USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 742 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 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -2.45! C(o=-3.5!,f=-2.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -160:sc= -0.193 USER MOD Single : A 26 SER OG : rot -32:sc= 0.225 USER MOD Single : A 31 HIS :FLIP no HE2:sc= -4.61 F(o=-7.8!,f=-4.6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -2.72! C(o=-5.8!,f=-2.7!) USER MOD Single : A 38 MET CE :methyl 135:sc= -5.97! (180deg=-9.79!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 47 SER OG : rot 28:sc= 1.08 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= -0.043 (180deg=-0.733) USER MOD Single : A 55 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.098) USER MOD Single : A 64 ASN : amide:sc= -4.1! C(o=-4.1!,f=-7.2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 165:sc= -0.903 USER MOD Single : A 77 THR OG1 : rot 180:sc=0.000995 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.541 USER MOD Single : A 88 GLN : amide:sc= -2.19 K(o=-2.2,f=-4.1!) USER MOD Single : A 90 ASN : amide:sc= -0.0205 X(o=-0.02,f=0) USER MOD Single : A 94 THR OG1 : rot 170:sc= -0.151 USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 3 6.281 -1.287 -3.662 1.00 32.52 N ATOM 38 CA ALA A 3 7.054 -1.252 -4.897 1.00 74.22 C ATOM 39 C ALA A 3 6.181 -0.841 -6.079 1.00 24.53 C ATOM 40 O ALA A 3 5.030 -1.258 -6.206 1.00 32.04 O ATOM 41 CB ALA A 3 7.694 -2.607 -5.158 1.00 25.33 C ATOM 0 HA ALA A 3 7.841 -0.507 -4.783 1.00 74.22 H new ATOM 0 HB1 ALA A 3 8.268 -2.566 -6.084 1.00 25.33 H new ATOM 0 HB2 ALA A 3 8.357 -2.862 -4.331 1.00 25.33 H new ATOM 0 HB3 ALA A 3 6.916 -3.366 -5.247 1.00 25.33 H new ATOM 47 N PRO A 4 6.740 -0.004 -6.965 1.00 23.10 N ATOM 48 CA PRO A 4 6.030 0.481 -8.152 1.00 44.41 C ATOM 49 C PRO A 4 5.807 -0.619 -9.184 1.00 43.43 C ATOM 50 O PRO A 4 6.419 -1.685 -9.132 1.00 64.52 O ATOM 51 CB PRO A 4 6.966 1.557 -8.710 1.00 62.41 C ATOM 52 CG PRO A 4 8.320 1.171 -8.222 1.00 12.12 C ATOM 53 CD PRO A 4 8.109 0.533 -6.877 1.00 34.22 C ATOM 0 HA PRO A 4 5.033 0.848 -7.909 1.00 44.41 H new ATOM 0 HB2 PRO A 4 6.931 1.586 -9.799 1.00 62.41 H new ATOM 0 HB3 PRO A 4 6.685 2.549 -8.355 1.00 62.41 H new ATOM 0 HG2 PRO A 4 8.800 0.477 -8.912 1.00 12.12 H new ATOM 0 HG3 PRO A 4 8.969 2.043 -8.143 1.00 12.12 H new ATOM 0 HD2 PRO A 4 8.838 -0.255 -6.687 1.00 34.22 H new ATOM 0 HD3 PRO A 4 8.205 1.258 -6.069 1.00 34.22 H new ATOM 61 N PRO A 5 4.910 -0.355 -10.146 1.00 64.33 N ATOM 62 CA PRO A 5 4.587 -1.311 -11.210 1.00 11.11 C ATOM 63 C PRO A 5 5.736 -1.493 -12.195 1.00 44.42 C ATOM 64 O PRO A 5 6.348 -0.520 -12.636 1.00 72.03 O ATOM 65 CB PRO A 5 3.382 -0.673 -11.906 1.00 0.33 C ATOM 66 CG PRO A 5 3.515 0.786 -11.632 1.00 20.42 C ATOM 67 CD PRO A 5 4.143 0.896 -10.270 1.00 64.41 C ATOM 0 HA PRO A 5 4.391 -2.308 -10.816 1.00 11.11 H new ATOM 0 HB2 PRO A 5 3.389 -0.877 -12.977 1.00 0.33 H new ATOM 0 HB3 PRO A 5 2.444 -1.066 -11.513 1.00 0.33 H new ATOM 0 HG2 PRO A 5 4.134 1.270 -12.387 1.00 20.42 H new ATOM 0 HG3 PRO A 5 2.542 1.277 -11.654 1.00 20.42 H new ATOM 0 HD2 PRO A 5 4.788 1.772 -10.194 1.00 64.41 H new ATOM 0 HD3 PRO A 5 3.390 0.985 -9.487 1.00 64.41 H new ATOM 75 N ALA A 6 6.025 -2.744 -12.537 1.00 33.23 N ATOM 76 CA ALA A 6 7.099 -3.053 -13.472 1.00 2.30 C ATOM 77 C ALA A 6 6.646 -2.854 -14.914 1.00 75.12 C ATOM 78 O ALA A 6 5.553 -3.275 -15.297 1.00 24.43 O ATOM 79 CB ALA A 6 7.589 -4.478 -13.262 1.00 53.01 C ATOM 0 H ALA A 6 5.529 -3.561 -12.180 1.00 33.23 H new ATOM 0 HA ALA A 6 7.923 -2.366 -13.280 1.00 2.30 H new ATOM 0 HB1 ALA A 6 8.391 -4.695 -13.967 1.00 53.01 H new ATOM 0 HB2 ALA A 6 7.962 -4.588 -12.244 1.00 53.01 H new ATOM 0 HB3 ALA A 6 6.766 -5.174 -13.424 1.00 53.01 H new ATOM 85 N THR A 7 7.491 -2.209 -15.712 1.00 53.32 N ATOM 86 CA THR A 7 7.176 -1.952 -17.112 1.00 32.51 C ATOM 87 C THR A 7 7.744 -3.044 -18.012 1.00 0.30 C ATOM 88 O THR A 7 8.771 -2.852 -18.664 1.00 64.51 O ATOM 89 CB THR A 7 7.724 -0.588 -17.570 1.00 54.33 C ATOM 90 OG1 THR A 7 7.308 0.437 -16.661 1.00 52.52 O ATOM 91 CG2 THR A 7 7.241 -0.254 -18.974 1.00 33.52 C ATOM 0 H THR A 7 8.399 -1.855 -15.412 1.00 53.32 H new ATOM 0 HA THR A 7 6.089 -1.944 -17.196 1.00 32.51 H new ATOM 0 HB THR A 7 8.813 -0.644 -17.581 1.00 54.33 H new ATOM 0 HG1 THR A 7 7.662 1.301 -16.958 1.00 52.52 H new ATOM 0 HG21 THR A 7 7.641 0.714 -19.276 1.00 33.52 H new ATOM 0 HG22 THR A 7 7.584 -1.021 -19.669 1.00 33.52 H new ATOM 0 HG23 THR A 7 6.152 -0.216 -18.985 1.00 33.52 H new ATOM 99 N LEU A 8 7.070 -4.188 -18.044 1.00 51.12 N ATOM 100 CA LEU A 8 7.508 -5.311 -18.866 1.00 53.11 C ATOM 101 C LEU A 8 6.973 -5.185 -20.289 1.00 45.13 C ATOM 102 O LEU A 8 5.772 -5.307 -20.524 1.00 13.42 O ATOM 103 CB LEU A 8 7.043 -6.631 -18.250 1.00 34.34 C ATOM 104 CG LEU A 8 7.278 -6.790 -16.747 1.00 63.52 C ATOM 105 CD1 LEU A 8 6.061 -6.324 -15.964 1.00 23.04 C ATOM 106 CD2 LEU A 8 7.610 -8.237 -16.410 1.00 1.23 C ATOM 0 H LEU A 8 6.218 -4.363 -17.511 1.00 51.12 H new ATOM 0 HA LEU A 8 8.597 -5.299 -18.904 1.00 53.11 H new ATOM 0 HB2 LEU A 8 5.976 -6.744 -18.445 1.00 34.34 H new ATOM 0 HB3 LEU A 8 7.549 -7.447 -18.765 1.00 34.34 H new ATOM 0 HG LEU A 8 8.127 -6.167 -16.463 1.00 63.52 H new ATOM 0 HD11 LEU A 8 6.247 -6.445 -14.897 1.00 23.04 H new ATOM 0 HD12 LEU A 8 5.868 -5.274 -16.182 1.00 23.04 H new ATOM 0 HD13 LEU A 8 5.194 -6.919 -16.251 1.00 23.04 H new ATOM 0 HD21 LEU A 8 7.774 -8.332 -15.337 1.00 1.23 H new ATOM 0 HD22 LEU A 8 6.782 -8.879 -16.709 1.00 1.23 H new ATOM 0 HD23 LEU A 8 8.512 -8.537 -16.943 1.00 1.23 H new ATOM 118 N GLU A 9 7.876 -4.942 -21.235 1.00 75.52 N ATOM 119 CA GLU A 9 7.494 -4.802 -22.636 1.00 10.24 C ATOM 120 C GLU A 9 7.401 -6.166 -23.314 1.00 13.43 C ATOM 121 O GLU A 9 7.179 -7.183 -22.658 1.00 3.13 O ATOM 122 CB GLU A 9 8.502 -3.920 -23.376 1.00 13.23 