USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.345 (180deg=0.0181!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -133:sc= 0 (180deg=-1.38) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 72:sc= -1.67! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.035) USER MOD Single : A 13 ASN : amide:sc= -0.0561 X(o=-0.056,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -109:sc= -0.293 (180deg=-0.741) USER MOD Single : A 16 ASN : amide:sc= -4.94! C(o=-4.9!,f=-5.8!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -2.29! F(o=-3.8,f=-2.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -136:sc= 1.11 (180deg=0.52) USER MOD Single : A 32 ASN : amide:sc= -0.655 K(o=-0.65,f=-14!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.94 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0682 F(o=-0.65,f=-0.068) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -12:sc= 0.634! USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 MET CE :methyl -179:sc= -2.5 (180deg=-2.61) USER MOD Single : A 70 ASN : amide:sc= -0.0326 X(o=-0.033,f=-0.033) USER MOD Single : A 73 SER OG : rot -47:sc= 0.0354 USER MOD Single : A 77 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.425 -1.303 -1.225 1.00 62.04 N ATOM 2 CA MET A 1 5.314 -0.753 -0.457 1.00 25.32 C ATOM 3 C MET A 1 4.263 -1.823 -0.180 1.00 21.14 C ATOM 4 O MET A 1 4.047 -2.213 0.968 1.00 72.30 O ATOM 5 CB MET A 1 4.680 0.420 -1.205 1.00 52.34 C ATOM 6 CG MET A 1 5.602 1.620 -1.348 1.00 51.21 C ATOM 7 SD MET A 1 4.709 3.187 -1.344 1.00 22.35 S ATOM 8 CE MET A 1 4.446 3.422 0.413 1.00 63.54 C ATOM 0 H1 MET A 1 6.954 -0.528 -1.673 1.00 62.04 H new ATOM 0 H2 MET A 1 7.057 -1.833 -0.591 1.00 62.04 H new ATOM 0 H3 MET A 1 6.057 -1.941 -1.959 1.00 62.04 H new ATOM 0 HA MET A 1 5.705 -0.397 0.496 1.00 25.32 H new ATOM 0 HB2 MET A 1 4.376 0.086 -2.197 1.00 52.34 H new ATOM 0 HB3 MET A 1 3.775 0.728 -0.681 1.00 52.34 H new ATOM 0 HG2 MET A 1 6.325 1.617 -0.533 1.00 51.21 H new ATOM 0 HG3 MET A 1 6.167 1.531 -2.276 1.00 51.21 H new ATOM 0 HE1 MET A 1 3.904 4.353 0.578 1.00 63.54 H new ATOM 0 HE2 MET A 1 3.866 2.589 0.809 1.00 63.54 H new ATOM 0 HE3 MET A 1 5.409 3.468 0.922 1.00 63.54 H new ATOM 18 N LYS A 2 3.611 -2.294 -1.237 1.00 44.04 N ATOM 19 CA LYS A 2 2.583 -3.320 -1.109 1.00 11.50 C ATOM 20 C LYS A 2 3.194 -4.654 -0.693 1.00 50.22 C ATOM 21 O LYS A 2 4.326 -4.971 -1.060 1.00 55.03 O ATOM 22 CB LYS A 2 1.828 -3.482 -2.430 1.00 53.11 C ATOM 23 CG LYS A 2 2.697 -3.984 -3.570 1.00 21.22 C ATOM 24 CD LYS A 2 1.894 -4.806 -4.564 1.00 14.12 C ATOM 25 CE LYS A 2 2.255 -4.454 -5.999 1.00 30.12 C ATOM 26 NZ LYS A 2 1.054 -4.405 -6.877 1.00 75.12 N ATOM 0 H LYS A 2 3.777 -1.981 -2.194 1.00 44.04 H new ATOM 0 HA LYS A 2 1.884 -3.004 -0.335 1.00 11.50 H new ATOM 0 HB2 LYS A 2 1.000 -4.176 -2.283 1.00 53.11 H new ATOM 0 HB3 LYS A 2 1.394 -2.522 -2.711 1.00 53.11 H new ATOM 0 HG2 LYS A 2 3.153 -3.136 -4.082 1.00 21.22 H new ATOM 0 HG3 LYS A 2 3.510 -4.589 -3.169 1.00 21.22 H new ATOM 0 HD2 LYS A 2 2.076 -5.867 -4.392 1.00 14.12 H new ATOM 0 HD3 LYS A 2 0.830 -4.635 -4.403 1.00 14.12 H new ATOM 0 HE2 LYS A 2 2.760 -3.488 -6.020 1.00 30.12 H new ATOM 0 HE3 LYS A 2 2.959 -5.190 -6.387 1.00 30.12 H new ATOM 0 HZ1 LYS A 2 1.342 -4.162 -7.846 1.00 75.12 H new ATOM 0 HZ2 LYS A 2 0.586 -5.334 -6.877 1.00 75.12 H new ATOM 0 HZ3 LYS A 2 0.393 -3.685 -6.522 1.00 75.12 H new ATOM 40 N PHE A 3 2.438 -5.432 0.074 1.00 73.55 N ATOM 41 CA PHE A 3 2.905 -6.733 0.539 1.00 61.14 C ATOM 42 C PHE A 3 2.625 -7.815 -0.500 1.00 70.13 C ATOM 43 O PHE A 3 1.473 -8.185 -0.732 1.00 4.23 O ATOM 44 CB PHE A 3 2.232 -7.096 1.864 1.00 63.50 C ATOM 45 CG PHE A 3 2.689 -6.252 3.019 1.00 33.02 C ATOM 46 CD1 PHE A 3 2.080 -5.037 3.290 1.00 74.41 C ATOM 47 CD2 PHE A 3 3.727 -6.673 3.834 1.00 3.22 C ATOM 48 CE1 PHE A 3 2.497 -4.258 4.352 1.00 31.05 C ATOM 49 CE2 PHE A 3 4.149 -5.898 4.898 1.00 14.03 C ATOM 50 CZ PHE A 3 3.534 -4.689 5.157 1.00 14.40 C ATOM 0 H PHE A 3 1.499 -5.184 0.387 1.00 73.55 H new ATOM 0 HA PHE A 3 3.982 -6.671 0.692 1.00 61.14 H new ATOM 0 HB2 PHE A 3 1.152 -6.993 1.754 1.00 63.50 H new ATOM 0 HB3 PHE A 3 2.431 -8.144 2.089 1.00 63.50 H new ATOM 0 HD1 PHE A 3 1.270 -4.695 2.663 1.00 74.41 H new ATOM 0 HD2 PHE A 3 4.212 -7.617 3.636 1.00 3.22 H new ATOM 0 HE1 PHE A 3 2.013 -3.314 4.553 1.00 31.05 H new ATOM 0 HE2 PHE A 3 4.959 -6.238 5.526 1.00 14.03 H new ATOM 0 HZ PHE A 3 3.863 -4.082 5.987 1.00 14.40 H new ATOM 60 N ILE A 4 3.686 -8.318 -1.123 1.00 53.51 N ATOM 61 CA ILE A 4 3.555 -9.357 -2.137 1.00 15.24 C ATOM 62 C ILE A 4 3.465 -10.739 -1.498 1.00 53.14 C ATOM 63 O ILE A 4 3.908 -10.943 -0.368 1.00 71.20 O ATOM 64 CB ILE A 4 4.738 -9.335 -3.122 1.00 51.30 C ATOM 65 CG1 ILE A 4 4.926 -7.929 -3.695 1.00 43.42 C ATOM 66 CG2 ILE A 4 4.515 -10.343 -4.240 1.00 4.34 C ATOM 67 CD1 ILE A 4 3.959 -7.596 -4.809 1.00 52.52 C ATOM 0 H ILE A 4 4.646 -8.023 -0.943 1.00 53.51 H new ATOM 0 HA ILE A 4 2.635 -9.151 -2.684 1.00 15.24 H new ATOM 0 HB ILE A 4 5.645 -9.612 -2.585 1.00 51.30 H new ATOM 0 HG12 ILE A 4 4.809 -7.200 -2.893 1.00 43.42 H new ATOM 0 HG13 ILE A 4 5.945 -7.831 -4.068 1.00 43.42 H new ATOM 0 HG21 ILE A 4 5.360 -10.316 -4.928 1.00 4.34 H new ATOM 0 HG22 ILE A 4 4.425 -11.343 -3.816 1.00 4.34 H new ATOM 0 HG23 ILE A 4 3.600 -10.093 -4.778 1.00 4.34 H new ATOM 0 HD11 ILE A 4 4.151 -6.584 -5.167 1.00 52.52 H new ATOM 0 HD12 ILE A 4 4.091 -8.302 -5.629 1.00 52.52 H new ATOM 0 HD13 ILE A 4 2.937 -7.661 -4.435 1.00 52.52 H new ATOM 79 N LYS A 5 2.890 -11.686 -2.231 1.00 34.50 N ATOM 80 CA LYS A 5 2.744 -13.051 -1.739 1.00 73.44 C ATOM 81 C LYS A 5 4.094 -13.758 -1.687 1.00 24.21 C ATOM 82 O LYS A 5 5.109 -13.211 -2.119 1.00 3.13 O ATOM 83 CB LYS A 5 1.780 -13.836 -2.632 1.00 33.52 C ATOM 84 CG LYS A 5 2.440 -14.435 -3.862 1.00 22.13 C ATOM 85 CD LYS A 5 3.063 -13.362 -4.738 1.00 42.33 C ATOM 86 CE LYS A 5 3.275 -13.857 -6.161 1.00 20.24 C ATOM 87 NZ LYS A 5 4.474 -13.238 -6.791 1.00 54.10 N ATOM 0 H LYS A 5 2.517 -11.533 -3.168 1.00 34.50 H new ATOM 0 HA LYS A 5 2.339 -13.005 -0.728 1.00 73.44 H new ATOM 0 HB2 LYS A 5 1.327 -14.636 -2.047 1.00 33.52 H new ATOM 0 HB3 LYS A 5 0.972 -13.176 -2.949 1.00 33.52 H new ATOM 0 HG2 LYS A 5 3.207 -15.146 -3.555 1.00 22.13 H new ATOM 0 HG3 LYS A 5 1.701 -14.992 -4.438 1.00 22.13 H new ATOM 0 HD2 LYS A 5 2.420 -12.482 -4.750 1.00 42.33 H new ATOM 0 HD3 LYS A 5 4.018 -13.053 -4.313 1.00 42.33 H new ATOM 0 HE2 LYS A 5 3.387 -14.941 -6.155 1.00 20.24 H new ATOM 0 HE3 LYS A 5 2.393 -13.631 -6.759 1.00 20.24 H new ATOM 0 HZ1 LYS A 5 4.231 -12.903 -7.745 1.00 54.10 H new ATOM 0 HZ2 LYS A 5 4.794 -12.435 -6.213 1.00 54.10 H new ATOM 0 HZ3 LYS A 5 5.236 -13.943 -6.855 1.00 54.10 H new ATOM 101 N TYR A 6 4.099 -14.976 -1.157 1.00 63.21 N ATOM 102 CA TYR A 6 5.326 -15.757 -1.048 1.00 33.23 C ATOM 103 C TYR A 6 5.756 -16.290 -2.411 1.00 74.10 C ATOM 104 O TYR A 6 4.920 -16.617 -3.255 1.00 40.10 O ATOM 105 CB TYR A 6 5.130 -16.919 -0.072 1.00 41.11 C ATOM 106 CG TYR A 6 4.484 -16.512 1.233 1.00 43.50 C ATOM 107 CD1 TYR A 6 4.701 -15.251 1.775 1.00 44.34 C ATOM 108 CD2 TYR A 6 3.656 -17.388 1.924 1.00 40.51 C ATOM 109 CE1 TYR A 6 4.114 -14.875 2.967 1.00 1.30 C ATOM 110 CE2 TYR A 6 3.063 -17.020 3.116 1.00 2.43 C ATOM 111 CZ TYR A 6 3.296 -15.762 3.634 1.00 73.40 C ATOM 112 OH TYR A 6 2.708 -15.391 4.821 1.00 34.23 O ATOM 0 H TYR A 6 3.268 -15.444 -0.796 1.00 63.21 H new ATOM 0 HA TYR A 6 6.111 -15.102 -0.671 1.00 33.23 H new ATOM 0 HB2 TYR A 6 4.516 -17.683 -0.549 1.00 41.11 H new ATOM 0 HB3 TYR A 6 6.098 -17.373 0.138 1.00 41.11 H new ATOM 0 HD1 TYR A 6 5.340 -14.553 1.255 1.00 44.34 H new ATOM 0 HD2 TYR A 6 3.473 -18.374 1.522 1.00 40.51 H new ATOM 0 HE1 TYR A 6 4.295 -13.891 3.375 1.00 1.30 H new ATOM 0 HE2 TYR A 6 2.421 -17.713 3.640 1.00 2.43 H new ATOM 0 HH TYR A 6 2.162 -16.130 5.161 1.00 34.23 H new ATOM 122 N LEU A 7 7.065 -16.376 -2.619 1.00 52.22 N ATOM 123 CA LEU A 7 7.608 -16.870 -3.880 1.00 4.24 C ATOM 124 C LEU A 7 8.210 -18.261 -3.705 1.00 54.23 C ATOM 125 O LEU A 7 9.361 -18.501 -4.070 1.00 15.31 O ATOM 126 CB LEU A 7 8.670 -15.906 -4.412 1.00 61.15 C ATOM 127 CG LEU A 7 8.403 -14.418 -4.181 1.00 21.55 C ATOM 128 CD1 LEU A 7 9.567 -13.582 -4.688 1.00 41.24 C ATOM 129 CD2 LEU A 7 7.106 -13.998 -4.857 1.00 4.44 C ATOM 0 H LEU A 7 7.770 -16.110 -1.931 1.00 52.22 H new ATOM 0 HA LEU A 7 6.791 -16.935 -4.599 1.00 4.24 H new ATOM 0 HB2 LEU A 7 9.625 -16.159 -3.951 1.00 61.15 H new ATOM 0 HB3 LEU A 7 8.779 -16.073 -5.484 1.00 61.15 H new ATOM 0 HG LEU A 7 8.301 -14.248 -3.109 1.00 21.55 H new ATOM 0 HD11 LEU A 7 9.359 -12.526 -4.515 1.00 41.24 H new ATOM 0 HD12 LEU A 7 10.476 -13.864 -4.157 1.00 41.24 H new ATOM 0 HD13 LEU A 7 9.702 -13.755 -5.756 1.00 41.24 H new ATOM 0 HD21 LEU A 7 6.932 -12.936 -4.682 1.00 4.44 H new ATOM 0 HD22 LEU A 