9.134 -3.067 3.177 1.00 52.10 C ATOM 245 CG LEU A 16 -8.207 -3.454 4.354 1.00 24.04 C ATOM 246 CD1 LEU A 16 -7.177 -2.385 4.631 1.00 52.31 C ATOM 247 CD2 LEU A 16 -9.014 -3.734 5.618 1.00 51.41 C ATOM 0 H LEU A 16 -9.263 -4.826 0.968 1.00 74.52 H new ATOM 0 HA LEU A 16 -10.463 -4.657 3.624 1.00 5.00 H new ATOM 0 HB2 LEU A 16 -8.514 -2.786 2.326 1.00 52.10 H new ATOM 0 HB3 LEU A 16 -9.704 -2.183 3.461 1.00 52.10 H new ATOM 0 HG LEU A 16 -7.683 -4.363 4.059 1.00 24.04 H new ATOM 0 HD11 LEU A 16 -6.546 -2.695 5.464 1.00 52.31 H new ATOM 0 HD12 LEU A 16 -6.560 -2.236 3.745 1.00 52.31 H new ATOM 0 HD13 LEU A 16 -7.680 -1.452 4.884 1.00 52.31 H new ATOM 0 HD21 LEU A 16 -8.338 -4.004 6.429 1.00 51.41 H new ATOM 0 HD22 LEU A 16 -9.576 -2.843 5.896 1.00 51.41 H new ATOM 0 HD23 LEU A 16 -9.705 -4.556 5.434 1.00 51.41 H new ATOM 259 N ASN A 17 -12.289 -3.301 2.897 1.00 52.24 N ATOM 260 CA ASN A 17 -13.544 -2.765 2.451 1.00 44.44 C ATOM 261 C ASN A 17 -13.497 -1.259 2.282 1.00 74.53 C ATOM 262 O ASN A 17 -14.020 -0.499 3.076 1.00 10.45 O ATOM 263 CB ASN A 17 -14.745 -3.245 3.310 1.00 64.32 C ATOM 264 CG ASN A 17 -14.517 -3.146 4.820 1.00 4.11 C ATOM 265 OD1 ASN A 17 -14.784 -2.141 5.450 1.00 11.21 O ATOM 266 ND2 ASN A 17 -14.032 -4.221 5.414 1.00 31.33 N ATOM 0 H ASN A 17 -12.236 -3.448 3.905 1.00 52.24 H new ATOM 0 HA ASN A 17 -13.718 -3.176 1.456 1.00 44.44 H new ATOM 0 HB2 ASN A 17 -15.623 -2.656 3.047 1.00 64.32 H new ATOM 0 HB3 ASN A 17 -14.968 -4.281 3.055 1.00 64.32 H new ATOM 0 HD21 ASN A 17 -13.874 -4.219 6.422 1.00 31.33 H new ATOM 0 HD22 ASN A 17 -13.815 -5.053 4.865 1.00 31.33 H new ATOM 273 N TYR A 18 -12.743 -0.856 1.302 1.00 22.23 N ATOM 274 CA TYR A 18 -12.706 0.512 0.868 1.00 35.12 C ATOM 275 C TYR A 18 -12.704 0.587 -0.635 1.00 64.53 C ATOM 276 O TYR A 18 -12.264 -0.350 -1.308 1.00 72.24 O ATOM 277 CB TYR A 18 -11.549 1.336 1.488 1.00 53.52 C ATOM 278 CG TYR A 18 -10.170 0.696 1.538 1.00 33.30 C ATOM 279 CD1 TYR A 18 -9.624 0.031 0.453 1.00 54.24 C ATOM 280 CD2 TYR A 18 -9.396 0.813 2.683 1.00 14.10 C ATOM 281 CE1 TYR A 18 -8.356 -0.503 0.511 1.00 62.14 C ATOM 282 CE2 TYR A 18 -8.133 0.283 2.748 1.00 51.13 C ATOM 283 CZ TYR A 18 -7.615 -0.373 1.657 1.00 51.42 C ATOM 284 OH TYR A 18 -6.350 -0.907 1.718 1.00 45.23 O ATOM 0 H TYR A 18 -12.128 -1.475 0.774 1.00 22.23 H new ATOM 0 HA TYR A 18 -13.617 0.980 1.242 1.00 35.12 H new ATOM 0 HB2 TYR A 18 -11.465 2.269 0.930 1.00 53.52 H new ATOM 0 HB3 TYR A 18 -11.833 1.599 2.507 1.00 53.52 H new ATOM 0 HD1 TYR A 18 -10.202 -0.071 -0.454 1.00 54.24 H new ATOM 0 HD2 TYR A 18 -9.796 1.332 3.541 1.00 14.10 H new ATOM 0 HE1 TYR A 18 -7.947 -1.022 -0.343 1.00 62.14 H new ATOM 0 HE2 TYR A 18 -7.549 0.380 3.651 1.00 51.13 H new ATOM 0 HH TYR A 18 -5.875 -0.535 2.490 1.00 45.23 H new ATOM 294 N ASN A 19 -13.169 1.693 -1.151 1.00 34.44 N ATOM 295 CA ASN A 19 -13.282 1.887 -2.579 1.00 22.11 C ATOM 296 C ASN A 19 -11.934 2.290 -3.154 1.00 25.11 C ATOM 297 O ASN A 19 -11.207 3.105 -2.568 1.00 73.11 O ATOM 298 CB ASN A 19 -14.397 2.916 -2.910 1.00 2.05 C ATOM 299 CG ASN A 19 -14.745 3.040 -4.410 1.00 54.34 C ATOM 300 OD1 ASN A 19 -13.899 2.915 -5.297 1.00 44.21 O ATOM 301 ND2 ASN A 19 -16.008 3.252 -4.698 1.00 35.43 N ATOM 0 H ASN A 19 -13.482 2.489 -0.595 1.00 34.44 H new ATOM 0 HA ASN A 19 -13.574 0.948 -3.048 1.00 22.11 H new ATOM 0 HB2 ASN A 19 -15.299 2.640 -2.365 1.00 2.05 H new ATOM 0 HB3 ASN A 19 -14.089 3.894 -2.542 1.00 2.05 H new ATOM 0 HD21 ASN A 19 -16.305 3.316 -5.672 1.00 35.43 H new ATOM 0 HD22 ASN A 19 -16.692 3.353 -3.948 1.00 35.43 H new ATOM 308 N PHE A 20 -11.613 1.684 -4.266 1.00 22.32 N ATOM 309 CA PHE A 20 -10.365 1.847 -4.990 1.00 74.32 C ATOM 310 C PHE A 20 -9.949 3.322 -5.227 1.00 31.03 C ATOM 311 O PHE A 20 -8.755 3.646 -5.188 1.00 24.34 O ATOM 312 CB PHE A 20 -10.479 1.048 -6.298 1.00 21.50 C ATOM 313 CG PHE A 20 -9.453 1.337 -7.344 1.00 52.13 C ATOM 314 CD1 PHE A 20 -8.196 0.782 -7.269 1.00 53.41 C ATOM 315 CD2 PHE A 20 -9.761 2.158 -8.421 1.00 74.13 C ATOM 316 CE1 PHE A 20 -7.265 1.039 -8.240 1.00 61.42 C ATOM 317 CE2 PHE A 20 -8.830 2.420 -9.396 1.00 21.04 C ATOM 318 CZ PHE A 20 -7.580 1.861 -9.308 1.00 35.25 C ATOM 0 H PHE A 20 -12.245 1.026 -4.722 1.00 22.32 H new ATOM 0 HA PHE A 20 -9.554 1.458 -4.374 1.00 74.32 H new ATOM 0 HB2 PHE A 20 -10.430 -0.014 -6.055 1.00 21.50 H new ATOM 0 HB3 PHE A 20 -11.464 1.232 -6.726 1.00 21.50 H new ATOM 0 HD1 PHE A 20 -7.942 0.139 -6.439 1.00 53.41 H new ATOM 0 HD2 PHE A 20 -10.746 2.596 -8.493 1.00 74.13 H new ATOM 0 HE1 PHE A 20 -6.281 0.599 -8.172 1.00 61.42 H new ATOM 0 HE2 PHE A 20 -9.080 3.062 -10.227 1.00 21.04 H new ATOM 0 HZ PHE A 20 -6.843 2.062 -10.071 1.00 35.25 H new ATOM 328 N ASN A 21 -10.911 4.206 -5.414 1.00 30.42 N ATOM 329 CA ASN A 21 -10.588 5.610 -5.689 1.00 31.32 C ATOM 330 C ASN A 21 -9.940 6.301 -4.467 1.00 44.12 C ATOM 331 O ASN A 21 -8.907 6.965 -4.591 1.00 35.24 O ATOM 332 CB ASN A 21 -11.824 6.411 -6.199 1.00 62.11 C ATOM 333 CG ASN A 21 -12.941 6.616 -5.167 1.00 41.22 C ATOM 334 OD1 ASN A 21 -13.145 5.806 -4.267 1.00 42.32 O ATOM 335 ND2 ASN A 21 -13.671 7.698 -5.298 1.00 60.52 N ATOM 0 H ASN A 21 -11.908 3.992 -5.383 1.00 30.42 H new ATOM 0 HA ASN A 21 -9.853 5.606 -6.494 1.00 31.32 H new ATOM 0 HB2 ASN A 21 -11.486 7.388 -6.544 1.00 62.11 H new ATOM 0 HB3 ASN A 21 -12.240 5.894 -7.064 1.00 62.11 H new ATOM 0 HD21 ASN A 21 -14.430 7.883 -4.643 1.00 60.52 H new ATOM 0 HD22 ASN A 21 -13.479 8.354 -6.055 1.00 60.52 H new ATOM 342 N THR A 22 -10.535 6.127 -3.305 1.00 23.14 N ATOM 343 CA THR A 22 -10.050 6.746 -2.095 1.00 42.14 C ATOM 344 C THR A 22 -8.725 6.125 -1.608 1.00 50.14 C ATOM 345 O THR A 22 -7.832 6.844 -1.126 1.00 14.44 O ATOM 346 CB THR A 22 -11.149 6.815 -0.973 1.00 3.40 C ATOM 347 OG1 THR A 22 -10.636 7.406 0.224 1.00 12.23 O ATOM 348 CG2 THR A 22 -11.735 5.451 -0.655 1.00 44.22 C ATOM 0 H THR A 22 -11.368 5.552 -3.176 1.00 23.14 H new ATOM 0 HA THR A 22 -9.819 7.781 -2.346 1.00 42.14 H new ATOM 0 HB THR A 22 -11.947 7.443 -1.368 1.00 3.40 H new ATOM 0 HG1 THR A 22 -11.342 7.437 0.903 1.00 12.23 H new ATOM 0 HG21 THR A 22 -12.489 5.552 0.126 1.00 44.22 H new ATOM 0 HG22 THR A 22 -12.194 5.034 -1.551 1.00 44.22 H new ATOM 0 HG23 THR A 22 -10.943 4.786 -0.311 1.00 44.22 H new ATOM 356 N VAL A 23 -8.579 4.812 -1.765 1.00 75.15 N ATOM 357 CA VAL A 23 -7.368 4.126 -1.324 1.00 61.52 C ATOM 358 C VAL A 23 -6.132 4.536 -2.124 1.00 14.15 C ATOM 359 O VAL A 23 -5.027 4.640 -1.550 1.00 34.20 O ATOM 360 CB VAL A 23 -7.532 2.574 -1.203 1.00 32.02 C ATOM 361 CG1 VAL A 23 -8.084 1.971 -2.454 1.00 54.54 C ATOM 362 CG2 VAL A 23 -6.223 1.896 -0.832 1.00 4.12 C ATOM 0 H VAL A 23 -9.279 4.205 -2.191 1.00 75.15 H new ATOM 0 HA VAL A 23 -7.197 4.471 -0.304 1.00 61.52 H new ATOM 0 HB VAL A 23 -8.248 2.404 -0.399 1.00 32.02 H new ATOM 0 HG11 VAL A 23 -8.181 0.893 -2.326 1.00 54.54 H new ATOM 0 HG12 VAL A 23 -9.063 2.401 -2.664 1.00 54.54 H new ATOM 0 HG13 VAL A 23 -7.411 2.178 -3.286 1.00 54.54 H new ATOM 0 HG21 VAL A 23 -6.379 0.820 -0.758 1.00 4.12 H new ATOM 0 HG22 VAL A 23 -5.476 2.102 -1.599 1.00 4.12 H new ATOM 0 HG23 VAL A 23 -5.874 2.279 0.127 1.00 4.12 H new ATOM 372 N TYR A 24 -6.311 4.807 -3.419 1.00 13.11 N ATOM 373 CA TYR A 24 -5.211 5.277 -4.260 1.00 32.50 C ATOM 374 C TYR A 24 -4.595 6.536 -3.646 1.00 32.14 C ATOM 375 O TYR A 24 -3.375 6.636 -3.487 1.00 2.52 O ATOM 376 CB TYR A 24 -5.708 5.564 -5.694 1.00 44.34 C ATOM 377 CG TYR A 24 -4.631 6.090 -6.638 1.00 52.35 C ATOM 378 CD1 TYR A 24 -3.710 5.233 -7.215 1.00 53.10 C ATOM 379 CD2 TYR A 24 -4.533 7.448 -6.939 1.00 74.24 C ATOM 380 CE1 TYR A 24 -2.724 5.700 -8.066 1.00 1.43 C ATOM 381 CE2 TYR A 24 -3.547 7.925 -7.785 1.00 51.34 C ATOM 382 CZ TYR A 24 -2.645 7.047 -8.348 1.00 61.40 C ATOM 383 OH TYR A 24 -1.647 7.522 -9.184 1.00 11.35 O ATOM 0 H TYR A 24 -7.203 4.709 -3.905 1.00 13.11 H new ATOM 0 HA TYR A 24 -4.450 4.498 -4.314 1.00 32.50 H new ATOM 0 HB2 TYR A 24 -6.125 4.648 -6.112 1.00 44.34 H new ATOM 0 HB3 TYR A 24 -6.519 6.290 -5.646 1.00 44.34 H new ATOM 0 HD1 TYR A 24 -3.762 4.177 -6.996 1.00 53.10 H new ATOM 0 HD2 TYR A 24 -5.239 8.140 -6.504 1.00 74.24 H new ATOM 0 HE1 TYR A 24 -2.019 5.012 -8.508 1.00 1.43 H new ATOM 0 HE2 TYR A 24 -3.484 8.981 -8.003 1.00 51.34 H new ATOM 0 HH TYR A 24 -1.735 8.493 -9.279 1.00 11.35 H new ATOM 393 N ASN A 25 -5.462 7.456 -3.245 1.00 43.11 N ATOM 394 CA ASN A 25 -5.042 8.711 -2.620 1.00 13.21 C ATOM 395 C ASN A 25 -4.403 8.455 -1.277 1.00 0.24 C ATOM 396 O ASN A 25 -3.307 8.930 -0.989 1.00 40.54 O ATOM 397 CB ASN A 25 -6.248 9.628 -2.412 1.00 10.52 C ATOM 398 CG ASN A 25 -5.869 10.995 -1.824 1.00 12.40 C ATOM 399 OD1 ASN A 25 -5.539 11.917 -2.547 1.00 44.22 O ATOM 400 ND2 ASN A 25 -5.949 11.136 -0.513 1.00 70.41 N ATOM 0 H ASN A 25 -6.473 7.358 -3.341 1.00 43.11 H new ATOM 0 HA ASN A 25 -4.319 9.185 -3.284 1.00 13.21 H new ATOM 0 HB2 ASN A 25 -6.753 9.777 -3.366 1.00 10.52 H new ATOM 0 HB3 ASN A 25 -6.960 9.138 -1.748 1.00 10.52 H new ATOM 0 HD21 ASN A 25 -5.732 12.035 -0.083 1.00 70.41 H new ATOM 0 HD22 ASN A 25 -6.228 10.346 0.069 1.00 70.41 H new ATOM 407 N ALA A 26 -5.089 7.679 -0.471 1.00 73.21 N ATOM 408 CA ALA A 26 -4.665 7.413 0.900 1.00 73.05 C ATOM 409 C ALA A 26 -3.305 6.716 1.007 1.00 44.21 C ATOM 410 O ALA A 26 -2.499 7.071 1.862 1.00 64.11 O ATOM 411 CB ALA A 26 -5.739 6.692 1.702 1.00 2.10 C ATOM 0 H ALA A 26 -5.955 7.211 -0.738 1.00 73.21 H new ATOM 0 HA ALA A 26 -4.522 8.395 1.351 1.00 73.05 H new ATOM 0 HB1 ALA A 26 -5.379 6.515 2.716 1.00 2.10 H new ATOM 0 HB2 ALA A 26 -6.639 7.305 1.738 1.00 2.10 H new ATOM 0 HB3 ALA A 26 -5.969 5.738 1.227 1.00 2.10 H new ATOM 417 N THR A 27 -3.061 5.756 0.154 1.00 22.31 N ATOM 418 CA THR A 27 -1.782 5.068 0.130 1.00 63.43 C ATOM 419 C THR A 27 -0.680 6.042 -0.298 1.00 2.24 C ATOM 420 O THR A 27 0.391 6.113 0.318 1.00 44.34 O ATOM 421 CB THR A 27 -1.826 3.893 -0.861 1.00 74.32 C ATOM 422 OG1 THR A 27 -2.960 3.058 -0.570 1.00 64.31 O ATOM 423 CG2 THR A 27 -0.545 3.067 -0.788 1.00 34.22 C ATOM 0 H THR A 27 -3.731 5.426 -0.540 1.00 22.31 H new ATOM 0 HA THR A 27 -1.573 4.687 1.130 1.00 63.43 H new ATOM 0 HB THR A 27 -1.916 4.296 -1.870 1.00 74.32 H new ATOM 0 HG1 THR A 27 -3.775 3.482 -0.911 1.00 64.31 H new ATOM 0 HG21 THR A 27 -0.603 2.243 -1.499 1.00 34.22 H new ATOM 0 HG22 THR A 27 0.309 3.698 -1.033 1.00 34.22 H new ATOM 0 HG23 THR A 27 -0.425 2.669 0.220 1.00 34.22 H new