C ATOM 123 CG GLU A 9 8.896 -2.669 -22.607 1.00 73.55 C ATOM 124 CD GLU A 9 8.281 -1.410 -23.188 1.00 20.55 C ATOM 125 OE1 GLU A 9 7.084 -1.443 -23.542 1.00 43.04 O ATOM 126 OE2 GLU A 9 8.998 -0.392 -23.286 1.00 74.31 O ATOM 0 H GLU A 9 8.875 -4.838 -21.057 1.00 75.52 H new ATOM 0 HA GLU A 9 6.512 -4.330 -22.673 1.00 10.24 H new ATOM 0 HB2 GLU A 9 9.398 -4.504 -23.586 1.00 13.23 H new ATOM 0 HB3 GLU A 9 8.079 -3.627 -24.337 1.00 13.23 H new ATOM 0 HG2 GLU A 9 8.587 -2.774 -21.567 1.00 73.55 H new ATOM 0 HG3 GLU A 9 9.982 -2.573 -22.608 1.00 73.55 H new ATOM 133 N ALA A 10 7.571 -6.177 -24.632 1.00 33.32 N ATOM 134 CA ALA A 10 7.507 -7.415 -25.399 1.00 44.12 C ATOM 135 C ALA A 10 8.516 -7.404 -26.543 1.00 22.04 C ATOM 136 O ALA A 10 8.164 -7.134 -27.691 1.00 53.31 O ATOM 137 CB ALA A 10 6.100 -7.631 -25.936 1.00 63.43 C ATOM 0 H ALA A 10 7.754 -5.343 -25.190 1.00 33.32 H new ATOM 0 HA ALA A 10 7.760 -8.240 -24.733 1.00 44.12 H new ATOM 0 HB1 ALA A 10 6.067 -8.559 -26.507 1.00 63.43 H new ATOM 0 HB2 ALA A 10 5.398 -7.691 -25.104 1.00 63.43 H new ATOM 0 HB3 ALA A 10 5.825 -6.798 -26.583 1.00 63.43 H new ATOM 143 N ILE A 11 9.771 -7.699 -26.221 1.00 3.31 N ATOM 144 CA ILE A 11 10.830 -7.723 -27.222 1.00 44.10 C ATOM 145 C ILE A 11 10.655 -8.897 -28.179 1.00 42.24 C ATOM 146 O ILE A 11 9.800 -9.758 -27.973 1.00 31.45 O ATOM 147 CB ILE A 11 12.222 -7.812 -26.568 1.00 33.14 C ATOM 148 CG1 ILE A 11 12.337 -6.802 -25.424 1.00 42.23 C ATOM 149 CG2 ILE A 11 13.310 -7.575 -27.603 1.00 45.24 C ATOM 150 CD1 ILE A 11 12.811 -5.436 -25.870 1.00 61.22 C ATOM 0 H ILE A 11 10.079 -7.925 -25.275 1.00 3.31 H new ATOM 0 HA ILE A 11 10.758 -6.789 -27.779 1.00 44.10 H new ATOM 0 HB ILE A 11 12.351 -8.814 -26.158 1.00 33.14 H new ATOM 0 HG12 ILE A 11 11.365 -6.701 -24.940 1.00 42.23 H new ATOM 0 HG13 ILE A 11 13.027 -7.191 -24.675 1.00 42.23 H new ATOM 0 HG21 ILE A 11 14.287 -7.641 -27.125 1.00 45.24 H new ATOM 0 HG22 ILE A 11 13.237 -8.329 -28.387 1.00 45.24 H new ATOM 0 HG23 ILE A 11 13.186 -6.584 -28.041 1.00 45.24 H new ATOM 0 HD11 ILE A 11 12.869 -4.772 -25.008 1.00 61.22 H new ATOM 0 HD12 ILE A 11 13.797 -5.524 -26.327 1.00 61.22 H new ATOM 0 HD13 ILE A 11 12.109 -5.027 -26.597 1.00 61.22 H new ATOM 162 N HIS A 12 11.472 -8.926 -29.228 1.00 2.34 N ATOM 163 CA HIS A 12 11.409 -9.996 -30.217 1.00 5.14 C ATOM 164 C HIS A 12 11.527 -11.362 -29.547 1.00 54.11 C ATOM 165 O HIS A 12 11.786 -11.473 -28.349 1.00 13.44 O ATOM 166 CB HIS A 12 12.520 -9.826 -31.254 1.00 21.33 C ATOM 167 CG HIS A 12 12.018 -9.443 -32.612 1.00 30.32 C ATOM 168 ND1 HIS A 12 10.796 -9.585 -33.176 1.00 4.51 N flip ATOM 169 CD2 HIS A 12 12.810 -8.838 -33.564 1.00 51.12 C flip ATOM 170 CE1 HIS A 12 10.871 -9.066 -34.445 1.00 30.35 C flip ATOM 171 NE2 HIS A 12 12.097 -8.621 -34.655 1.00 60.25 N flip ATOM 0 H HIS A 12 12.185 -8.221 -29.415 1.00 2.34 H new ATOM 0 HA HIS A 12 10.443 -9.939 -30.718 1.00 5.14 H new ATOM 0 HB2 HIS A 12 13.218 -9.064 -30.905 1.00 21.33 H new ATOM 0 HB3 HIS A 12 13.079 -10.759 -31.332 1.00 21.33 H new ATOM 0 HD2 HIS A 12 13.851 -8.581 -33.438 1.00 51.12 H new ATOM 0 HE1 HIS A 12 10.059 -9.028 -35.156 1.00 30.35 H new ATOM 0 HE2 HIS A 12 12.435 -8.185 -35.513 1.00 60.25 H new ATOM 179 N PRO A 13 11.331 -12.428 -30.338 1.00 12.34 N ATOM 180 CA PRO A 13 11.409 -13.805 -29.843 1.00 22.33 C ATOM 181 C PRO A 13 12.834 -14.212 -29.482 1.00 41.43 C ATOM 182 O PRO A 13 13.151 -15.399 -29.401 1.00 51.43 O ATOM 183 CB PRO A 13 10.899 -14.636 -31.023 1.00 12.30 C ATOM 184 CG PRO A 13 11.173 -13.797 -32.223 1.00 65.12 C ATOM 185 CD PRO A 13 11.018 -12.370 -31.775 1.00 44.05 C ATOM 0 HA PRO A 13 10.834 -13.942 -28.927 1.00 22.33 H new ATOM 0 HB2 PRO A 13 11.414 -15.595 -31.084 1.00 12.30 H new ATOM 0 HB3 PRO A 13 9.835 -14.851 -30.925 1.00 12.30 H new ATOM 0 HG2 PRO A 13 12.177 -13.979 -32.605 1.00 65.12 H new ATOM 0 HG3 PRO A 13 10.478 -14.031 -33.029 1.00 65.12 H new ATOM 0 HD2 PRO A 13 11.698 -11.705 -32.308 1.00 44.05 H new ATOM 0 HD3 PRO A 13 10.008 -12.001 -31.952 1.00 44.05 H new ATOM 193 N LYS A 14 13.691 -13.219 -29.266 1.00 34.00 N ATOM 194 CA LYS A 14 15.082 -13.472 -28.912 1.00 62.11 C ATOM 195 C LYS A 14 15.449 -12.769 -27.609 1.00 33.21 C ATOM 196 O LYS A 14 16.622 -12.518 -27.336 1.00 52.05 O ATOM 197 CB LYS A 14 16.009 -13.002 -30.035 1.00 62.35 C ATOM 198 CG LYS A 14 16.180 -11.494 -30.092 1.00 64.21 C ATOM 199 CD LYS A 14 17.313 -11.096 -31.023 1.00 25.10 C ATOM 200 CE LYS A 14 16.795 -10.359 -32.249 1.00 22.45 C ATOM 201 NZ LYS A 14 16.763 -11.237 -33.451 1.00 34.41 N ATOM 0 H LYS A 14 13.446 -12.231 -29.330 1.00 34.00 H new ATOM 0 HA LYS A 14 15.205 -14.546 -28.772 1.00 62.11 H new ATOM 0 HB2 LYS A 14 16.987 -13.465 -29.905 1.00 62.35 H new ATOM 0 HB3 LYS A 14 15.615 -13.351 -30.990 1.00 62.35 H new ATOM 0 HG2 LYS A 14 15.251 -11.034 -30.430 1.00 64.21 H new ATOM 0 HG3 LYS A 14 16.379 -11.111 -29.091 1.00 64.21 H new ATOM 0 HD2 LYS A 14 18.019 -10.462 -30.488 1.00 25.10 H new ATOM 0 HD3 LYS A 14 17.858 -11.987 -31.336 1.00 25.10 H new ATOM 0 HE2 LYS A 14 15.793 -9.981 -32.049 1.00 22.45 H new ATOM 0 HE3 LYS A 14 17.428 -9.494 -32.448 1.00 22.45 H new ATOM 0 HZ1 LYS A 14 16.404 -10.698 -34.265 1.00 34.41 H new ATOM 0 HZ2 LYS A 14 17.724 -11.578 -33.658 1.00 34.41 H new ATOM 0 HZ3 LYS A 14 16.139 -12.049 -33.271 1.00 34.41 H new ATOM 215 N GLY A 15 14.436 -12.455 -26.806 1.00 24.32 N ATOM 216 CA GLY A 15 14.674 -11.786 -25.540 1.00 54.24 C ATOM 217 C GLY A 15 13.483 -10.964 -25.087 1.00 61.11 C ATOM 218 O GLY A 15 12.441 -10.953 -25.744 1.00 11.24 O ATOM 0 H GLY A 15 13.456 -12.652 -27.010 1.00 24.32 H new ATOM 0 HA2 GLY A 15 14.910 -12.529 -24.778 1.00 54.24 H new ATOM 0 HA3 GLY A 15 15.545 -11.138 -25.633 1.00 54.24 H new ATOM 222 N LEU A 16 13.636 -10.276 -23.961 1.00 52.33 N ATOM 223 CA LEU A 16 12.564 -9.448 -23.419 1.00 73.13 C ATOM 