7 7.178 -14.182 -5.929 1.00 4.44 H new ATOM 0 HD23 LEU A 7 6.278 -14.574 -4.445 1.00 4.44 H new ATOM 141 N SER A 8 7.422 -19.175 -3.147 1.00 51.34 N ATOM 142 CA SER A 8 7.877 -20.542 -2.923 1.00 52.14 C ATOM 143 C SER A 8 6.805 -21.361 -2.212 1.00 34.42 C ATOM 144 O SER A 8 5.660 -20.926 -2.077 1.00 25.15 O ATOM 145 CB SER A 8 9.167 -20.544 -2.101 1.00 35.35 C ATOM 146 OG SER A 8 10.157 -21.357 -2.707 1.00 12.41 O ATOM 0 H SER A 8 6.466 -18.993 -2.842 1.00 51.34 H new ATOM 0 HA SER A 8 8.073 -20.998 -3.894 1.00 52.14 H new ATOM 0 HB2 SER A 8 9.540 -19.525 -2.002 1.00 35.35 H new ATOM 0 HB3 SER A 8 8.960 -20.907 -1.094 1.00 35.35 H new ATOM 0 HG SER A 8 10.492 -20.917 -3.516 1.00 12.41 H new ATOM 152 N THR A 9 7.183 -22.552 -1.758 1.00 31.42 N ATOM 153 CA THR A 9 6.255 -23.435 -1.061 1.00 44.31 C ATOM 154 C THR A 9 6.747 -23.748 0.347 1.00 4.13 C ATOM 155 O THR A 9 7.808 -24.346 0.526 1.00 51.02 O ATOM 156 CB THR A 9 6.053 -24.755 -1.828 1.00 23.44 C ATOM 157 OG1 THR A 9 6.333 -24.562 -3.219 1.00 35.23 O ATOM 158 CG2 THR A 9 4.631 -25.268 -1.657 1.00 42.11 C ATOM 0 H THR A 9 8.126 -22.928 -1.860 1.00 31.42 H new ATOM 0 HA THR A 9 5.302 -22.909 -1.001 1.00 44.31 H new ATOM 0 HB THR A 9 6.741 -25.496 -1.420 1.00 23.44 H new ATOM 0 HG1 THR A 9 6.204 -25.407 -3.699 1.00 35.23 H new ATOM 0 HG21 THR A 9 4.512 -26.201 -2.208 1.00 42.11 H new ATOM 0 HG22 THR A 9 4.432 -25.443 -0.600 1.00 42.11 H new ATOM 0 HG23 THR A 9 3.929 -24.528 -2.041 1.00 42.11 H new ATOM 166 N ALA A 10 5.970 -23.341 1.345 1.00 54.50 N ATOM 167 CA ALA A 10 6.325 -23.581 2.738 1.00 45.51 C ATOM 168 C ALA A 10 6.079 -25.035 3.125 1.00 52.31 C ATOM 169 O ALA A 10 5.055 -25.363 3.725 1.00 11.24 O ATOM 170 CB ALA A 10 5.542 -22.649 3.651 1.00 73.21 C ATOM 0 H ALA A 10 5.090 -22.843 1.214 1.00 54.50 H new ATOM 0 HA ALA A 10 7.389 -23.377 2.856 1.00 45.51 H new ATOM 0 HB1 ALA A 10 5.817 -22.840 4.688 1.00 73.21 H new ATOM 0 HB2 ALA A 10 5.773 -21.614 3.399 1.00 73.21 H new ATOM 0 HB3 ALA A 10 4.474 -22.825 3.521 1.00 73.21 H new ATOM 176 N HIS A 11 7.023 -25.903 2.777 1.00 72.35 N ATOM 177 CA HIS A 11 6.907 -27.324 3.088 1.00 43.33 C ATOM 178 C HIS A 11 8.021 -27.765 4.033 1.00 34.00 C ATOM 179 O HIS A 11 7.875 -28.744 4.767 1.00 52.25 O ATOM 180 CB HIS A 11 6.953 -28.154 1.805 1.00 50.25 C ATOM 181 CG HIS A 11 5.601 -28.438 1.226 1.00 12.34 C ATOM 182 ND1 HIS A 11 5.396 -29.326 0.192 1.00 41.35 N ATOM 183 CD2 HIS A 11 4.381 -27.946 1.546 1.00 74.45 C ATOM 184 CE1 HIS A 11 4.109 -29.367 -0.102 1.00 53.01 C ATOM 185 NE2 HIS A 11 3.470 -28.539 0.705 1.00 24.45 N ATOM 0 H HIS A 11 7.876 -25.648 2.280 1.00 72.35 H new ATOM 0 HA HIS A 11 5.949 -27.486 3.582 1.00 43.33 H new ATOM 0 HB2 HIS A 11 7.554 -27.628 1.063 1.00 50.25 H new ATOM 0 HB3 HIS A 11 7.457 -29.099 2.011 1.00 50.25 H new ATOM 0 HD2 HIS A 11 4.164 -27.223 2.318 1.00 74.45 H new ATOM 0 HE1 HIS A 11 3.656 -29.974 -0.872 1.00 53.01 H new ATOM 0 HE2 HIS A 11 2.464 -28.368 0.704 1.00 24.45 H new ATOM 193 N LEU A 12 9.132 -27.038 4.010 1.00 22.12 N ATOM 194 CA LEU A 12 10.271 -27.355 4.865 1.00 42.11 C ATOM 195 C LEU A 12 10.677 -26.146 5.702 1.00 50.13 C ATOM 196 O LEU A 12 11.085 -25.116 5.166 1.00 72.43 O ATOM 197 CB LEU A 12 11.455 -27.823 4.017 1.00 23.32 C ATOM 198 CG LEU A 12 12.578 -28.539 4.769 1.00 35.54 C ATOM 199 CD1 LEU A 12 12.132 -29.929 5.197 1.00 74.23 C ATOM 200 CD2 LEU A 12 13.830 -28.620 3.908 1.00 34.34 C ATOM 0 H LEU A 12 9.269 -26.225 3.409 1.00 22.12 H new ATOM 0 HA LEU A 12 9.975 -28.158 5.540 1.00 42.11 H new ATOM 0 HB2 LEU A 12 11.080 -28.492 3.243 1.00 23.32 H new ATOM 0 HB3 LEU A 12 11.879 -26.956 3.511 1.00 23.32 H new ATOM 0 HG LEU A 12 12.814 -27.964 5.664 1.00 35.54 H new ATOM 0 HD11 LEU A 12 12.944 -30.423 5.731 1.00 74.23 H new ATOM 0 HD12 LEU A 12 11.264 -29.847 5.852 1.00 74.23 H new ATOM 0 HD13 LEU A 12 11.868 -30.514 4.316 1.00 74.23 H new ATOM 0 HD21 LEU A 12 14.618 -29.133 4.459 1.00 34.34 H new ATOM 0 HD22 LEU A 12 13.608 -29.172 2.995 1.00 34.34 H new ATOM 0 HD23 LEU A 12 14.162 -27.614 3.652 1.00 34.34 H new ATOM 212 N ASN A 13 10.564 -26.280 7.019 1.00 11.32 N ATOM 213 CA ASN A 13 10.921 -25.199 7.931 1.00 53.43 C ATOM 214 C ASN A 13 10.156 -23.924 7.588 1.00 14.24 C ATOM 215 O ASN A 13 10.609 -22.817 7.882 1.00 31.44 O ATOM 216 CB ASN A 13 12.427 -24.933 7.876 1.00 75.32 C ATOM 217 CG ASN A 13 13.217 -25.910 8.725 1.00 60.13 C ATOM 218 OD1 ASN A 13 14.042 -26.667 8.214 1.00 64.23 O ATOM 219 ND2 ASN A 13 12.967 -25.897 10.029 1.00 71.31 N ATOM 0 H ASN A 13 10.228 -27.126 7.479 1.00 11.32 H new ATOM 0 HA ASN A 13 10.650 -25.505 8.941 1.00 53.43 H new ATOM 0 HB2 ASN A 13 12.767 -24.996 6.842 1.00 75.32 H new ATOM 0 HB3 ASN A 13 12.627 -23.917 8.216 1.00 75.32 H new ATOM 0 HD21 ASN A 13 13.468 -26.532 10.651 1.00 71.31 H new ATOM 0 HD22 ASN A 13 12.274 -25.252 10.409 1.00 71.31 H new ATOM 226 N TYR A 14 8.993 -24.087 6.966 1.00 24.03 N ATOM 227 CA TYR A 14 8.166 -22.950 6.582 1.00 13.22 C ATOM 228 C TYR A 14 8.901 -22.050 5.594 1.00 2.31 C ATOM 229 O TYR A 14 8.867 -20.825 5.709 1.00 0.10 O ATOM 230 CB TYR A 14 7.762 -22.145 7.819 1.00 71.30 C ATOM 231 CG TYR A 14 7.191 -22.993 8.933 1.00 75.22 C ATOM 232 CD1 TYR A 14 6.180 -23.913 8.684 1.00 71.51 C ATOM 233 CD2 TYR A 14 7.662 -22.875 10.234 1.00 3.45 C ATOM 234 CE1 TYR A 14 5.655 -24.689 9.699 1.00 75.53 C ATOM 235 CE2 TYR A 14 7.144 -23.648 11.255 1.00 11.44 C ATOM 236 CZ TYR A 14 6.140 -24.553 10.983 1.00 71.24 C ATOM 237 OH TYR A 14 5.620 -25.325 11.996 1.00 22.41 O ATOM 0 H TYR A 14 8.602 -24.996 6.717 1.00 24.03 H new ATOM 0 HA TYR A 14 7.268 -23.334 6.097 1.00 13.22 H new ATOM 0 HB2 TYR A 14 8.633 -21.608 8.193 1.00 71.30 H new ATOM 0 HB3 TYR A 14 7.025 -21.396 7.530 1.00 71.30 H new ATOM 0 HD1 TYR A 14 5.798 -24.023 7.680 1.00 71.51 H new ATOM 0 HD2 TYR A 14 8.447 -22.166 10.451 1.00 3.45 H new ATOM 0 HE1 TYR A 14 4.869 -25.399 9.488 1.00 75.53 H new ATOM 0 HE2 TYR A 14 7.523 -23.544 12.261 1.00 11.44 H new ATOM 0 HH TYR A 14 6.072 -25.107 12.838 1.00 22.41 H new ATOM 247 N MET A 15 9.566 -22.667 4.623 1.00 75.23 N ATOM 248 CA MET A 15 10.308 -21.923 3.612 1.00 3.34 C ATOM 249 C MET A 15 9.377 -21.023 2.806 1.00 1.01 C ATOM 250 O MET A 15 8.485 -21.504 2.109 1.00 14.41 O ATOM 251 CB MET A 15 11.043 -22.885 2.677 1.00 43.30 C ATOM 252 CG MET A 15 12.368 -23.380 3.233 1.00 5.43 C ATOM 253 SD MET A 15 13.761 -22.352 2.728 1.00 62.13 S ATOM 254 CE MET A 15 15.135 -23.298 3.381 1.00 14.14 C ATOM 0 H MET A 15 9.606 -23.680 4.515 1.00 75.23 H new ATOM 0 HA MET A 15 11.038 -21.295 4.122 1.00 3.34 H new ATOM 0 HB2 MET A 15 10.401 -23.742 2.473 1.00 43.30 H new ATOM 0 HB3 MET A 15 11.222 -22.387 1.724 1.00 43.30 H new ATOM 0 HG2 MET A 15 12.315 -23.404 4.321 1.00 5.43 H new ATOM 0 HG3 MET A 15 12.538 -24.404 2.900 1.00 5.43 H new ATOM 0 HE1 MET A 15 15.568 -22.771 4.231 1.00 14.14 H new ATOM 0 HE2 MET A 15 14.782 -24.278 3.703 1.00 14.14 H new ATOM 0 HE3 MET A 15 15.892 -23.422 2.607 1.00 14.14 H new ATOM 264 N ASN A 16 9.592 -19.715 2.907 1.00 74.14 N ATOM 265 CA ASN A 16 8.770 -18.748 2.187 1.00 63.41 C ATOM 266 C ASN A 16 9.547 -17.462 1.926 1.00 4.32 C ATOM 267 O ASN A 16 10.350 -17.031 2.755 1.00 40.22 O ATOM 268 CB ASN A 16 7.499 -18.438 2.979 1.00 11.14 C ATOM 269 CG ASN A 16 7.399 -16.974 3.362 1.00 51.24 C ATOM 270 OD1 ASN A 16 7.320 -16.099 2.498 1.00 21.55 O ATOM 271 ND2 ASN A 16 7.402 -16.700 4.661 1.00 21.10 N ATOM 0 H ASN A 16 10.327 -19.301 3.480 1.00 74.14 H new ATOM 0 HA ASN A 16 8.494 -19.186 1.228 1.00 63.41 H new ATOM 0 HB2 ASN A 16 6.628 -18.716 2.386 1.00 11.14 H new ATOM 0 HB3 ASN A 16 7.478 -19.049 3.881 1.00 11.14 H new ATOM 0 HD21 ASN A 16 7.337 -15.733 4.978 1.00 21.10 H new ATOM 0 HD22 ASN A 16 7.469 -17.457 5.342 1.00 21.10 H new ATOM 278 N ILE A 17 9.303 -16.853 0.771 1.00 72.13 N ATOM 279 CA ILE A 17 9.978 -15.615 0.402 1.00 61.11 C ATOM 280 C ILE A 17 8.986 -14.464 0.275 1.00 74.41 C ATOM 281 O ILE A 17 8.268 -14.357 -0.719 1.00 44.23 O ATOM 282 CB ILE A 17 10.745 -15.766 -0.925 1.00 52.23 C ATOM 283 CG1 ILE A 17 11.918 -16.734 -0.755 1.00 14.41 C ATOM 284 CG2 ILE A 17 11.236 -14.410 -1.410 1.00 51.01 C ATOM 285 CD1 ILE A 17 12.339 -17.405 -2.043 1.00 72.31 C ATOM 0 H ILE A 17 8.642 -17.197 0.074 1.00 72.13 H new ATOM 0 HA ILE A 17 10.688 -15.393 1.199 1.00 61.11 H new ATOM 0 HB ILE A 17 10.067 -16.175 -1.675 1.00 52.23 H new ATOM 0 HG12 ILE A 17 12.769 -16.192 -0.342 1.00 14.41 H new ATOM 0 HG13 ILE A 17 11.645 -17.499 -0.029 1.00 14.41 H new ATOM 0 HG21 ILE A 17 11.776 -14.533 -2.349 1.00 51.01 H new ATOM 0 HG22 ILE A 17 10.384 -13.749 -1.566 1.00 51.01 H new ATOM 0 HG23 ILE A 17 11.901 -13.975 -0.663 1.00 51.01 H new ATOM 0 HD11 ILE A 17 13.175 -18.077 -1.847 1.00 72.31 H new ATOM 0 HD12 ILE A 17 11.502 -17.975 -2.447 1.00 72.31 H new ATOM 0 HD13 ILE A 17 12.644 -16.648 -2.765 1.00 72.31 H new ATOM 297 N ALA A 18 8.951 -13.605 1.288 1.00 25.11 N ATOM 298 CA ALA A 18 8.050 -12.460 1.288 1.00 1.43 C ATOM 299 C ALA A 18 8.672 -11.272 0.562 1.00 53.31 C ATOM 300 O ALA A 18 9.776 -10.838 0.891 1.00 32.15 O ATOM 301 CB ALA A 18 7.684 -12.076 2.715 1.00 63.14 C ATOM 0 H ALA A 18 9.537 -13.681 2.120 1.00 25.11 H new ATOM 0 HA ALA A 18 7.142 -12.743 0.755 1.00 1.43 H new ATOM 0 HB1 ALA A 18 7.010 -11.219 2.700 1.00 63.14 H new ATOM 0 HB2 ALA A 18 7.191 -12.917 3.203 1.00 63.14 H new ATOM 0 HB3 ALA A 18 8.588 -11.817 3.265 1.00 63.14 H new ATOM 307 N VAL A 19 7.956 -10.749 -0.429 1.00 61.52 N ATOM 308 CA VAL A 19 8.438 -9.611 -1.202 1.00 73.04 C ATOM 309 C VAL A 19 7.457 -8.446 -1.134 1.00 11.22 C ATOM 310 O VAL A 19 6.316 -8.606 -0.699 1.00 2.42 O ATOM 311 CB VAL A 19 8.665 -9.990 -2.678 1.00 32.32 C ATOM 312 CG1 VAL A 19 10.148 -10.174 -2.960 1.00 2.12 C ATOM 313 CG2 VAL A 19 7.887 -11.249 -3.030 1.00 20.44 C ATOM 0 H VAL A 19 7.040 -11.096 -0.715 1.00 61.52 H new ATOM 0 HA VAL A 19 9.388 -9.309 -0.762 1.00 73.04 H new ATOM 0 HB VAL A 19 8.299 -9.177 -3.304 1.00 32.32 H new ATOM 0 HG11 VAL A 19 10.289 -10.441 -4.007 1.00 2.12 H new ATOM 0 HG12 VAL A 19 10.677 -9.245 -2.749 1.00 2.12 H new ATOM 0 HG13 VAL A 19 10.543 -10.968 -2.327 1.00 2.12 H new ATOM 0 HG21 VAL A 19 8.059 -11.502 -4.076 1.00 20.44 H new ATOM 0 HG22 VAL A 19 8.221 -12.072 -2.398 1.00 20.44 H new ATOM 0 HG23 VAL A 19 6.823 -11.076 -2.869 1.00 20.44 H new ATOM 323 N TYR A 20 7.908 -7.274 -1.566 1.00 43.14 N ATOM 324 CA TYR A 20 7.071 -6.080 -1.553 1.00 22.14 C ATOM 325 C TYR A 20 7.402 -5.169 -2.731 1.00 31.12 C ATOM 326 O TYR A 20 8.567 -4.873 -2.992 1.00 63.41 O ATOM 327 CB TYR A 20 7.253 -5.319 -0.238 1.00 65.13 C ATOM 328 CG TYR A 20 7.677 -6.198 0.917 1.00 64.04 C ATOM 329 CD1 TYR A 20 9.018 -6.492 1.136 1.00 73.02 C ATOM 330 CD2 TYR A 20 6.738 -6.735 1.788 1.00 61.31 C ATOM 331 CE1 TYR A 20 9.410 -7.295 2.189 1.00 31.22 C ATOM 332 CE2 TYR A 20 7.121 -7.538 2.845 1.00 62.22 C ATOM 333 CZ TYR A 20 8.458 -7.815 3.041 1.00 30.41 C ATOM 334 OH TYR A 20 8.844 -8.616 4.092 1.00 55.11 O ATOM 0 H TYR A 20 8.849 -7.125 -1.930 1.00 43.14 H new ATOM 0 HA TYR A 20 6.031 -6.395 -1.642 1.00 22.14 H new ATOM 0 HB2 TYR A 20 7.998 -4.537 -0.381 1.00 65.13 H new ATOM 0 HB3 TYR A 20 6.316 -4.824 0.018 1.00 65.13 H new ATOM 0 HD1 TYR A 20 9.766 -6.086 0.471 1.00 73.02 H new ATOM 0 HD2 TYR A 20 5.690 -6.521 1.636 1.00 61.31 H new ATOM 0 HE1 TYR A 20 10.456 -7.515 2.344 1.00 31.22 H new ATOM 0 HE2 TYR A 20 6.378 -7.946 3.514 1.00 62.22 H new ATOM 0 HH TYR A 20 8.052 -8.899 4.596 1.00 55.11 H new ATOM 344 N GLU A 21 6.366 -4.728 -3.438 1.00 3.40 N ATOM 345 CA GLU A 21 6.546 -3.850 -4.589 1.00 23.43 C ATOM 346 C GLU A 21 6.096 -2.429 -4.265 1.00 13.21 C ATOM 347 O GLU A 21 5.153 -2.224 -3.502 1.00 32.13 O ATOM 348 CB GLU A 21 5.765 -4.383 -5.792 1.00 20.35 C ATOM 349 CG GLU A 21 5.666 -3.393 -6.940 1.00 35.31 C ATOM 350 CD GLU A 21 5.075 -4.011 -8.193 1.00 4.41 C ATOM 351 OE1 GLU A 21 5.332 -5.206 -8.443 1.00 64.55 O ATOM 352 OE2 GLU A 21 4.356 -3.297 -8.923 1.00 11.22 O ATOM 0 H GLU A 21 5.395 -4.964 -3.234 1.00 3.40 H new ATOM 0 HA GLU A 21 7.608 -3.829 -4.835 1.00 23.43 H new ATOM 0 HB2 GLU A 21 6.243 -5.295 -6.150 1.00 20.35 H new ATOM 0 HB3 GLU A 21 4.760 -4.655 -5.470 1.00 20.35 H new ATOM 0 HG2 GLU A 21 5.052 -2.546 -6.633 1.00 35.31 H new ATOM 0 HG3 GLU A 21 6.659 -3.003 -7.165 1.00 35.31 H new ATOM 359 N ASN A 22 6.778 -1.450 -4.851 1.00 73.21 N ATOM 360 CA ASN A 22 6.449 -0.047 -4.625 1.00 20.54 C ATOM 361 C ASN A 22 5.364 0.420 -5.590 1.00 64.14 C ATOM 362 O ASN A 22 5.245 -0.094 -6.702 1.00 10.40 O ATOM 363 CB ASN A 22 7.698 0.822 -4.783 1.00 13.52 C ATOM 364 CG ASN A 22 7.389 2.303 -4.672 1.00 13.01 C ATOM 365 OD1 ASN A 22 7.044 2.921 -5.796 1.00 31.34 O flip ATOM 366 ND2 ASN A 22 7.459 2.884 -3.589 1.00 1.14 N flip ATOM 0 H ASN A 22 7.562 -1.602 -5.486 1.00 73.21 H new ATOM 0 HA ASN A 22 6.071 0.053 -3.607 1.00 20.54 H new ATOM 0 HB2 ASN A 22 8.427 0.548 -4.021 1.00 13.52 H new ATOM 0 HB3 ASN A 22 8.157 0.621 -5.751 1.00 13.52 H new ATOM 0 HD21 ASN A 22 7.728 2.369 -2.751 1.00 1.14 H new ATOM 0 HD22 ASN A 22 7.248 3.880 -3.530 1.00 1.14 H new ATOM 373 N GLY A 23 4.575 1.399 -5.157 1.00 65.33 N ATOM 374 CA GLY A 23 3.511 1.920 -5.995 1.00 63.44 C ATOM 375 C GLY A 23 4.025 2.464 -7.313 1.00 42.14 C ATOM 376 O GLY A 23 3.842 1.846 -8.362 1.00 23.21 O ATOM 0 H GLY A 23 4.654 1.840 -4.241 1.00 65.33 H new ATOM 0 HA2 GLY A 23 2.786 1.130 -6.190 1.00 63.44 H new ATOM 0 HA3 GLY A 23 2.985 2.710 -5.460 1.00 63.44 H new ATOM 380 N SER A 24 4.669 3.626 -7.261 1.00 72.03 N ATOM 381 CA SER A 24 5.206 4.257 -8.461 1.00 71.23 C ATOM 382 C SER A 24 6.161 3.316 -9.188 1.00 64.35 C ATOM 383 O SER A 24 5.807 2.714 -10.202 1.00 64.34 O ATOM 384 CB SER A 24 5.928 5.556 -8.100 1.00 41.32 C ATOM 385 OG SER A 24 6.748 5.998 -9.168 1.00 63.52 O ATOM 0 H SER A 24 4.831 4.149 -6.401 1.00 72.03 H new ATOM 0 HA SER A 24 4.373 4.486 -9.126 1.00 71.23 H new ATOM 0 HB2 SER A 24 5.197 6.326 -7.856 1.00 41.32 H new ATOM 0 HB3 SER A 24 6.537 5.402 -7.209 1.00 41.32 H new ATOM 0 HG SER A 24 7.197 6.831 -8.913 1.00 63.52 H new ATOM 391 N LYS A 25 7.376 3.194 -8.663 1.00 34.31 N ATOM 392 CA LYS A 25 8.384 2.326 -9.259 1.00 22.30 C ATOM 393 C LYS A 25 8.237 0.894 -8.755 1.00 35.34 C ATOM 394 O LYS A 25 7.389 0.608 -7.908 1.00 52.43 O ATOM 395 CB LYS A 25 9.788 2.847 -8.942 1.00 14.24 C ATOM 396 CG LYS A 25 10.102 4.183 -9.593 1.00 71.34 C ATOM 397 CD LYS A 25 11.435 4.147 -10.323 1.00 15.45 C ATOM 398 CE LYS A 25 11.872 5.540 -10.751 1.00 63.53 C ATOM 399 NZ LYS A 25 13.329 5.593 -11.057 1.00 53.33 N ATOM 0 H LYS A 25 7.686 3.686 -7.825 1.00 34.31 H new ATOM 0 HA LYS A 25 8.236 2.329 -10.339 1.00 22.30 H new ATOM 0 HB2 LYS A 25 9.895 2.945 -7.862 1.00 14.24 H new ATOM 0 HB3 LYS A 25 10.522 2.111 -9.270 1.00 14.24 H new ATOM 0 HG2 LYS A 25 9.309 4.443 -10.294 1.00 71.34 H new ATOM 0 HG3 LYS A 25 10.123 4.964 -8.832 1.00 71.34 H new ATOM 0 HD2 LYS A 25 12.194 3.709 -9.675 1.00 15.45 H new ATOM 0 HD3 LYS A 25 11.354 3.504 -11.200 1.00 15.45 H new ATOM 0 HE2 LYS A 25 11.305 5.845 -11.630 1.00 63.53 H new ATOM 0 HE3 LYS A 25 11.641 6.253 -9.959 1.00 63.53 H new ATOM 0 HZ1 LYS A 25 13.588 6.558 -11.345 1.00 53.33 H new ATOM 0 HZ2 LYS A 25 13.871 5.327 -10.211 1.00 53.33 H new ATOM 0 HZ3 LYS A 25 13.546 4.931 -11.830 1.00 53.33 H new ATOM 413 N ILE A 26 9.067 -0.002 -9.278 1.00 51.33 N ATOM 414 CA ILE A 26 9.029 -1.403 -8.878 1.00 45.15 C ATOM 415 C ILE A 26 10.138 -1.719 -7.880 1.00 34.41 C ATOM 416 O ILE A 26 11.271 -1.263 -8.028 1.00 45.00 O ATOM 417 CB ILE A 26 9.166 -2.339 -10.094 1.00 3.02 C ATOM 418 CG1 ILE A 26 8.048 -2.068 -11.102 1.00 41.24 C ATOM 419 CG2 ILE A 26 9.143 -3.793 -9.648 1.00 24.25 C ATOM 420 CD1 ILE A 26 6.679 -2.486 -10.613 1.00 40.44 C ATOM 0 H ILE A 26 9.774 0.217 -9.980 1.00 51.33 H new ATOM 0 HA ILE A 26 8.060 -1.571 -8.407 1.00 45.15 H new ATOM 0 HB ILE A 26 10.122 -2.143 -10.579 1.00 3.02 H new ATOM 0 HG12 ILE A 26 8.032 -1.004 -11.337 1.00 41.24 H new ATOM 0 HG13 ILE A 26 8.270 -2.596 -12.030 1.00 41.24 H new ATOM 0 HG21 ILE A 26 9.241 -4.442 -10.518 1.00 24.25 H new ATOM 0 HG22 ILE A 26 9.971 -3.977 -8.963 1.00 24.25 H new ATOM 0 HG23 ILE A 26 8.201 -4.004 -9.142 1.00 24.25 H new ATOM 0 HD11 ILE A 26 5.936 -2.264 -11.379 1.00 40.44 H new ATOM 0 HD12 ILE A 26 6.678 -3.556 -10.405 1.00 40.44 H new ATOM 0 HD13 ILE A 26 6.436 -1.939 -9.702 1.00 40.44 H new ATOM 432 N LYS A 27 9.803 -2.506 -6.863 1.00 12.25 N ATOM 433 CA LYS A 27 10.769 -2.888 -5.840 1.00 2.54 C ATOM 434 C LYS A 27 10.646 -4.370 -5.501 1.00 11.44 C ATOM 435 O LYS A 27 9.541 -4.903 -5.399 1.00 45.23 O ATOM 436 CB LYS A 27 10.566 -2.046 -4.578 1.00 20.15 C ATOM 437 CG LYS A 27 11.368 -2.536 -3.384 1.00 41.03 C ATOM 438 CD LYS A 27 12.018 -1.383 -2.638 1.00 14.12 C ATOM 439 CE LYS A 27 13.385 -1.046 -3.213 1.00 53.12 C ATOM 440 NZ LYS A 27 14.455 -1.909 -2.641 1.00 42.24 N ATOM 0 H LYS A 27 8.869 -2.892 -6.725 1.00 12.25 H new ATOM 0 HA LYS A 27 11.769 -2.706 -6.234 1.00 2.54 H new ATOM 0 HB2 LYS A 27 10.843 -1.014 -4.792 1.00 20.15 H new ATOM 0 HB3 LYS A 27 9.507 -2.045 -4.318 1.00 20.15 H new ATOM 0 HG2 LYS A 27 10.715 -3.086 -2.707 1.00 41.03 H new ATOM 0 HG3 LYS A 27 12.136 -3.232 -3.721 1.00 41.03 H new ATOM 0 HD2 LYS A 27 11.374 -0.505 -2.690 1.00 14.12 H new ATOM 0 HD3 LYS A 27 12.119 -1.641 -1.584 1.00 14.12 H new ATOM 0 HE2 LYS A 27 13.363 -1.165 -4.296 1.00 53.12 H new ATOM 0 HE3 LYS A 27 13.616 0.000 -3.012 1.00 53.12 H new ATOM 0 HZ1 LYS A 27 15.282 -1.325 -2.404 1.00 42.24 H new ATOM 0 HZ2 LYS A 27 14.102 -2.375 -1.781 1.00 42.24 H new ATOM 0 HZ3 LYS A 27 14.729 -2.631 -3.338 1.00 42.24 H new ATOM 454 N ALA A 28 11.786 -5.029 -5.325 1.00 45.31 N ATOM 455 CA ALA