ATOM 431 N LEU A 28 -0.985 6.814 -1.325 1.00 31.42 N ATOM 432 CA LEU A 28 -0.072 7.779 -1.883 1.00 1.12 C ATOM 433 C LEU A 28 0.333 8.838 -0.852 1.00 25.40 C ATOM 434 O LEU A 28 1.525 9.061 -0.617 1.00 73.14 O ATOM 435 CB LEU A 28 -0.732 8.451 -3.087 1.00 11.03 C ATOM 436 CG LEU A 28 0.032 9.602 -3.712 1.00 72.43 C ATOM 437 CD1 LEU A 28 1.356 9.123 -4.304 1.00 13.52 C ATOM 438 CD2 LEU A 28 -0.813 10.302 -4.763 1.00 21.03 C ATOM 0 H LEU A 28 -1.888 6.783 -1.798 1.00 31.42 H new ATOM 0 HA LEU A 28 0.834 7.258 -2.191 1.00 1.12 H new ATOM 0 HB2 LEU A 28 -0.899 7.694 -3.853 1.00 11.03 H new ATOM 0 HB3 LEU A 28 -1.712 8.816 -2.781 1.00 11.03 H new ATOM 0 HG LEU A 28 0.259 10.323 -2.926 1.00 72.43 H new ATOM 0 HD11 LEU A 28 1.884 9.968 -4.746 1.00 13.52 H new ATOM 0 HD12 LEU A 28 1.969 8.684 -3.517 1.00 13.52 H new ATOM 0 HD13 LEU A 28 1.161 8.375 -5.072 1.00 13.52 H new ATOM 0 HD21 LEU A 28 -0.245 11.124 -5.198 1.00 21.03 H new ATOM 0 HD22 LEU A 28 -1.082 9.592 -5.546 1.00 21.03 H new ATOM 0 HD23 LEU A 28 -1.720 10.692 -4.300 1.00 21.03 H new ATOM 450 N GLN A 29 -0.656 9.434 -0.203 1.00 55.24 N ATOM 451 CA GLN A 29 -0.427 10.515 0.748 1.00 0.42 C ATOM 452 C GLN A 29 0.444 10.043 1.913 1.00 20.12 C ATOM 453 O GLN A 29 1.310 10.772 2.379 1.00 64.35 O ATOM 454 CB GLN A 29 -1.765 11.092 1.264 1.00 63.03 C ATOM 455 CG GLN A 29 -2.531 10.173 2.146 1.00 53.22 C ATOM 456 CD GLN A 29 -3.874 10.731 2.539 1.00 62.34 C ATOM 457 OE1 GLN A 29 -4.770 9.868 2.879 1.00 52.52 O flip ATOM 458 NE2 GLN A 29 -4.079 11.930 2.594 1.00 61.14 N flip ATOM 0 H GLN A 29 -1.638 9.184 -0.319 1.00 55.24 H new ATOM 0 HA GLN A 29 0.106 11.311 0.227 1.00 0.42 H new ATOM 0 HB2 GLN A 29 -1.563 12.014 1.809 1.00 63.03 H new ATOM 0 HB3 GLN A 29 -2.386 11.357 0.409 1.00 63.03 H new ATOM 0 HG2 GLN A 29 -2.673 9.220 1.636 1.00 53.22 H new ATOM 0 HG3 GLN A 29 -1.949 9.970 3.045 1.00 53.22 H new ATOM 0 HE21 GLN A 29 -3.348 12.586 2.317 1.00 61.14 H new ATOM 0 HE22 GLN A 29 -4.982 12.279 2.917 1.00 61.14 H new ATOM 467 N ALA A 30 0.248 8.790 2.316 1.00 51.04 N ATOM 468 CA ALA A 30 0.955 8.209 3.435 1.00 13.22 C ATOM 469 C ALA A 30 2.450 8.175 3.189 1.00 63.35 C ATOM 470 O ALA A 30 3.246 8.527 4.062 1.00 15.02 O ATOM 471 CB ALA A 30 0.434 6.811 3.715 1.00 65.41 C ATOM 0 H ALA A 30 -0.411 8.153 1.868 1.00 51.04 H new ATOM 0 HA ALA A 30 0.776 8.837 4.308 1.00 13.22 H new ATOM 0 HB1 ALA A 30 0.974 6.384 4.560 1.00 65.41 H new ATOM 0 HB2 ALA A 30 -0.629 6.859 3.951 1.00 65.41 H new ATOM 0 HB3 ALA A 30 0.582 6.185 2.835 1.00 65.41 H new ATOM 477 N ILE A 31 2.832 7.792 2.002 1.00 43.14 N ATOM 478 CA ILE A 31 4.227 7.664 1.706 1.00 52.02 C ATOM 479 C ILE A 31 4.873 8.996 1.263 1.00 30.04 C ATOM 480 O ILE A 31 5.920 9.367 1.781 1.00 3.05 O ATOM 481 CB ILE A 31 4.514 6.500 0.709 1.00 33.54 C ATOM 482 CG1 ILE A 31 6.016 6.363 0.444 1.00 0.34 C ATOM 483 CG2 ILE A 31 3.722 6.654 -0.590 1.00 3.23 C ATOM 484 CD1 ILE A 31 6.381 5.206 -0.449 1.00 14.22 C ATOM 0 H ILE A 31 2.202 7.566 1.232 1.00 43.14 H new ATOM 0 HA ILE A 31 4.713 7.397 2.645 1.00 52.02 H new ATOM 0 HB ILE A 31 4.174 5.576 1.176 1.00 33.54 H new ATOM 0 HG12 ILE A 31 6.380 7.286 -0.008 1.00 0.34 H new ATOM 0 HG13 ILE A 31 6.533 6.250 1.397 1.00 0.34 H new ATOM 0 HG21 ILE A 31 3.951 5.823 -1.257 1.00 3.23 H new ATOM 0 HG22 ILE A 31 2.655 6.657 -0.367 1.00 3.23 H new ATOM 0 HG23 ILE A 31 3.995 7.592 -1.073 1.00 3.23 H new ATOM 0 HD11 ILE A 31 7.462 5.179 -0.587 1.00 14.22 H new ATOM 0 HD12 ILE A 31 6.051 4.274 0.010 1.00 14.22 H new ATOM 0 HD13 ILE A 31 5.895 5.326 -1.417 1.00 14.22 H new ATOM 496 N GLN A 32 4.209 9.754 0.388 1.00 41.00 N ATOM 497 CA GLN A 32 4.809 10.998 -0.130 1.00 44.45 C ATOM 498 C GLN A 32 4.848 12.111 0.911 1.00 31.03 C ATOM 499 O GLN A 32 5.730 12.955 0.896 1.00 64.42 O ATOM 500 CB GLN A 32 4.116 11.500 -1.398 1.00 52.21 C ATOM 501 CG GLN A 32 2.646 11.822 -1.230 1.00 55.21 C ATOM 502 CD GLN A 32 2.027 12.451 -2.459 1.00 4.31 C ATOM 503 OE1 GLN A 32 2.437 12.204 -3.575 1.00 44.10 O ATOM 504 NE2 GLN A 32 1.022 13.266 -2.255 1.00 0.11 N ATOM 0 H GLN A 32 3.279 9.541 0.027 1.00 41.00 H new ATOM 0 HA GLN A 32 5.836 10.733 -0.382 1.00 44.45 H new ATOM 0 HB2 GLN A 32 4.632 12.394 -1.748 1.00 52.21 H new ATOM 0 HB3 GLN A 32 4.222 10.745 -2.177 1.00 52.21 H new ATOM 0 HG2 GLN A 32 2.106 10.907 -0.988 1.00 55.21 H new ATOM 0 HG3 GLN A 32 2.524 12.498 -0.384 1.00 55.21 H new ATOM 0 HE21 GLN A 32 0.701 13.453 -1.305 1.00 0.11 H new ATOM 0 HE22 GLN A 32 0.560 13.714 -3.046 1.00 0.11 H new ATOM 513 N ASN A 33 3.891 12.117 1.816 1.00 22.34 N ATOM 514 CA ASN A 33 3.849 13.166 2.833 1.00 52.52 C ATOM 515 C ASN A 33 4.617 12.726 4.087 1.00 40.25 C ATOM 516 O ASN A 33 4.643 13.423 5.092 1.00 41.23 O ATOM 517 CB ASN A 33 2.394 13.560 3.171 1.00 4.23 C ATOM 518 CG ASN A 33 2.265 14.838 4.015 1.00 1.42 C ATOM 519 OD1 ASN A 33 3.148 15.797 3.813 1.00 31.30 O flip ATOM 520 ND2 ASN A 33 1.358 14.971 4.814 1.00 64.13 N flip ATOM 0 H ASN A 33 3.143 11.426 1.875 1.00 22.34 H new ATOM 0 HA ASN A 33 4.338 14.053 2.430 1.00 52.52 H new ATOM 0 HB2 ASN A 33 1.841 13.695 2.241 1.00 4.23 H new ATOM 0 HB3 ASN A 33 1.922 12.736 3.706 1.00 4.23 H new ATOM 0 HD21 ASN A 33 0.687 14.216 4.954 1.00 64.13 H new ATOM 0 HD22 ASN A 33 1.269 15.838 5.344 1.00 64.13 H new ATOM 527 N GLY A 34 5.252 11.563 3.995 1.00 23.50 N ATOM 528 CA GLY A 34 6.068 11.052 5.081 1.00 54.42 C ATOM 529 C GLY A 34 5.279 10.786 6.345 1.00 61.24 C ATOM 530 O GLY A 34 5.669 11.207 7.425 1.00 22.23 O ATOM 0 H GLY A 34 5.215 10.957 3.175 1.00 23.50 H new ATOM 0 HA2 GLY A 34 6.551 10.129 4.761 1.00 54.42 H new ATOM 0 HA3 GLY A 34 6.861 11.768 5.299 1.00 54.42 H new ATOM 534 N GLN A 35 4.179 10.065 6.215 1.00 65.33 N ATOM 535 CA GLN A 35 3.333 9.742 7.366 1.00 54.42 C ATOM 536 C GLN A 35 3.917 8.553 8.124 1.00 3.32 C ATOM 537 O GLN A 35 3.430 8.154 9.176 1.00 51.12 O ATOM 538 CB GLN A 35 1.900 9.442 6.915 1.00 1.23 C ATOM 539 CG GLN A 35 1.214 10.593 6.186 1.00 41.40 C ATOM 540 CD GLN A 35 1.037 11.826 7.050 1.00 11.44 C ATOM 541 OE1 GLN A 35 0.032 11.973 7.731 1.00 34.25 O ATOM 542 NE2 GLN A 35 1.998 12.716 7.029 1.00 73.33 N ATOM 0 H GLN A 35 3.845 9.689 5.327 1.00 65.33 H new ATOM 0 HA GLN A 35 3.305 10.604 8.033 1.00 54.42 H new ATOM 0 HB2 GLN A 35 1.913 8.570 6.261 1.00 1.23 H new ATOM 0 HB3 GLN A 35 1.305 9.176 7.789 1.00 1.23 H new ATOM 0 HG2 GLN A 35 1.798 10.856 5.304 1.00 41.40 H new ATOM 0 HG3 GLN A 35 0.237 10.261 5.834 1.00 41.40 H new ATOM 0 HE21 GLN A 35 2.823 12.562 6.450 1.00 73.33 H new ATOM 0 HE22 GLN A 35 1.921 13.563 7.592 1.00 73.33 H new ATOM 551 N THR A 36 4.951 7.990 7.565 1.00 74.35 N ATOM 552 CA THR A 36 5.652 6.915 8.160 1.00 42.02 C ATOM 553 C THR A 36 7.101 6.975 7.692 1.00 40.24 C ATOM 554 O THR A 36 7.374 7.166 6.502 1.00 60.01 O ATOM 555 CB THR A 36 4.987 5.525 7.841 1.00 32.52 C ATOM 556 OG1 THR A 36 5.667 4.452 8.537 1.00 43.24 O ATOM 557 CG2 THR A 36 4.955 5.224 6.339 1.00 74.02 C ATOM 0 H THR A 36 5.329 8.281 6.663 1.00 74.35 H new ATOM 0 HA THR A 36 5.614 7.013 9.245 1.00 42.02 H new ATOM 0 HB THR A 36 3.957 5.589 8.192 1.00 32.52 H new ATOM 0 HG1 THR A 36 5.235 3.599 8.324 1.00 43.24 H new ATOM 0 HG21 THR A 36 4.487 4.254 6.172 1.00 74.02 H new ATOM 0 HG22 THR A 36 4.383 5.996 5.825 1.00 74.02 H new ATOM 0 HG23 THR A 36 5.973 5.207 5.950 1.00 74.02 H new ATOM 565 N PHE A 37 8.011 6.890 8.620 1.00 60.12 N ATOM 566 CA PHE A 37 9.413 6.919 8.304 1.00 45.30 C ATOM 567 C PHE A 37 9.965 5.524 8.392 1.00 22.40 C ATOM 568 O PHE A 37 9.554 4.739 9.254 1.00 33.34 O ATOM 569 CB PHE A 37 10.172 7.876 9.230 1.00 65.21 C ATOM 570 CG PHE A 37 9.743 9.313 9.084 1.00 3.35 C ATOM 571 CD1 PHE A 37 10.265 10.102 8.071 1.00 2.04 C ATOM 572 CD2 PHE A 37 8.814 9.872 9.950 1.00 3.12 C ATOM 573 CE1 PHE A 37 9.872 11.417 7.925 1.00 41.45 C ATOM 574 CE2 PHE A 37 8.417 11.187 9.807 1.00 21.42 C ATOM 575 CZ PHE A 37 8.947 11.961 8.793 1.00 50.21 C ATOM 0 H PHE A 37 7.804 6.799 9.615 1.00 60.12 H new ATOM 0 HA PHE A 37 9.543 7.292 7.288 1.00 45.30 H new ATOM 0 HB2 PHE A 37 10.024 7.563 10.264 1.00 65.21 H new ATOM 0 HB3 PHE A 37 11.240 7.800 9.023 1.00 65.21 H new ATOM 0 HD1 PHE A 37 10.988 9.683 7.387 1.00 2.04 H new ATOM 0 HD2 PHE A 37 8.397 9.272 10.745 1.00 3.12 H new ATOM 0 HE1 PHE A 37 10.288 12.020 7.132 1.00 41.45 H new ATOM 0 HE2 PHE A 37 7.693 11.610 10.487 1.00 21.42 H new ATOM 0 HZ PHE A 37 8.638 12.990 8.680 1.00 50.21 H new ATOM 585 N ASP A 38 10.854 5.203 7.493 1.00 75.04 N ATOM 586 CA ASP A 38 11.424 3.871 7.425 1.00 13.11 C ATOM 587 C ASP A 38 12.676 3.823 8.267 1.00 14.52 C ATOM 588 O ASP A 38 13.364 4.829 8.399 1.00 12.53 O ATOM 589 CB ASP A 38 11.734 3.490 5.977 1.00 75.13 C ATOM 590 CG ASP A 38 12.193 2.069 5.854 1.00 11.34 C ATOM 591 OD1 ASP A 38 11.357 1.170 6.029 1.00 72.10 O ATOM 592 OD2 ASP A 38 13.399 1.831 5.621 1.00 72.55 O ATOM 0 H ASP A 38 11.207 5.848 6.787 1.00 75.04 H new ATOM 0 HA ASP A 38 10.702 3.151 7.812 1.00 13.11 H new ATOM 0 HB2 ASP A 38 10.844 3.637 5.365 1.00 75.13 H new ATOM 0 HB3 ASP A 38 12.504 4.154 5.585 1.00 75.13 H new ATOM 597 N TYR A 39 12.993 2.660 8.782 1.00 23.43 N ATOM 598 CA TYR A 39 14.074 2.508 9.758 1.00 64.31 C ATOM 599 C TYR A 39 15.442 2.712 9.155 1.00 32.44 C ATOM 600 O TYR A 39 16.359 3.139 9.840 1.00 0.43 O ATOM 601 CB TYR A 39 13.980 1.166 10.493 1.00 35.31 C ATOM 602 CG TYR A 39 12.560 0.804 10.888 1.00 33.15 C ATOM 603 CD1 TYR A 39 11.745 1.704 11.575 1.00 24.42 C ATOM 604 CD2 TYR A 39 12.019 -0.417 10.520 1.00 35.34 C ATOM 605 CE1 TYR A 39 10.440 1.386 11.885 1.00 62.22 C ATOM 606 CE2 TYR A 39 10.712 -0.736 10.818 1.00 51.41 C ATOM 607 CZ TYR A 39 9.929 0.166 11.501 1.00 72.01 C ATOM 608 OH TYR A 39 8.610 -0.142 11.763 1.00 34.55 O ATOM 0 H TYR A 39 12.519 1.789 8.546 1.00 23.43 H new ATOM 0 HA TYR A 39 13.940 3.303 10.491 1.00 64.31 H new ATOM 0 HB2 TYR A 39 14.386 0.380 9.856 1.00 35.31 H new ATOM 0 HB3 TYR A 39 14.602 1.204 11.388 1.00 35.31 H new ATOM 0 HD1 TYR A 39 12.142 2.664 11.868 1.00 24.42 H new ATOM 0 HD2 TYR A 39 12.632 -1.131 9.990 1.00 35.34 H new ATOM 0 HE1 TYR A 39 9.823 2.089 12.425 1.00 62.22 H new ATOM 0 HE2 TYR A 39 10.304 -1.690 10.517 1.00 51.41 H new ATOM 0 HH TYR A 39 8.124 0.675 12.000 1.00 34.55 H new ATOM 618 N LYS A 40 15.586 2.444 7.877 1.00 44.35 N ATOM 619 CA LYS A 40 16.876 2.657 7.268 1.00 10.14 C ATOM 620 C LYS A 40 16.901 4.059 6.647 1.00 1.05 C ATOM 621 O LYS A 40 17.866 4.431 5.985 1.00 