224 C LEU A 16 13.130 -8.256 -22.655 1.00 53.40 C ATOM 225 O LEU A 16 14.299 -8.250 -22.271 1.00 23.53 O ATOM 226 CB LEU A 16 11.667 -10.279 -22.500 1.00 12.43 C ATOM 227 CG LEU A 16 10.433 -9.567 -21.944 1.00 11.13 C ATOM 228 CD1 LEU A 16 9.586 -9.004 -23.075 1.00 22.41 C ATOM 229 CD2 LEU A 16 9.613 -10.516 -21.082 1.00 53.12 C ATOM 0 H LEU A 16 14.492 -10.275 -23.406 1.00 52.33 H new ATOM 0 HA LEU A 16 11.971 -9.072 -24.253 1.00 73.13 H new ATOM 0 HB2 LEU A 16 11.337 -11.161 -23.048 1.00 12.43 H new ATOM 0 HB3 LEU A 16 12.267 -10.632 -21.661 1.00 12.43 H new ATOM 0 HG LEU A 16 10.766 -8.738 -21.320 1.00 11.13 H new ATOM 0 HD11 LEU A 16 8.713 -8.501 -22.660 1.00 22.41 H new ATOM 0 HD12 LEU A 16 10.176 -8.291 -23.651 1.00 22.41 H new ATOM 0 HD13 LEU A 16 9.262 -9.816 -23.726 1.00 22.41 H new ATOM 0 HD21 LEU A 16 8.739 -9.992 -20.695 1.00 53.12 H new ATOM 0 HD22 LEU A 16 9.290 -11.366 -21.683 1.00 53.12 H new ATOM 0 HD23 LEU A 16 10.222 -10.870 -20.250 1.00 53.12 H new ATOM 241 N ARG A 17 12.292 -7.248 -22.436 1.00 54.44 N ATOM 242 CA ARG A 17 12.708 -6.050 -21.717 1.00 2.11 C ATOM 243 C ARG A 17 11.814 -5.805 -20.505 1.00 23.53 C ATOM 244 O ARG A 17 10.595 -5.963 -20.577 1.00 4.40 O ATOM 245 CB ARG A 17 12.672 -4.834 -22.644 1.00 41.31 C ATOM 246 CG ARG A 17 13.223 -3.567 -22.009 1.00 62.44 C ATOM 247 CD ARG A 17 13.602 -2.537 -23.061 1.00 45.42 C ATOM 248 NE ARG A 17 13.715 -1.195 -22.497 1.00 4.55 N ATOM 249 CZ ARG A 17 13.632 -0.083 -23.220 1.00 31.52 C ATOM 250 NH1 ARG A 17 13.435 -0.154 -24.529 1.00 63.11 N ATOM 251 NH2 ARG A 17 13.745 1.101 -22.633 1.00 54.44 N ATOM 0 H ARG A 17 11.320 -7.237 -22.746 1.00 54.44 H new ATOM 0 HA ARG A 17 13.730 -6.203 -21.369 1.00 2.11 H new ATOM 0 HB2 ARG A 17 13.244 -5.057 -23.545 1.00 41.31 H new ATOM 0 HB3 ARG A 17 11.643 -4.656 -22.956 1.00 41.31 H new ATOM 0 HG2 ARG A 17 12.479 -3.143 -21.335 1.00 62.44 H new ATOM 0 HG3 ARG A 17 14.097 -3.811 -21.406 1.00 62.44 H new ATOM 0 HD2 ARG A 17 14.550 -2.819 -23.519 1.00 45.42 H new ATOM 0 HD3 ARG A 17 12.853 -2.535 -23.853 1.00 45.42 H new ATOM 0 HE ARG A 17 13.866 -1.106 -21.492 1.00 4.55 H new ATOM 0 HH11 ARG A 17 13.347 -1.063 -24.983 1.00 63.11 H new ATOM 0 HH12 ARG A 17 13.372 0.701 -25.082 1.00 63.11 H new ATOM 0 HH21 ARG A 17 13.896 1.159 -21.626 1.00 54.44 H new ATOM 0 HH22 ARG A 17 13.681 1.954 -23.189 1.00 54.44 H new ATOM 265 N VAL A 18 12.429 -5.420 -19.391 1.00 31.44 N ATOM 266 CA VAL A 18 11.689 -5.154 -18.163 1.00 5.43 C ATOM 267 C VAL A 18 12.370 -4.068 -17.336 1.00 70.22 C ATOM 268 O VAL A 18 13.443 -4.283 -16.773 1.00 63.44 O ATOM 269 CB VAL A 18 11.549 -6.425 -17.304 1.00 43.15 C ATOM 270 CG1 VAL A 18 11.122 -6.069 -15.889 1.00 33.13 C ATOM 271 CG2 VAL A 18 10.562 -7.391 -17.942 1.00 21.15 C ATOM 0 H VAL A 18 13.437 -5.285 -19.314 1.00 31.44 H new ATOM 0 HA VAL A 18 10.697 -4.814 -18.459 1.00 5.43 H new ATOM 0 HB VAL A 18 12.520 -6.916 -17.250 1.00 43.15 H new ATOM 0 HG11 VAL A 18 11.028 -6.980 -15.297 1.00 33.13 H new ATOM 0 HG12 VAL A 18 11.869 -5.417 -15.436 1.00 33.13 H new ATOM 0 HG13 VAL A 18 10.162 -5.554 -15.917 1.00 33.13 H new ATOM 0 HG21 VAL A 18 10.475 -8.284 -17.323 1.00 21.15 H new ATOM 0 HG22 VAL A 18 9.587 -6.911 -18.027 1.00 21.15 H new ATOM 0 HG23 VAL A 18 10.916 -7.671 -18.934 1.00 21.15 H new ATOM 281 N SER A 19 11.738 -2.901 -17.267 1.00 51.12 N ATOM 282 CA SER A 19 12.284 -1.779 -16.512 1.00 31.51 C ATOM 283 C SER A 19 11.289 -1.297 -15.461 1.00 10.33 C ATOM 284 O SER A 19 10.082 -1.503 -15.590 1.00 42.14 O ATOM 285 CB SER A 19 12.645 -0.630 -17.454 1.00 42.15 C ATOM 286 OG SER A 19 12.808 0.583 -16.740 1.00 54.34 O ATOM 0 H SER A 19 10.847 -2.708 -17.725 1.00 51.12 H new ATOM 0 HA SER A 19 13.186 -2.119 -16.004 1.00 31.51 H new ATOM 0 HB2 SER A 19 13.565 -0.868 -17.987 1.00 42.15 H new ATOM 0 HB3 SER A 19 11.863 -0.512 -18.204 1.00 42.15 H new ATOM 0 HG SER A 19 12.722 1.340 -17.357 1.00 54.34 H new ATOM 292 N VAL A 20 11.805 -0.653 -14.419 1.00 13.44 N ATOM 293 CA VAL A 20 10.963 -0.139 -13.345 1.00 1.24 C ATOM 294 C VAL A 20 11.464 1.215 -12.854 1.00 13.10 C ATOM 295 O VAL A 20 12.652 1.528 -12.924 1.00 43.03 O ATOM 296 CB VAL A 20 10.912 -1.116 -12.155 1.00 75.44 C ATOM 297 CG1 VAL A 20 10.402 -2.477 -12.605 1.00 21.44 C ATOM 298 CG2 VAL A 20 12.282 -1.238 -11.507 1.00 21.43 C ATOM 0 H VAL A 20 12.802 -0.475 -14.296 1.00 13.44 H new ATOM 0 HA VAL A 20 9.960 -0.026 -13.756 1.00 1.24 H new ATOM 0 HB VAL A 20 10.219 -0.722 -11.412 1.00 75.44 H new ATOM 0 HG11 VAL A 20 10.372 -3.155 -11.752 1.00 21.44 H new ATOM 0 HG12 VAL A 20 9.399 -2.371 -13.019 1.00 21.44 H new ATOM 0 HG13 VAL A 20 11.068 -2.882 -13.367 1.00 21.44 H new ATOM 0 HG21 VAL A 20 12.227 -1.932 -10.668 1.00 21.43 H new ATOM 0 HG22 VAL A 20 12.999 -1.609 -12.239 1.00 21.43 H new ATOM 0 HG23 VAL A 20 12.603 -0.260 -11.148 1.00 21.43 H new ATOM 308 N PRO A 21 10.537 2.039 -12.344 1.00 15.31 N ATOM 309 CA PRO A 21 10.860 3.374 -11.830 1.00 60.51 C ATOM 310 C PRO A 21 11.663 3.317 -10.535 1.00 64.02 C ATOM 311 O PRO A 21 11.257 2.671 -9.569 1.00 51.11 O ATOM 312 CB PRO A 21 9.486 4.000 -11.580 1.00 0.10 C ATOM 313 CG PRO A 21 8.576 2.841 -11.361 1.00 14.53 C ATOM 314 CD PRO A 21 9.101 1.732 -12.229 1.00 20.21 C ATOM 0 HA PRO A 21 11.481 3.939 -12.525 1.00 60.51 H new ATOM 0 HB2 PRO A 21 9.503 4.659 -10.712 1.00 0.10 H new ATOM 0 HB3 PRO A 21 9.164 4.601 -12.430 1.00 0.10 H new ATOM 0 HG2 PRO A 21 8.567 2.545 -10.312 1.00 14.53 H new ATOM 0 HG3 PRO A 21 7.550 3.094 -11.629 1.00 14.53 H new ATOM 0 HD2 PRO A 21 8.934 0.754 -11.777 1.00 20.21 H new ATOM 0 HD3 PRO A 21 8.613 1.720 -13.204 1.00 20.21 H new ATOM 322 N ASP A 22 12.804 3.997 -10.522 1.00 44.03 N ATOM 323 CA ASP A 22 13.664 4.025 -9.345 1.00 3.42 C ATOM 324 C ASP A 22 13.414 5.283 -8.519 1.00 15.21 C ATOM 325 O ASP A 22 14.097 6.293 -8.686 1.00 21.44 O ATOM 326 CB ASP A 