A 28 11.805 -6.448 -4.994 1.00 24.11 C ATOM 456 C ALA A 28 12.742 -6.726 -3.823 1.00 34.13 C ATOM 457 O ALA A 28 13.955 -6.552 -3.931 1.00 44.42 O ATOM 458 CB ALA A 28 12.217 -7.268 -6.208 1.00 5.23 C ATOM 0 H ALA A 28 12.709 -4.603 -5.406 1.00 45.31 H new ATOM 0 HA ALA A 28 10.798 -6.740 -4.697 1.00 24.11 H new ATOM 0 HB1 ALA A 28 12.227 -8.326 -5.946 1.00 5.23 H new ATOM 0 HB2 ALA A 28 11.507 -7.101 -7.018 1.00 5.23 H new ATOM 0 HB3 ALA A 28 13.213 -6.965 -6.531 1.00 5.23 H new ATOM 464 N ARG A 29 12.170 -7.159 -2.704 1.00 13.42 N ATOM 465 CA ARG A 29 12.954 -7.459 -1.512 1.00 15.22 C ATOM 466 C ARG A 29 12.702 -8.888 -1.041 1.00 61.44 C ATOM 467 O ARG A 29 11.635 -9.201 -0.513 1.00 53.24 O ATOM 468 CB ARG A 29 12.614 -6.475 -0.391 1.00 11.41 C ATOM 469 CG ARG A 29 13.400 -6.713 0.888 1.00 34.31 C ATOM 470 CD ARG A 29 12.727 -6.061 2.085 1.00 15.44 C ATOM 471 NE ARG A 29 13.252 -4.724 2.347 1.00 4.43 N ATOM 472 CZ ARG A 29 14.474 -4.493 2.815 1.00 20.15 C ATOM 473 NH1 ARG A 29 15.291 -5.505 3.071 1.00 24.13 N ATOM 474 NH2 ARG A 29 14.880 -3.248 3.028 1.00 3.11 N ATOM 0 H ARG A 29 11.167 -7.310 -2.598 1.00 13.42 H new ATOM 0 HA ARG A 29 14.009 -7.359 -1.767 1.00 15.22 H new ATOM 0 HB2 ARG A 29 12.804 -5.460 -0.740 1.00 11.41 H new ATOM 0 HB3 ARG A 29 11.549 -6.543 -0.171 1.00 11.41 H new ATOM 0 HG2 ARG A 29 13.497 -7.785 1.063 1.00 34.31 H new ATOM 0 HG3 ARG A 29 14.409 -6.316 0.776 1.00 34.31 H new ATOM 0 HD2 ARG A 29 11.653 -6.001 1.909 1.00 15.44 H new ATOM 0 HD3 ARG A 29 12.871 -6.686 2.966 1.00 15.44 H new ATOM 0 HE ARG A 29 12.648 -3.924 2.161 1.00 4.43 H new ATOM 0 HH11 ARG A 29 14.982 -6.463 2.909 1.00 24.13 H new ATOM 0 HH12 ARG A 29 16.229 -5.325 3.430 1.00 24.13 H new ATOM 0 HH21 ARG A 29 14.254 -2.467 2.833 1.00 3.11 H new ATOM 0 HH22 ARG A 29 15.818 -3.072 3.387 1.00 3.11 H new ATOM 488 N VAL A 30 13.692 -9.753 -1.237 1.00 64.33 N ATOM 489 CA VAL A 30 13.579 -11.150 -0.833 1.00 2.50 C ATOM 490 C VAL A 30 13.759 -11.302 0.673 1.00 4.22 C ATOM 491 O VAL A 30 14.862 -11.139 1.195 1.00 34.44 O ATOM 492 CB VAL A 30 14.618 -12.029 -1.555 1.00 14.23 C ATOM 493 CG1 VAL A 30 14.638 -13.429 -0.960 1.00 1.52 C ATOM 494 CG2 VAL A 30 14.327 -12.079 -3.047 1.00 45.01 C ATOM 0 H VAL A 30 14.582 -9.511 -1.673 1.00 64.33 H new ATOM 0 HA VAL A 30 12.578 -11.481 -1.112 1.00 2.50 H new ATOM 0 HB VAL A 30 15.604 -11.586 -1.415 1.00 14.23 H new ATOM 0 HG11 VAL A 30 15.378 -14.036 -1.482 1.00 1.52 H new ATOM 0 HG12 VAL A 30 14.897 -13.371 0.097 1.00 1.52 H new ATOM 0 HG13 VAL A 30 13.654 -13.884 -1.068 1.00 1.52 H new ATOM 0 HG21 VAL A 30 15.070 -12.704 -3.542 1.00 45.01 H new ATOM 0 HG22 VAL A 30 13.334 -12.498 -3.210 1.00 45.01 H new ATOM 0 HG23 VAL A 30 14.368 -11.071 -3.460 1.00 45.01 H new ATOM 504 N GLU A 31 12.669 -11.615 1.366 1.00 74.35 N ATOM 505 CA GLU A 31 12.707 -11.789 2.813 1.00 61.32 C ATOM 506 C GLU A 31 12.373 -13.228 3.197 1.00 53.21 C ATOM 507 O GLU A 31 11.267 -13.707 2.948 1.00 43.31 O ATOM 508 CB GLU A 31 11.728 -10.828 3.490 1.00 22.15 C ATOM 509 CG GLU A 31 11.572 -11.070 4.982 1.00 31.23 C ATOM 510 CD GLU A 31 11.275 -9.798 5.752 1.00 50.21 C ATOM 511 OE1 GLU A 31 11.828 -8.740 5.384 1.00 55.03 O ATOM 512 OE2 GLU A 31 10.491 -9.860 6.722 1.00 50.53 O ATOM 0 H GLU A 31 11.749 -11.753 0.949 1.00 74.35 H new ATOM 0 HA GLU A 31 13.718 -11.566 3.154 1.00 61.32 H new ATOM 0 HB2 GLU A 31 12.067 -9.805 3.330 1.00 22.15 H new ATOM 0 HB3 GLU A 31 10.753 -10.919 3.012 1.00 22.15 H new ATOM 0 HG2 GLU A 31 10.768 -11.787 5.148 1.00 31.23 H new ATOM 0 HG3 GLU A 31 12.485 -11.520 5.371 1.00 31.23 H new ATOM 519 N ASN A 32 13.337 -13.911 3.805 1.00 61.24 N ATOM 520 CA ASN A 32 13.146 -15.295 4.222 1.00 23.35 C ATOM 521 C ASN A 32 12.588 -15.363 5.641 1.00 61.43 C ATOM 522 O ASN A 32 12.645 -14.388 6.389 1.00 1.25 O ATOM 523 CB ASN A 32 14.469 -16.060 4.146 1.00 63.11 C ATOM 524 CG ASN A 32 15.244 -16.008 5.449 1.00 53.43 C ATOM 525 OD1 ASN A 32 15.238 -16.962 6.226 1.00 64.43 O ATOM 526 ND2 ASN A 32 15.915 -14.888 5.693 1.00 15.13 N ATOM 0 H ASN A 32 14.258 -13.529 4.020 1.00 61.24 H new ATOM 0 HA ASN A 32 12.428 -15.757 3.545 1.00 23.35 H new ATOM 0 HB2 ASN A 32 14.270 -17.100 3.886 1.00 63.11 H new ATOM 0 HB3 ASN A 32 15.081 -15.643 3.346 1.00 63.11 H new ATOM 0 HD21 ASN A 32 16.454 -14.794 6.554 1.00 15.13 H new ATOM 0 HD22 ASN A 32 15.891 -14.122 5.020 1.00 15.13 H new ATOM 533 N VAL A 33 12.049 -16.523 6.004 1.00 52.14 N ATOM 534 CA VAL A 33 11.482 -16.720 7.332 1.00 14.23 C ATOM 535 C VAL A 33 12.195 -17.845 8.073 1.00 21.11 C ATOM 536 O VAL A 33 12.259 -17.851 9.303 1.00 73.25 O ATOM 537 CB VAL A 33 9.977 -17.042 7.258 1.00 2.44 C ATOM 538 CG1 VAL A 33 9.177 -15.785 6.953 1.00 14.21 C ATOM 539 CG2 VAL A 33 9.714 -18.118 6.216 1.00 14.12 C ATOM 0 H VAL A 33 11.993 -17.340 5.396 1.00 52.14 H new ATOM 0 HA VAL A 33 11.620 -15.786 7.876 1.00 14.23 H new ATOM 0 HB VAL A 33 9.655 -17.422 8.228 1.00 2.44 H new ATOM 0 HG11 VAL A 33 8.116 -16.032 6.904 1.00 14.21 H new ATOM 0 HG12 VAL A 33 9.343 -15.049 7.739 1.00 14.21 H new ATOM 0 HG13 VAL A 33 9.498 -15.373 5.996 1.00 14.21 H new ATOM 0 HG21 VAL A 33 8.646 -18.333 6.177 1.00 14.12 H new ATOM 0 HG22 VAL A 33 10.050 -17.769 5.240 1.00 14.12 H new ATOM 0 HG23 VAL A 33 10.257 -19.024 6.484 1.00 14.12 H new ATOM 549 N VAL A 34 12.732 -18.797 7.317 1.00 72.34 N ATOM 550 CA VAL A 34 13.443 -19.928 7.901 1.00 71.11 C ATOM 551 C VAL A 34 14.486 -19.460 8.909 1.00 0.41 C ATOM 552 O VAL A 34 14.665 -20.071 9.962 1.00 51.23 O ATOM 553 CB VAL A 34 14.136 -20.776 6.818 1.00 42.44 C ATOM 554 CG1 VAL A 34 13.109 -21.554 6.010 1.00 20.42 C ATOM 555 CG2 VAL A 34 14.981 -19.893 5.911 1.00 23.23 C ATOM 0 H VAL A 34 12.688 -18.808 6.298 1.00 72.34 H new ATOM 0 HA VAL A 34 12.699 -20.541 8.410 1.00 71.11 H new ATOM 0 HB VAL A 34 14.795 -21.492 7.308 1.00 42.44 H new ATOM 0 HG11 VAL A 34 13.618 -22.147 5.250 1.00 20.42 H new ATOM 0 HG12 VAL A 34 12.550 -22.215 6.672 1.00 20.42 H new ATOM 0 HG13 VAL A 34 12.422 -20.858 5.528 1.00 20.42 H new ATOM 0 HG21 VAL A 34 15.464 -20.508 5.151 1.00 23.23 H new ATOM 0 HG22 VAL A 34 14.344 -19.153 5.427 1.00 23.23 H new ATOM 0 HG23 VAL A 34 15.742 -19.385 6.504 1.00 23.23 H new ATOM 565 N ASN A 35 15.172 -18.370 8.579 1.00 22.25 N ATOM 566 CA ASN A 35 16.199 -17.819 9.457 1.00 53.24 C ATOM 567 C ASN A 35 15.633 -16.692 10.315 1.00 53.41 C ATOM 568 O ASN A 35 16.129 -16.420 11.408 1.00 74.24 O ATOM 569 CB ASN A 35 17.380 -17.303 8.632 1.00 22.34 C ATOM 570 CG ASN A 35 18.449 -18.360 8.430 1.00 73.22 C ATOM 571 OD1 ASN A 35 18.937 -18.957 9.389 1.00 2.15 O ATOM 572 ND2 ASN A 35 18.817 -18.596 7.176 1.00 71.30 N ATOM 0 H ASN A 35 15.036 -17.851 7.711 1.00 22.25 H new ATOM 0 HA ASN A 35 16.545 -18.615 10.116 1.00 53.24 H new ATOM 0 HB2 ASN A 35 17.020 -16.963 7.661 1.00 22.34 H new ATOM 0 HB3 ASN A 35 17.818 -16.438 9.130 1.00 22.34 H new ATOM 0 HD21 ASN A 35 19.531 -19.296 6.977 1.00 71.30 H new ATOM 0 HD22 ASN A 35 18.385 -18.077 6.411 1.00 71.30 H new ATOM 579 N GLY A 36 14.590 -16.038 9.812 1.00 74.33 N ATOM 580 CA GLY A 36 13.973 -14.949 10.545 1.00 13.41 C ATOM 581 C GLY A 36 14.533 -13.596 10.154 1.00 43.32 C ATOM 582 O GLY A 36 13.839 -12.582 10.228 1.00 54.10 O ATOM 0 H GLY A 36 14.162 -16.244 8.909 1.00 74.33 H new ATOM 0 HA2 GLY A 36 12.898 -14.959 10.367 1.00 13.41 H new ATOM 0 HA3 GLY A 36 14.121 -15.105 11.614 1.00 13.41 H new ATOM 586 N LYS A 37 15.795 -13.578 9.737 1.00 11.01 N ATOM 587 CA LYS A 37 16.450 -12.340 9.333 1.00 42.13 C ATOM 588 C LYS A 37 16.452 -12.196 7.814 1.00 12.12 C ATOM 589 O LYS A 37 17.166 -12.914 7.114 1.00 53.41 O ATOM 590 CB LYS A 37 17.886 -12.303 9.861 1.00 42.24 C ATOM 591 CG LYS A 37 18.738 -11.214 9.231 1.00 13.12 C ATOM 592 CD LYS A 37 18.125 -9.839 9.436 1.00 41.40 C ATOM 593 CE LYS A 37 18.001 -9.498 10.913 1.00 4.12 C ATOM 594 NZ LYS A 37 18.129 -8.034 11.157 1.00 34.44 N ATOM 0 H LYS A 37 16.384 -14.408 9.670 1.00 11.01 H new ATOM 0 HA LYS A 37 15.891 -11.507 9.759 1.00 42.13 H new ATOM 0 HB2 LYS A 37 17.863 -12.156 10.941 1.00 42.24 H new ATOM 0 HB3 LYS A 37 18.356 -13.270 9.681 1.00 42.24 H new ATOM 0 HG2 LYS A 37 19.738 -11.236 9.665 1.00 13.12 H new ATOM 0 HG3 LYS A 37 18.849 -11.409 8.164 1.00 13.12 H new ATOM 0 HD2 LYS A 37 18.739 -9.088 8.939 1.00 41.40 H new ATOM 0 HD3 LYS A 37 17.140 -9.805 8.970 1.00 41.40 H new ATOM 0 HE2 LYS A 37 17.038 -9.846 11.286 1.00 4.12 H new ATOM 0 HE3 LYS A 37 18.770 -10.028 11.474 1.00 4.12 H new ATOM 0 HZ1 LYS A 37 18.039 -7.843 12.175 1.00 34.44 H new ATOM 0 HZ2 LYS A 37 19.058 -7.706 10.824 1.00 34.44 H new ATOM 0 HZ3 LYS A 37 17.379 -7.529 10.642 1.00 34.44 H new ATOM 608 N SER A 38 15.649 -11.263 7.312 1.00 61.01 N ATOM 609 CA SER A 38 15.557 -11.027 5.876 1.00 54.31 C ATOM 610 C SER A 38 16.941 -10.825 5.268 1.00 4.12 C ATOM 611 O SER A 38 17.779 -10.116 5.825 1.00 3.35 O ATOM 612 CB SER A 38 14.681 -9.805 5.594 1.00 15.42 C ATOM 613 OG SER A 38 15.314 -8.613 6.025 1.00 43.40 O ATOM 0 H SER A 38 15.053 -10.659 7.878 1.00 61.01 H new ATOM 0 HA SER A 38 15.103 -11.905 5.417 1.00 54.31 H new ATOM 0 HB2 SER A 38 14.471 -9.743 4.526 1.00 15.42 H new ATOM 0 HB3 SER A 38 13.723 -9.916 6.102 1.00 15.42 H new ATOM 0 HG SER A 38 14.735 -7.847 5.832 1.00 43.40 H new ATOM 619 N VAL A 39 17.175 -11.454 4.121 1.00 73.22 N ATOM 620 CA VAL A 39 18.457 -11.344 3.435 1.00 12.03 C ATOM 621 C VAL A 39 18.263 -11.159 1.935 1.00 44.45 C ATOM 622 O VAL A 39 18.669 -12.003 1.137 1.00 43.53 O ATOM 623 CB VAL A 39 19.332 -12.587 3.679 1.00 24.43 C ATOM 624 CG1 VAL A 39 20.071 -12.469 5.004 1.00 73.21 C ATOM 625 CG2 VAL A 39 18.485 -13.850 3.642 1.00 24.54 C ATOM 0 H VAL A 39 16.493 -12.046 3.647 1.00 73.22 H new ATOM 0 HA VAL A 39 18.961 -10.468 3.844 1.00 12.03 H new ATOM 0 HB VAL A 39 20.073 -12.650 2.882 1.00 24.43 H new ATOM 0 HG11 VAL A 39 20.684 -13.357 5.159 1.00 73.21 H new ATOM 0 HG12 VAL A 39 20.709 -11.586 4.987 1.00 73.21 H new ATOM 0 HG13 VAL A 39 19.350 -12.380 5.816 1.00 73.21 H new ATOM 0 HG21 VAL A 39 19.120 -14.719 3.816 1.00 24.54 H new ATOM 0 HG22 VAL A 39 17.720 -13.798 4.417 1.00 24.54 H new ATOM 0 HG23 VAL A 39 18.007 -13.939 2.666 1.00 24.54 H new ATOM 635 N GLY A 40 17.640 -10.047 1.556 1.00 1.44 N ATOM 636 CA GLY A 40 17.404 -9.770 0.152 1.00 53.34 C ATOM 637 C GLY A 40 16.983 -8.334 -0.094 1.00 31.33 C ATOM 638 O GLY A 40 16.062 -7.832 0.550 1.00 50.14 O ATOM 0 H GLY A 40 17.295 -9.333 2.197 1.00 1.44 H new ATOM 0 HA2 GLY A 40 18.311 -9.981 -0.414 1.00 53.34 H new ATOM 0 HA3 GLY A 40 16.631 -10.441 -0.222 1.00 53.34 H new ATOM 642 N ALA A 41 17.660 -7.672 -1.026 1.00 2.23 N ATOM 643 CA ALA A 41 17.351 -6.286 -1.354 1.00 41.34 C ATOM 644 C ALA A 41 17.697 -5.976 -2.807 1.00 14.21 C ATOM 645 O ALA A 41 18.831 -6.178 -3.242 1.00 14.53 O ATOM 646 CB ALA A 41 18.095 -5.343 -0.420 1.00 63.21 C ATOM 0 H ALA A 41 18.426 -8.073 -1.567 1.00 2.23 H new ATOM 0 HA ALA A 41 16.279 -6.138 -1.223 1.00 41.34 H new ATOM 0 HB1 ALA A 41 17.854 -4.311 -0.677 1.00 63.21 H new ATOM 0 HB2 ALA A 41 17.796 -5.540 0.610 1.00 63.21 H new ATOM 0 HB3 ALA A 41 19.169 -5.501 -0.522 1.00 63.21 H new ATOM 652 N ARG A 42 16.712 -5.485 -3.553 1.00 21.32 N ATOM 653 CA ARG A 42 16.912 -5.149 -4.957 1.00 61.53 C ATOM 654 C ARG A 42 15.943 -4.057 -5.398 1.00 40.54 C ATOM 655 O ARG A 42 14.952 -3.781 -4.721 1.00 62.44 O ATOM 656 CB ARG A 42 16.729 -6.391 -5.832 1.00 22.43 C ATOM 657 CG ARG A 42 18.039 -7.014 -6.287 1.00 50.11 C ATOM 658 CD ARG A 42 18.845 -6.051 -7.145 1.00 75.24 C ATOM 659 NE ARG A 42 19.949 -6.720 -7.828 1.00 2.40 N ATOM 660 CZ ARG A 42 20.898 -6.074 -8.498 1.00 35.13 C ATOM 661 NH1 ARG A 42 20.876 -4.751 -8.574 1.00 1.41 N ATOM 662 NH2 ARG A 42 21.870 -6.753 -9.093 1.00 3.35 N ATOM 0 H ARG A 42 15.768 -5.311 -3.208 1.00 21.32 H new ATOM 0 HA ARG A 42 17.930 -4.777 -5.074 1.00 61.53 H new ATOM 0 HB2 ARG A 42 16.156 -7.134 -5.278 1.00 22.43 H new ATOM 0 HB3 ARG A 42 16.140 -6.124 -6.709 1.00 22.43 H new ATOM 0 HG2 ARG A 42 18.626 -7.306 -5.416 1.00 50.11 H new ATOM 0 HG3 ARG A 42 17.834 -7.923 -6.853 1.00 50.11 H new ATOM 0 HD2 ARG A 42 18.190 -5.587 -7.883 1.00 75.24 H new ATOM 0 HD3 ARG A 42 19.238 -5.250 -6.519 1.00 75.24 H new ATOM 0 HE ARG A 42 19.994 -7.738 -7.789 1.00 2.40 H new ATOM 0 HH11 ARG A 42 20.130 -4.226 -8.118 1.00 1.41 H new ATOM 0 HH12 ARG A 42 21.605 -4.258 -9.089 1.00 1.41 H new ATOM 0 HH21 ARG A 42 21.889 -7.771 -9.036 1.00 3.35 H new ATOM 0 HH22 ARG A 42 22.598 -6.257 -9.607 1.00 3.35 H new ATOM 676 N ASP A 43 16.236 -3.437 -6.536 1.00 64.03 N ATOM 677 CA ASP A 43 15.391 -2.374 -7.068 1.00 61.43 C ATOM 678 C ASP A 43 15.136 -2.578 -8.559 1.00 2.44 C ATOM 679 O ASP A 43 16.060 -2.519 -9.371 1.00 14.33 O ATOM 680 CB ASP A 43 16.040 -1.010 -6.831 1.00 22.03 C ATOM 681 CG ASP A 43 16.116 -0.653 -5.359 1.00 73.21 C ATOM 682 OD1 ASP A 43 16.698 -1.442 -4.586 1.00 64.50 O ATOM 683 OD2 ASP A 43 15.593 0.416 -4.981 1.00 31.43 O ATOM 0 H ASP A 43 17.053 -3.652 -7.108 1.00 64.03 H new ATOM 0 HA ASP A 43 14.435 -2.408 -6.546 1.00 61.43 H new ATOM 0 HB2 ASP A 43 17.045 -1.010 -7.254 1.00 22.03 H new ATOM 0 HB3 ASP A 43 15.472 -0.244 -7.359 1.00 22.03 H new ATOM 688 N PHE A 44 13.878 -2.818 -8.911 1.00 34.11 N ATOM 689 CA PHE A 44 13.501 -3.032 -10.303 1.00 61.34 C ATOM 690 C PHE A 44 12.843 -1.786 -10.887 1.00 12.52 C ATOM 691 O PHE A 44 12.684 -0.775 -10.201 1.00 23.50 O ATOM 692 CB PHE A 44 12.551 -4.226 -10.419 1.00 60.11 C ATOM 693 CG PHE A 44 13.258 -5.545 -10.551 1.00 43.51 C ATOM 694 CD1 PHE A 44 14.336 -5.853 -9.736 1.00 55.40 C ATOM 695 CD2 PHE A 44 12.846 -6.476 -11.491 1.00 2.31 C ATOM 696 CE1 PHE A 44 14.988 -7.065 -9.855 1.00 24.13 C ATOM 697 CE2 PHE A 44 13.495 -7.690 -11.614 1.00 12.12 C ATOM 698 CZ PHE A 44 14.568 -7.984 -10.796 1.00 30.54 C ATOM 0 H PHE A 44 13.102 -2.869 -8.251 1.00 34.11 H new ATOM 0 HA PHE A 44 14.408 -3.242 -10.870 1.00 61.34 H new ATOM 0 HB2 PHE A 44 11.907 -4.254 -9.540 1.00 60.11 H new ATOM 0 HB3 PHE A 44 11.903 -4.082 -11.284 1.00 60.11 H new ATOM 0 HD1 PHE A 44 14.670 -5.137 -8.999 1.00 55.40 H new ATOM 0 HD2 PHE A 44 12.009 -6.250 -12.135 1.00 2.31 H new ATOM 0 HE1 PHE A 44 15.826 -7.294 -9.213 1.00 24.13 H new ATOM 0 HE2 PHE A 44 13.163 -8.408 -12.349 1.00 12.12 H new ATOM 0 HZ PHE A 44 15.078 -8.931 -10.892 1.00 30.54 H new ATOM 708 N ASP A 45 12.462 -1.864 -12.157 1.00 61.40 N ATOM 709 CA ASP A 45 11.820 -0.743 -12.834 1.00 24.40 C ATOM 710 C ASP A 45 10.440 -1.138 -13.349 1.00 14.11 C ATOM 711 O ASP A 45 9.447 -0.464 -13.073 1.00 44.51 O ATOM 712 CB ASP A 45 12.690 -0.254 -13.993 1.00 61.41 C ATOM 713 CG ASP A 45 13.966 0.413 -13.518 1.00 60.43 C ATOM 714 OD1 ASP A 45 14.857 -0.302 -13.013 1.00 61.20 O ATOM 715 OD2 ASP A 45 14.074 1.649 -13.653 1.00 0.23 O ATOM 0 H ASP A 45 12.587 -2.692 -12.739 1.00 61.40 H new ATOM 0 HA ASP A 45 11.701 0.066 -12.113 1.00 24.40 H new ATOM 0 HB2 ASP A 45 12.942 -1.098 -14.635 1.00 61.41 H new ATOM 0 HB3 ASP A 45 12.120 0.450 -14.600 1.00 61.41 H new ATOM 720 N SER A 46 10.384 -2.234 -14.099 1.00 42.31 N ATOM 721 CA SER A 46 9.126 -2.715 -14.657 1.00 31.41 C ATOM 722 C SER A 46 8.714 -4.034 -14.009 1.00 14.41 C ATOM 723 O SER A 46 9.544 -4.915 -13.782 1.00 14.40 O ATOM 724 CB SER A 46 9.251 -2.895 -16.171 1.00 73.41 C ATOM 725 OG SER A 46 7.975 -2.946 -16.786 1.00 12.15 O ATOM 0 H SER A 46 11.195 -2.806 -14.334 1.00 42.31 H new ATOM 0 HA SER A 46 8.357 -1.971 -14.449 1.00 31.41 H new ATOM 0 HB2 SER A 46 9.828 -2.072 -16.592 1.00 73.41 H new ATOM 0 HB3 SER A 46 9.799 -3.812 -16.387 1.00 73.41 H new ATOM 0 HG SER A 46 8.082 -3.060 -17.753 1.00 12.15 H new ATOM 731 N THR A 47 7.424 -4.162 -13.712 1.00 70.25 N ATOM 732 CA THR A 47 6.900 -5.371 -13.090 1.00 32.05 C ATOM 733 C THR A 47 7.097 -6.584 -13.991 1.00 61.23 C ATOM 734 O THR A 47 7.233 -7.709 -13.512 1.00 23.13 O ATOM 735 CB THR A 47 5.402 -5.229 -12.760 1.00 11.12 C ATOM 736 OG1 THR A 47 5.045 -3.844 -12.690 1.00 52.14 O ATOM 737 CG2 THR A 47 5.071 -5.910 -11.440 1.00 43.23 C ATOM 0 H THR A 47 6.724 -3.443 -13.892 1.00 70.25 H new ATOM 0 HA THR A 47 7.457 -5.516 -12.164 1.00 32.05 H new ATOM 0 HB THR A 47 4.831 -5.712 -13.553 1.00 11.12 H new ATOM 0 HG1 THR A 47 4.091 -3.762 -12.482 1.00 52.14 H new ATOM 0 HG21 THR A 47 4.008 -5.796 -11.228 1.00 43.23 H new ATOM 0 HG22 THR A 47 5.317 -6.970 -11.506 1.00 43.23 H new ATOM 0 HG23 THR A 47 5.651 -5.452 -10.639 1.00 43.23 H new ATOM 745 N GLU A 48 7.112 -6.347 -15.299 1.00 60.43 N ATOM 746 CA GLU A 48 7.293 -7.423 -16.268 1.00 11.45 C ATOM 747 C GLU A 48 8.534 -8.248 -15.939 1.00 12.31 C ATOM 748 O GLU A 48 8.457 -9.466 -15.782 1.00 3.24 O ATOM 749 CB GLU A 48 7.407 -6.851 -17.682 1.00 71.13 C ATOM 750 CG GLU A 48 7.307 -7.904 -18.774 1.00 1.53 C ATOM 751 CD GLU A 48 7.554 -7.334 -20.157 1.00 64.43 C ATOM 752 OE1 GLU A 48 6.706 -6.554 -20.637 1.00 73.05 O ATOM 753 OE2 GLU A 48 8.596 -7.669 -20.760 1.00 34.12 O ATOM 0 H GLU A 48 7.001 -5.421 -15.712 1.00 60.43 H new ATOM 0 HA GLU A 48 6.421 -8.075 -16.217 1.00 11.45 H new ATOM 0 HB2 GLU A 48 6.621 -6.110 -17.830 1.00 71.13 H new ATOM 0 HB3 GLU A 48 8.359 -6.329 -17.778 1.00 71.13 H new ATOM 0 HG2 GLU A 48 8.029 -8.696 -18.577 1.00 1.53 H new ATOM 0 HG3 GLU A 48 6.318 -8.360 -18.744 1.00 1.53 H new ATOM 760 N GLN A 49 9.675 -7.574 -15.838 1.00 22.23 N ATOM 761 CA GLN A 49 10.933 -8.245 -15.529 1.00 54.13 C ATOM 762 C GLN A 49 10.933 -8.769 -14.097 1.00 60.11 C ATOM 763 O GLN A 49 11.645 -9.720 -13.773 1.00 62.42 O ATOM 764 CB GLN A 49 12.109 -7.289 -15.735 1.00 51.05 C ATOM 765 CG GLN A 49 11.944 -5.958 -15.019 1.00 70.25 C ATOM 766 CD GLN A 49 13.264 -5.244 -14.804 1.00 53.34 C ATOM 767 OE1 GLN A 49 14.229 -5.946 -14.223 1.00 32.44 O