34.43 O ATOM 622 CB LYS A 40 17.195 1.571 6.208 1.00 55.44 C ATOM 623 CG LYS A 40 16.539 1.799 4.858 1.00 44.33 C ATOM 624 CD LYS A 40 16.789 0.663 3.880 1.00 44.41 C ATOM 625 CE LYS A 40 15.803 -0.474 4.078 1.00 22.11 C ATOM 626 NZ LYS A 40 14.407 -0.008 3.863 1.00 50.02 N ATOM 0 H LYS A 40 14.855 2.091 7.259 1.00 44.35 H new ATOM 0 HA LYS A 40 17.648 2.581 8.033 1.00 10.14 H new ATOM 0 HB2 LYS A 40 18.275 1.522 6.070 1.00 55.44 H new ATOM 0 HB3 LYS A 40 16.879 0.601 6.593 1.00 55.44 H new ATOM 0 HG2 LYS A 40 15.465 1.922 4.998 1.00 44.33 H new ATOM 0 HG3 LYS A 40 16.913 2.729 4.430 1.00 44.33 H new ATOM 0 HD2 LYS A 40 16.712 1.038 2.859 1.00 44.41 H new ATOM 0 HD3 LYS A 40 17.805 0.290 4.007 1.00 44.41 H new ATOM 0 HE2 LYS A 40 16.031 -1.284 3.385 1.00 22.11 H new ATOM 0 HE3 LYS A 40 15.905 -0.878 5.085 1.00 22.11 H new ATOM 0 HZ1 LYS A 40 13.750 -0.802 4.004 1.00 50.02 H new ATOM 0 HZ2 LYS A 40 14.185 0.749 4.541 1.00 50.02 H new ATOM 0 HZ3 LYS A 40 14.308 0.356 2.894 1.00 50.02 H new ATOM 640 N SER A 41 15.808 4.838 6.903 1.00 25.31 N ATOM 641 CA SER A 41 15.642 6.190 6.364 1.00 70.41 C ATOM 642 C SER A 41 15.634 6.142 4.824 1.00 63.10 C ATOM 643 O SER A 41 16.097 7.039 4.134 1.00 34.42 O ATOM 644 CB SER A 41 16.740 7.075 6.943 1.00 72.11 C ATOM 645 OG SER A 41 16.594 7.173 8.355 1.00 74.55 O ATOM 0 H SER A 41 15.030 4.532 7.488 1.00 25.31 H new ATOM 0 HA SER A 41 14.684 6.622 6.655 1.00 70.41 H new ATOM 0 HB2 SER A 41 17.718 6.661 6.698 1.00 72.11 H new ATOM 0 HB3 SER A 41 16.692 8.067 6.495 1.00 72.11 H new ATOM 0 HG SER A 41 17.304 7.742 8.719 1.00 74.55 H new ATOM 651 N ASN A 42 14.982 5.097 4.341 1.00 11.11 N ATOM 652 CA ASN A 42 14.898 4.727 2.930 1.00 32.30 C ATOM 653 C ASN A 42 14.104 5.766 2.132 1.00 75.42 C ATOM 654 O ASN A 42 13.044 6.182 2.578 1.00 10.42 O ATOM 655 CB ASN A 42 14.139 3.403 2.864 1.00 72.23 C ATOM 656 CG ASN A 42 14.537 2.512 1.724 1.00 53.55 C ATOM 657 OD1 ASN A 42 15.681 2.520 1.291 1.00 12.35 O ATOM 658 ND2 ASN A 42 13.619 1.688 1.280 1.00 4.53 N ATOM 0 H ASN A 42 14.473 4.452 4.945 1.00 11.11 H new ATOM 0 HA ASN A 42 15.901 4.659 2.509 1.00 32.30 H new ATOM 0 HB2 ASN A 42 14.292 2.865 3.799 1.00 72.23 H new ATOM 0 HB3 ASN A 42 13.072 3.614 2.788 1.00 72.23 H new ATOM 0 HD21 ASN A 42 13.847 1.019 0.545 1.00 4.53 H new ATOM 0 HD22 ASN A 42 12.677 1.716 1.670 1.00 4.53 H new ATOM 665 N PRO A 43 14.637 6.232 0.977 1.00 43.42 N ATOM 666 CA PRO A 43 13.925 7.144 0.050 1.00 25.11 C ATOM 667 C PRO A 43 12.466 6.710 -0.225 1.00 33.43 C ATOM 668 O PRO A 43 12.207 5.622 -0.739 1.00 11.12 O ATOM 669 CB PRO A 43 14.759 7.042 -1.221 1.00 64.15 C ATOM 670 CG PRO A 43 16.142 6.807 -0.729 1.00 50.31 C ATOM 671 CD PRO A 43 16.017 5.969 0.516 1.00 72.34 C ATOM 0 HA PRO A 43 13.837 8.152 0.455 1.00 25.11 H new ATOM 0 HB2 PRO A 43 14.418 6.225 -1.857 1.00 64.15 H new ATOM 0 HB3 PRO A 43 14.696 7.955 -1.813 1.00 64.15 H new ATOM 0 HG2 PRO A 43 16.740 6.295 -1.483 1.00 50.31 H new ATOM 0 HG3 PRO A 43 16.642 7.751 -0.513 1.00 50.31 H new ATOM 0 HD2 PRO A 43 16.174 4.911 0.304 1.00 72.34 H new ATOM 0 HD3 PRO A 43 16.752 6.256 1.268 1.00 72.34 H new ATOM 679 N TYR A 44 11.536 7.592 0.101 1.00 3.43 N ATOM 680 CA TYR A 44 10.095 7.305 0.048 1.00 63.53 C ATOM 681 C TYR A 44 9.462 7.789 -1.240 1.00 34.51 C ATOM 682 O TYR A 44 8.286 7.544 -1.484 1.00 73.12 O ATOM 683 CB TYR A 44 9.362 7.985 1.208 1.00 62.12 C ATOM 684 CG TYR A 44 10.031 7.825 2.543 1.00 31.41 C ATOM 685 CD1 TYR A 44 9.932 6.646 3.259 1.00 52.14 C ATOM 686 CD2 TYR A 44 10.795 8.857 3.077 1.00 23.01 C ATOM 687 CE1 TYR A 44 10.571 6.503 4.468 1.00 72.32 C ATOM 688 CE2 TYR A 44 11.444 8.716 4.280 1.00 54.33 C ATOM 689 CZ TYR A 44 11.325 7.540 4.973 1.00 4.12 C ATOM 690 OH TYR A 44 11.998 7.382 6.163 1.00 23.14 O ATOM 0 H TYR A 44 11.752 8.538 0.414 1.00 3.43 H new ATOM 0 HA TYR A 44 10.001 6.221 0.112 1.00 63.53 H new ATOM 0 HB2 TYR A 44 9.267 9.048 0.988 1.00 62.12 H new ATOM 0 HB3 TYR A 44 8.352 7.580 1.271 1.00 62.12 H new ATOM 0 HD1 TYR A 44 9.346 5.829 2.864 1.00 52.14 H new ATOM 0 HD2 TYR A 44 10.880 9.788 2.536 1.00 23.01 H new ATOM 0 HE1 TYR A 44 10.482 5.580 5.021 1.00 72.32 H new ATOM 0 HE2 TYR A 44 12.042 9.524 4.675 1.00 54.33 H new ATOM 0 HH TYR A 44 12.482 8.207 6.377 1.00 23.14 H new ATOM 700 N ASP A 45 10.218 8.445 -2.068 1.00 11.04 N ATOM 701 CA ASP A 45 9.615 9.151 -3.184 1.00 61.10 C ATOM 702 C ASP A 45 9.263 8.204 -4.311 1.00 12.14 C ATOM 703 O ASP A 45 9.981 7.222 -4.587 1.00 51.20 O ATOM 704 CB ASP A 45 10.512 10.290 -3.671 1.00 23.15 C ATOM 705 CG ASP A 45 9.866 11.084 -4.787 1.00 25.22 C ATOM 706 OD1 ASP A 45 8.637 11.318 -4.707 1.00 1.41 O ATOM 707 OD2 ASP A 45 10.582 11.491 -5.711 1.00 33.01 O ATOM 0 H ASP A 45 11.234 8.513 -2.005 1.00 11.04 H new ATOM 0 HA ASP A 45 8.685 9.595 -2.828 1.00 61.10 H new ATOM 0 HB2 ASP A 45 10.738 10.955 -2.837 1.00 23.15 H new ATOM 0 HB3 ASP A 45 11.460 9.881 -4.019 1.00 23.15 H new ATOM 712 N ILE A 46 8.131 8.485 -4.911 1.00 71.32 N ATOM 713 CA ILE A 46 7.503 7.639 -5.890 1.00 43.34 C ATOM 714 C ILE A 46 8.260 7.659 -7.205 1.00 51.14 C ATOM 715 O ILE A 46 8.406 8.693 -7.836 1.00 5.31 O ATOM 716 CB ILE A 46 5.980 8.012 -6.127 1.00 31.11 C ATOM 717 CG1 ILE A 46 5.064 7.592 -4.959 1.00 42.24 C ATOM 718 CG2 ILE A 46 5.438 7.416 -7.409 1.00 50.34 C ATOM 719 CD1 ILE A 46 5.174 8.380 -3.683 1.00 40.24 C ATOM 0 H ILE A 46 7.606 9.339 -4.722 1.00 71.32 H new ATOM 0 HA ILE A 46 7.533 6.628 -5.485 1.00 43.34 H new ATOM 0 HB ILE A 46 5.970 9.100 -6.199 1.00 31.11 H new ATOM 0 HG12 ILE A 46 4.031 7.648 -5.303 1.00 42.24 H new ATOM 0 HG13 ILE A 46 5.268 6.546 -4.729 1.00 42.24 H new ATOM 0 HG21 ILE A 46 4.392 7.699 -7.528 1.00 50.34 H new ATOM 0 HG22 ILE A 46 6.014 7.790 -8.256 1.00 50.34 H new ATOM 0 HG23 ILE A 46 5.518 6.330 -7.367 1.00 50.34 H new ATOM 0 HD11 ILE A 46 4.476 7.980 -2.947 1.00 40.24 H new ATOM 0 HD12 ILE A 46 6.191 8.307 -3.297 1.00 40.24 H new ATOM 0 HD13 ILE A 46 4.935 9.425 -3.879 1.00 40.24 H new ATOM 731 N SER A 47 8.713 6.510 -7.624 1.00 73.34 N ATOM 732 CA SER A 47 9.409 6.428 -8.864 1.00 42.14 C ATOM 733 C SER A 47 8.454 6.062 -10.003 1.00 11.14 C ATOM 734 O SER A 47 8.661 6.459 -11.145 1.00 31.30 O ATOM 735 CB SER A 47 10.560 5.428 -8.736 1.00 13.14 C ATOM 736 OG SER A 47 10.135 4.222 -8.087 1.00 21.21 O ATOM 0 H SER A 47 8.611 5.627 -7.124 1.00 73.34 H new ATOM 0 HA SER A 47 9.830 7.403 -9.109 1.00 42.14 H new ATOM 0 HB2 SER A 47 10.951 5.192 -9.726 1.00 13.14 H new ATOM 0 HB3 SER A 47 11.375 5.880 -8.171 1.00 13.14 H new ATOM 0 HG SER A 47 9.161 4.235 -7.979 1.00 21.21 H new ATOM 742 N VAL A 48 7.395 5.307 -9.686 1.00 73.11 N ATOM 743 CA VAL A 48 6.362 5.002 -10.667 1.00 52.34 C ATOM 744 C VAL A 48 5.000 5.024 -9.956 1.00 51.20 C ATOM 745 O VAL A 48 4.845 4.413 -8.894 1.00 63.34 O ATOM 746 CB VAL A 48 6.552 3.574 -11.308 1.00 74.34 C ATOM 747 CG1 VAL A 48 5.584 3.361 -12.455 1.00 73.54 C ATOM 748 CG2 VAL A 48 7.983 3.320 -11.778 1.00 35.32 C ATOM 0 H VAL A 48 7.237 4.902 -8.763 1.00 73.11 H new ATOM 0 HA VAL A 48 6.424 5.745 -11.462 1.00 52.34 H new ATOM 0 HB VAL A 48 6.338 2.854 -10.518 1.00 74.34 H new ATOM 0 HG11 VAL A 48 5.736 2.369 -12.880 1.00 73.54 H new ATOM 0 HG12 VAL A 48 4.561 3.446 -12.088 1.00 73.54 H new ATOM 0 HG13 VAL A 48 5.758 4.115 -13.223 1.00 73.54 H new ATOM 0 HG21 VAL A 48 8.052 2.322 -12.210 1.00 35.32 H new ATOM 0 HG22 VAL A 48 8.256 4.060 -12.530 1.00 35.32 H new ATOM 0 HG23 VAL A 48 8.663 3.396 -10.930 1.00 35.32 H new ATOM 758 N ASN A 49 4.046 5.725 -10.507 1.00 41.52 N ATOM 759 CA ASN A 49 2.684 5.731 -10.005 1.00 11.44 C ATOM 760 C ASN A 49 1.851 5.212 -11.135 1.00 4.44 C ATOM 761 O ASN A 49 2.088 5.616 -12.275 1.00 3.01 O ATOM 762 CB ASN A 49 2.202 7.141 -9.536 1.00 60.44 C ATOM 763 CG ASN A 49 1.900 8.133 -10.659 1.00 32.10 C ATOM 764 OD1 ASN A 49 2.780 8.835 -11.130 1.00 43.24 O ATOM 765 ND2 ASN A 49 0.642 8.235 -11.049 1.00 60.25 N ATOM 0 H ASN A 49 4.186 6.317 -11.326 1.00 41.52 H new ATOM 0 HA ASN A 49 2.602 5.114 -9.110 1.00 11.44 H new ATOM 0 HB2 ASN A 49 1.304 7.017 -8.931 1.00 60.44 H new ATOM 0 HB3 ASN A 49 2.966 7.571 -8.888 1.00 60.44 H new ATOM 0 HD21 ASN A 49 0.383 8.915 -11.763 1.00 60.25 H new ATOM 0 HD22 ASN A 49 -0.070 7.633 -10.636 1.00 60.25 H new ATOM 772 N LYS A 50 0.956 4.291 -10.923 1.00 13.32 N ATOM 773 CA LYS A 50 0.203 3.842 -12.073 1.00 21.42 C ATOM 774 C LYS A 50 -1.245 3.700 -11.734 1.00 54.01 C ATOM 775 O LYS A 50 -1.597 3.200 -10.660 1.00 44.34 O ATOM 776 CB LYS A 50 0.690 2.443 -12.426 1.00 2.20 C ATOM 777 CG LYS A 50 2.199 2.287 -12.456 1.00 33.12 C ATOM 778 CD LYS A 50 2.577 0.899 -12.030 1.00 21.13 C ATOM 779 CE LYS A 50 2.129 -0.120 -13.029 1.00 4.43 C ATOM 780 NZ LYS A 50 2.089 -1.488 -12.450 1.00 1.24 N ATOM 0 H LYS A 50 0.733 3.855 -10.028 1.00 13.32 H new ATOM 0 HA LYS A 50 0.335 4.561 -12.881 1.00 21.42 H new ATOM 0 HB2 LYS A 50 0.279 1.737 -11.704 1.00 2.20 H new ATOM 0 HB3 LYS A 50 0.290 2.169 -13.402 1.00 2.20 H new ATOM 0 HG2 LYS A 50 2.574 2.483 -13.461 1.00 33.12 H new ATOM 0 HG3 LYS A 50 2.662 3.019 -11.794 1.00 33.12 H new ATOM 0 HD2 LYS A 50 3.658 0.837 -11.905 1.00 21.13 H new ATOM 0 HD3 LYS A 50 2.131 0.680 -11.060 1.00 21.13 H new ATOM 0 HE2 LYS A 50 1.139 0.146 -13.399 1.00 4.43 H new ATOM 0 HE3 LYS A 50 2.803 -0.109 -13.886 1.00 4.43 H new ATOM 0 HZ1 LYS A 50 2.720 -2.113 -12.991 1.00 1.24 H new ATOM 0 HZ2 LYS A 50 2.402 -1.455 -11.459 1.00 1.24 H new ATOM 0 HZ3 LYS A 50 1.117 -1.855 -12.494 1.00 1.24 H new ATOM 794 N ASN A 51 -2.069 4.101 -12.652 1.00 63.32 N ATOM 795 CA ASN A 51 -3.472 3.831 -12.618 1.00 34.32 C ATOM 796 C ASN A 51 -3.831 2.889 -13.757 1.00 31.52 C ATOM 797 O ASN A 51 -3.412 3.109 -14.885 1.00 44.23 O ATOM 798 CB ASN A 51 -4.329 5.121 -12.637 1.00 12.11 C ATOM 799 CG ASN A 51 -4.117 5.996 -13.871 1.00 74.12 C ATOM 800 OD1 ASN A 51 -3.243 6.849 -13.891 1.00 43.44 O ATOM 801 ND2 ASN A 51 -4.924 5.808 -14.890 1.00 75.21 N ATOM 0 H ASN A 51 -1.776 4.639 -13.467 1.00 63.32 H new ATOM 0 HA ASN A 51 -3.704 3.345 -11.670 1.00 34.32 H new ATOM 0 HB2 ASN A 51 -5.382 4.845 -12.578 1.00 12.11 H new ATOM 0 HB3 ASN A 51 -4.102 5.707 -11.746 1.00 12.11 H new ATOM 0 HD21 ASN A 51 -4.830 6.382 -15.728 1.00 75.21 H new ATOM 0 HD22 ASN A 51 -5.645 5.088 -14.844 1.00 75.21 H new ATOM 808 N ASN A 52 -4.531 1.840 -13.475 1.00 44.44 N ATOM 809 CA ASN A 52 -5.041 0.975 -14.538 1.00 43.02 C ATOM 810 C ASN A 52 -6.509 1.255 -14.750 1.00 