22 15.135 3.957 -9.759 1.00 40.23 C ATOM 327 CG ASP A 22 16.070 3.890 -8.568 1.00 32.14 C ATOM 328 OD1 ASP A 22 15.651 3.368 -7.513 1.00 71.32 O ATOM 329 OD2 ASP A 22 17.221 4.359 -8.690 1.00 34.33 O ATOM 0 H ASP A 22 13.155 4.536 -11.313 1.00 44.03 H new ATOM 0 HA ASP A 22 13.426 3.156 -8.732 1.00 3.42 H new ATOM 0 HB2 ASP A 22 15.292 3.082 -10.390 1.00 40.23 H new ATOM 0 HB3 ASP A 22 15.381 4.832 -10.361 1.00 40.23 H new ATOM 334 N GLU A 23 12.428 5.214 -7.629 1.00 42.22 N ATOM 335 CA GLU A 23 12.087 6.349 -6.779 1.00 74.32 C ATOM 336 C GLU A 23 13.185 6.609 -5.752 1.00 52.22 C ATOM 337 O GLU A 23 13.288 7.705 -5.202 1.00 65.15 O ATOM 338 CB GLU A 23 10.756 6.098 -6.067 1.00 11.14 C ATOM 339 CG GLU A 23 9.845 7.313 -6.034 1.00 14.50 C ATOM 340 CD GLU A 23 8.408 6.975 -6.383 1.00 42.32 C ATOM 341 OE1 GLU A 23 7.854 6.038 -5.773 1.00 73.51 O ATOM 342 OE2 GLU A 23 7.839 7.649 -7.267 1.00 52.31 O ATOM 0 H GLU A 23 11.852 4.385 -7.478 1.00 42.22 H new ATOM 0 HA GLU A 23 11.992 7.230 -7.413 1.00 74.32 H new ATOM 0 HB2 GLU A 23 10.237 5.278 -6.564 1.00 11.14 H new ATOM 0 HB3 GLU A 23 10.955 5.776 -5.045 1.00 11.14 H new ATOM 0 HG2 GLU A 23 9.878 7.760 -5.041 1.00 14.50 H new ATOM 0 HG3 GLU A 23 10.218 8.061 -6.733 1.00 14.50 H new ATOM 349 N GLY A 24 14.003 5.592 -5.498 1.00 51.22 N ATOM 350 CA GLY A 24 15.082 5.730 -4.538 1.00 0.33 C ATOM 351 C GLY A 24 15.595 4.392 -4.045 1.00 73.52 C ATOM 352 O GLY A 24 16.049 4.273 -2.907 1.00 13.11 O ATOM 0 H GLY A 24 13.937 4.675 -5.940 1.00 51.22 H new ATOM 0 HA2 GLY A 24 15.902 6.284 -4.995 1.00 0.33 H new ATOM 0 HA3 GLY A 24 14.735 6.318 -3.688 1.00 0.33 H new ATOM 356 N PHE A 25 15.521 3.379 -4.903 1.00 50.52 N ATOM 357 CA PHE A 25 15.979 2.041 -4.548 1.00 51.31 C ATOM 358 C PHE A 25 17.493 1.926 -4.702 1.00 74.32 C ATOM 359 O PHE A 25 18.136 2.797 -5.287 1.00 61.24 O ATOM 360 CB PHE A 25 15.285 0.993 -5.421 1.00 13.44 C ATOM 361 CG PHE A 25 13.787 1.018 -5.310 1.00 10.03 C ATOM 362 CD1 PHE A 25 13.031 1.826 -6.143 1.00 75.23 C ATOM 363 CD2 PHE A 25 13.136 0.234 -4.371 1.00 73.44 C ATOM 364 CE1 PHE A 25 11.652 1.851 -6.044 1.00 61.41 C ATOM 365 CE2 PHE A 25 11.758 0.254 -4.268 1.00 34.11 C ATOM 366 CZ PHE A 25 11.015 1.064 -5.104 1.00 50.24 C ATOM 0 H PHE A 25 15.148 3.460 -5.849 1.00 50.52 H new ATOM 0 HA PHE A 25 15.723 1.861 -3.504 1.00 51.31 H new ATOM 0 HB2 PHE A 25 15.567 1.154 -6.462 1.00 13.44 H new ATOM 0 HB3 PHE A 25 15.646 0.003 -5.142 1.00 13.44 H new ATOM 0 HD1 PHE A 25 13.524 2.444 -6.879 1.00 75.23 H new ATOM 0 HD2 PHE A 25 13.712 -0.400 -3.713 1.00 73.44 H new ATOM 0 HE1 PHE A 25 11.074 2.485 -6.700 1.00 61.41 H new ATOM 0 HE2 PHE A 25 11.262 -0.364 -3.534 1.00 34.11 H new ATOM 0 HZ PHE A 25 9.938 1.082 -5.023 1.00 50.24 H new ATOM 376 N SER A 26 18.055 0.844 -4.172 1.00 55.11 N ATOM 377 CA SER A 26 19.493 0.616 -4.246 1.00 72.42 C ATOM 378 C SER A 26 19.795 -0.763 -4.825 1.00 73.24 C ATOM 379 O SER A 26 20.941 -1.076 -5.149 1.00 23.32 O ATOM 380 CB SER A 26 20.124 0.748 -2.859 1.00 33.33 C ATOM 381 OG SER A 26 21.515 0.485 -2.904 1.00 64.31 O ATOM 0 H SER A 26 17.536 0.112 -3.687 1.00 55.11 H new ATOM 0 HA SER A 26 19.922 1.370 -4.906 1.00 72.42 H new ATOM 0 HB2 SER A 26 19.953 1.753 -2.473 1.00 33.33 H new ATOM 0 HB3 SER A 26 19.642 0.055 -2.169 1.00 33.33 H new ATOM 0 HG SER A 26 21.700 -0.181 -3.599 1.00 64.31 H new ATOM 387 N LEU A 27 18.758 -1.584 -4.953 1.00 40.14 N ATOM 388 CA LEU A 27 18.910 -2.930 -5.494 1.00 23.43 C ATOM 389 C LEU A 27 17.624 -3.395 -6.168 1.00 75.30 C ATOM 390 O LEU A 27 16.524 -3.122 -5.686 1.00 50.02 O ATOM 391 CB LEU A 27 19.298 -3.906 -4.382 1.00 22.53 C ATOM 392 CG LEU A 27 18.865 -5.359 -4.582 1.00 70.14 C ATOM 393 CD1 LEU A 27 17.357 -5.491 -4.438 1.00 72.11 C ATOM 394 CD2 LEU A 27 19.319 -5.868 -5.943 1.00 10.03 C ATOM 0 H LEU A 27 17.803 -1.341 -4.689 1.00 40.14 H new ATOM 0 HA LEU A 27 19.702 -2.907 -6.242 1.00 23.43 H new ATOM 0 HB2 LEU A 27 20.382 -3.883 -4.268 1.00 22.53 H new ATOM 0 HB3 LEU A 27 18.872 -3.547 -3.446 1.00 22.53 H new ATOM 0 HG LEU A 27 19.338 -5.968 -3.812 1.00 70.14 H new ATOM 0 HD11 LEU A 27 17.067 -6.532 -4.584 1.00 72.11 H new ATOM 0 HD12 LEU A 27 17.057 -5.167 -3.442 1.00 72.11 H new ATOM 0 HD13 LEU A 27 16.864 -4.869 -5.186 1.00 72.11 H new ATOM 0 HD21 LEU A 27 19.002 -6.903 -6.068 1.00 10.03 H new ATOM 0 HD22 LEU A 27 18.875 -5.255 -6.727 1.00 10.03 H new ATOM 0 HD23 LEU A 27 20.405 -5.810 -6.009 1.00 10.03 H new ATOM 406 N PHE A 28 17.768 -4.101 -7.285 1.00 24.14 N ATOM 407 CA PHE A 28 16.618 -4.606 -8.025 1.00 12.31 C ATOM 408 C PHE A 28 16.856 -6.039 -8.490 1.00 21.33 C ATOM 409 O PHE A 28 17.961 -6.395 -8.898 1.00 60.04 O ATOM 410 CB PHE A 28 16.327 -3.709 -9.230 1.00 15.32 C ATOM 411 CG PHE A 28 15.153 -4.166 -10.048 1.00 13.03 C ATOM 412 CD1 PHE A 28 13.995 -4.615 -9.432 1.00 44.23 C ATOM 413 CD2 PHE A 28 15.207 -4.147 -11.432 1.00 70.51 C ATOM 414 CE1 PHE A 28 12.913 -5.036 -10.182 1.00 62.11 C ATOM 415 CE2 PHE A 28 14.128 -4.567 -12.187 1.00 70.00 C ATOM 416 CZ PHE A 28 12.980 -5.013 -11.561 1.00 42.03 C ATOM 0 H PHE A 28 18.671 -4.336 -7.697 1.00 24.14 H new ATOM 0 HA PHE A 28 15.756 -4.598 -7.357 1.00 12.31 H new ATOM 0 HB2 PHE A 28 16.143 -2.693 -8.881 1.00 15.32 H new ATOM 0 HB3 PHE A 28 17.211 -3.672 -9.867 1.00 15.32 H new ATOM 0 HD1 PHE A 28 13.938 -4.636 -8.354 1.00 44.23 H new ATOM 0 HD2 PHE A 28 16.102 -3.800 -11.927 1.00 70.51 H new ATOM 0 HE1 PHE A 28 12.016 -5.383 -9.690 1.00 62.11 H new ATOM 0 HE2 PHE A 28 14.182 -4.547 -13.265 1.00 70.00 H new ATOM 0 HZ PHE A 28 12.136 -5.343 -12.149 1.00 42.03 H new ATOM 426 N ALA A 29 15.811 -6.858 -8.423 1.00 43.02 N ATOM 427 CA ALA A 29 15.906 -8.252 -8.838 1.00 74.11 C ATOM 428 C ALA A 29 14.719 -8.647 -9.711 1.00 0.41 C ATOM 429 O ALA A 29 13.599 -8.181 -9.501 1.00 11.42 O ATOM 430 CB ALA A 29 15.993 -9.160 -7.621 1.00 33.45 C ATOM 0 