flip ATOM 768 NE2 GLN A 49 13.414 -4.073 -15.157 1.00 44.22 N flip ATOM 0 H GLN A 49 9.755 -6.565 -15.965 1.00 22.23 H new ATOM 0 HA GLN A 49 11.040 -9.092 -16.206 1.00 54.13 H new ATOM 0 HB2 GLN A 49 13.023 -7.770 -15.385 1.00 51.05 H new ATOM 0 HB3 GLN A 49 12.234 -7.105 -16.802 1.00 51.05 H new ATOM 0 HG2 GLN A 49 11.279 -5.318 -15.599 1.00 70.25 H new ATOM 0 HG3 GLN A 49 11.464 -6.125 -14.055 1.00 70.25 H new ATOM 0 HE21 GLN A 49 12.644 -3.571 -15.600 1.00 44.22 H new ATOM 0 HE22 GLN A 49 14.308 -3.605 -15.006 1.00 44.22 H new ATOM 777 N LEU A 50 10.131 -8.143 -13.243 1.00 40.21 N ATOM 778 CA LEU A 50 10.039 -8.546 -11.844 1.00 53.11 C ATOM 779 C LEU A 50 9.708 -10.030 -11.726 1.00 21.22 C ATOM 780 O LEU A 50 10.450 -10.793 -11.108 1.00 32.21 O ATOM 781 CB LEU A 50 8.975 -7.716 -11.123 1.00 4.21 C ATOM 782 CG LEU A 50 9.217 -7.462 -9.635 1.00 24.04 C ATOM 783 CD1 LEU A 50 8.033 -6.735 -9.017 1.00 52.15 C ATOM 784 CD2 LEU A 50 9.480 -8.772 -8.906 1.00 10.00 C ATOM 0 H LEU A 50 9.535 -7.354 -13.495 1.00 40.21 H new ATOM 0 HA LEU A 50 11.008 -8.370 -11.376 1.00 53.11 H new ATOM 0 HB2 LEU A 50 8.891 -6.753 -11.627 1.00 4.21 H new ATOM 0 HB3 LEU A 50 8.014 -8.218 -11.234 1.00 4.21 H new ATOM 0 HG LEU A 50 10.099 -6.829 -9.534 1.00 24.04 H new ATOM 0 HD11 LEU A 50 8.224 -6.563 -7.958 1.00 52.15 H new ATOM 0 HD12 LEU A 50 7.891 -5.778 -9.520 1.00 52.15 H new ATOM 0 HD13 LEU A 50 7.134 -7.341 -9.130 1.00 52.15 H new ATOM 0 HD21 LEU A 50 9.650 -8.572 -7.848 1.00 10.00 H new ATOM 0 HD22 LEU A 50 8.618 -9.430 -9.017 1.00 10.00 H new ATOM 0 HD23 LEU A 50 10.361 -9.254 -9.330 1.00 10.00 H new ATOM 796 N GLU A 51 8.591 -10.432 -12.324 1.00 61.11 N ATOM 797 CA GLU A 51 8.164 -11.826 -12.286 1.00 51.23 C ATOM 798 C GLU A 51 9.069 -12.696 -13.154 1.00 12.11 C ATOM 799 O GLU A 51 9.408 -13.820 -12.784 1.00 15.02 O ATOM 800 CB GLU A 51 6.714 -11.951 -12.757 1.00 55.24 C ATOM 801 CG GLU A 51 5.774 -10.949 -12.108 1.00 10.04 C ATOM 802 CD GLU A 51 4.330 -11.147 -12.526 1.00 31.34 C ATOM 803 OE1 GLU A 51 3.979 -10.745 -13.655 1.00 2.13 O ATOM 804 OE2 GLU A 51 3.551 -11.704 -11.724 1.00 72.23 O ATOM 0 H GLU A 51 7.966 -9.813 -12.840 1.00 61.11 H new ATOM 0 HA GLU A 51 8.235 -12.173 -11.255 1.00 51.23 H new ATOM 0 HB2 GLU A 51 6.680 -11.821 -13.839 1.00 55.24 H new ATOM 0 HB3 GLU A 51 6.358 -12.959 -12.546 1.00 55.24 H new ATOM 0 HG2 GLU A 51 5.849 -11.035 -11.024 1.00 10.04 H new ATOM 0 HG3 GLU A 51 6.089 -9.939 -12.370 1.00 10.04 H new ATOM 811 N SER A 52 9.456 -12.168 -14.310 1.00 40.55 N ATOM 812 CA SER A 52 10.318 -12.897 -15.234 1.00 12.35 C ATOM 813 C SER A 52 11.616 -13.314 -14.550 1.00 23.02 C ATOM 814 O SER A 52 12.263 -14.278 -14.958 1.00 62.42 O ATOM 815 CB SER A 52 10.628 -12.038 -16.461 1.00 73.13 C ATOM 816 OG SER A 52 11.068 -12.838 -17.545 1.00 73.11 O ATOM 0 H SER A 52 9.187 -11.238 -14.630 1.00 40.55 H new ATOM 0 HA SER A 52 9.790 -13.796 -15.553 1.00 12.35 H new ATOM 0 HB2 SER A 52 9.738 -11.481 -16.754 1.00 73.13 H new ATOM 0 HB3 SER A 52 11.395 -11.305 -16.211 1.00 73.13 H new ATOM 0 HG SER A 52 11.258 -12.266 -18.318 1.00 73.11 H new ATOM 822 N TRP A 53 11.991 -12.581 -13.508 1.00 14.32 N ATOM 823 CA TRP A 53 13.212 -12.874 -12.766 1.00 50.14 C ATOM 824 C TRP A 53 13.059 -14.152 -11.950 1.00 24.24 C ATOM 825 O TRP A 53 13.918 -15.034 -11.992 1.00 11.30 O ATOM 826 CB TRP A 53 13.567 -11.705 -11.846 1.00 22.11 C ATOM 827 CG TRP A 53 14.263 -12.130 -10.588 1.00 54.20 C ATOM 828 CD1 TRP A 53 13.872 -11.865 -9.306 1.00 62.33 C ATOM 829 CD2 TRP A 53 15.470 -12.893 -10.492 1.00 45.43 C ATOM 830 NE1 TRP A 53 14.765 -12.418 -8.420 1.00 13.35 N ATOM 831 CE2 TRP A 53 15.754 -13.054 -9.122 1.00 33.02 C ATOM 832 CE3 TRP A 53 16.339 -13.457 -11.430 1.00 41.34 C ATOM 833 CZ2 TRP A 53 16.869 -13.754 -8.670 1.00 70.40 C ATOM 834 CZ3 TRP A 53 17.446 -14.151 -10.980 1.00 73.34 C ATOM 835 CH2 TRP A 53 17.702 -14.296 -9.610 1.00 65.15 C ATOM 0 H TRP A 53 11.467 -11.779 -13.158 1.00 14.32 H new ATOM 0 HA TRP A 53 14.019 -13.019 -13.485 1.00 50.14 H new ATOM 0 HB2 TRP A 53 14.205 -11.006 -12.387 1.00 22.11 H new ATOM 0 HB3 TRP A 53 12.655 -11.168 -11.585 1.00 22.11 H new ATOM 0 HD1 TRP A 53 12.991 -11.304 -9.030 1.00 62.33 H new ATOM 0 HE1 TRP A 53 14.701 -12.364 -7.403 1.00 13.35 H new ATOM 0 HE3 TRP A 53 16.149 -13.352 -12.488 1.00 41.34 H new ATOM 0 HZ2 TRP A 53 17.069 -13.865 -7.615 1.00 70.40 H new ATOM 0 HZ3 TRP A 53 18.125 -14.589 -11.696 1.00 73.34 H new ATOM 0 HH2 TRP A 53 18.574 -14.847 -9.290 1.00 65.15 H new ATOM 846 N PHE A 54 11.962 -14.247 -11.207 1.00 33.14 N ATOM 847 CA PHE A 54 11.698 -15.418 -10.379 1.00 74.41 C ATOM 848 C PHE A 54 11.273 -16.606 -11.238 1.00 24.44 C ATOM 849 O PHE A 54 11.132 -17.725 -10.743 1.00 3.02 O ATOM 850 CB PHE A 54 10.611 -15.106 -9.348 1.00 21.21 C ATOM 851 CG PHE A 54 10.225 -16.289 -8.507 1.00 71.31 C ATOM 852 CD1 PHE A 54 11.116 -16.826 -7.592 1.00 1.23 C ATOM 853 CD2 PHE A 54 8.971 -16.865 -8.632 1.00 13.34 C ATOM 854 CE1 PHE A 54 10.763 -17.915 -6.817 1.00 44.14 C ATOM 855 CE2 PHE A 54 8.612 -17.954 -7.860 1.00 2.24 C ATOM 856 CZ PHE A 54 9.510 -18.479 -6.951 1.00 14.25 C ATOM 0 H PHE A 54 11.241 -13.527 -11.161 1.00 33.14 H new ATOM 0 HA PHE A 54 12.619 -15.679 -9.858 1.00 74.41 H new ATOM 0 HB2 PHE A 54 10.959 -14.305 -8.696 1.00 21.21 H new ATOM 0 HB3 PHE A 54 9.727 -14.734 -9.865 1.00 21.21 H new ATOM 0 HD1 PHE A 54 12.098 -16.389 -7.483 1.00 1.23 H new ATOM 0 HD2 PHE A 54 8.265 -16.458 -9.341 1.00 13.34 H new ATOM 0 HE1 PHE A 54 11.467 -18.324 -6.107 1.00 44.14 H new ATOM 0 HE2 PHE A 54 7.631 -18.394 -7.967 1.00 2.24 H new ATOM 0 HZ PHE A 54 9.232 -19.329 -6.346 1.00 14.25 H new ATOM 866 N TYR A 55 11.071 -16.355 -12.526 1.00 41.11 N ATOM 867 CA TYR A 55 10.660 -17.402 -13.454 1.00 0.11 C ATOM 868 C TYR A 55 11.810 -17.794 -14.377 1.00 31.54 C ATOM 869 O TYR A 55 11.799 -18.867 -14.979 1.00 51.24 O ATOM 870 CB TYR A 55 9.462 -16.936 -14.283 1.00 62.12 C ATOM 871 CG TYR A 55 9.160 -17.829 -15.465 1.00 33.40 C ATOM 872 CD1 TYR A 55 9.795 -17.638 -16.686 1.00 25.33 C ATOM 873 CD2 TYR A 55 8.238 -18.864 -15.361 1.00 51.35 C ATOM 874 CE1 TYR A 55 9.522 -18.451 -17.769 1.00 31.44 C ATOM 875 CE2 TYR A 55 7.959 -19.683 -16.438 1.00 43.35 C ATOM 876 CZ TYR A 55 8.604 -19.472 -17.640 1.00 34.52 C ATOM 877 OH TYR A 55 8.328 -20.285 -18.715 1.00 73.24 O ATOM 0 H TYR A 55 11.185 -15.435 -12.952 1.00 41.11 H new ATOM 0 HA TYR A 55 10.372 -18.277 -12.871 1.00 0.11 H new ATOM 0 HB2 TYR A 55 8.583 -16.888 -13.641 1.00 62.12 H new ATOM 0 HB3 TYR A 55 9.650 -15.924 -14.642 1.00 62.12 H new ATOM 0 HD1 TYR A 55 10.515 -16.840 -16.790 1.00 25.33 H new ATOM 0 HD2 TYR A 55 7.731 -19.031 -14.422 1.00 51.35 H new ATOM 0 HE1 TYR A 55 10.024 -18.288 -18.711 1.00 31.44 H new ATOM 0 HE2 TYR A 55 7.241 -20.483 -16.340 1.00 43.35 H new ATOM 0 HH TYR A 55 7.660 -20.954 -18.456 1.00 73.24 H new ATOM 887 N GLY A 56 12.803 -16.916 -14.481 1.00 32.22 N ATOM 888 CA GLY A 56 13.947 -17.188 -15.331 1.00 3.12 C ATOM 889 C GLY A 56 15.010 -18.008 -14.627 1.00 62.23 C ATOM 890 O GLY A 56 16.110 -18.194 -15.151 1.00 35.00 O ATOM 0 H GLY A 56 12.835 -16.022 -13.992 1.00 32.22 H new ATOM 0 HA2 GLY A 56 13.615 -17.719 -16.223 1.00 3.12 H new ATOM 0 HA3 GLY A 56 14.381 -16.245 -15.664 1.00 3.12 H new ATOM 894 N LEU A 57 14.684 -18.499 -13.437 1.00 24.42 N ATOM 895 CA LEU A 57 15.620 -19.304 -12.659 1.00 5.43 C ATOM 896 C LEU A 57 15.347 -20.792 -12.848 1.00 22.33 C ATOM 897 O LEU A 57 14.215 -21.216 -13.081 1.00 60.00 O ATOM 898 CB LEU A 57 15.525 -18.940 -11.176 1.00 25.21 C ATOM 899 CG LEU A 57 15.943 -17.517 -10.806 1.00 2.34 C ATOM 900 CD1 LEU A 57 15.173 -17.035 -9.586 1.00 4.32 C ATOM 901 CD2 LEU A 57 17.442 -17.449 -10.553 1.00 64.42 C ATOM 0 H LEU A 57 13.779 -18.354 -12.989 1.00 24.42 H new ATOM 0 HA LEU A 57 16.628 -19.091 -13.015 1.00 5.43 H new ATOM 0 HB2 LEU A 57 14.496 -19.091 -10.851 1.00 25.21 H new ATOM 0 HB3 LEU A 57 16.143 -19.637 -10.611 1.00 25.21 H new ATOM 0 HG LEU A 57 15.706 -16.861 -11.643 1.00 2.34 H new ATOM 0 HD11 LEU A 57 15.484 -16.020 -9.337 1.00 4.32 H new ATOM 0 HD12 LEU A 57 14.105 -17.045 -9.803 1.00 4.32 H new ATOM 0 HD13 LEU A 57 15.378 -17.694 -8.743 1.00 4.32 H new ATOM 0 HD21 LEU A 57 17.721 -16.428 -10.291 1.00 64.42 H new ATOM 0 HD22 LEU A 57 17.703 -18.118 -9.733 1.00 64.42 H new ATOM 0 HD23 LEU A 57 17.977 -17.752 -11.453 1.00 64.42 H new ATOM 913 N PRO A 58 16.408 -21.607 -12.743 1.00 13.20 N ATOM 914 CA PRO A 58 16.307 -23.061 -12.896 1.00 60.21 C ATOM 915 C PRO A 58 15.566 -23.716 -11.736 1.00 32.42 C ATOM 916 O PRO A 58 14.770 -24.633 -11.934 1.00 32.35 O ATOM 917 CB PRO A 58 17.768 -23.517 -12.923 1.00 21.01 C ATOM 918 CG PRO A 58 18.509 -22.458 -12.181 1.00 72.52 C ATOM 919 CD PRO A 58 17.787 -21.171 -12.466 1.00 52.33 C ATOM 0 HA PRO A 58 15.743 -23.339 -13.786 1.00 