51.22 C ATOM 811 O ASN A 52 -6.955 1.540 -15.850 1.00 54.20 O ATOM 812 CB ASN A 52 -4.842 -0.510 -14.193 1.00 10.55 C ATOM 813 CG ASN A 52 -5.644 -1.455 -15.087 1.00 14.24 C ATOM 814 OD1 ASN A 52 -6.813 -1.762 -14.792 1.00 22.43 O ATOM 815 ND2 ASN A 52 -5.045 -1.932 -16.149 1.00 45.40 N ATOM 0 H ASN A 52 -4.773 1.545 -12.529 1.00 44.44 H new ATOM 0 HA ASN A 52 -4.485 1.188 -15.451 1.00 43.02 H new ATOM 0 HB2 ASN A 52 -3.783 -0.755 -14.275 1.00 10.55 H new ATOM 0 HB3 ASN A 52 -5.128 -0.675 -13.154 1.00 10.55 H new ATOM 0 HD21 ASN A 52 -5.538 -2.578 -16.766 1.00 45.40 H new ATOM 0 HD22 ASN A 52 -4.085 -1.658 -16.360 1.00 45.40 H new ATOM 822 N GLY A 53 -7.243 1.214 -13.670 1.00 21.51 N ATOM 823 CA GLY A 53 -8.665 1.382 -13.737 1.00 53.51 C ATOM 824 C GLY A 53 -9.340 0.339 -12.900 1.00 61.01 C ATOM 825 O GLY A 53 -10.390 0.587 -12.271 1.00 71.24 O ATOM 0 H GLY A 53 -6.875 1.065 -12.730 1.00 21.51 H new ATOM 0 HA2 GLY A 53 -8.940 2.377 -13.386 1.00 53.51 H new ATOM 0 HA3 GLY A 53 -9.001 1.305 -14.771 1.00 53.51 H new ATOM 829 N THR A 54 -8.776 -0.844 -12.893 1.00 22.32 N ATOM 830 CA THR A 54 -9.262 -1.870 -12.025 1.00 64.04 C ATOM 831 C THR A 54 -8.171 -2.245 -11.018 1.00 22.12 C ATOM 832 O THR A 54 -8.370 -3.095 -10.139 1.00 42.23 O ATOM 833 CB THR A 54 -9.815 -3.110 -12.797 1.00 1.20 C ATOM 834 OG1 THR A 54 -10.574 -3.935 -11.905 1.00 20.23 O ATOM 835 CG2 THR A 54 -8.702 -3.939 -13.428 1.00 23.15 C ATOM 0 H THR A 54 -7.985 -1.112 -13.478 1.00 22.32 H new ATOM 0 HA THR A 54 -10.120 -1.476 -11.480 1.00 64.04 H new ATOM 0 HB THR A 54 -10.449 -2.737 -13.601 1.00 1.20 H new ATOM 0 HG1 THR A 54 -10.201 -3.869 -11.001 1.00 20.23 H new ATOM 0 HG21 THR A 54 -9.135 -4.790 -13.954 1.00 23.15 H new ATOM 0 HG22 THR A 54 -8.144 -3.323 -14.133 1.00 23.15 H new ATOM 0 HG23 THR A 54 -8.029 -4.298 -12.649 1.00 23.15 H new ATOM 843 N ASP A 55 -7.040 -1.592 -11.156 1.00 10.04 N ATOM 844 CA ASP A 55 -5.917 -1.710 -10.254 1.00 63.54 C ATOM 845 C ASP A 55 -5.064 -0.483 -10.343 1.00 72.02 C ATOM 846 O ASP A 55 -5.241 0.344 -11.256 1.00 11.14 O ATOM 847 CB ASP A 55 -5.070 -2.988 -10.458 1.00 65.34 C ATOM 848 CG ASP A 55 -4.640 -3.248 -11.866 1.00 33.32 C ATOM 849 OD1 ASP A 55 -3.598 -2.738 -12.281 1.00 30.50 O ATOM 850 OD2 ASP A 55 -5.355 -4.034 -12.550 1.00 54.43 O ATOM 0 H ASP A 55 -6.871 -0.943 -11.924 1.00 10.04 H new ATOM 0 HA ASP A 55 -6.335 -1.802 -9.252 1.00 63.54 H new ATOM 0 HB2 ASP A 55 -4.181 -2.920 -9.830 1.00 65.34 H new ATOM 0 HB3 ASP A 55 -5.644 -3.845 -10.106 1.00 65.34 H new ATOM 855 N ALA A 56 -4.256 -0.301 -9.347 1.00 51.31 N ATOM 856 CA ALA A 56 -3.328 0.792 -9.252 1.00 32.31 C ATOM 857 C ALA A 56 -2.124 0.309 -8.498 1.00 63.02 C ATOM 858 O ALA A 56 -2.252 -0.535 -7.624 1.00 74.00 O ATOM 859 CB ALA A 56 -3.947 1.983 -8.547 1.00 31.03 C ATOM 0 H ALA A 56 -4.220 -0.931 -8.545 1.00 51.31 H new ATOM 0 HA ALA A 56 -3.049 1.122 -10.253 1.00 32.31 H new ATOM 0 HB1 ALA A 56 -3.219 2.792 -8.492 1.00 31.03 H new ATOM 0 HB2 ALA A 56 -4.822 2.320 -9.102 1.00 31.03 H new ATOM 0 HB3 ALA A 56 -4.246 1.694 -7.539 1.00 31.03 H new ATOM 865 N GLU A 57 -0.976 0.793 -8.835 1.00 45.20 N ATOM 866 CA GLU A 57 0.227 0.385 -8.155 1.00 40.01 C ATOM 867 C GLU A 57 1.130 1.583 -7.964 1.00 70.23 C ATOM 868 O GLU A 57 1.308 2.386 -8.888 1.00 72.02 O ATOM 869 CB GLU A 57 0.944 -0.740 -8.923 1.00 73.45 C ATOM 870 CG GLU A 57 2.283 -1.157 -8.325 1.00 12.43 C ATOM 871 CD GLU A 57 3.022 -2.163 -9.171 1.00 52.42 C ATOM 872 OE1 GLU A 57 3.414 -1.813 -10.312 1.00 71.32 O ATOM 873 OE2 GLU A 57 3.207 -3.292 -8.735 1.00 14.10 O ATOM 0 H GLU A 57 -0.835 1.476 -9.580 1.00 45.20 H new ATOM 0 HA GLU A 57 -0.037 -0.014 -7.176 1.00 40.01 H new ATOM 0 HB2 GLU A 57 0.290 -1.611 -8.961 1.00 73.45 H new ATOM 0 HB3 GLU A 57 1.104 -0.416 -9.951 1.00 73.45 H new ATOM 0 HG2 GLU A 57 2.907 -0.273 -8.195 1.00 12.43 H new ATOM 0 HG3 GLU A 57 2.116 -1.578 -7.334 1.00 12.43 H new ATOM 880 N ILE A 58 1.645 1.735 -6.773 1.00 54.12 N ATOM 881 CA ILE A 58 2.562 2.808 -6.473 1.00 50.45 C ATOM 882 C ILE A 58 3.889 2.170 -6.134 1.00 51.41 C ATOM 883 O ILE A 58 3.950 1.298 -5.253 1.00 40.40 O ATOM 884 CB ILE A 58 2.098 3.678 -5.255 1.00 53.43 C ATOM 885 CG1 ILE A 58 0.630 4.115 -5.397 1.00 4.15 C ATOM 886 CG2 ILE A 58 2.987 4.901 -5.121 1.00 50.31 C ATOM 887 CD1 ILE A 58 0.333 4.956 -6.619 1.00 23.01 C ATOM 0 H ILE A 58 1.443 1.121 -5.984 1.00 54.12 H new ATOM 0 HA ILE A 58 2.620 3.472 -7.336 1.00 50.45 H new ATOM 0 HB ILE A 58 2.181 3.064 -4.358 1.00 53.43 H new ATOM 0 HG12 ILE A 58 0.002 3.225 -5.425 1.00 4.15 H new ATOM 0 HG13 ILE A 58 0.346 4.678 -4.508 1.00 4.15 H new ATOM 0 HG21 ILE A 58 2.657 5.500 -4.272 1.00 50.31 H new ATOM 0 HG22 ILE A 58 4.018 4.586 -4.963 1.00 50.31 H new ATOM 0 HG23 ILE A 58 2.925 5.497 -6.031 1.00 50.31 H new ATOM 0 HD11 ILE A 58 -0.726 5.216 -6.633 1.00 23.01 H new ATOM 0 HD12 ILE A 58 0.930 5.868 -6.587 1.00 23.01 H new ATOM 0 HD13 ILE A 58 0.580 4.392 -7.518 1.00 23.01 H new ATOM 899 N VAL A 59 4.925 2.564 -6.831 1.00 70.31 N ATOM 900 CA VAL A 59 6.230 1.995 -6.625 1.00 45.41 C ATOM 901 C VAL A 59 7.240 3.084 -6.336 1.00 43.21 C ATOM 902 O VAL A 59 7.489 3.967 -7.180 1.00 11.04 O ATOM 903 CB VAL A 59 6.731 1.196 -7.871 1.00 51.42 C ATOM 904 CG1 VAL A 59 8.075 0.525 -7.596 1.00 54.31 C ATOM 905 CG2 VAL A 59 5.713 0.170 -8.324 1.00 11.11 C ATOM 0 H VAL A 59 4.887 3.284 -7.553 1.00 70.31 H new ATOM 0 HA VAL A 59 6.139 1.314 -5.779 1.00 45.41 H new ATOM 0 HB VAL A 59 6.865 1.916 -8.678 1.00 51.42 H new ATOM 0 HG11 VAL A 59 8.396 -0.023 -8.482 1.00 54.31 H new ATOM 0 HG12 VAL A 59 8.817 1.284 -7.350 1.00 54.31 H new ATOM 0 HG13 VAL A 59 7.972 -0.166 -6.760 1.00 54.31 H new ATOM 0 HG21 VAL A 59 6.097 -0.365 -9.192 1.00 11.11 H new ATOM 0 HG22 VAL A 59 5.525 -0.537 -7.516 1.00 11.11 H new ATOM 0 HG23 VAL A 59 4.783 0.673 -8.590 1.00 11.11 H new ATOM 915 N SER A 60 7.806 3.037 -5.180 1.00 55.12 N ATOM 916 CA SER A 60 8.886 3.895 -4.839 1.00 43.44 C ATOM 917 C SER A 60 10.115 3.013 -4.742 1.00 42.43 C ATOM 918 O SER A 60 10.029 1.869 -4.262 1.00 30.02 O ATOM 919 CB SER A 60 8.608 4.604 -3.502 1.00 2.11 C ATOM 920 OG SER A 60 7.374 5.300 -3.555 1.00 23.41 O ATOM 0 H SER A 60 7.529 2.395 -4.437 1.00 55.12 H new ATOM 0 HA SER A 60 9.026 4.676 -5.586 1.00 43.44 H new ATOM 0 HB2 SER A 60 8.585 3.873 -2.694 1.00 2.11 H new ATOM 0 HB3 SER A 60 9.416 5.301 -3.279 1.00 2.11 H new ATOM 0 HG SER A 60 7.418 6.088 -2.974 1.00 23.41 H new ATOM 926 N ALA A 61 11.228 3.506 -5.183 1.00 54.20 N ATOM 927 CA ALA A 61 12.433 2.731 -5.205 1.00 15.33 C ATOM 928 C ALA A 61 13.505 3.499 -4.522 1.00 10.13 C ATOM 929 O ALA A 61 13.517 4.730 -4.571 1.00 1.14 O ATOM 930 CB ALA A 61 12.833 2.399 -6.637 1.00 13.51 C ATOM 0 H ALA A 61 11.330 4.457 -5.539 1.00 54.20 H new ATOM 0 HA ALA A 61 12.272 1.788 -4.683 1.00 15.33 H new ATOM 0 HB1 ALA A 61 13.750 1.810 -6.631 1.00 13.51 H new ATOM 0 HB2 ALA A 61 12.037 1.826 -7.114 1.00 13.51 H new ATOM 0 HB3 ALA A 61 12.998 3.322 -7.192 1.00 13.51 H new ATOM 936 N SER A 62 14.369 2.811 -3.858 1.00 31.35 N ATOM 937 CA SER A 62 15.398 3.447 -3.146 1.00 1.41 C ATOM 938 C SER A 62 16.760 3.080 -3.710 1.00 51.24 C ATOM 939 O SER A 62 16.943 1.999 -4.266 1.00 62.33 O ATOM 940 CB SER A 62 15.277 3.033 -1.714 1.00 1.40 C ATOM 941 OG SER A 62 13.957 3.299 -1.245 1.00 44.23 O ATOM 0 H SER A 62 14.373 1.793 -3.800 1.00 31.35 H new ATOM 0 HA SER A 62 15.306 4.530 -3.234 1.00 1.41 H new ATOM 0 HB2 SER A 62 15.502 1.971 -1.612 1.00 1.40 H new ATOM 0 HB3 SER A 62 16.004 3.572 -1.107 1.00 1.40 H new ATOM 0 HG SER A 62 13.821 4.267 -1.182 1.00 44.23 H new ATOM 947 N ASP A 63 17.676 3.999 -3.592 1.00 12.41 N ATOM 948 CA ASP A 63 19.061 3.827 -4.013 1.00 14.12 C ATOM 949 C ASP A 63 19.849 3.141 -2.914 1.00 43.43 C ATOM 950 O ASP A 63 20.800 2.409 -3.177 1.00 61.23 O ATOM 951 CB ASP A 63 19.679 5.206 -4.267 1.00 11.43 C ATOM 952 CG ASP A 63 19.519 6.101 -3.050 1.00 11.03 C ATOM 953 OD1 ASP A 63 18.413 6.654 -2.884 1.00 61.52 O ATOM 954 OD2 ASP A 63 20.442 6.172 -2.216 1.00 71.43 O ATOM 0 H ASP A 63 17.487 4.918 -3.191 1.00 12.41 H new ATOM 0 HA ASP A 63 19.090 3.222 -4.919 1.00 14.12 H new ATOM 0 HB2 ASP A 63 20.737 5.097 -4.507 1.00 11.43 H new ATOM 0 HB3 ASP A 63 19.202 5.670 -5.130 1.00 11.43 H new ATOM 959 N SER A 64 19.414 3.351 -1.690 1.00 13.22 N ATOM 960 CA SER A 64 20.105 2.865 -0.534 1.00 30.31 C ATOM 961 C SER A 64 19.886 1.357 -0.367 1.00 73.22 C ATOM 962 O SER A 64 20.806 0.619 -0.009 1.00 55.04 O ATOM 963 CB SER A 64 19.584 3.625 0.669 1.00 43.34 C ATOM 964 OG SER A 64 19.523 5.025 0.385 1.00 62.44 O ATOM 0 H SER A 64 18.562 3.870 -1.477 1.00 13.22 H new ATOM 0 HA SER A 64 21.178 3.023 -0.640 1.00 30.31 H new ATOM 0 HB2 SER A 64 18.593 3.258 0.938 1.00 43.34 H new ATOM 0 HB3 SER A 64 20.233 3.449 1.527 1.00 43.34 H new ATOM 0 HG SER A 64 20.000 5.210 -0.451 1.00 62.44 H new ATOM 970 N ASP A 65 18.677 0.906 -0.637 1.00 11.31 N ATOM 971 CA ASP A 65 18.377 -0.504 -0.585 1.00 64.30 C ATOM 972 C ASP A 65 17.738 -0.885 -1.887 1.00 22.32 C ATOM 973 O ASP A 65 16.673 -0.373 -2.235 1.00 31.10 O ATOM 974 CB ASP A 65 17.444 -0.856 0.567 1.00 23.55 C ATOM 975 CG ASP A 65 17.348 -2.362 0.794 1.00 13.43 C ATOM 976 OD1 ASP A 65 17.045 -3.120 -0.171 1.00 53.03 O ATOM 977 OD2 ASP A 65 17.576 -2.797 1.930 1.00 23.11 O ATOM 0 H ASP A 65 17.888 1.499 -0.895 1.00 11.31 H new ATOM 0 HA ASP A 65 19.304 -1.053 -0.420 1.00 64.30 H new ATOM 0 HB2 ASP A 65 17.798 -0.375 1.479 1.00 23.55 H new ATOM 0 HB3 ASP A 65 16.450 -0.457 0.362 1.00 23.55 H new ATOM 982 N SER A 66 18.401 -1.738 -2.607 1.00 12.15 N ATOM 983 CA SER A 66 17.967 -2.165 -3.906 1.00 73.12 C ATOM 984 C SER A 66 16.675 -3.009 -3.870 1.00 20.43 C ATOM 985 O SER A 66 15.857 -2.928 -4.794 1.00 30.20 O ATOM 986 CB SER A 66 19.105 -2.929 -4.607 1.00 10.30 C ATOM 987 OG SER A 66 18.758 -3.318 -5.928 1.00 51.33 O ATOM 0 H SER A 66 19.276 -2.166 -2.304 1.00 12.15 H new ATOM 0 HA SER A 66 17.721 -1.269 -4.475 1.00 73.12 H new ATOM 0 HB2 SER A 66 19.996 -2.302 -4.637 1.00 10.30 H new ATOM 0 HB3 SER A 66 19.358 -3.815 -4.024 1.00 10.30 H new ATOM 0 HG SER A 66 19.509 -3.798 -6.336 1.00 51.33 H new ATOM 993 N THR A 67 16.477 -3.812 -2.835 1.00 15.14 N ATOM 994 CA THR A 67 15.349 -4.711 -2.867 1.00 12.24 C ATOM 995 C THR A 67 14.203 -4.231 -1.967 1.00 42.43 C ATOM 996 O THR A 67 13.030 -4.606 -2.173 1.00 32.00 O ATOM 997 CB THR A 67 15.784 -6.175 -2.509 1.00 21.23 C ATOM 