H ALA A 29 14.890 -6.580 -8.085 1.00 43.02 H new ATOM 0 HA ALA A 29 16.814 -8.368 -9.430 1.00 74.11 H new ATOM 0 HB1 ALA A 29 16.063 -10.198 -7.946 1.00 33.45 H new ATOM 0 HB2 ALA A 29 16.876 -8.902 -7.037 1.00 33.45 H new ATOM 0 HB3 ALA A 29 15.102 -9.032 -7.007 1.00 33.45 H new ATOM 436 N PHE A 30 14.972 -9.507 -10.691 1.00 71.24 N ATOM 437 CA PHE A 30 13.924 -9.963 -11.598 1.00 23.14 C ATOM 438 C PHE A 30 13.936 -11.484 -11.721 1.00 50.14 C ATOM 439 O PHE A 30 14.849 -12.063 -12.311 1.00 72.12 O ATOM 440 CB PHE A 30 14.102 -9.326 -12.978 1.00 33.44 C ATOM 441 CG PHE A 30 13.076 -9.773 -13.980 1.00 10.30 C ATOM 442 CD1 PHE A 30 11.904 -10.385 -13.566 1.00 62.41 C ATOM 443 CD2 PHE A 30 13.284 -9.580 -15.336 1.00 50.03 C ATOM 444 CE1 PHE A 30 10.958 -10.797 -14.486 1.00 1.01 C ATOM 445 CE2 PHE A 30 12.341 -9.989 -16.261 1.00 24.04 C ATOM 446 CZ PHE A 30 11.178 -10.599 -15.835 1.00 73.40 C ATOM 0 H PHE A 30 15.893 -9.903 -10.878 1.00 71.24 H new ATOM 0 HA PHE A 30 12.962 -9.657 -11.186 1.00 23.14 H new ATOM 0 HB2 PHE A 30 14.053 -8.242 -12.878 1.00 33.44 H new ATOM 0 HB3 PHE A 30 15.096 -9.567 -13.355 1.00 33.44 H new ATOM 0 HD1 PHE A 30 11.727 -10.542 -12.512 1.00 62.41 H new ATOM 0 HD2 PHE A 30 14.193 -9.105 -15.674 1.00 50.03 H new ATOM 0 HE1 PHE A 30 10.048 -11.273 -14.150 1.00 1.01 H new ATOM 0 HE2 PHE A 30 12.514 -9.831 -17.315 1.00 24.04 H new ATOM 0 HZ PHE A 30 10.441 -10.921 -16.556 1.00 73.40 H new ATOM 456 N HIS A 31 12.916 -12.125 -11.160 1.00 73.24 N ATOM 457 CA HIS A 31 12.808 -13.579 -11.207 1.00 73.14 C ATOM 458 C HIS A 31 11.383 -14.007 -11.548 1.00 65.33 C ATOM 459 O HIS A 31 10.535 -14.134 -10.667 1.00 30.14 O ATOM 460 CB HIS A 31 13.229 -14.186 -9.869 1.00 33.41 C ATOM 461 CG HIS A 31 14.210 -15.310 -10.003 1.00 43.32 C ATOM 462 ND1 HIS A 31 14.067 -16.555 -10.515 1.00 71.21 N flip ATOM 463 CD2 HIS A 31 15.520 -15.219 -9.581 1.00 15.43 C flip ATOM 464 CE1 HIS A 31 15.280 -17.187 -10.395 1.00 33.21 C flip ATOM 465 NE2 HIS A 31 16.140 -16.359 -9.829 1.00 13.41 N flip ATOM 0 H HIS A 31 12.153 -11.661 -10.668 1.00 73.24 H new ATOM 0 HA HIS A 31 13.475 -13.943 -11.988 1.00 73.14 H new ATOM 0 HB2 HIS A 31 13.666 -13.405 -9.247 1.00 33.41 H new ATOM 0 HB3 HIS A 31 12.342 -14.549 -9.349 1.00 33.41 H new ATOM 0 HD1 HIS A 31 13.216 -16.950 -10.916 1.00 71.21 H new ATOM 0 HD2 HIS A 31 15.969 -14.352 -9.120 1.00 15.43 H new ATOM 0 HE1 HIS A 31 15.496 -18.197 -10.712 1.00 33.21 H new ATOM 473 N GLY A 32 11.129 -14.228 -12.835 1.00 14.14 N ATOM 474 CA GLY A 32 9.806 -14.638 -13.269 1.00 21.41 C ATOM 475 C GLY A 32 9.854 -15.652 -14.395 1.00 24.33 C ATOM 476 O GLY A 32 10.932 -16.081 -14.809 1.00 54.22 O ATOM 0 H GLY A 32 11.815 -14.130 -13.584 1.00 14.14 H new ATOM 0 HA2 GLY A 32 9.265 -15.064 -12.424 1.00 21.41 H new ATOM 0 HA3 GLY A 32 9.247 -13.762 -13.597 1.00 21.41 H new ATOM 480 N LYS A 33 8.684 -16.039 -14.891 1.00 21.32 N ATOM 481 CA LYS A 33 8.595 -17.010 -15.975 1.00 45.23 C ATOM 482 C LYS A 33 7.664 -16.512 -17.076 1.00 63.12 C ATOM 483 O LYS A 33 7.329 -15.328 -17.132 1.00 4.02 O ATOM 484 CB LYS A 33 8.099 -18.356 -15.443 1.00 64.21 C ATOM 485 CG LYS A 33 8.653 -18.710 -14.074 1.00 32.23 C ATOM 486 CD LYS A 33 7.652 -19.511 -13.258 1.00 13.55 C ATOM 487 CE LYS A 33 7.745 -20.997 -13.564 1.00 75.41 C ATOM 488 NZ LYS A 33 8.813 -21.662 -12.768 1.00 20.21 N ATOM 0 H LYS A 33 7.783 -15.695 -14.559 1.00 21.32 H new ATOM 0 HA LYS A 33 9.592 -17.139 -16.397 1.00 45.23 H new ATOM 0 HB2 LYS A 33 7.010 -18.338 -15.392 1.00 64.21 H new ATOM 0 HB3 LYS A 33 8.372 -19.140 -16.150 1.00 64.21 H new ATOM 0 HG2 LYS A 33 9.572 -19.284 -14.190 1.00 32.23 H new ATOM 0 HG3 LYS A 33 8.913 -17.797 -13.538 1.00 32.23 H new ATOM 0 HD2 LYS A 33 7.832 -19.345 -12.196 1.00 13.55 H new ATOM 0 HD3 LYS A 33 6.643 -19.157 -13.470 1.00 13.55 H new ATOM 0 HE2 LYS A 33 6.787 -21.472 -13.354 1.00 75.41 H new ATOM 0 HE3 LYS A 33 7.944 -21.137 -14.627 1.00 75.41 H new ATOM 0 HZ1 LYS A 33 8.844 -22.674 -13.006 1.00 20.21 H new ATOM 0 HZ2 LYS A 33 9.732 -21.226 -12.987 1.00 20.21 H new ATOM 0 HZ3 LYS A 33 8.610 -21.551 -11.754 1.00 20.21 H new ATOM 502 N LEU A 34 7.248 -17.423 -17.949 1.00 43.33 N ATOM 503 CA LEU A 34 6.354 -17.076 -19.048 1.00 72.34 C ATOM 504 C LEU A 34 5.218 -18.088 -19.166 1.00 23.11 C ATOM 505 O LEU A 34 5.452 -19.295 -19.211 1.00 33.01 O ATOM 506 CB LEU A 34 7.132 -17.011 -20.364 1.00 13.42 C ATOM 507 CG LEU A 34 6.784 -15.846 -21.292 1.00 21.03 C ATOM 508 CD1 LEU A 34 5.406 -16.044 -21.903 1.00 51.04 C ATOM 509 CD2 LEU A 34 6.851 -14.526 -20.538 1.00 55.43 C ATOM 0 H LEU A 34 7.515 -18.407 -17.917 1.00 43.33 H new ATOM 0 HA LEU A 34 5.924 -16.097 -18.838 1.00 72.34 H new ATOM 0 HB2 LEU A 34 8.196 -16.959 -20.132 1.00 13.42 H new ATOM 0 HB3 LEU A 34 6.969 -17.943 -20.906 1.00 13.42 H new ATOM 0 HG LEU A 34 7.516 -15.818 -22.099 1.00 21.03 H new ATOM 0 HD11 LEU A 34 5.175 -15.206 -22.560 1.00 51.04 H new ATOM 0 HD12 LEU A 34 5.393 -16.970 -22.478 1.00 51.04 H new ATOM 0 HD13 LEU A 34 4.661 -16.099 -21.110 1.00 51.04 H new ATOM 0 HD21 LEU A 34 6.601 -13.708 -21.213 1.00 55.43 H new ATOM 0 HD22 LEU A 34 6.142 -14.543 -19.710 1.00 55.43 H new ATOM 0 HD23 LEU A 34 7.859 -14.380 -20.149 1.00 55.43 H new ATOM 521 N ASN A 35 3.989 -17.586 -19.217 1.00 74.41 N ATOM 522 CA ASN A 35 2.816 -18.447 -19.331 1.00 44.44 C ATOM 523 C ASN A 35 2.721 -19.397 -18.142 1.00 24.31 C ATOM 524 O ASN A 35 2.006 -20.397 -18.190 1.00 62.44 O ATOM 525 CB ASN A 35 2.870 -19.246 -20.635 1.00 31.33 C ATOM 526 CG ASN A 35 2.553 -18.395 -21.849 1.00 15.22 C ATOM 527 OD1 ASN A 35 3.589 -17.988 -22.573 1.00 54.10 O flip ATOM 528 ND2 ASN A 35 1.390 -18.107 -22.132 1.00 55.10 N flip ATOM 0 H ASN A 35 3.779 -16.589 -19.181 1.00 74.41 H new ATOM 0 HA ASN A 35 1.929 -17.813 -19.338 1.00 44.44 H new ATOM 0 HB2 ASN A 35 3.862 -19.682 -20.750 1.00 31.33 H