60.21 H new ATOM 0 HB2 PRO A 58 17.888 -24.491 -12.448 1.00 21.01 H new ATOM 0 HB3 PRO A 58 18.134 -23.614 -13.945 1.00 21.01 H new ATOM 0 HG2 PRO A 58 18.524 -22.669 -11.112 1.00 72.52 H new ATOM 0 HG3 PRO A 58 19.547 -22.404 -12.510 1.00 72.52 H new ATOM 0 HD2 PRO A 58 17.830 -20.490 -11.616 1.00 52.33 H new ATOM 0 HD3 PRO A 58 18.221 -20.647 -13.317 1.00 52.33 H new ATOM 927 N GLY A 59 15.833 -23.239 -10.524 1.00 14.12 N ATOM 928 CA GLY A 59 15.182 -23.790 -9.350 1.00 20.25 C ATOM 929 C GLY A 59 13.675 -23.859 -9.500 1.00 43.00 C ATOM 930 O GLY A 59 13.112 -23.295 -10.438 1.00 60.43 O ATOM 0 H GLY A 59 16.488 -22.481 -10.334 1.00 14.12 H new ATOM 0 HA2 GLY A 59 15.571 -24.790 -9.159 1.00 20.25 H new ATOM 0 HA3 GLY A 59 15.430 -23.180 -8.481 1.00 20.25 H new ATOM 934 N SER A 60 13.021 -24.553 -8.574 1.00 53.05 N ATOM 935 CA SER A 60 11.570 -24.698 -8.611 1.00 62.25 C ATOM 936 C SER A 60 11.067 -25.445 -7.380 1.00 25.40 C ATOM 937 O SER A 60 11.464 -26.581 -7.124 1.00 63.53 O ATOM 938 CB SER A 60 11.143 -25.438 -9.881 1.00 12.04 C ATOM 939 OG SER A 60 11.181 -26.842 -9.690 1.00 43.32 O ATOM 0 H SER A 60 13.472 -25.023 -7.789 1.00 53.05 H new ATOM 0 HA SER A 60 11.130 -23.701 -8.614 1.00 62.25 H new ATOM 0 HB2 SER A 60 10.135 -25.133 -10.162 1.00 12.04 H new ATOM 0 HB3 SER A 60 11.801 -25.162 -10.705 1.00 12.04 H new ATOM 0 HG SER A 60 11.656 -27.046 -8.857 1.00 43.32 H new ATOM 945 N GLY A 61 10.190 -24.797 -6.619 1.00 62.43 N ATOM 946 CA GLY A 61 9.647 -25.414 -5.423 1.00 70.54 C ATOM 947 C GLY A 61 10.708 -25.674 -4.372 1.00 75.10 C ATOM 948 O GLY A 61 11.351 -26.724 -4.375 1.00 21.34 O ATOM 0 H GLY A 61 9.846 -23.856 -6.810 1.00 62.43 H new ATOM 0 HA2 GLY A 61 8.875 -24.769 -5.004 1.00 70.54 H new ATOM 0 HA3 GLY A 61 9.166 -26.355 -5.690 1.00 70.54 H new ATOM 952 N LEU A 62 10.892 -24.715 -3.471 1.00 63.42 N ATOM 953 CA LEU A 62 11.884 -24.844 -2.409 1.00 61.32 C ATOM 954 C LEU A 62 13.292 -24.946 -2.988 1.00 53.31 C ATOM 955 O LEU A 62 14.229 -25.346 -2.300 1.00 65.41 O ATOM 956 CB LEU A 62 11.584 -26.074 -1.550 1.00 52.04 C ATOM 957 CG LEU A 62 10.913 -25.804 -0.203 1.00 24.11 C ATOM 958 CD1 LEU A 62 9.712 -26.716 -0.012 1.00 73.52 C ATOM 959 CD2 LEU A 62 11.909 -25.985 0.934 1.00 73.42 C ATOM 0 H LEU A 62 10.368 -23.840 -3.455 1.00 63.42 H new ATOM 0 HA LEU A 62 11.831 -23.951 -1.786 1.00 61.32 H new ATOM 0 HB2 LEU A 62 10.945 -26.746 -2.123 1.00 52.04 H new ATOM 0 HB3 LEU A 62 12.520 -26.602 -1.368 1.00 52.04 H new ATOM 0 HG LEU A 62 10.564 -24.772 -0.193 1.00 24.11 H new ATOM 0 HD11 LEU A 62 9.248 -26.509 0.952 1.00 73.52 H new ATOM 0 HD12 LEU A 62 8.989 -26.538 -0.808 1.00 73.52 H new ATOM 0 HD13 LEU A 62 10.036 -27.756 -0.043 1.00 73.52 H new ATOM 0 HD21 LEU A 62 11.415 -25.789 1.885 1.00 73.42 H new ATOM 0 HD22 LEU A 62 12.289 -27.007 0.926 1.00 73.42 H new ATOM 0 HD23 LEU A 62 12.738 -25.289 0.806 1.00 73.42 H new ATOM 971 N GLY A 63 13.432 -24.577 -4.258 1.00 71.40 N ATOM 972 CA GLY A 63 14.729 -24.632 -4.907 1.00 75.25 C ATOM 973 C GLY A 63 15.232 -23.261 -5.313 1.00 24.31 C ATOM 974 O GLY A 63 16.436 -23.002 -5.286 1.00 74.04 O ATOM 0 H GLY A 63 12.671 -24.241 -4.848 1.00 71.40 H new ATOM 0 HA2 GLY A 63 15.450 -25.095 -4.233 1.00 75.25 H new ATOM 0 HA3 GLY A 63 14.664 -25.268 -5.790 1.00 75.25 H new ATOM 978 N ARG A 64 14.311 -22.382 -5.691 1.00 15.32 N ATOM 979 CA ARG A 64 14.668 -21.031 -6.107 1.00 4.15 C ATOM 980 C ARG A 64 14.946 -20.145 -4.896 1.00 11.04 C ATOM 981 O ARG A 64 15.399 -19.009 -5.036 1.00 53.45 O ATOM 982 CB ARG A 64 13.549 -20.421 -6.952 1.00 73.21 C ATOM 983 CG ARG A 64 13.797 -20.513 -8.449 1.00 32.42 C ATOM 984 CD ARG A 64 12.570 -20.094 -9.244 1.00 2.44 C ATOM 985 NE ARG A 64 11.477 -21.053 -9.111 1.00 22.11 N ATOM 986 CZ ARG A 64 10.497 -21.178 -9.999 1.00 23.31 C ATOM 987 NH1 ARG A 64 10.474 -20.409 -11.079 1.00 23.04 N ATOM 988 NH2 ARG A 64 9.538 -22.075 -9.808 1.00 51.11 N ATOM 0 H ARG A 64 13.311 -22.581 -5.718 1.00 15.32 H new ATOM 0 HA ARG A 64 15.575 -21.091 -6.708 1.00 4.15 H new ATOM 0 HB2 ARG A 64 12.611 -20.924 -6.716 1.00 73.21 H new ATOM 0 HB3 ARG A 64 13.427 -19.374 -6.676 1.00 73.21 H new ATOM 0 HG2 ARG A 64 14.641 -19.878 -8.719 1.00 32.42 H new ATOM 0 HG3 ARG A 64 14.070 -21.535 -8.711 1.00 32.42 H new ATOM 0 HD2 ARG A 64 12.235 -19.114 -8.904 1.00 2.44 H new ATOM 0 HD3 ARG A 64 12.837 -19.993 -10.296 1.00 2.44 H new ATOM 0 HE ARG A 64 11.465 -21.660 -8.291 1.00 22.11 H new ATOM 0 HH11 ARG A 64 11.210 -19.719 -11.230 1.00 23.04 H new ATOM 0 HH12 ARG A 64 9.720 -20.507 -11.759 1.00 23.04 H new ATOM 0 HH21 ARG A 64 9.553 -22.669 -8.979 1.00 51.11 H new ATOM 0 HH22 ARG A 64 8.786 -22.170 -10.490 1.00 51.11 H new ATOM 1002 N ILE A 65 14.671 -20.673 -3.708 1.00 12.45 N ATOM 1003 CA ILE A 65 14.891 -19.930 -2.473 1.00 4.12 C ATOM 1004 C ILE A 65 16.380 -19.752 -2.197 1.00 45.42 C ATOM 1005 O ILE A 65 16.792 -18.779 -1.565 1.00 61.33 O ATOM 1006 CB ILE A 65 14.238 -20.634 -1.268 1.00 45.54 C ATOM 1007 CG1 ILE A 65 12.788 -20.999 -1.589 1.00 34.15 C ATOM 1008 CG2 ILE A 65 14.307 -19.745 -0.035 1.00 71.32 C ATOM 1009 CD1 ILE A 65 11.880 -20.985 -0.379 1.00 11.14 C ATOM 0 H ILE A 65 14.296 -21.612 -3.574 1.00 12.45 H new ATOM 0 HA ILE A 65 14.429 -18.952 -2.607 1.00 4.12 H new ATOM 0 HB ILE A 65 14.786 -21.553 -1.060 1.00 45.54 H new ATOM 0 HG12 ILE A 65 12.402 -20.301 -2.331 1.00 34.15 H new ATOM 0 HG13 ILE A 65 12.763 -21.991 -2.041 1.00 34.15 H new ATOM 0 HG21 ILE A 65 13.842 -20.256 0.808 1.00 71.32 H new ATOM 0 HG22 ILE A 65 15.349 -19.530 0.201 1.00 71.32 H new ATOM 0 HG23 ILE A 65 13.779 -18.811 -0.230 1.00 71.32 H new ATOM 0 HD11 ILE A 65 10.868 -21.253 -0.681 1.00 11.14 H new ATOM 0 HD12 ILE A 65 12.242 -21.704 0.356 1.00 11.14 H new ATOM 0 HD13 ILE A 65 11.875 -19.988 0.061 1.00 11.14 H new ATOM 1021 N GLU A 66 17.183 -20.696 -2.677 1.00 61.34 N ATOM 1022 CA GLU A 66 18.627 -20.642 -2.483 1.00 62.21 C ATOM 1023 C GLU A 66 19.302 -19.888 -3.625 1.00 50.03 C ATOM 1024 O GLU A 66 20.373 -19.308 -3.453 1.00 23.42 O ATOM 1025 CB GLU A 66 19.204 -22.056 -2.380 1.00 54.21 C ATOM 1026 CG GLU A 66 19.231 -22.800 -3.705 1.00 32.15 C ATOM 1027 CD GLU A 66 18.952 -24.282 -3.547 1.00 33.24 C ATOM 1028 OE1 GLU A 66 18.111 -24.639 -2.695 1.00 22.53 O ATOM 1029 OE2 GLU A 66 19.573 -25.084 -4.274 1.00 64.30 O ATOM 0 H GLU A 66 16.858 -21.507 -3.203 1.00 61.34 H new ATOM 0 HA GLU A 66 18.822 -20.109 -1.553 1.00 62.21 H new ATOM 0 HB2 GLU A 66 20.218 -21.998 -1.985 1.00 54.21 H new ATOM 0 HB3 GLU A 66 18.615 -22.628 -1.663 1.00 54.21 H new ATOM 0 HG2 GLU A 66 18.492 -22.364 -4.377 1.00 32.15 H new ATOM 0 HG3 GLU A 66 20.206 -22.665 -4.173 1.00 32.15 H new ATOM 1036 N ASN A 67 18.666 -19.901 -4.792 1.00 62.34 N ATOM 1037 CA ASN A 67 19.205 -19.220 -5.964 1.00 12.10 C ATOM 1038 C ASN A 67 18.753 -17.763 -6.002 1.00 31.23 C ATOM 1039 O ASN A 67 19.575 -16.849 -6.046 1.00 40.32 O ATOM 1040 CB ASN A 67 18.765 -19.935 -7.243 1.00 20.41 C ATOM 1041 CG ASN A 67 19.942 -20.398 -8.080 1.00 53.04 C ATOM 1042 OD1 ASN A 67 20.396 -21.536 -7.958 1.00 55.23 O ATOM 1043 ND2 ASN A 67 20.442 -19.515 -8.937 1.00 14.21 N ATOM 0 H ASN A 67 17.777 -20.375 -4.951 1.00 62.34 H new ATOM 0 HA ASN A 67 20.293 -19.244 -5.898 1.00 12.10 H new ATOM 0 HB2 ASN A 67 18.148 -20.795 -6.982 1.00 20.41 H new ATOM 0 HB3 ASN A 67 18.143 -19.264 -7.835 1.00 20.41 H new ATOM 0 HD21 ASN A 67 21.234 -19.769 -9.527 1.00 14.21 H new ATOM 0 HD22 ASN A 67 20.034 -18.583 -9.005 1.00 14.21 H new ATOM 1050 N ALA A 68 17.440 -17.556 -5.983 1.00 63.01 N ATOM 1051 CA ALA A 68 16.879 -16.211 -6.012 1.00 73.24 C ATOM 1052 C ALA A 68 17.402 -15.372 -4.852 1.00 23.23 C ATOM 1053 O ALA A 68 18.020 -14.328 -5.058 1.00 12.14 O ATOM 1054 CB ALA A 68 15.359 -16.273 -5.978 1.00 32.11 C ATOM 0 H ALA A 68 16.746 -18.302 -5.948 1.00 63.01 H new ATOM 0 HA ALA A 68 17.192 -15.734 -6.941 1.00 73.24 H new ATOM 0 HB1 ALA A 68 14.953 -15.262 -6.000 1.00 32.11 H new ATOM 0 HB2 ALA A 68 14.998 -16.828 -6.844 1.00 32.11 H new ATOM 0 HB3 ALA A 68 15.036 -16.774 -5.066 1.00 32.11 H new ATOM 1060 N MET A 69 17.151 -15.836 -3.632 1.00 12.22 N ATOM 1061 CA MET A 69 17.598 -15.127 -2.438 1.00 70.22 C ATOM 1062 C MET A 69 19.084 -14.796 -2.528 1.00 2.34 C ATOM 1063 O MET A 69 19.484 -13.645 -2.358 1.00 11.34 O ATOM 1064 CB MET A 69 17.325 -15.967 -1.189 1.00 10.55 C ATOM 1065 CG MET A 69 17.675 -15.256 0.109 1.00 71.20 C ATOM 1066 SD MET A 69 17.567 -16.341 1.545 1.00 3.34 S ATOM 1067 CE MET A 69 15.918 -17.009 1.342 1.00 21.20 C ATOM 0 H MET A 69 16.641 -16.699 -3.444 1.00 12.22 H new ATOM 0 HA MET A 69 17.039 -14.194 -2.368 1.00 70.22 H new ATOM 0 HB2 MET A 69 16.271 -16.243 -1.170 1.00 10.55 H new ATOM 0 HB3 MET A 69 17.896 -16.893 -1.252 1.00 10.55 H new ATOM 0 HG2 MET A 69 18.685 -14.854 0.037 1.00 71.20 H new ATOM 0 HG3 MET A 69 17.004 -14.409 