998 OG1 THR A 67 14.690 -7.092 -2.653 1.00 1.02 O ATOM 999 CG2 THR A 67 16.338 -6.271 -1.090 1.00 43.53 C ATOM 0 H THR A 67 17.059 -3.857 -1.999 1.00 15.14 H new ATOM 0 HA THR A 67 14.968 -4.714 -3.888 1.00 12.24 H new ATOM 0 HB THR A 67 16.574 -6.445 -3.210 1.00 21.23 H new ATOM 0 HG1 THR A 67 14.989 -7.997 -2.425 1.00 1.02 H new ATOM 0 HG21 THR A 67 16.628 -7.301 -0.881 1.00 43.53 H new ATOM 0 HG22 THR A 67 17.209 -5.623 -0.995 1.00 43.53 H new ATOM 0 HG23 THR A 67 15.573 -5.958 -0.379 1.00 43.53 H new ATOM 1007 N ASP A 68 14.494 -3.339 -1.051 1.00 2.23 N ATOM 1008 CA ASP A 68 13.469 -2.849 -0.158 1.00 20.13 C ATOM 1009 C ASP A 68 12.869 -1.609 -0.749 1.00 63.33 C ATOM 1010 O ASP A 68 13.281 -0.484 -0.469 1.00 41.15 O ATOM 1011 CB ASP A 68 14.012 -2.589 1.245 1.00 11.32 C ATOM 1012 CG ASP A 68 12.957 -2.687 2.343 1.00 21.30 C ATOM 1013 OD1 ASP A 68 12.557 -3.835 2.690 1.00 1.34 O ATOM 1014 OD2 ASP A 68 12.580 -1.648 2.925 1.00 5.32 O ATOM 0 H ASP A 68 15.421 -2.940 -0.904 1.00 2.23 H new ATOM 0 HA ASP A 68 12.698 -3.612 -0.050 1.00 20.13 H new ATOM 0 HB2 ASP A 68 14.808 -3.304 1.454 1.00 11.32 H new ATOM 0 HB3 ASP A 68 14.460 -1.596 1.273 1.00 11.32 H new ATOM 1019 N SER A 69 11.986 -1.842 -1.659 1.00 14.33 N ATOM 1020 CA SER A 69 11.290 -0.818 -2.351 1.00 70.31 C ATOM 1021 C SER A 69 9.831 -0.903 -1.978 1.00 1.33 C ATOM 1022 O SER A 69 9.307 -2.008 -1.764 1.00 74.32 O ATOM 1023 CB SER A 69 11.509 -1.005 -3.860 1.00 22.32 C ATOM 1024 OG SER A 69 11.381 -2.390 -4.234 1.00 73.52 O ATOM 0 H SER A 69 11.722 -2.783 -1.950 1.00 14.33 H new ATOM 0 HA SER A 69 11.657 0.172 -2.079 1.00 70.31 H new ATOM 0 HB2 SER A 69 10.784 -0.407 -4.413 1.00 22.32 H new ATOM 0 HB3 SER A 69 12.499 -0.641 -4.135 1.00 22.32 H new ATOM 0 HG SER A 69 11.677 -2.507 -5.161 1.00 73.52 H new ATOM 1030 N LEU A 70 9.168 0.214 -1.907 1.00 14.32 N ATOM 1031 CA LEU A 70 7.803 0.206 -1.495 1.00 2.20 C ATOM 1032 C LEU A 70 6.954 0.111 -2.732 1.00 62.10 C ATOM 1033 O LEU A 70 6.930 1.008 -3.560 1.00 71.43 O ATOM 1034 CB LEU A 70 7.487 1.466 -0.633 1.00 40.23 C ATOM 1035 CG LEU A 70 6.092 1.570 0.062 1.00 73.30 C ATOM 1036 CD1 LEU A 70 4.967 1.880 -0.920 1.00 32.42 C ATOM 1037 CD2 LEU A 70 5.779 0.300 0.845 1.00 74.33 C ATOM 0 H LEU A 70 9.550 1.134 -2.128 1.00 14.32 H new ATOM 0 HA LEU A 70 7.586 -0.651 -0.857 1.00 2.20 H new ATOM 0 HB2 LEU A 70 8.249 1.534 0.144 1.00 40.23 H new ATOM 0 HB3 LEU A 70 7.604 2.341 -1.272 1.00 40.23 H new ATOM 0 HG LEU A 70 6.152 2.409 0.755 1.00 73.30 H new ATOM 0 HD11 LEU A 70 4.021 1.941 -0.382 1.00 32.42 H new ATOM 0 HD12 LEU A 70 5.166 2.832 -1.413 1.00 32.42 H new ATOM 0 HD13 LEU A 70 4.909 1.089 -1.668 1.00 32.42 H new ATOM 0 HD21 LEU A 70 4.803 0.397 1.320 1.00 74.33 H new ATOM 0 HD22 LEU A 70 5.770 -0.553 0.166 1.00 74.33 H new ATOM 0 HD23 LEU A 70 6.541 0.147 1.609 1.00 74.33 H new ATOM 1049 N GLN A 71 6.325 -1.005 -2.864 1.00 61.30 N ATOM 1050 CA GLN A 71 5.476 -1.305 -3.968 1.00 25.20 C ATOM 1051 C GLN A 71 4.160 -1.814 -3.439 1.00 42.21 C ATOM 1052 O GLN A 71 4.119 -2.837 -2.735 1.00 14.35 O ATOM 1053 CB GLN A 71 6.178 -2.330 -4.865 1.00 5.15 C ATOM 1054 CG GLN A 71 5.317 -3.003 -5.918 1.00 73.44 C ATOM 1055 CD GLN A 71 6.145 -3.889 -6.828 1.00 44.44 C ATOM 1056 OE1 GLN A 71 7.215 -4.410 -6.421 1.00 3.24 O ATOM 1057 NE2 GLN A 71 5.670 -4.118 -8.016 1.00 53.13 N ATOM 0 H GLN A 71 6.389 -1.762 -2.183 1.00 61.30 H new ATOM 0 HA GLN A 71 5.275 -0.419 -4.570 1.00 25.20 H new ATOM 0 HB2 GLN A 71 7.008 -1.833 -5.368 1.00 5.15 H new ATOM 0 HB3 GLN A 71 6.608 -3.104 -4.229 1.00 5.15 H new ATOM 0 HG2 GLN A 71 4.545 -3.599 -5.432 1.00 73.44 H new ATOM 0 HG3 GLN A 71 4.807 -2.245 -6.512 1.00 73.44 H new ATOM 0 HE21 GLN A 71 4.799 -3.677 -8.311 1.00 53.13 H new ATOM 0 HE22 GLN A 71 6.168 -4.739 -8.654 1.00 53.13 H new ATOM 1066 N VAL A 72 3.114 -1.084 -3.723 1.00 22.43 N ATOM 1067 CA VAL A 72 1.786 -1.441 -3.287 1.00 13.04 C ATOM 1068 C VAL A 72 0.887 -1.554 -4.494 1.00 64.21 C ATOM 1069 O VAL A 72 0.748 -0.593 -5.255 1.00 62.03 O ATOM 1070 CB VAL A 72 1.185 -0.361 -2.328 1.00 22.34 C ATOM 1071 CG1 VAL A 72 -0.224 -0.736 -1.879 1.00 62.42 C ATOM 1072 CG2 VAL A 72 2.074 -0.140 -1.118 1.00 44.12 C ATOM 0 H VAL A 72 3.157 -0.221 -4.265 1.00 22.43 H new ATOM 0 HA VAL A 72 1.851 -2.388 -2.751 1.00 13.04 H new ATOM 0 HB VAL A 72 1.130 0.570 -2.892 1.00 22.34 H new ATOM 0 HG11 VAL A 72 -0.611 0.036 -1.214 1.00 62.42 H new ATOM 0 HG12 VAL A 72 -0.873 -0.823 -2.751 1.00 62.42 H new ATOM 0 HG13 VAL A 72 -0.196 -1.689 -1.351 1.00 62.42 H new ATOM 0 HG21 VAL A 72 1.628 0.616 -0.472 1.00 44.12 H new ATOM 0 HG22 VAL A 72 2.176 -1.074 -0.566 1.00 44.12 H new ATOM 0 HG23 VAL A 72 3.057 0.197 -1.446 1.00 44.12 H new ATOM 1082 N ALA A 73 0.286 -2.696 -4.653 1.00 65.31 N ATOM 1083 CA ALA A 73 -0.651 -2.932 -5.709 1.00 32.51 C ATOM 1084 C ALA A 73 -2.040 -2.980 -5.108 1.00 64.34 C ATOM 1085 O ALA A 73 -2.262 -3.649 -4.094 1.00 32.32 O ATOM 1086 CB ALA A 73 -0.329 -4.235 -6.429 1.00 0.23 C ATOM 0 H ALA A 73 0.436 -3.500 -4.044 1.00 65.31 H new ATOM 0 HA ALA A 73 -0.594 -2.130 -6.444 1.00 32.51 H new ATOM 0 HB1 ALA A 73 -1.052 -4.397 -7.228 1.00 0.23 H new ATOM 0 HB2 ALA A 73 0.674 -4.178 -6.853 1.00 0.23 H new ATOM 0 HB3 ALA A 73 -0.378 -5.063 -5.722 1.00 0.23 H new ATOM 1092 N MET A 74 -2.941 -2.260 -5.694 1.00 62.21 N ATOM 1093 CA MET A 74 -4.298 -2.148 -5.208 1.00 13.21 C ATOM 1094 C MET A 74 -5.193 -2.736 -6.256 1.00 73.00 C ATOM 1095 O MET A 74 -5.101 -2.352 -7.410 1.00 0.43 O ATOM 1096 CB MET A 74 -4.673 -0.669 -5.064 1.00 5.40 C ATOM 1097 CG MET A 74 -3.586 0.199 -4.470 1.00 14.21 C ATOM 1098 SD MET A 74 -4.059 1.928 -4.387 1.00 31.34 S ATOM 1099 CE MET A 74 -2.482 2.650 -3.994 1.00 71.13 C ATOM 0 H MET A 74 -2.762 -1.719 -6.540 1.00 62.21 H new ATOM 0 HA MET A 74 -4.397 -2.653 -4.247 1.00 13.21 H new ATOM 0 HB2 MET A 74 -4.937 -0.277 -6.046 1.00 5.40 H new ATOM 0 HB3 MET A 74 -5.563 -0.592 -4.440 1.00 5.40 H new ATOM 0 HG2 MET A 74 -3.347 -0.158 -3.468 1.00 14.21 H new ATOM 0 HG3 MET A 74 -2.680 0.101 -5.068 1.00 14.21 H new ATOM 0 HE1 MET A 74 -2.574 3.736 -3.974 1.00 71.13 H new ATOM 0 HE2 MET A 74 -2.153 2.296 -3.017 1.00 71.13 H new ATOM 0 HE3 MET A 74 -1.751 2.362 -4.750 1.00 71.13 H new ATOM 1109 N LYS A 75 -6.034 -3.651 -5.888 1.00 5.11 N ATOM 1110 CA LYS A 75 -6.914 -4.262 -6.841 1.00 15.15 C ATOM 1111 C LYS A 75 -8.347 -3.950 -6.477 1.00 61.53 C ATOM 1112 O LYS A 75 -8.785 -4.250 -5.365 1.00 2.30 O ATOM 1113 CB LYS A 75 -6.709 -5.776 -6.874 1.00 70.22 C ATOM 1114 CG LYS A 75 -7.361 -6.463 -8.065 1.00 41.41 C ATOM 1115 CD LYS A 75 -6.691 -5.995 -9.361 1.00 11.24 C ATOM 1116 CE LYS A 75 -7.236 -6.651 -10.614 1.00 72.42 C ATOM 1117 NZ LYS A 75 -6.455 -6.248 -11.830 1.00 23.12 N ATOM 0 H LYS A 75 -6.132 -3.994 -4.932 1.00 5.11 H new ATOM 0 HA LYS A 75 -6.690 -3.861 -7.830 1.00 15.15 H new ATOM 0 HB2 LYS A 75 -5.640 -5.987 -6.886 1.00 70.22 H new ATOM 0 HB3 LYS A 75 -7.109 -6.207 -5.956 1.00 70.22 H new ATOM 0 HG2 LYS A 75 -7.270 -7.545 -7.968 1.00 41.41 H new ATOM 0 HG3 LYS A 75 -8.426 -6.233 -8.091 1.00 41.41 H new ATOM 0 HD2 LYS A 75 -6.810 -4.915 -9.449 1.00 11.24 H new ATOM 0 HD3 LYS A 75 -5.621 -6.194 -9.296 1.00 11.24 H new ATOM 0 HE2 LYS A 75 -7.203 -7.735 -10.502 1.00 72.42 H new ATOM 0 HE3 LYS A 75 -8.282 -6.375 -10.745 1.00 72.42 H new ATOM 0 HZ1 LYS A 75 -7.065 -6.308 -12.670 1.00 23.12 H new ATOM 0 HZ2 LYS A 75 -6.117 -5.271 -11.717 1.00 23.12 H new ATOM 0 HZ3 LYS A 75 -5.641 -6.885 -11.947 1.00 23.12 H new ATOM 1131 N LYS A 76 -9.066 -3.401 -7.416 1.00 52.42 N ATOM 1132 CA LYS A 76 -10.432 -2.994 -7.210 1.00 30.44 C ATOM 1133 C LYS A 76 -11.334 -4.194 -7.330 1.00 41.22 C ATOM 1134 O LYS A 76 -11.291 -4.920 -8.330 1.00 51.24 O ATOM 1135 CB LYS A 76 -10.832 -1.970 -8.266 1.00 51.32 C ATOM 1136 CG LYS A 76 -12.258 -1.430 -8.131 1.00 10.32 C ATOM 1137 CD LYS A 76 -12.617 -0.525 -9.303 1.00 13.02 C ATOM 1138 CE LYS A 76 -12.741 -1.323 -10.596 1.00 54.41 C ATOM 1139 NZ LYS A 76 -12.904 -0.447 -11.781 1.00 1.30 N ATOM 0 H LYS A 76 -8.718 -3.221 -8.358 1.00 52.42 H new ATOM 0 HA LYS A 76 -10.526 -2.552 -6.218 1.00 30.44 H new ATOM 0 HB2 LYS A 76 -10.136 -1.132 -8.221 1.00 51.32 H new ATOM 0 HB3 LYS A 76 -10.722 -2.423 -9.251 1.00 51.32 H new ATOM 0 HG2 LYS A 76 -12.961 -2.261 -8.081 1.00 10.32 H new ATOM 0 HG3 LYS A 76 -12.353 -0.876 -7.197 1.00 10.32 H new ATOM 0 HD2 LYS A 76 -13.557 -0.013 -9.096 1.00 13.02 H new ATOM 0 HD3 LYS A 76 -11.854 0.245 -9.419 1.00 13.02 H new ATOM 0 HE2 LYS A 76 -11.854 -1.944 -10.724 1.00 54.41 H new ATOM 0 HE3 LYS A 76 -13.594 -1.997 -10.524 1.00 54.41 H new ATOM 0 HZ1 LYS A 76 -13.069 -1.032 -12.625 1.00 1.30 H new ATOM 0 HZ2 LYS A 76 -13.715 0.187 -11.635 1.00 1.30 H new ATOM 0 HZ3 LYS A 76 -12.042 0.119 -11.915 1.00 1.30 H new ATOM 1153 N LEU A 77 -12.128 -4.389 -6.331 1.00 74.24 N ATOM 1154 CA LEU A 77 -13.052 -5.484 -6.280 1.00 54.32 C ATOM 1155 C LEU A 77 -14.459 -4.943 -6.523 1.00 54.55 C ATOM 1156 O LEU A 77 -14.773 -3.816 -6.120 1.00 15.12 O ATOM 1157 CB LEU A 77 -12.966 -6.201 -4.920 1.00 12.45 C ATOM 1158 CG LEU A 77 -11.586 -6.759 -4.533 1.00 33.04 C ATOM 1159 CD1 LEU A 77 -11.637 -7.398 -3.157 1.00 62.22 C ATOM 1160 CD2 LEU A 77 -11.090 -7.763 -5.568 1.00 24.04 C ATOM 0 H LEU A 77 -12.157 -3.784 -5.510 1.00 74.24 H new ATOM 0 HA LEU A 77 -12.805 -6.214 -7.051 1.00 54.32 H new ATOM 0 HB2 LEU A 77 -13.284 -5.504 -4.144 1.00 12.45 H new ATOM 0 HB3 LEU A 77 -13.681 -7.024 -4.921 1.00 12.45 H new ATOM 0 HG LEU A 77 -10.883 -5.927 -4.505 1.00 33.04 H new ATOM 0 HD11 LEU A 77 -10.652 -7.787 -2.900 1.00 62.22 H new ATOM 0 HD12 LEU A 77 -11.936 -6.652 -2.420 1.00 62.22 H new ATOM 0 HD13 LEU A 77 -12.360 -8.214 -3.161 1.00 62.22 H new ATOM 0 HD21 LEU A 77 -10.112 -8.141 -5.269 1.00 24.04 H new ATOM 0 HD22 LEU A 77 -11.794 -8.592 -5.637 1.00 24.04 H new ATOM 0 HD23 LEU A 77 -11.008 -7.274 -6.539 1.00 24.04 H new ATOM 1172 N PRO A 78 -15.340 -5.732 -7.164 1.00 35.13 N ATOM 1173 CA PRO A 78 -16.700 -5.287 -7.535 1.00 31.30 C ATOM 1174 C PRO A 78 -17.637 -5.168 -6.326 1.00 74.34 C ATOM 1175 O PRO A 78 -18.807 -4.844 -6.455 1.00 50.23 O ATOM 1176 CB PRO A 78 -17.185 -6.387 -8.488 1.00 22.24 C ATOM 1177 CG PRO A 78 -16.415 -7.605 -8.103 1.00 73.10 C ATOM 1178 CD PRO A 78 -15.090 -7.134 -7.563 1.00 3.33 C ATOM 0 HA PRO A 78 -16.693 -4.291 -7.977 1.00 31.30 H new ATOM 0 HB2 PRO A 78 -18.258 -6.551 -8.387 1.00 22.24 H new ATOM 0 HB3 PRO A 78 -17.001 -6.117 -9.528 1.00 22.24 H new ATOM 0 HG2 PRO A 78 -16.955 -8.181 -7.352 1.00 73.10 H new ATOM 0 HG3 PRO A 78 -16.271 -8.258 -8.963 1.00 73.10 H new ATOM 0 HD2 PRO A 78 -14.768 -7.738 -6.715 1.00 3.33 H new ATOM 0 HD3 PRO A 78 -14.306 -7.200 -8.317 1.00 3.33 H new ATOM 1186 N ASN A 79 -17.094 -5.415 -5.165 1.00 25.33 N ATOM 1187 CA ASN A 79 -17.830 -5.339 -3.918 1.00 73.42 C ATOM 1188 C ASN A 79 -17.598 -3.983 -3.273 1.00 60.31 C ATOM 1189 O ASN A 79 -17.984 -3.769 -2.134 1.00 21.42 O ATOM 1190 CB ASN A 79 -17.346 -6.437 -2.951 1.00 34.22 C ATOM 1191 CG ASN A 79 -17.461 -7.840 -3.518 1.00 41.13 C ATOM 1192 OD1 ASN A 79 -16.545 -8.328 -4.174 1.00 3.55 O ATOM 1193 ND2 ASN A 79 -18.564 -8.503 -3.262 1.00 24.03 N ATOM 0 H ASN A 79 -16.115 -5.679 -5.050 1.00 25.33 H new ATOM 0 HA ASN A 79 -18.891 -5.478 -4.127 1.00 73.42 H new ATOM 0 HB2 ASN A 79 -16.306 -6.245 -2.688 1.00 34.22 H new ATOM 0 HB3 ASN A 79 -17.924 -6.378 -2.029 1.00 34.22 H new ATOM 0 HD21 ASN A 79 -18.680 -9.454 -3.611 1.00 24.03 H new ATOM 0 HD22 ASN A 79 -19.305 -8.067 -2.714 1.00 24.03 H new ATOM 1200 N ASN A 80 -16.967 -3.064 -4.042 1.00 12.52 N ATOM 1201 CA ASN A 80 -16.558 -1.716 -3.552 1.00 52.12 C ATOM 1202 C ASN A 80 -15.474 -1.870 -2.514 1.00 43.23 C ATOM 1203 O ASN A 80 -15.277 -1.029 -1.650 1.00 44.40 O ATOM 1204 CB ASN A 80 -17.741 -0.878 -3.002 1.00 32.20 C ATOM 1205 CG ASN A 80 -18.704 -0.419 -4.081 1.00 41.22 C ATOM 1206 OD1 ASN A 80 -18.535 0.645 -4.668 1.00 31.13 O ATOM 1207 ND2 ASN A 80 -19.725 -1.201 -4.338 1.00 31.30 N ATOM 0 H ASN A 80 -16.725 -3.231 -5.019 1.00 12.52 H new ATOM 0 HA ASN A 80 -16.176 -1.159 -4.407 1.00 52.12 H new ATOM 0 HB2 ASN A 80 -18.286 -1.470 -2.267 1.00 32.20 H new ATOM 0 HB3 ASN A 80 -17.348 -0.005 -2.481 1.00 32.20 H new ATOM 0 HD21 ASN A 80 -20.409 -0.931 -5.045 1.00 31.30 H new ATOM 0 HD22 ASN A 80 -19.835 -2.079 -3.831 1.00 31.30 H new ATOM 1214 N ALA A 81 -14.738 -2.933 -2.676 1.00 53.11 N ATOM 1215 CA ALA A 81 -13.665 -3.303 -1.814 1.00 15.24 C ATOM 1216 C ALA A 81 -12.400 -3.293 -2.624 1.00 55.22 C ATOM 1217 O ALA A 81 -12.459 -3.292 -3.850 1.00 53.15 O ATOM 1218 CB ALA A 81 -13.910 -4.684 -1.237 1.00 1.24 C ATOM 0 H ALA A 81 -14.880 -3.588 -3.445 1.00 53.11 H new ATOM 0 HA ALA A 81 -13.586 -2.602 -0.983 1.00 15.24 H new ATOM 0 HB1 ALA A 81 -13.084 -4.956 -0.580 1.00 1.24 H new ATOM 0 HB2 ALA A 81 -14.840 -4.681 -0.668 1.00 1.24 H new ATOM 0 HB3 ALA A 81 -13.983 -5.409 -2.047 1.00 1.24 H new ATOM 1224 N THR A 82 -11.284 -3.254 -1.980 1.00 14.20 N ATOM 1225 CA THR A 82 -10.034 -3.229 -2.669 1.00 4.25 C ATOM 1226 C THR A 82 -9.033 -4.142 -1.945 1.00 50.51 C ATOM 1227 O THR A 82 -8.965 -4.142 -0.708 1.00 64.14 O ATOM 1228 CB THR A 82 -9.502 -1.778 -2.723 1.00 43.41 C ATOM 1229 OG1 THR A 82 -10.496 -0.923 -3.294 1.00 44.22 O ATOM 1230 CG2 THR A 82 -8.236 -1.677 -3.542 1.00 14.12 C ATOM 0 H THR A 82 -11.209 -3.238 -0.963 1.00 14.20 H new ATOM 0 HA THR A 82 -10.167 -3.591 -3.688 1.00 4.25 H new ATOM 0 HB THR A 82 -9.275 -1.470 -1.702 1.00 43.41 H new ATOM 0 HG1 THR A 82 -11.095 -0.601 -2.588 1.00 44.22 H new ATOM 0 HG21 THR A 82 -7.893 -0.642 -3.556 1.00 14.12 H new ATOM 0 HG22 THR A 82 -7.465 -2.308 -3.100 1.00 14.12 H new ATOM 0 HG23 THR A 82 -8.435 -2.007 -4.562 1.00 14.12 H new ATOM 1238 N ARG A 83 -8.306 -4.952 -2.688 1.00 14.14 N ATOM 1239 CA ARG A 83 -7.314 -5.785 -2.094 1.00 54.03 C ATOM 1240 C ARG A 83 -5.946 -5.207 -2.381 1.00 32.31 C ATOM 1241 O ARG A 83 -5.653 -4.846 -3.504 1.00 61.24 O ATOM 1242 CB ARG A 83 -7.403 -7.234 -2.578 1.00 53.10 C ATOM 1243 CG ARG A 83 -6.417 -8.132 -1.858 1.00 3.34 C ATOM 1244 CD ARG A 83 -6.457 -9.568 -2.318 1.00 4.13 C ATOM 1245 NE ARG A 83 -7.767 -10.210 -2.120 1.00 11.33 N ATOM 1246 CZ ARG A 83 -7.958 -11.391 -1.481 1.00 50.41 C ATOM 1247 NH1 ARG A 83 -6.922 -12.020 -0.895 1.00 3.22 N ATOM 1248 NH2 ARG A 83 -9.184 -11.916 -1.404 1.00 34.55 N ATOM 0 H ARG A 83 -8.393 -5.042 -3.700 1.00 14.14 H new ATOM 0 HA ARG A 83 -7.489 -5.808 -1.018 1.00 54.03 H new ATOM 0 HB2 ARG A 83 -8.415 -7.607 -2.422 1.00 53.10 H new ATOM 0 HB3 ARG A 83 -7.212 -7.271 -3.650 1.00 53.10 H new ATOM 0 HG2 ARG A 83 -5.410 -7.741 -2.003 1.00 3.34 H new ATOM 0 HG3 ARG A 83 -6.621 -8.097 -0.788 1.00 3.34 H new ATOM 0 HD2 ARG A 83 -6.196 -9.610 -3.376 1.00 4.13 H new ATOM 0 HD3 ARG A 83 -5.698 -10.135 -1.780 1.00 4.13 H new ATOM 0 HE ARG A 83 -8.589 -9.733 -2.490 1.00 11.33 H new ATOM 0 HH11 ARG A 83 -5.989 -11.609 -0.931 1.00 3.22 H new ATOM 0 HH12 ARG A 83 -7.070 -12.908 -0.415 1.00 3.22 H new ATOM 0 HH21 ARG A 83 -9.975 -11.429 -1.825 1.00 34.55 H new ATOM 0 HH22 ARG A 83 -9.329 -12.804 -0.924 1.00 34.55 H new ATOM 1262 N ILE A 84 -5.136 -5.121 -1.379 1.00 14.24 N ATOM 1263 CA ILE A 84 -3.825 -4.555 -1.487 1.00 24.11 C ATOM 1264 C ILE A 84 -2.792 -5.637 -1.294 1.00 41.32 C ATOM 1265 O ILE A 84 -2.926 -6.511 -0.425 1.00 54.12 O ATOM 1266 CB ILE A 84 -3.604 -3.363 -0.460 1.00 73.32 C ATOM 1267 CG1 ILE A 84 -4.001 -2.014 -1.066 1.00 32.30 C ATOM 1268 CG2 ILE A 84 -2.191 -3.297 0.100 1.00 15.54 C ATOM 1269 CD1 ILE A 84 -5.459 -1.875 -1.389 1.00 40.10 C ATOM 0 H ILE A 84 -5.368 -5.448 -0.441 1.00 14.24 H new ATOM 0 HA ILE A 84 -3.718 -4.130 -2.485 1.00 24.11 H new ATOM 0 HB ILE A 84 -4.265 -3.580 0.379 1.00 73.32 H new ATOM 0 HG12 ILE A 84 -3.720 -1.223 -0.371 1.00 32.30 H new ATOM 0 HG13 ILE A 84 -3.425 -1.857 -1.978 1.00 32.30 H new ATOM 0 HG21 ILE A 84 -2.113 -2.460 0.794 1.00 15.54 H new ATOM 0 HG22 ILE A 84 -1.964 -4.225 0.625 1.00 15.54 H new ATOM 0 HG23 ILE A 84 -1.482 -3.159 -0.716 1.00 15.54 H new ATOM 0 HD11 ILE A 84 -5.645 -0.888 -1.813 1.00 40.10 H new ATOM 0 HD12 ILE A 84 -5.746 -2.640 -2.110 1.00 40.10 H new ATOM 0 HD13 ILE A 84 -6.046 -1.995 -0.479 1.00 40.10 H new ATOM 1281 N SER A 85 -1.831 -5.622 -2.159 1.00 21.23 N ATOM 1282 CA SER A 85 -0.729 -6.534 -2.125 1.00 74.20 C ATOM 1283 C SER A 85 0.548 -5.720 -2.080 1.00 31.11 C ATOM 1284 O SER A 85 0.733 -4.798 -2.881 1.00 54.34 O ATOM 1285 CB SER A 85 -0.774 -7.430 -3.359 1.00 1.04 C ATOM 1286 OG SER A 85 -2.033 -8.084 -3.429 1.00 51.13 O ATOM 0 H SER A 85 -1.787 -4.957 -2.931 1.00 21.23 H new ATOM 0 HA SER A 85 -0.776 -7.177 -1.246 1.00 74.20 H new ATOM 0 HB2 SER A 85 -0.611 -6.836 -4.258 1.00 1.04 H new ATOM 0 HB3 SER A 85 0.028 -8.167 -3.315 1.00 1.04 H new ATOM 0 HG SER A 85 -2.060 -8.657 -4.223 1.00 51.13 H new ATOM 1292 N ILE A 86 1.383 -6.007 -1.124 1.00 74.40 N ATOM 1293 CA ILE A 86 2.601 -5.266 -0.937 1.00 11.52 C ATOM 1294 C ILE A 86 3.803 -6.188 -1.087 1.00 2.22 C ATOM 1295 O ILE A 86 3.742 -7.367 -0.718 1.00 74.02 O ATOM 1296 CB ILE A 86 2.604 -4.494 0.427 1.00 30.34 C ATOM 1297 CG1 ILE A 86 1.396 -3.541 0.460 1.00 54.11 C ATOM 1298 CG2 ILE A 86 3.905 -3.713 0.622 1.00 60.32 C ATOM 1299 CD1 ILE A 86 1.299 -2.654 1.682 1.00 75.31 C ATOM 0 H ILE A 86 1.241 -6.760 -0.451 1.00 74.40 H new ATOM 0 HA ILE A 86 2.668 -4.505 -1.714 1.00 11.52 H new ATOM 0 HB ILE A 86 2.532 -5.214 1.242 1.00 30.34 H new ATOM 0 HG12 ILE A 86 1.431 -2.907 -0.426 1.00 54.11 H new ATOM 0 HG13 ILE A 86 0.485 -4.135 0.391 1.00 54.11 H new ATOM 0 HG21 ILE A 86 3.875 -3.189 1.577 1.00 60.32 H new ATOM 0 HG22 ILE A 86 4.749 -4.403 0.613 1.00 60.32 H new ATOM 0 HG23 ILE A 86 4.020 -2.990 -0.185 1.00 60.32 H new ATOM 0 HD11 ILE A 86 0.414 -2.023 1.604 1.00 75.31 H new ATOM 0 HD12 ILE A 86 1.226 -3.273 2.576 1.00 75.31 H new ATOM 0 HD13 ILE A 86 2.187 -2.026 1.747 1.00 75.31 H new ATOM 1311 N LYS A 87 4.886 -5.641 -1.583 1.00 11.24 N ATOM 1312 CA LYS A 87 6.065 -6.386 -1.922 1.00 21.32 C ATOM 1313 C LYS A 87 7.144 -6.015 -0.916 1.00 10.12 C ATOM 1314 O LYS A 87 7.382 -4.845 -0.639 1.00 33.33 O ATOM 1315 CB LYS A 87 6.473 -5.980 -3.373 1.00 21.35 C ATOM 1316 CG LYS A 87 7.641 -6.741 -4.058 1.00 53.52 C ATOM 1317 CD LYS A 87 9.029 -6.459 -3.459 1.00 31.32 C ATOM 1318 CE LYS A 87 9.415 -4.972 -3.478 1.00 1.34 C ATOM 1319 NZ LYS A 87 9.488 -4.405 -4.850 1.00 34.54 N ATOM 0 H LYS A 87 4.970 -4.641 -1.765 1.00 11.24 H new ATOM 0 HA LYS A 87 5.908 -7.464 -1.888 1.00 21.32 H new ATOM 0 HB2 LYS A 87 5.592 -6.086 -4.006 1.00 21.35 H new ATOM 0 HB3 LYS A 87 6.730 -4.921 -3.360 1.00 21.35 H new ATOM 0 HG2 LYS A 87 7.445 -7.811 -3.997 1.00 53.52 H new ATOM 0 HG3 LYS A 87 7.657 -6.479 -5.116 1.00 53.52 H new ATOM 0 HD2 LYS A 87 9.052 -6.819 -2.430 1.00 31.32 H new ATOM 0 HD3 LYS A 87 9.777 -7.027 -4.012 1.00 31.32 H new ATOM 0 HE2 LYS A 87 8.687 -4.407 -2.896 1.00 1.34 H new ATOM 0 HE3 LYS A 87 10.381 -4.847 -2.988 1.00 1.34 H new ATOM 0 HZ1 LYS A 87 10.019 -3.511 -4.828 1.00 34.54 H new ATOM 0 HZ2 LYS A 87 9.970 -5.079 -5.479 1.00 34.54 H new ATOM 0 HZ3 LYS A 87 8.526 -4.228 -5.204 1.00 34.54 H new ATOM 1333 N TYR A 88 7.770 -7.031 -0.387 1.00 3.33 N ATOM 1334 CA TYR A 88 8.749 -6.921 0.672 1.00 51.40 C ATOM 1335 C TYR A 88 10.151 -7.023 0.132 1.00 13.22 C ATOM 1336 O TYR A 88 10.376 -7.660 -0.887 1.00 45.35 O ATOM 1337 CB TYR A 88 8.511 -8.025 1.729 1.00 65.43 C ATOM 1338 CG TYR A 88 8.573 -9.478 1.211 1.00 0.33 C ATOM 1339 CD1 TYR A 88 7.641 -9.952 0.297 1.00 64.20 C ATOM 1340 CD2 TYR A 88 9.540 -10.372 1.667 1.00 33.33 C ATOM 1341 CE1 TYR A 88 7.663 -11.249 -0.151 1.00 61.02 C ATOM 1342 CE2 TYR A 88 9.565 -11.687 1.211 1.00 72.41 C ATOM 1343 CZ TYR A 88 8.615 -12.112 0.298 1.00 0.22 C ATOM 1344 OH TYR A 88 8.596 -13.411 -0.144 1.00 24.44 O ATOM 0 H TYR A 88 7.611 -7.992 -0.688 1.00 3.33 H new ATOM 0 HA TYR A 88 8.634 -5.942 1.137 1.00 51.40 H new ATOM 0 HB2 TYR A 88 9.252 -7.910 2.520 1.00 65.43 H new ATOM 0 HB3 TYR A 88 7.533 -7.863 2.182 1.00 65.43 H new ATOM 0 HD1 TYR A 88 6.878 -9.282 -0.071 1.00 64.20 H new ATOM 0 HD2 TYR A 88 10.278 -10.041 2.382 1.00 33.33 H new ATOM 0 HE1 TYR A 88 6.923 -11.586 -0.862 1.00 61.02 H new ATOM 0 HE2 TYR A 88 10.321 -12.371 1.567 1.00 72.41 H new ATOM 0 HH TYR A 88 8.032 -13.950 0.449 1.00 24.44 H new ATOM 1354 N GLY A 89 11.072 -6.389 0.804 1.00 25.34 N ATOM 1355 CA GLY A 89 12.433 -6.479 0.413 1.00 60.53 C ATOM 1356 C GLY A 89 13.295 -6.986 1.528 1.00 1.43 C ATOM 1357 O GLY A 89 13.066 -8.072 2.048 1.00 61.40 O ATOM 0 H GLY A 89 10.895 -5.807 1.623 1.00 25.34 H new ATOM 0 HA2 GLY A 89 12.522 -7.143 -0.447 1.00 60.53 H new ATOM 0 HA3 GLY A 89 12.787 -5.498 0.096 1.00 60.53 H new ATOM 1361 N SER A 90 14.216 -6.169 1.943 1.00 54.41 N ATOM 1362 CA SER A 90 15.216 -6.531 2.917 1.00 13.43 C ATOM 1363 C SER A 90 14.636 -6.532 4.347 1.00 5.22 C ATOM 1364 O SER A 90 14.971 -7.387 5.163 1.00 34.40 O ATOM 1365 CB SER A 90 16.389 -5.540 2.784 1.00 64.21 C ATOM 1366 OG SER A 90 17.494 -5.871 3.595 1.00 4.23 O ATOM 0 H SER A 90 14.300 -5.209 1.609 1.00 54.41 H new ATOM 0 HA SER A 90 15.566 -7.546 2.730 1.00 13.43 H new ATOM 0 HB2 SER A 90 16.709 -5.505 1.743 1.00 64.21 H new ATOM 0 HB3 SER A 90 16.042 -4.540 3.045 1.00 64.21 H new ATOM 0 HG SER A 90 18.204 -5.208 3.466 1.00 4.23 H new ATOM 1372 N GLN A 91 13.721 -5.612 4.623 1.00 2.44 N ATOM 1373 CA GLN A 91 13.203 -5.455 5.984 1.00 32.15 C ATOM 1374 C GLN A 91 11.984 -6.317 6.279 1.00 44.11 C ATOM 1375 O GLN A 91 11.554 -6.386 7.425 1.00 41.11 O ATOM 1376 CB GLN A 91 12.843 -3.999 6.261 1.00 61.50 C ATOM 1377 CG GLN A 91 14.023 -3.052 6.397 1.00 65.13 C ATOM 1378 CD GLN A 91 13.579 -1.609 6.581 1.00 75.51 C ATOM 1379 OE1 GLN A 91 12.518 -1.233 5.909 1.00 72.31 O flip ATOM 1380 NE2 GLN A 91 14.237 -0.820 7.259 1.00 73.20 N flip ATOM 0 H GLN A 91 13.324 -4.970 3.937 1.00 2.44 H new ATOM 0 HA GLN A 91 14.010 -5.787 6.638 1.00 32.15 H new ATOM 0 HB2 GLN A 91 12.202 -3.641 5.455 1.00 61.50 H new ATOM 0 HB3 GLN A 91 12.256 -3.955 7.178 1.00 61.50 H new ATOM 0 HG2 GLN A 91 14.634 -3.354 7.248 1.00 65.13 H new ATOM 0 HG3 GLN A 91 14.652 -3.127 5.510 1.00 65.13 H new ATOM 0 HE21 GLN A 91 15.057 -1.147 7.769 1.00 73.20 H new ATOM 0 HE22 GLN A 91 13.962 0.161 7.311 1.00 73.20 H new ATOM 1389 N GLY A 92 11.443 -6.985 5.269 1.00 21.43 N ATOM 1390 CA GLY A 92 10.173 -7.679 5.467 1.00 73.22 C ATOM 1391 C GLY A 92 9.090 -6.636 5.688 1.00 55.42 C ATOM 1392 O GLY A 92 8.779 -6.258 6.823 1.00 51.12 O ATOM 0 H GLY A 92 11.844 -7.062 4.335 1.00 21.43 H new ATOM 0 HA2 GLY A 92 9.937 -8.294 4.599 1.00 73.22 H new ATOM 0 HA3 GLY A 92 10.236 -8.349 6.324 1.00 73.22 H new ATOM 1396 N ASN A 93 8.492 -6.189 4.602 1.00 4.13 N ATOM 1397 CA ASN A 93 7.626 -5.011 4.615 1.00 43.44 C ATOM 1398 C ASN A 93 6.387 -5.143 5.510 1.00 53.25 C ATOM 1399 O ASN A 93 5.806 -4.155 5.847 1.00 62.14 O ATOM 1400 CB ASN A 93 7.232 -4.589 3.185 1.00 53.31 C ATOM 1401 CG ASN A 93 6.573 -3.210 3.132 1.00 5.30 C ATOM 1402 OD1 ASN A 93 5.370 -3.074 3.281 1.00 2.14 O ATOM 1403 ND2 ASN A 93 7.362 -2.185 2.899 1.00 31.12 N ATOM 0 H ASN A 93 8.587 -6.625 3.685 1.00 4.13 H new ATOM 0 HA ASN A 93 8.227 -4.221 5.066 1.00 43.44 H new ATOM 0 HB2 ASN A 93 8.121 -4.586 2.555 1.00 53.31 H new ATOM 0 HB3 ASN A 93 6.549 -5.329 2.768 1.00 53.31 H new ATOM 0 HD21 ASN A 93 6.972 -1.245 2.839 1.00 31.12 H new ATOM 0 HD22 ASN A 93 8.364 -2.330 2.779 1.00 31.12 H new ATOM 1410 N SER A 94 6.038 -6.354 5.942 1.00 23.43 N ATOM 1411 CA SER A 94 4.847 -6.597 6.779 1.00 42.31 C ATOM 1412 C SER A 94 4.725 -5.603 7.963 1.00 33.31 C ATOM 1413 O SER A 94 3.663 -5.031 8.179 1.00 72.22 O ATOM 1414 CB SER A 94 4.887 -8.013 7.302 1.00 63.12 C ATOM 1415 OG SER A 94 5.054 -8.917 6.236 1.00 51.44 O ATOM 0 H SER A 94 6.567 -7.199 5.726 1.00 23.43 H new ATOM 0 HA SER A 94 3.971 -6.444 6.149 1.00 42.31 H new ATOM 0 HB2 SER A 94 5.705 -8.123 8.014 1.00 63.12 H new ATOM 0 HB3 SER A 94 3.965 -8.237 7.838 1.00 63.12 H new ATOM 0 HG SER A 94 4.639 -9.774 6.466 1.00 51.44 H new ATOM 1421 N ILE A 95 5.826 -5.364 8.668 1.00 22.11 N ATOM 1422 CA ILE A 95 5.832 -4.448 9.819 1.00 1.02 C ATOM 1423 C ILE A 95 5.629 -2.992 9.360 1.00 23.32 C ATOM 1424 O ILE A 95 4.905 -2.218 9.988 1.00 44.31 O ATOM 1425 CB ILE A 95 7.142 -4.601 10.700 1.00 24.54 C ATOM 1426 CG1 ILE A 95 7.126 -5.902 11.551 1.00 52.44 C ATOM 1427 CG2 ILE A 95 7.367 -3.395 11.615 1.00 75.44 C ATOM 1428 CD1 ILE A 95 7.077 -7.201 10.774 1.00 21.41 C ATOM 0 H ILE A 95 6.731 -5.790 8.467 1.00 22.11 H new ATOM 0 HA ILE A 95 4.993 -4.723 10.458 1.00 1.02 H new ATOM 0 HB ILE A 95 7.969 -4.658 9.992 1.00 24.54 H new ATOM 0 HG12 ILE A 95 8.015 -5.912 12.181 1.00 52.44 H new ATOM 0 HG13 ILE A 95 6.264 -5.867 12.217 1.00 52.44 H new ATOM 0 HG21 ILE A 95 8.275 -3.545 12.198 1.00 75.44 H new ATOM 0 HG22 ILE A 95 7.469 -2.494 11.011 1.00 75.44 H new ATOM 0 HG23 ILE A 95 6.517 -3.286 12.289 1.00 75.44 H new ATOM 0 HD11 ILE A 95 7.070 -8.041 11.469 1.00 21.41 H new ATOM 0 HD12 ILE A 95 6.174 -7.227 10.165 1.00 21.41 H new ATOM 0 HD13 ILE A 95 7.952 -7.272 10.128 1.00 21.41 H new ATOM 1440 N ARG A 96 6.228 -2.652 8.234 1.00 11.32 N ATOM 1441 CA ARG A 96 6.099 -1.320 7.663 1.00 13.02 C ATOM 1442 C ARG A 96 4.664 -1.131 7.162 1.00 4.52 C ATOM 1443 O ARG A 96 4.039 -0.084 7.361 1.00 33.32 O ATOM 1444 CB ARG A 96 7.082 -1.169 6.497 1.00 64.54 C ATOM 1445 CG ARG A 96 8.541 -1.455 6.862 1.00 44.53 C ATOM 1446 CD ARG A 96 9.055 -0.495 7.925 1.00 24.14 C ATOM 1447 NE ARG A 96 8.944 0.901 7.503 1.00 21.33 N ATOM 1448 CZ ARG A 96 8.163 1.820 8.099 1.00 54.44 C ATOM 1449 NH1 ARG A 96 7.681 1.601 9.334 1.00 55.44 N ATOM 1450 NH2 ARG A 96 7.928 2.983 7.499 1.00 55.31 N ATOM 0 H ARG A 96 6.815 -3.285 7.691 1.00 11.32 H new ATOM 0 HA ARG A 96 6.324 -0.567 8.418 1.00 13.02 H new ATOM 0 HB2 ARG A 96 6.782 -1.843 5.694 1.00 64.54 H new ATOM 0 HB3 ARG A 96 7.010 -0.154 6.105 1.00 64.54 H new ATOM 0 HG2 ARG A 96 8.632 -2.480 7.223 1.00 44.53 H new ATOM 0 HG3 ARG A 96 9.162 -1.375 5.969 1.00 44.53 H new ATOM 0 HD2 ARG A 96 8.493 -0.641 8.847 1.00 24.14 H new ATOM 0 HD3 ARG A 96 10.097 -0.725 8.147 1.00 24.14 H new ATOM 0 HE ARG A 96 9.498 1.199 6.700 1.00 21.33 H new ATOM 0 HH11 ARG A 96 7.907 0.735 9.824 1.00 55.44 H new ATOM 0 HH12 ARG A 96 7.089 2.301 9.782 1.00 55.44 H new ATOM 0 HH21 ARG A 96 8.340 3.179 6.587 1.00 55.31 H new ATOM 0 HH22 ARG A 96 7.336 3.680 7.951 1.00 55.31 H new ATOM 1464 N SER A 97 4.170 -2.180 6.555 1.00 43.21 N ATOM 1465 CA SER A 97 2.855 -2.262 5.988 1.00 51.11 C ATOM 1466 C SER A 97 1.777 -2.129 7.062 1.00 60.20 C ATOM 1467 O SER A 97 0.755 -1.508 6.827 1.00 20.21 O ATOM 1468 CB SER A 97 2.724 -3.592 5.249 1.00 34.20 C ATOM 1469 OG SER A 97 1.476 -3.730 4.638 1.00 40.03 O ATOM 0 H SER A 97 4.704 -3.041 6.439 1.00 43.21 H new ATOM 0 HA SER A 97 2.713 -1.437 5.290 1.00 51.11 H new ATOM 0 HB2 SER A 97 3.507 -3.666 4.495 1.00 34.20 H new ATOM 0 HB3 SER A 97 2.877 -4.413 5.950 1.00 34.20 H new ATOM 0 HG SER A 97 1.216 -4.675 4.635 1.00 40.03 H new ATOM 1475 N SER A 98 2.036 -2.684 8.249 1.00 34.11 N ATOM 1476 CA SER A 98 1.090 -2.619 9.359 1.00 24.40 C ATOM 1477 C SER A 98 0.745 -1.151 9.675 1.00 70.52 C ATOM 1478 O SER A 98 -0.427 -0.784 9.833 1.00 64.23 O ATOM 1479 CB SER A 98 1.693 -3.314 10.589 1.00 24.43 C ATOM 1480 OG SER A 98 2.041 -4.666 10.303 1.00 74.32 O ATOM 0 H SER A 98 2.898 -3.185 8.464 1.00 34.11 H new ATOM 0 HA SER A 98 0.169 -3.133 9.082 1.00 24.40 H new ATOM 0 HB2 SER A 98 2.579 -2.771 10.918 1.00 24.43 H new ATOM 0 HB3 SER A 98 0.978 -3.287 11.411 1.00 24.43 H new ATOM 0 HG SER A 98 2.781 -4.684 9.660 1.00 74.32 H new ATOM 1486 N ALA A 99 1.774 -0.318 9.716 1.00 62.11 N ATOM 1487 CA ALA A 99 1.604 1.097 9.957 1.00 61.04 C ATOM 1488 C ALA A 99 0.947 1.774 8.757 1.00 52.13 C ATOM 1489 O ALA A 99 0.024 2.569 8.915 1.00 44.24 O ATOM 1490 CB ALA A 99 2.941 1.750 10.279 1.00 51.20 C ATOM 0 H ALA A 99 2.743 -0.607 9.583 1.00 62.11 H new ATOM 0 HA ALA A 99 0.947 1.221 10.818 1.00 61.04 H new ATOM 0 HB1 ALA A 99 2.792 2.815 10.457 1.00 51.20 H new ATOM 0 HB2 ALA A 99 3.366 1.289 11.171 1.00 51.20 H new ATOM 0 HB3 ALA A 99 3.624 1.614 9.440 1.00 51.20 H new ATOM 1496 N LEU A 100 1.422 1.423 7.562 1.00 41.14 N ATOM 1497 CA LEU A 100 0.946 1.996 6.311 1.00 40.24 C ATOM 1498 C LEU A 100 -0.555 1.768 6.150 1.00 24.14 C ATOM 1499 O LEU A 100 -1.313 2.708 5.916 1.00 74.32 O ATOM 1500 CB LEU A 100 1.688 1.332 5.156 1.00 31.03 C ATOM 1501 CG LEU A 100 1.495 1.944 3.772 1.00 53.13 C ATOM 1502 CD1 LEU A 100 2.024 3.367 3.739 1.00 54.11 C ATOM 1503 CD2 LEU A 100 2.184 1.091 2.726 1.00 71.44 C ATOM 0 H LEU A 100 2.156 0.725 7.438 1.00 41.14 H new ATOM 0 HA LEU A 100 1.132 3.070 6.315 1.00 40.24 H new ATOM 0 HB2 LEU A 100 2.753 1.342 5.386 1.00 31.03 H new ATOM 0 HB3 LEU A 100 1.381 0.287 5.111 1.00 31.03 H new ATOM 0 HG LEU A 100 0.429 1.975 3.548 1.00 53.13 H new ATOM 0 HD11 LEU A 100 1.877 3.787 2.744 1.00 54.11 H new ATOM 0 HD12 LEU A 100 1.488 3.972 4.470 1.00 54.11 H new ATOM 0 HD13 LEU A 100 3.087 3.366 3.979 1.00 54.11 H new ATOM 0 HD21 LEU A 100 2.041 1.536 1.741 1.00 71.44 H new ATOM 0 HD22 LEU A 100 3.250 1.035 2.947 1.00 71.44 H new ATOM 0 HD23 LEU A 100 1.758 0.088 2.736 1.00 71.44 H new ATOM 1515 N ILE A 101 -0.964 0.528 6.342 1.00 11.22 N ATOM 1516 CA ILE A 101 -2.361 0.124 6.245 1.00 33.22 C ATOM 1517 C ILE A 101 -3.219 0.878 7.254 1.00 51.35 C ATOM 1518 O ILE A 101 -4.311 1.330 6.911 1.00 23.33 O ATOM 1519 CB ILE A 101 -2.520 -1.428 6.412 1.00 75.31 C ATOM 1520 CG1 ILE A 101 -2.022 -2.170 5.158 1.00 63.51 C ATOM 1521 CG2 ILE A 101 -3.953 -1.845 6.748 1.00 62.14 C ATOM 1522 CD1 ILE A 101 -2.863 -1.930 3.903 1.00 61.21 C ATOM 0 H ILE A 101 -0.331 -0.238 6.572 1.00 11.22 H new ATOM 0 HA ILE A 101 -2.713 0.384 5.247 1.00 33.22 H new ATOM 0 HB ILE A 101 -1.899 -1.712 7.262 1.00 75.31 H new ATOM 0 HG12 ILE A 101 -0.995 -1.866 4.955 1.00 63.51 H new ATOM 0 HG13 ILE A 101 -2.002 -3.239 5.368 1.00 63.51 H new ATOM 0 HG21 ILE A 101 -4.002 -2.929 6.852 1.00 62.14 H new ATOM 0 HG22 ILE A 101 -4.258 -1.377 7.684 1.00 62.14 H new ATOM 0 HG23 ILE A 101 -4.622 -1.527 5.948 1.00 62.14 H new ATOM 0 HD11 ILE A 101 -2.440 -2.490 3.069 1.00 61.21 H new ATOM 0 HD12 ILE A 101 -3.886 -2.261 4.082 1.00 61.21 H new ATOM 0 HD13 ILE A 101 -2.863 -0.867 3.663 1.00 61.21 H new ATOM 1534 N GLY A 102 -2.687 1.070 8.468 1.00 14.40 N ATOM 1535 CA GLY A 102 -3.405 1.805 9.504 1.00 73.41 C ATOM 1536 C GLY A 102 -3.772 3.204 9.059 1.00 41.01 C ATOM 1537 O GLY A 102 -4.882 3.692 9.308 1.00 13.35 O ATOM 0 H GLY A 102 -1.769 0.728 8.751 1.00 14.40 H new ATOM 0 HA2 GLY A 102 -4.311 1.261 9.772 1.00 73.41 H new ATOM 0 HA3 GLY A 102 -2.789 1.860 10.402 1.00 73.41 H new ATOM 1541 N ILE A 103 -2.850 3.820 8.371 1.00 73.12 N ATOM 1542 CA ILE A 103 -3.027 5.145 7.836 1.00 20.01 C ATOM 1543 C ILE A 103 -4.039 5.120 6.697 1.00 12.20 C ATOM 1544 O ILE A 103 -4.969 5.936 6.659 1.00 74.23 O ATOM 1545 CB ILE A 103 -1.674 5.676 7.317 1.00 31.11 C ATOM 1546 CG1 ILE A 103 -0.674 5.724 8.474 1.00 45.21 C ATOM 1547 CG2 ILE A 103 -1.832 7.055 6.662 1.00 23.12 C ATOM 1548 CD1 ILE A 103 0.755 5.893 8.040 1.00 32.33 C ATOM 0 H ILE A 103 -1.940 3.410 8.162 1.00 73.12 H new ATOM 0 HA ILE A 103 -3.398 5.801 8.624 1.00 20.01 H new ATOM 0 HB ILE A 103 -1.298 5.000 6.549 1.00 31.11 