new ATOM 0 HB3 ASN A 35 2.163 -20.073 -20.580 1.00 31.33 H new ATOM 0 HD21 ASN A 35 0.625 -18.442 -21.547 1.00 55.10 H new ATOM 0 HD22 ASN A 35 1.192 -17.533 -22.952 1.00 55.10 H new ATOM 535 N GLU A 36 3.447 -19.077 -17.075 1.00 44.34 N ATOM 536 CA GLU A 36 3.445 -19.903 -15.874 1.00 15.22 C ATOM 537 C GLU A 36 3.769 -19.068 -14.639 1.00 2.54 C ATOM 538 O GLU A 36 4.605 -18.166 -14.689 1.00 52.23 O ATOM 539 CB GLU A 36 4.454 -21.045 -16.011 1.00 11.44 C ATOM 540 CG GLU A 36 4.373 -22.066 -14.889 1.00 31.22 C ATOM 541 CD GLU A 36 3.331 -23.137 -15.149 1.00 0.21 C ATOM 542 OE1 GLU A 36 3.061 -23.426 -16.334 1.00 4.13 O ATOM 543 OE2 GLU A 36 2.785 -23.685 -14.169 1.00 24.22 O ATOM 0 H GLU A 36 4.044 -18.252 -17.018 1.00 44.34 H new ATOM 0 HA GLU A 36 2.446 -20.323 -15.755 1.00 15.22 H new ATOM 0 HB2 GLU A 36 4.291 -21.550 -16.963 1.00 11.44 H new ATOM 0 HB3 GLU A 36 5.461 -20.628 -16.039 1.00 11.44 H new ATOM 0 HG2 GLU A 36 5.348 -22.536 -14.760 1.00 31.22 H new ATOM 0 HG3 GLU A 36 4.139 -21.556 -13.955 1.00 31.22 H new ATOM 550 N GLU A 37 3.101 -19.375 -13.531 1.00 62.11 N ATOM 551 CA GLU A 37 3.318 -18.652 -12.284 1.00 13.14 C ATOM 552 C GLU A 37 3.855 -19.583 -11.201 1.00 22.41 C ATOM 553 O GLU A 37 3.628 -20.792 -11.239 1.00 34.24 O ATOM 554 CB GLU A 37 2.015 -18.002 -11.812 1.00 61.21 C ATOM 555 CG GLU A 37 1.017 -18.991 -11.233 1.00 52.51 C ATOM 556 CD GLU A 37 0.119 -18.366 -10.183 1.00 5.54 C ATOM 557 OE1 GLU A 37 -0.162 -17.153 -10.289 1.00 32.41 O ATOM 558 OE2 GLU A 37 -0.301 -19.088 -9.255 1.00 4.44 O ATOM 0 H GLU A 37 2.406 -20.119 -13.472 1.00 62.11 H new ATOM 0 HA GLU A 37 4.058 -17.874 -12.470 1.00 13.14 H new ATOM 0 HB2 GLU A 37 2.246 -17.249 -11.059 1.00 61.21 H new ATOM 0 HB3 GLU A 37 1.553 -17.482 -12.651 1.00 61.21 H new ATOM 0 HG2 GLU A 37 0.402 -19.395 -12.038 1.00 52.51 H new ATOM 0 HG3 GLU A 37 1.556 -19.830 -10.792 1.00 52.51 H new ATOM 565 N MET A 38 4.570 -19.011 -10.238 1.00 31.14 N ATOM 566 CA MET A 38 5.139 -19.790 -9.144 1.00 5.31 C ATOM 567 C MET A 38 4.424 -19.488 -7.831 1.00 52.52 C ATOM 568 O MET A 38 3.511 -18.663 -7.788 1.00 22.34 O ATOM 569 CB MET A 38 6.634 -19.494 -9.003 1.00 71.14 C ATOM 570 CG MET A 38 6.966 -18.011 -9.043 1.00 24.31 C ATOM 571 SD MET A 38 8.742 -17.699 -9.089 1.00 14.44 S ATOM 572 CE MET A 38 8.776 -16.042 -9.770 1.00 22.50 C ATOM 0 H MET A 38 4.769 -18.012 -10.193 1.00 31.14 H new ATOM 0 HA MET A 38 5.004 -20.847 -9.376 1.00 5.31 H new ATOM 0 HB2 MET A 38 6.992 -19.913 -8.063 1.00 71.14 H new ATOM 0 HB3 MET A 38 7.173 -20.001 -9.803 1.00 71.14 H new ATOM 0 HG2 MET A 38 6.499 -17.561 -9.919 1.00 24.31 H new ATOM 0 HG3 MET A 38 6.538 -17.523 -8.168 1.00 24.31 H new ATOM 0 HE1 MET A 38 9.477 -15.430 -9.203 1.00 22.50 H new ATOM 0 HE2 MET A 38 9.091 -16.084 -10.813 1.00 22.50 H new ATOM 0 HE3 MET A 38 7.780 -15.603 -9.709 1.00 22.50 H new ATOM 648 N GLY A 44 11.305 -18.086 -10.306 1.00 53.34 N ATOM 649 CA GLY A 44 10.683 -18.598 -11.514 1.00 3.32 C ATOM 650 C GLY A 44 11.699 -19.095 -12.523 1.00 4.41 C ATOM 651 O GLY A 44 12.404 -20.073 -12.275 1.00 23.44 O ATOM 0 HA2 GLY A 44 10.006 -19.412 -11.254 1.00 3.32 H new ATOM 0 HA3 GLY A 44 10.078 -17.813 -11.968 1.00 3.32 H new ATOM 655 N HIS A 45 11.775 -18.420 -13.666 1.00 33.21 N ATOM 656 CA HIS A 45 12.712 -18.800 -14.717 1.00 53.13 C ATOM 657 C HIS A 45 13.926 -17.876 -14.723 1.00 13.23 C ATOM 658 O HIS A 45 15.026 -18.279 -14.345 1.00 12.44 O ATOM 659 CB HIS A 45 12.022 -18.763 -16.082 1.00 23.45 C ATOM 660 CG HIS A 45 12.059 -20.074 -16.806 1.00 51.43 C ATOM 661 ND1 HIS A 45 11.505 -21.230 -16.299 1.00 52.00 N ATOM 662 CD2 HIS A 45 12.586 -20.406 -18.008 1.00 21.43 C ATOM 663 CE1 HIS A 45 11.691 -22.218 -17.156 1.00 43.32 C ATOM 664 NE2 HIS A 45 12.345 -21.744 -18.202 1.00 33.21 N ATOM 0 H HIS A 45 11.199 -17.608 -13.888 1.00 33.21 H new ATOM 0 HA HIS A 45 13.052 -19.816 -14.517 1.00 53.13 H new ATOM 0 HB2 HIS A 45 10.983 -18.461 -15.947 1.00 23.45 H new ATOM 0 HB3 HIS A 45 12.498 -18.002 -16.700 1.00 23.45 H new ATOM 0 HD2 HIS A 45 13.100 -19.742 -18.688 1.00 21.43 H new ATOM 0 HE1 HIS A 45 11.364 -23.239 -17.024 1.00 43.32 H new ATOM 0 HE2 HIS A 45 12.625 -22.284 -19.021 1.00 33.21 H new ATOM 672 N TRP A 46 13.718 -16.637 -15.154 1.00 70.11 N ATOM 673 CA TRP A 46 14.796 -15.656 -15.209 1.00 62.44 C ATOM 674 C TRP A 46 15.419 -15.454 -13.833 1.00 23.24 C ATOM 675 O TRP A 46 14.777 -15.693 -12.810 1.00 5.54 O ATOM 676 CB TRP A 46 14.274 -14.323 -15.747 1.00 75.20 C ATOM 677 CG TRP A 46 13.734 -14.416 -17.142 1.00 51.12 C ATOM 678 CD1 TRP A 46 14.441 -14.689 -18.278 1.00 43.11 C ATOM 679 CD2 TRP A 46 12.373 -14.234 -17.549 1.00 3.43 C ATOM 680 NE1 TRP A 46 13.602 -14.687 -19.366 1.00 63.23 N ATOM 681 CE2 TRP A 46 12.328 -14.411 -18.945 1.00 63.43 C ATOM 682 CE3 TRP A 46 11.188 -13.940 -16.869 1.00 4.52 C ATOM 683 CZ2 TRP A 46 11.145 -14.303 -19.671 1.00 62.24 C ATOM 684 CZ3 TRP A 46 10.015 -13.832 -17.591 1.00 21.11 C ATOM 685 CH2 TRP A 46 10.000 -14.014 -18.980 1.00 61.32 C ATOM 0 H TRP A 46 12.813 -16.288 -15.470 1.00 70.11 H new ATOM 0 HA TRP A 46 15.564 -16.035 -15.883 1.00 62.44 H new ATOM 0 HB2 TRP A 46 13.490 -13.954 -15.085 1.00 75.20 H new ATOM 0 HB3 TRP A 46 15.080 -13.590 -15.725 1.00 75.20 H new ATOM 0 HD1 TRP A 46 15.504 -14.879 -18.316 1.00 43.11 H new ATOM 0 HE1 TRP A 46 13.882 -14.863 -20.331 1.00 63.23 H new ATOM 0 HE3 TRP A 46 11.189 -13.800 -15.798 1.00 4.52 H new ATOM 0 HZ2 TRP A 46 11.132 -14.442 -20.742 1.00 62.24 H new ATOM 0 HZ3 TRP A 46 9.094 -13.603 -17.076 1.00 21.11 H new ATOM 0 HH2 TRP A 46 9.067 -13.924 -19.516 1.00 61.32 H new ATOM 696 N SER A 47 16.673 -15.013 -13.814 1.00 61.31 N ATOM 697 CA SER A 47 17.384 -14.783 -12.562 1.00 12.41 C ATOM 698 C SER A 47 18.462 -13.718 -12.738 1.00 1.45 C ATOM 699 O SER A 47 19.489 -13.957 -13.374 1.00 15.13 O ATOM 700 CB SER A 47 18.013 -16.084 -12.061 1.00 2.11 C ATOM 701 OG SER A 47 19.057 -16.510 -12.920 1.00 13.51 O ATOM 0 H SER A 47 17.217 -14.808 -14.652 1.00 61.31 H new ATOM 0 HA SER A 47 16.664 -14.429 -11.824 1.00 12.41 H new ATOM 0 HB2 SER A 47 18.403 -15.939 -11.054 1.00 2.11 H new ATOM 0 HB3 SER A 47 17.250 -16.860 -11.998 1.00 2.11 H new ATOM 0 HG SER A 47 19.452 -15.732 -13.365 1.00 13.51 H new ATOM 707 N ARG A 48 18.221 -12.541 -12.169 1.00 12.13 N ATOM 708 CA ARG A 48 19.170 -11.438 -12.263 1.00 14.02 C ATOM 709 C ARG A 48 18.971 -10.451 -11.117 1.00 12.44 C ATOM 710 O ARG A 48 17.916 -10.425 -10.481 1.00 65.55 O ATOM 711 CB ARG A 48 19.015 -10.717 -13.603 1.00 64.44 C ATOM 712 CG ARG A 48 20.332 -10.491 -14.328 1.00 41.11 C ATOM 713 CD ARG A 48 20.877 -9.095 -14.070 1.00 50.20 C ATOM 714 NE ARG A 48 21.555 -8.547 -15.242 1.00 1.34 N ATOM 715 CZ ARG A 48 22.437 -7.555 -15.183 1.00 62.23 C ATOM 716 NH1 ARG A 48 22.747 -7.007 -14.017 1.00 14.54 N ATOM 717 NH2 ARG A 48 23.012 -7.111 -16.294 1.00 23.15 N ATOM 0 H ARG A 48 17.377 -12.327 -11.638 1.00 12.13 H new ATOM 0 HA ARG A 48 20.176 -11.851 -12.194 1.00 14.02 H new ATOM 0 HB2 ARG A 48 18.352 -11.298 -14.244 1.00 64.44 H new ATOM 0 HB3 ARG A 48 18.533 -9.754 -13.434 1.00 64.44 H new ATOM 0 HG2 ARG A 48 21.060 -11.233 -14.002 1.00 41.11 H new ATOM 0 HG3 ARG A 48 20.188 -10.635 -15.399 1.00 41.11 H new ATOM 0 HD2 ARG A 48 20.059 -8.434 -13.782 1.00 50.20 H new ATOM 0 HD3 ARG A 48 21.572 -9.126 -13.231 1.00 50.20 H new ATOM 0 HE ARG A 48 21.340 -8.947 -16.155 1.00 1.34 H new ATOM 0 HH11 ARG A 48 22.308 -7.347 -13.161 1.00 14.54 H new ATOM 0 HH12 ARG A 48 23.425 -6.246 -13.975 1.00 14.54 H new ATOM 0 HH21 ARG A 48 22.777 -7.531 -17.193 1.00 23.15 H new ATOM 0 HH22 ARG A 48 23.689 -6.349 -16.249 1.00 23.15 H new ATOM 731 N ASP A 49 19.991 -9.640 -10.858 1.00 13.32 N ATOM 732 CA ASP A 49 19.928 -8.650 -9.789 1.00 2.14 C ATOM 733 C ASP A 49 20.685 -7.383 -10.176 1.00 25.43 C ATOM 734 O ASP A 49 21.916 -7.376 -10.230 1.00 74.43 O ATOM 735 CB ASP A 49 20.504 -9.228 -8.495 1.00 62.10 C ATOM 736 CG ASP A 49 19.431 -9.528 -7.467 1.00 61.40 C ATOM 737 OD1 ASP A 49 19.030 -8.597 -6.738 1.00 52.32 O ATOM 738 OD2 ASP A 49 18.992 -10.695 -7.392 1.00 0.22 O ATOM 0 H ASP A 49 20.871 -9.649 -11.374 1.00 13.32 H new ATOM 0 HA ASP A 49 18.881 -8.391 -9.628 1.00 2.14 H new ATOM 0 HB2 ASP A 49 21.052 -10.143 -8.721 1.00 62.10 H new ATOM 0 HB3 ASP A 49 21.220 -8.523 -8.073 1.00 62.10 H new ATOM 743 N ILE A 50 19.943 -6.315 -10.444 1.00 53.11 N ATOM 744 CA ILE A 50 20.544 -5.043 -10.826 1.00 63.30 C ATOM 745 C ILE A 50 20.922 -4.223 -9.597 1.00 65.14 C ATOM 746 O ILE A 50 20.071 -3.587 -8.975 1.00 43.54 O ATOM 747 CB ILE A 50 19.594 -4.214 -11.711 1.00 25.25 C ATOM 748 CG1 ILE A 50 19.088 -5.057 -12.883 1.00 22.22 C ATOM 749 CG2 ILE A 50 20.298 -2.963 -12.215 1.00 72.24 C ATOM 750 CD1 ILE A 50 20.040 -5.091 -14.058 1.00 54.53 C ATOM 0 H ILE A 50 18.924 -6.305 -10.404 1.00 53.11 H new ATOM 0 HA ILE A 50 21.444 -5.277 -11.395 1.00 63.30 H new ATOM 0 HB ILE A 50 18.736 -3.908 -11.112 1.00 25.25 H new ATOM 0 HG12 ILE A 50 18.913 -6.076 -12.538 1.00 22.22 H new ATOM 0 HG13 ILE A 50 18.127 -4.663 -13.215 1.00 22.22 H new ATOM 0 HG21 ILE A 50 19.614 -2.387 -12.839 1.00 72.24 H new ATOM 0 HG22 ILE A 50 20.613 -2.356 -11.366 1.00 72.24 H new ATOM 0 HG23 ILE A 50 21.171 -3.248 -12.801 1.00 72.24 H new ATOM 0 HD11 ILE A 50 19.617 -5.707 -14.852 1.00 54.53 H new ATOM 0 HD12 ILE A 50 20.196 -4.078 -14.429 1.00 54.53 H new ATOM 0 HD13 ILE A 50 20.994 -5.513 -13.741 1.00 54.53 H new ATOM 762 N THR A 51 22.206 -4.241 -9.253 1.00 4.31 N ATOM 763 CA THR A 51 22.698 -3.498 -8.099 1.00 65.43 C ATOM 764 C THR A 51 23.071 -2.071 -8.482 1.00 54.42 C ATOM 765 O THR A 51 23.916 -1.445 -7.842 1.00 31.11 O ATOM 766 CB THR A 51 23.925 -4.186 -7.471 1.00 4.43 C ATOM 767 OG1 THR A 51 24.953 -4.350 -8.455 1.00 14.22 O ATOM 768 CG2 THR A 51 23.549 -5.541 -6.892 1.00 61.20 C ATOM 0 H THR A 51 22.924 -4.762 -9.757 1.00 4.31 H new ATOM 0 HA THR A 51 21.889 -3.475 -7.369 1.00 65.43 H new ATOM 0 HB THR A 51 24.294 -3.554 -6.663 1.00 4.43 H new ATOM 0 HG1 THR A 51 25.730 -4.786 -8.047 1.00 14.22 H new ATOM 0 HG21 THR A 51 24.432 -6.007 -6.454 1.00 61.20 H new ATOM 0 HG22 THR A 51 22.789 -5.409 -6.122 1.00 61.20 H new ATOM 0 HG23 THR A 51 23.157 -6.179 -7.684 1.00 61.20 H new ATOM 776 N LYS A 52 22.434 -1.559 -9.530 1.00 72.02 N ATOM 777 CA LYS A 52 22.696 -0.203 -9.998 1.00 71.22 C ATOM 778 C LYS A 52 21.854 0.120 -11.228 1.00 61.15 C ATOM 779 O LYS A 52 21.737 -0.679 -12.157 1.00 72.55 O ATOM 780 CB LYS A 52 24.181 -0.032 -10.324 1.00 63.43 C ATOM 781 CG LYS A 52 24.928 0.834 -9.325 1.00 53.51 C ATOM 782 CD LYS A 52 25.733 1.919 -10.020 1.00 43.22 C ATOM 783 CE LYS A 52 26.614 2.676 -9.037 1.00 71.35 C ATOM 784 NZ LYS A 52 27.603 3.544 -9.734 1.00 11.31 N ATOM 0 H LYS A 52 21.732 -2.063 -10.072 1.00 72.02 H new ATOM 0 HA LYS A 52 22.423 0.489 -9.201 1.00 71.22 H new ATOM 0 HB2 LYS A 52 24.651 -1.015 -10.363 1.00 63.43 H new ATOM 0 HB3 LYS A 52 24.278 0.407 -11.317 1.00 63.43 H new ATOM 0 HG2 LYS A 52 24.218 1.291 -8.636 1.00 53.51 H new ATOM 0 HG3 LYS A 52 25.594 0.211 -8.729 1.00 53.51 H new ATOM 0 HD2 LYS A 52 26.354 1.472 -10.797 1.00 43.22 H new ATOM 0 HD3 LYS A 52 25.056 2.616 -10.514 1.00 43.22 H new ATOM 0 HE2 LYS A 52 25.989 3.287 -8.386 1.00 71.35 H new ATOM 0 HE3 LYS A 52 27.140 1.966 -8.399 1.00 71.35 H new ATOM 0 HZ1 LYS A 52 28.184 4.043 -9.030 1.00 11.31 H new ATOM 0 HZ2 LYS A 52 28.216 2.958 -10.336 1.00 11.31 H new ATOM 0 HZ3 LYS A 52 27.101 4.239 -10.323 1.00 11.31 H new ATOM 798 N PRO A 53 21.255 1.320 -11.238 1.00 34.21 N ATOM 799 CA PRO A 53 20.415 1.776 -12.349 1.00 40.44 C ATOM 800 C PRO A 53 21.226 2.063 -13.609 1.00 32.52 C ATOM 801 O PRO A 53 22.455 2.119 -13.569 1.00 61.42 O ATOM 802 CB PRO A 53 19.787 3.065 -11.813 1.00 