0.247 1.00 71.20 H new ATOM 0 HE1 MET A 69 15.696 -17.687 2.166 1.00 21.20 H new ATOM 0 HE2 MET A 69 15.194 -16.195 1.337 1.00 21.20 H new ATOM 0 HE3 MET A 69 15.859 -17.553 0.399 1.00 21.20 H new ATOM 1077 N ASN A 70 19.898 -15.812 -2.795 1.00 73.11 N ATOM 1078 CA ASN A 70 21.340 -15.628 -2.906 1.00 42.20 C ATOM 1079 C ASN A 70 21.676 -14.597 -3.979 1.00 51.14 C ATOM 1080 O ASN A 70 22.746 -13.990 -3.957 1.00 50.20 O ATOM 1081 CB ASN A 70 22.022 -16.959 -3.230 1.00 52.32 C ATOM 1082 CG ASN A 70 23.524 -16.818 -3.379 1.00 5.45 C ATOM 1083 OD1 ASN A 70 24.090 -17.144 -4.422 1.00 72.32 O ATOM 1084 ND2 ASN A 70 24.179 -16.329 -2.331 1.00 51.14 N ATOM 0 H ASN A 70 19.583 -16.772 -2.939 1.00 73.11 H new ATOM 0 HA ASN A 70 21.709 -15.262 -1.948 1.00 42.20 H new ATOM 0 HB2 ASN A 70 21.804 -17.678 -2.440 1.00 52.32 H new ATOM 0 HB3 ASN A 70 21.605 -17.363 -4.152 1.00 52.32 H new ATOM 0 HD21 ASN A 70 25.191 -16.211 -2.372 1.00 51.14 H new ATOM 0 HD22 ASN A 70 23.669 -16.072 -1.486 1.00 51.14 H new ATOM 1091 N GLU A 71 20.753 -14.405 -4.917 1.00 64.12 N ATOM 1092 CA GLU A 71 20.952 -13.448 -5.999 1.00 4.20 C ATOM 1093 C GLU A 71 20.576 -12.038 -5.553 1.00 44.55 C ATOM 1094 O GLU A 71 21.357 -11.098 -5.709 1.00 15.41 O ATOM 1095 CB GLU A 71 20.123 -13.846 -7.222 1.00 21.44 C ATOM 1096 CG GLU A 71 20.955 -14.393 -8.369 1.00 61.24 C ATOM 1097 CD GLU A 71 21.149 -13.382 -9.483 1.00 75.30 C ATOM 1098 OE1 GLU A 71 20.177 -12.673 -9.816 1.00 52.42 O ATOM 1099 OE2 GLU A 71 22.273 -13.301 -10.021 1.00 73.21 O ATOM 0 H GLU A 71 19.861 -14.899 -4.949 1.00 64.12 H new ATOM 0 HA GLU A 71 22.008 -13.457 -6.268 1.00 4.20 H new ATOM 0 HB2 GLU A 71 19.391 -14.597 -6.925 1.00 21.44 H new ATOM 0 HB3 GLU A 71 19.565 -12.977 -7.571 1.00 21.44 H new ATOM 0 HG2 GLU A 71 21.929 -14.703 -7.991 1.00 61.24 H new ATOM 0 HG3 GLU A 71 20.472 -15.283 -8.771 1.00 61.24 H new ATOM 1106 N ILE A 72 19.376 -11.899 -5.000 1.00 5.40 N ATOM 1107 CA ILE A 72 18.897 -10.604 -4.532 1.00 20.23 C ATOM 1108 C ILE A 72 19.683 -10.136 -3.312 1.00 14.45 C ATOM 1109 O ILE A 72 19.699 -8.948 -2.990 1.00 12.44 O ATOM 1110 CB ILE A 72 17.399 -10.654 -4.176 1.00 44.41 C ATOM 1111 CG1 ILE A 72 16.583 -11.133 -5.378 1.00 50.11 C ATOM 1112 CG2 ILE A 72 16.919 -9.286 -3.714 1.00 42.23 C ATOM 1113 CD1 ILE A 72 16.779 -10.288 -6.617 1.00 53.42 C ATOM 0 H ILE A 72 18.718 -12.667 -4.865 1.00 5.40 H new ATOM 0 HA ILE A 72 19.045 -9.898 -5.349 1.00 20.23 H new ATOM 0 HB ILE A 72 17.258 -11.362 -3.359 1.00 44.41 H new ATOM 0 HG12 ILE A 72 16.856 -12.164 -5.604 1.00 50.11 H new ATOM 0 HG13 ILE A 72 15.526 -11.134 -5.112 1.00 50.11 H new ATOM 0 HG21 ILE A 72 15.859 -9.337 -3.466 1.00 42.23 H new ATOM 0 HG22 ILE A 72 17.483 -8.981 -2.833 1.00 42.23 H new ATOM 0 HG23 ILE A 72 17.070 -8.559 -4.512 1.00 42.23 H new ATOM 0 HD11 ILE A 72 16.170 -10.686 -7.429 1.00 53.42 H new ATOM 0 HD12 ILE A 72 16.479 -9.261 -6.408 1.00 53.42 H new ATOM 0 HD13 ILE A 72 17.829 -10.307 -6.908 1.00 53.42 H new ATOM 1125 N SER A 73 20.334 -11.077 -2.637 1.00 25.21 N ATOM 1126 CA SER A 73 21.121 -10.761 -1.450 1.00 63.54 C ATOM 1127 C SER A 73 22.545 -10.366 -1.832 1.00 15.12 C ATOM 1128 O SER A 73 23.390 -10.138 -0.967 1.00 21.15 O ATOM 1129 CB SER A 73 21.150 -11.959 -0.498 1.00 44.34 C ATOM 1130 OG SER A 73 21.432 -11.548 0.828 1.00 33.55 O ATOM 0 H SER A 73 20.332 -12.065 -2.891 1.00 25.21 H new ATOM 0 HA SER A 73 20.651 -9.917 -0.946 1.00 63.54 H new ATOM 0 HB2 SER A 73 20.190 -12.474 -0.526 1.00 44.34 H new ATOM 0 HB3 SER A 73 21.904 -12.673 -0.829 1.00 44.34 H new ATOM 0 HG SER A 73 22.194 -10.932 0.824 1.00 33.55 H new ATOM 1136 N ARG A 74 22.801 -10.286 -3.133 1.00 61.44 N ATOM 1137 CA ARG A 74 24.122 -9.920 -3.631 1.00 14.33 C ATOM 1138 C ARG A 74 24.490 -8.503 -3.201 1.00 4.22 C ATOM 1139 O ARG A 74 25.642 -8.225 -2.865 1.00 71.24 O ATOM 1140 CB ARG A 74 24.164 -10.029 -5.156 1.00 51.41 C ATOM 1141 CG ARG A 74 24.309 -11.455 -5.661 1.00 50.21 C ATOM 1142 CD ARG A 74 25.743 -11.946 -5.538 1.00 71.12 C ATOM 1143 NE ARG A 74 26.611 -11.362 -6.558 1.00 33.44 N ATOM 1144 CZ ARG A 74 27.922 -11.569 -6.613 1.00 13.14 C ATOM 1145 NH1 ARG A 74 28.513 -12.341 -5.711 1.00 71.25 N ATOM 1146 NH2 ARG A 74 28.644 -11.003 -7.571 1.00 1.32 N ATOM 0 H ARG A 74 22.111 -10.470 -3.862 1.00 61.44 H new ATOM 0 HA ARG A 74 24.849 -10.612 -3.205 1.00 14.33 H new ATOM 0 HB2 ARG A 74 23.252 -9.598 -5.568 1.00 51.41 H new ATOM 0 HB3 ARG A 74 24.996 -9.433 -5.532 1.00 51.41 H new ATOM 0 HG2 ARG A 74 23.649 -12.112 -5.095 1.00 50.21 H new ATOM 0 HG3 ARG A 74 23.993 -11.507 -6.703 1.00 50.21 H new ATOM 0 HD2 ARG A 74 26.128 -11.697 -4.549 1.00 71.12 H new ATOM 0 HD3 ARG A 74 25.763 -13.032 -5.624 1.00 71.12 H new ATOM 0 HE ARG A 74 26.187 -10.763 -7.266 1.00 33.44 H new ATOM 0 HH11 ARG A 74 27.961 -12.777 -4.973 1.00 71.25 H new ATOM 0 HH12 ARG A 74 29.520 -12.498 -5.755 1.00 71.25 H new ATOM 0 HH21 ARG A 74 28.193 -10.408 -8.266 1.00 1.32 H new ATOM 0 HH22 ARG A 74 29.651 -11.162 -7.613 1.00 1.32 H new ATOM 1160 N ARG A 75 23.505 -7.611 -3.214 1.00 44.31 N ATOM 1161 CA ARG A 75 23.727 -6.223 -2.827 1.00 54.55 C ATOM 1162 C ARG A 75 24.806 -5.582 -3.696 1.00 14.25 C ATOM 1163 O ARG A 75 25.575 -4.743 -3.227 1.00 70.52 O ATOM 1164 CB ARG A 75 24.127 -6.139 -1.353 1.00 54.03 C ATOM 1165 CG ARG A 75 22.978 -6.404 -0.394 1.00 74.44 C ATOM 1166 CD ARG A 75 23.181 -5.688 0.931 1.00 2.51 C ATOM 1167 NE ARG A 75 24.232 -6.308 1.733 1.00 45.30 N ATOM 1168 CZ ARG A 75 24.640 -5.833 2.905 1.00 52.23 C ATOM 1169 NH1 ARG A 75 24.087 -4.738 3.409 1.00 74.33 N ATOM 1170 NH2 ARG A 75 25.602 -6.453 3.575 1.00 21.32 N ATOM 0 H ARG A 75 22.546 -7.825 -3.488 1.00 44.31 H new ATOM 0 HA ARG A 75 22.795 -5.678 -2.974 1.00 54.55 H new ATOM 0 HB2 ARG A 75 24.923 -6.858 -1.160 1.00 54.03 H new ATOM 0 HB3 ARG A 75 24.536 -5.149 -1.152 1.00 54.03 H new ATOM 0 HG2 ARG A 75 22.042 -6.076 -0.846 1.00 74.44 H new ATOM 0 HG3 ARG A 75 22.889 -7.476 -0.219 1.00 74.44 H new ATOM 0 HD2 ARG A 75 23.436 -4.645 0.744 1.00 2.51 H new ATOM 0 HD3 ARG A 75 22.247 -5.692 1.492 1.00 2.51 H new ATOM 0 HE ARG A 75 24.678 -7.152 1.374 1.00 45.30 H new ATOM 0 HH11 ARG A 75 23.347 -4.258 2.897 1.00 74.33 H new ATOM 0 HH12 ARG A 75 24.402 -4.375 4.309 1.00 74.33 H new ATOM 0 HH21 ARG A 75 26.030 -7.296 3.191 1.00 21.32 H new ATOM 0 HH22 ARG A 75 25.914 -6.087 4.475 1.00 21.32 H new ATOM 1184 N GLU A 76 24.855 -5.983 -4.962 1.00 22.42 N ATOM 1185 CA GLU A 76 25.841 -5.449 -5.894 1.00 11.10 C ATOM 1186 C GLU A 76 25.311 -4.198 -6.589 1.00 14.15 C ATOM 1187 O GLU A 76 24.536 -4.285 -7.540 1.00 51.22 O ATOM 1188 CB GLU A 76 26.215 -6.505 -6.937 1.00 14.35 C ATOM 1189 CG GLU A 76 27.573 -6.274 -7.576 1.00 64.13 C ATOM 1190 CD GLU A 76 28.721 -6.652 -6.660 1.00 62.24 C ATOM 1191 OE1 GLU A 76 28.659 -7.741 -6.051 1.00 43.31 O ATOM 1192 OE2 GLU A 76 29.681 -5.860 -6.553 1.00 34.44 O ATOM 0 H GLU A 76 24.224 -6.675 -5.366 1.00 22.42 H new ATOM 0 HA GLU A 76 26.731 -5.179 -5.326 1.00 11.10 H new ATOM 0 HB2 GLU A 76 26.207 -7.488 -6.466 1.00 14.35 H new ATOM 0 HB3 GLU A 76 25.454 -6.519 -7.717 1.00 14.35 H new ATOM 0 HG2 GLU A 76 27.641 -6.855 -8.496 1.00 64.13 H new ATOM 0 HG3 GLU A 76 27.666 -5.224 -7.854 1.00 64.13 H new ATOM 1199 N ASN A 77 25.734 -3.035 -6.104 1.00 40.11 N ATOM 1200 CA ASN A 77 25.301 -1.765 -6.677 1.00 24.31 C ATOM 1201 C ASN A 77 26.461 -1.059 -7.372 1.00 42.03 C ATOM 1202 O ASN A 77 27.633 -1.338 -7.118 1.00 60.31 O ATOM 1203 CB ASN A 77 24.719 -0.863 -5.587 1.00 42.55 C ATOM 1204 CG ASN A 77 25.409 -1.052 -4.250 1.00 75.01 C ATOM 1205 OD1 ASN A 77 26.628 -0.922 -4.144 1.00 21.02 O ATOM 1206 ND2 ASN A 77 24.628 -1.361 -3.221 1.00 62.40 N ATOM 0 H ASN A 77 26.376 -2.945 -5.316 1.00 40.11 H new ATOM 0 HA ASN A 77 24.529 -1.973 -7.418 1.00 24.31 H new ATOM 0 HB2 ASN A 77 24.809 0.179 -5.895 1.00 42.55 H new ATOM 0 HB3 ASN A 77 23.655 -1.072 -5.476 1.00 42.55 H new ATOM 0 HD21 ASN A 77 25.035 -1.501 -2.296 1.00 62.40 H new ATOM 0 HD22 ASN A 77 23.622 -1.459 -3.356 1.00 62.40 H new ATOM 1213 N PRO A 78 26.129 -0.121 -8.271 1.00 50.34 N ATOM 1214 CA PRO A 78 27.128 0.646 -9.021 1.00 42.23 C ATOM 1215 C PRO A 78 27.892 1.625 -8.136 1.00 14.30 C ATOM 1216 O PRO A 78 28.931 2.154 -8.531 1.00 20.52 O ATOM 1217 CB PRO A 78 26.292 1.402 -10.057 1.00 34.14 C ATOM 1218 CG PRO A 78 24.939 1.512 -9.443 1.00 75.11 C ATOM 1219 CD PRO A 78 24.752 0.264 -8.625 1.00 2.23 C ATOM 0 HA PRO A 78 27.892 0.002 -9.457 1.00 42.23 H new ATOM 0 HB2 PRO A 78 26.714 2.385 -10.265 1.00 34.14 H new ATOM 0 HB3 PRO A 78 26.255 0.864 -11.004 1.00 34.14 H new ATOM 0 HG2 PRO A 78 24.865 2.402 -8.819 1.00 75.11 H new ATOM 0 HG3 PRO A 78 24.168 1.595 -10.209 1.00 75.11 H new ATOM 0 HD2 PRO A 78 24.147 0.452 -7.738 1.00 2.23 H new ATOM 0 HD3 PRO A 78 24.250 -0.518 -9.194 1.00 2.23 H new TER 1227 PRO A 78