H new ATOM 0 HG12 ILE A 103 -0.941 6.546 9.138 1.00 45.21 H new ATOM 0 HG13 ILE A 103 -0.761 4.805 9.054 1.00 45.21 H new ATOM 0 HG21 ILE A 103 -0.862 7.402 6.307 1.00 23.12 H new ATOM 0 HG22 ILE A 103 -2.522 6.982 5.821 1.00 23.12 H new ATOM 0 HG23 ILE A 103 -2.225 7.762 7.393 1.00 23.12 H new ATOM 0 HD11 ILE A 103 1.401 5.918 8.917 1.00 32.33 H new ATOM 0 HD12 ILE A 103 1.042 5.058 7.401 1.00 32.33 H new ATOM 0 HD13 ILE A 103 0.859 6.826 7.486 1.00 32.33 H new ATOM 1560 N ILE A 104 -3.881 4.156 5.801 1.00 43.43 N ATOM 1561 CA ILE A 104 -4.716 4.069 4.617 1.00 20.11 C ATOM 1562 C ILE A 104 -6.178 3.812 4.979 1.00 14.01 C ATOM 1563 O ILE A 104 -7.050 4.589 4.590 1.00 22.30 O ATOM 1564 CB ILE A 104 -4.224 2.921 3.690 1.00 41.42 C ATOM 1565 CG1 ILE A 104 -2.788 3.177 3.237 1.00 44.24 C ATOM 1566 CG2 ILE A 104 -5.139 2.765 2.481 1.00 11.11 C ATOM 1567 CD1 ILE A 104 -2.166 2.017 2.485 1.00 2.44 C ATOM 0 H ILE A 104 -3.178 3.421 5.875 1.00 43.43 H new ATOM 0 HA ILE A 104 -4.642 5.026 4.101 1.00 20.11 H new ATOM 0 HB ILE A 104 -4.251 1.993 4.261 1.00 41.42 H new ATOM 0 HG12 ILE A 104 -2.770 4.062 2.600 1.00 44.24 H new ATOM 0 HG13 ILE A 104 -2.176 3.401 4.111 1.00 44.24 H new ATOM 0 HG21 ILE A 104 -4.772 1.956 1.849 1.00 11.11 H new ATOM 0 HG22 ILE A 104 -6.150 2.534 2.817 1.00 11.11 H new ATOM 0 HG23 ILE A 104 -5.150 3.694 1.911 1.00 11.11 H new ATOM 0 HD11 ILE A 104 -1.147 2.275 2.197 1.00 2.44 H new ATOM 0 HD12 ILE A 104 -2.150 1.135 3.125 1.00 2.44 H new ATOM 0 HD13 ILE A 104 -2.753 1.806 1.591 1.00 2.44 H new ATOM 1579 N GLU A 105 -6.437 2.789 5.787 1.00 75.12 N ATOM 1580 CA GLU A 105 -7.803 2.482 6.156 1.00 51.24 C ATOM 1581 C GLU A 105 -8.407 3.560 7.038 1.00 15.34 C ATOM 1582 O GLU A 105 -9.564 3.939 6.872 1.00 35.41 O ATOM 1583 CB GLU A 105 -7.995 1.054 6.723 1.00 31.33 C ATOM 1584 CG GLU A 105 -7.152 0.691 7.936 1.00 31.15 C ATOM 1585 CD GLU A 105 -7.486 -0.689 8.479 1.00 72.24 C ATOM 1586 OE1 GLU A 105 -7.050 -1.702 7.903 1.00 2.30 O ATOM 1587 OE2 GLU A 105 -8.234 -0.773 9.480 1.00 43.54 O ATOM 0 H GLU A 105 -5.731 2.173 6.189 1.00 75.12 H new ATOM 0 HA GLU A 105 -8.370 2.482 5.225 1.00 51.24 H new ATOM 0 HB2 GLU A 105 -9.045 0.929 6.987 1.00 31.33 H new ATOM 0 HB3 GLU A 105 -7.778 0.339 5.929 1.00 31.33 H new ATOM 0 HG2 GLU A 105 -6.097 0.727 7.666 1.00 31.15 H new ATOM 0 HG3 GLU A 105 -7.306 1.434 8.718 1.00 31.15 H new ATOM 1594 N GLY A 106 -7.599 4.093 7.938 1.00 73.54 N ATOM 1595 CA GLY A 106 -8.071 5.089 8.861 1.00 72.23 C ATOM 1596 C GLY A 106 -8.414 6.410 8.207 1.00 11.11 C ATOM 1597 O GLY A 106 -9.445 7.000 8.537 1.00 43.03 O ATOM 0 H GLY A 106 -6.615 3.847 8.043 1.00 73.54 H new ATOM 0 HA2 GLY A 106 -8.954 4.707 9.374 1.00 72.23 H new ATOM 0 HA3 GLY A 106 -7.309 5.257 9.622 1.00 72.23 H new ATOM 1601 N ASN A 107 -7.596 6.858 7.244 1.00 71.22 N ATOM 1602 CA ASN A 107 -7.838 8.157 6.579 1.00 34.42 C ATOM 1603 C ASN A 107 -9.149 8.100 5.818 1.00 2.02 C ATOM 1604 O ASN A 107 -9.960 9.027 5.877 1.00 21.33 O ATOM 1605 CB ASN A 107 -6.699 8.542 5.595 1.00 13.24 C ATOM 1606 CG ASN A 107 -6.900 9.920 4.990 1.00 70.11 C ATOM 1607 OD1 ASN A 107 -7.490 10.066 3.928 1.00 51.22 O ATOM 1608 ND2 ASN A 107 -6.374 10.935 5.634 1.00 54.33 N ATOM 0 H ASN A 107 -6.774 6.355 6.909 1.00 71.22 H new ATOM 0 HA ASN A 107 -7.875 8.917 7.359 1.00 34.42 H new ATOM 0 HB2 ASN A 107 -5.744 8.514 6.120 1.00 13.24 H new ATOM 0 HB3 ASN A 107 -6.646 7.802 4.797 1.00 13.24 H new ATOM 0 HD21 ASN A 107 -6.451 11.877 5.251 1.00 54.33 H new ATOM 0 HD22 ASN A 107 -5.888 10.782 6.518 1.00 54.33 H new ATOM 1615 N ILE A 108 -9.371 6.971 5.175 1.00 51.11 N ATOM 1616 CA ILE A 108 -10.564 6.731 4.389 1.00 53.40 C ATOM 1617 C ILE A 108 -11.815 6.773 5.263 1.00 60.44 C ATOM 1618 O ILE A 108 -12.846 7.315 4.856 1.00 62.33 O ATOM 1619 CB ILE A 108 -10.454 5.376 3.645 1.00 52.50 C ATOM 1620 CG1 ILE A 108 -9.302 5.443 2.639 1.00 12.14 C ATOM 1621 CG2 ILE A 108 -11.766 4.997 2.955 1.00 44.10 C ATOM 1622 CD1 ILE A 108 -9.001 4.139 1.957 1.00 55.02 C ATOM 0 H ILE A 108 -8.720 6.186 5.184 1.00 51.11 H new ATOM 0 HA ILE A 108 -10.652 7.526 3.648 1.00 53.40 H new ATOM 0 HB ILE A 108 -10.249 4.595 4.377 1.00 52.50 H new ATOM 0 HG12 ILE A 108 -9.540 6.190 1.881 1.00 12.14 H new ATOM 0 HG13 ILE A 108 -8.405 5.786 3.154 1.00 12.14 H new ATOM 0 HG21 ILE A 108 -11.646 4.041 2.445 1.00 44.10 H new ATOM 0 HG22 ILE A 108 -12.558 4.914 3.699 1.00 44.10 H new ATOM 0 HG23 ILE A 108 -12.030 5.765 2.228 1.00 44.10 H new ATOM 0 HD11 ILE A 108 -8.173 4.275 1.262 1.00 55.02 H new ATOM 0 HD12 ILE A 108 -8.730 3.392 2.703 1.00 55.02 H new ATOM 0 HD13 ILE A 108 -9.882 3.802 1.411 1.00 55.02 H new ATOM 1634 N ARG A 109 -11.720 6.214 6.465 1.00 12.40 N ATOM 1635 CA ARG A 109 -12.836 6.223 7.390 1.00 2.14 C ATOM 1636 C ARG A 109 -13.257 7.637 7.731 1.00 73.02 C ATOM 1637 O ARG A 109 -14.419 7.973 7.574 1.00 62.42 O ATOM 1638 CB ARG A 109 -12.511 5.441 8.661 1.00 23.21 C ATOM 1639 CG ARG A 109 -12.155 4.013 8.368 1.00 73.35 C ATOM 1640 CD ARG A 109 -12.039 3.160 9.611 1.00 72.32 C ATOM 1641 NE ARG A 109 -11.905 1.741 9.245 1.00 1.55 N ATOM 1642 CZ ARG A 109 -10.822 0.979 9.457 1.00 61.53 C ATOM 1643 NH1 ARG A 109 -9.753 1.460 10.078 1.00 1.11 N ATOM 1644 NH2 ARG A 109 -10.802 -0.279 9.043 1.00 24.11 N ATOM 0 H ARG A 109 -10.882 5.751 6.816 1.00 12.40 H new ATOM 0 HA ARG A 109 -13.672 5.730 6.893 1.00 2.14 H new ATOM 0 HB2 ARG A 109 -11.682 5.922 9.180 1.00 23.21 H new ATOM 0 HB3 ARG A 109 -13.368 5.470 9.334 1.00 23.21 H new ATOM 0 HG2 ARG A 109 -12.912 3.584 7.711 1.00 73.35 H new ATOM 0 HG3 ARG A 109 -11.209 3.985 7.827 1.00 73.35 H new ATOM 0 HD2 ARG A 109 -11.176 3.475 10.197 1.00 72.32 H new ATOM 0 HD3 ARG A 109 -12.919 3.299 10.239 1.00 72.32 H new ATOM 0 HE ARG A 109 -12.704 1.299 8.791 1.00 1.55 H new ATOM 0 HH11 ARG A 109 -9.745 2.426 10.404 1.00 1.11 H new ATOM 0 HH12 ARG A 109 -8.940 0.863 10.229 1.00 1.11 H new ATOM 0 HH21 ARG A 109 -11.612 -0.670 8.562 1.00 24.11 H new ATOM 0 HH22 ARG A 109 -9.977 -0.856 9.206 1.00 24.11 H new ATOM 1658 N TYR A 110 -12.292 8.470 8.104 1.00 70.52 N ATOM 1659 CA TYR A 110 -12.574 9.855 8.498 1.00 23.00 C ATOM 1660 C TYR A 110 -13.089 10.679 7.330 1.00 12.01 C ATOM 1661 O TYR A 110 -13.940 11.538 7.502 1.00 31.50 O ATOM 1662 CB TYR A 110 -11.354 10.532 9.135 1.00 32.12 C ATOM 1663 CG TYR A 110 -10.870 9.861 10.403 1.00 42.32 C ATOM 1664 CD1 TYR A 110 -11.713 9.710 11.499 1.00 14.32 C ATOM 1665 CD2 TYR A 110 -9.578 9.369 10.500 1.00 2.44 C ATOM 1666 CE1 TYR A 110 -11.277 9.089 12.652 1.00 72.01 C ATOM 1667 CE2 TYR A 110 -9.135 8.746 11.647 1.00 34.15 C ATOM 1668 CZ TYR A 110 -9.988 8.608 12.720 1.00 0.10 C ATOM 1669 OH TYR A 110 -9.547 7.980 13.863 1.00 14.41 O ATOM 0 H TYR A 110 -11.305 8.215 8.143 1.00 70.52 H new ATOM 0 HA TYR A 110 -13.360 9.807 9.252 1.00 23.00 H new ATOM 0 HB2 TYR A 110 -10.540 10.547 8.410 1.00 32.12 H new ATOM 0 HB3 TYR A 110 -11.602 11.570 9.357 1.00 32.12 H new ATOM 0 HD1 TYR A 110 -12.725 10.085 11.447 1.00 14.32 H new ATOM 0 HD2 TYR A 110 -8.906 9.476 9.661 1.00 2.44 H new ATOM 0 HE1 TYR A 110 -11.942 8.981 13.496 1.00 72.01 H new ATOM 0 HE2 TYR A 110 -8.125 8.368 11.704 1.00 34.15 H new ATOM 0 HH TYR A 110 -8.615 7.701 13.744 1.00 14.41 H new ATOM 1679 N ALA A 111 -12.541 10.428 6.149 1.00 54.42 N ATOM 1680 CA ALA A 111 -12.960 11.136 4.946 1.00 54.12 C ATOM 1681 C ALA A 111 -14.424 10.839 4.605 1.00 34.41 C ATOM 1682 O ALA A 111 -15.147 11.709 4.132 1.00 52.30 O ATOM 1683 CB ALA A 111 -12.057 10.769 3.775 1.00 3.31 C ATOM 0 H ALA A 111 -11.804 9.739 5.998 1.00 54.42 H new ATOM 0 HA ALA A 111 -12.873 12.205 5.138 1.00 54.12 H new ATOM 0 HB1 ALA A 111 -12.382 11.305 2.883 1.00 3.31 H new ATOM 0 HB2 ALA A 111 -11.028 11.043 4.009 1.00 3.31 H new ATOM 0 HB3 ALA A 111 -12.114 9.696 3.594 1.00 3.31 H new ATOM 1689 N ASN A 112 -14.839 9.605 4.836 1.00 45.35 N ATOM 1690 CA ASN A 112 -16.215 9.193 4.559 1.00 32.25 C ATOM 1691 C ASN A 112 -17.189 9.649 5.627 1.00 43.30 C ATOM 1692 O ASN A 112 -18.311 10.047 5.319 1.00 22.13 O ATOM 1693 CB ASN A 112 -16.336 7.678 4.318 1.00 53.11 C ATOM 1694 CG ASN A 112 -15.874 7.251 2.931 1.00 60.44 C ATOM 1695 OD1 ASN A 112 -16.662 7.171 1.998 1.00 3.40 O ATOM 1696 ND2 ASN A 112 -14.605 6.979 2.777 1.00 15.45 N ATOM 0 H ASN A 112 -14.246 8.866 5.215 1.00 45.35 H new ATOM 0 HA ASN A 112 -16.490 9.698 3.633 1.00 32.25 H new ATOM 0 HB2 ASN A 112 -15.748 7.149 5.068 1.00 53.11 H new ATOM 0 HB3 ASN A 112 -17.374 7.377 4.457 1.00 53.11 H new ATOM 0 HD21 ASN A 112 -14.252 6.693 1.864 1.00 15.45 H new ATOM 0 HD22 ASN A 112 -13.968 7.053 3.570 1.00 15.45 H new ATOM 1703 N THR A 113 -16.775 9.591 6.874 1.00 35.50 N ATOM 1704 CA THR A 113 -17.635 9.973 7.965 1.00 62.41 C ATOM 1705 C THR A 113 -16.815 10.193 9.234 1.00 51.15 C ATOM 1706 O THR A 113 -15.761 9.579 9.423 1.00 32.45 O ATOM 1707 CB THR A 113 -18.761 8.898 8.209 1.00 31.12 C ATOM 1708 OG1 THR A 113 -19.672 9.315 9.245 1.00 51.23 O ATOM 1709 CG2 THR A 113 -18.174 7.529 8.566 1.00 4.23 C ATOM 0 H THR A 113 -15.845 9.282 7.155 1.00 35.50 H new ATOM 0 HA THR A 113 -18.124 10.910 7.698 1.00 62.41 H new ATOM 0 HB THR A 113 -19.309 8.806 7.271 1.00 31.12 H new ATOM 0 HG1 THR A 113 -20.360 8.628 9.372 1.00 51.23 H new ATOM 0 HG21 THR A 113 -18.983 6.817 8.726 1.00 4.23 H new ATOM 0 HG22 THR A 113 -17.540 7.181 7.750 1.00 4.23 H new ATOM 0 HG23 THR A 113 -17.580 7.614 9.476 1.00 4.23 H new ATOM 1717 N HIS A 114 -17.288 11.070 10.069 1.00 53.35 N ATOM 1718 CA HIS A 114 -16.671 11.357 11.325 1.00 33.35 C ATOM 1719 C HIS A 114 -17.796 11.685 12.304 1.00 52.42 C ATOM 1720 O HIS A 114 -18.054 12.889 12.554 1.00 22.20 O ATOM 1721 CB HIS A 114 -15.675 12.540 11.182 1.00 14.11 C ATOM 1722 CG HIS A 114 -14.926 12.888 12.445 1.00 75.54 C ATOM 1723 ND1 HIS A 114 -15.526 13.438 13.545 1.00 60.44 N ATOM 1724 CD2 HIS A 114 -13.617 12.754 12.761 1.00 4.12 C ATOM 1725 CE1 HIS A 114 -14.601 13.630 14.479 1.00 32.32 C ATOM 1726 NE2 HIS A 114 -13.411 13.231 14.059 1.00 64.43 N ATOM 0 H HIS A 114 -18.131 11.616 9.890 1.00 53.35 H new ATOM 0 HA HIS A 114 -16.093 10.507 11.687 1.00 33.35 H new ATOM 0 HB2 HIS A 114 -14.953 12.297 10.402 1.00 14.11 H new ATOM 0 HB3 HIS A 114 -16.223 13.420 10.846 1.00 14.11 H new ATOM 0 HD1 HIS A 114 -16.517 13.663 13.633 1.00 60.44 H new ATOM 0 HD2 HIS A 114 -12.855 12.345 12.115 1.00 4.12 H new ATOM 0 HE1 HIS A 114 -14.795 14.056 15.453 1.00 32.32 H new TER 1734 HIS A 114