41.44 C ATOM 803 CG PRO A 53 20.745 3.553 -10.782 1.00 44.33 C ATOM 804 CD PRO A 53 21.351 2.323 -10.164 1.00 54.25 C ATOM 0 HA PRO A 53 19.686 1.021 -12.645 1.00 40.44 H new ATOM 0 HB2 PRO A 53 19.652 3.799 -12.607 1.00 41.44 H new ATOM 0 HB3 PRO A 53 18.804 2.877 -11.382 1.00 41.44 H new ATOM 0 HG2 PRO A 53 21.513 4.183 -11.230 1.00 44.33 H new ATOM 0 HG3 PRO A 53 20.236 4.157 -10.031 1.00 44.33 H new ATOM 0 HD2 PRO A 53 22.385 2.492 -9.863 1.00 54.25 H new ATOM 0 HD3 PRO A 53 20.807 2.011 -9.273 1.00 54.25 H new ATOM 812 N LYS A 54 20.530 2.243 -14.726 1.00 41.53 N ATOM 813 CA LYS A 54 21.185 2.526 -15.998 1.00 74.23 C ATOM 814 C LYS A 54 21.012 3.991 -16.386 1.00 0.15 C ATOM 815 O LYS A 54 21.990 4.722 -16.535 1.00 11.41 O ATOM 816 CB LYS A 54 20.617 1.626 -17.098 1.00 55.34 C ATOM 817 CG LYS A 54 21.129 1.966 -18.487 1.00 64.11 C ATOM 818 CD LYS A 54 20.064 1.739 -19.546 1.00 73.21 C ATOM 819 CE LYS A 54 19.955 0.269 -19.921 1.00 32.30 C ATOM 820 NZ LYS A 54 19.136 0.068 -21.149 1.00 0.54 N ATOM 0 H LYS A 54 19.512 2.198 -14.777 1.00 41.53 H new ATOM 0 HA LYS A 54 22.250 2.323 -15.883 1.00 74.23 H new ATOM 0 HB2 LYS A 54 20.866 0.589 -16.872 1.00 55.34 H new ATOM 0 HB3 LYS A 54 19.530 1.701 -17.092 1.00 55.34 H new ATOM 0 HG2 LYS A 54 21.452 3.007 -18.512 1.00 64.11 H new ATOM 0 HG3 LYS A 54 22.003 1.356 -18.713 1.00 64.11 H new ATOM 0 HD2 LYS A 54 19.102 2.094 -19.177 1.00 73.21 H new ATOM 0 HD3 LYS A 54 20.301 2.325 -20.434 1.00 73.21 H new ATOM 0 HE2 LYS A 54 20.953 -0.140 -20.079 1.00 32.30 H new ATOM 0 HE3 LYS A 54 19.511 -0.285 -19.094 1.00 32.30 H new ATOM 0 HZ1 LYS A 54 18.830 -0.924 -21.204 1.00 0.54 H new ATOM 0 HZ2 LYS A 54 18.301 0.687 -21.114 1.00 0.54 H new ATOM 0 HZ3 LYS A 54 19.705 0.301 -21.988 1.00 0.54 H new ATOM 834 N ASN A 55 19.762 4.413 -16.545 1.00 52.01 N ATOM 835 CA ASN A 55 19.462 5.792 -16.914 1.00 33.30 C ATOM 836 C ASN A 55 18.375 6.371 -16.014 1.00 1.54 C ATOM 837 O ASN A 55 17.360 6.876 -16.493 1.00 65.41 O ATOM 838 CB ASN A 55 19.020 5.866 -18.377 1.00 65.41 C ATOM 839 CG ASN A 55 20.168 6.198 -19.311 1.00 1.30 C ATOM 840 OD1 ASN A 55 21.335 6.001 -18.973 1.00 3.11 O ATOM 841 ND2 ASN A 55 19.840 6.706 -20.493 1.00 43.24 N ATOM 0 H ASN A 55 18.941 3.820 -16.424 1.00 52.01 H new ATOM 0 HA ASN A 55 20.369 6.382 -16.785 1.00 33.30 H new ATOM 0 HB2 ASN A 55 18.581 4.912 -18.670 1.00 65.41 H new ATOM 0 HB3 ASN A 55 18.241 6.621 -18.481 1.00 65.41 H new ATOM 0 HD21 ASN A 55 20.569 6.950 -21.163 1.00 43.24 H new ATOM 0 HD22 ASN A 55 18.859 6.852 -20.731 1.00 43.24 H new ATOM 848 N GLY A 56 18.596 6.296 -14.705 1.00 1.35 N ATOM 849 CA GLY A 56 17.628 6.818 -13.758 1.00 32.44 C ATOM 850 C GLY A 56 16.647 5.761 -13.290 1.00 22.42 C ATOM 851 O GLY A 56 16.010 5.913 -12.247 1.00 42.15 O ATOM 0 H GLY A 56 19.428 5.883 -14.284 1.00 1.35 H new ATOM 0 HA2 GLY A 56 18.153 7.229 -12.896 1.00 32.44 H new ATOM 0 HA3 GLY A 56 17.080 7.640 -14.219 1.00 32.44 H new ATOM 855 N ARG A 57 16.524 4.687 -14.063 1.00 30.52 N ATOM 856 CA ARG A 57 15.612 3.601 -13.723 1.00 55.41 C ATOM 857 C ARG A 57 16.294 2.246 -13.885 1.00 1.33 C ATOM 858 O ARG A 57 17.326 2.135 -14.547 1.00 52.21 O ATOM 859 CB ARG A 57 14.362 3.663 -14.603 1.00 52.12 C ATOM 860 CG ARG A 57 13.875 5.078 -14.871 1.00 73.30 C ATOM 861 CD ARG A 57 13.515 5.275 -16.335 1.00 50.23 C ATOM 862 NE ARG A 57 12.554 6.359 -16.521 1.00 74.34 N ATOM 863 CZ ARG A 57 12.861 7.644 -16.389 1.00 54.43 C ATOM 864 NH1 ARG A 57 14.096 8.005 -16.072 1.00 44.13 N ATOM 865 NH2 ARG A 57 11.930 8.572 -16.575 1.00 4.32 N ATOM 0 H ARG A 57 17.044 4.545 -14.929 1.00 30.52 H new ATOM 0 HA ARG A 57 15.321 3.719 -12.679 1.00 55.41 H new ATOM 0 HB2 ARG A 57 14.573 3.174 -15.554 1.00 52.12 H new ATOM 0 HB3 ARG A 57 13.563 3.097 -14.124 1.00 52.12 H new ATOM 0 HG2 ARG A 57 13.004 5.288 -14.250 1.00 73.30 H new ATOM 0 HG3 ARG A 57 14.649 5.791 -14.586 1.00 73.30 H new ATOM 0 HD2 ARG A 57 14.419 5.490 -16.905 1.00 50.23 H new ATOM 0 HD3 ARG A 57 13.099 4.350 -16.734 1.00 50.23 H new ATOM 0 HE ARG A 57 11.594 6.115 -16.766 1.00 74.34 H new ATOM 0 HH11 ARG A 57 14.814 7.295 -15.929 1.00 44.13 H new ATOM 0 HH12 ARG A 57 14.329 8.993 -15.971 1.00 44.13 H new ATOM 0 HH21 ARG A 57 10.978 8.298 -16.819 1.00 4.32 H new ATOM 0 HH22 ARG A 57 12.166 9.559 -16.473 1.00 4.32 H new ATOM 879 N TRP A 58 15.712 1.220 -13.275 1.00 52.21 N ATOM 880 CA TRP A 58 16.264 -0.127 -13.351 1.00 25.40 C ATOM 881 C TRP A 58 15.788 -0.841 -14.611 1.00 74.20 C ATOM 882 O TRP A 58 14.735 -1.481 -14.612 1.00 65.01 O ATOM 883 CB TRP A 58 15.869 -0.933 -12.113 1.00 31.53 C ATOM 884 CG TRP A 58 16.032 -0.173 -10.832 1.00 13.43 C ATOM 885 CD1 TRP A 58 15.133 0.688 -10.270 1.00 53.50 C ATOM 886 CD2 TRP A 58 17.163 -0.203 -9.955 1.00 31.34 C ATOM 887 NE1 TRP A 58 15.637 1.195 -9.096 1.00 40.05 N ATOM 888 CE2 TRP A 58 16.881 0.663 -8.880 1.00 75.12 C ATOM 889 CE3 TRP A 58 18.386 -0.880 -9.971 1.00 14.41 C ATOM 890 CZ2 TRP A 58 17.777 0.869 -7.835 1.00 45.45 C ATOM 891 CZ3 TRP A 58 19.275 -0.673 -8.933 1.00 72.35 C ATOM 892 CH2 TRP A 58 18.967 0.194 -7.877 1.00 41.52 C ATOM 0 H TRP A 58 14.858 1.295 -12.722 1.00 52.21 H new ATOM 0 HA TRP A 58 17.350 -0.045 -13.391 1.00 25.40 H new ATOM 0 HB2 TRP A 58 14.830 -1.249 -12.210 1.00 31.53 H new ATOM 0 HB3 TRP A 58 16.474 -1.838 -12.069 1.00 31.53 H new ATOM 0 HD1 TRP A 58 14.168 0.934 -10.687 1.00 53.50 H new ATOM 0 HE1 TRP A 58 15.162 1.859 -8.485 1.00 40.05 H new ATOM 0 HE3 TRP A 58 18.632 -1.552 -10.780 1.00 14.41 H new ATOM 0 HZ2 TRP A 58 17.542 1.538 -7.020 1.00 45.45 H new ATOM 0 HZ3 TRP A 58 20.224 -1.189 -8.936 1.00 72.35 H new ATOM 0 HH2 TRP A 58 19.683 0.333 -7.080 1.00 41.52 H new ATOM 903 N ILE A 59 16.567 -0.728 -15.681 1.00 40.41 N ATOM 904 CA ILE A 59 16.224 -1.364 -16.947 1.00 14.23 C ATOM 905 C ILE A 59 17.007 -2.657 -17.142 1.00 64.24 C ATOM 906 O ILE A 59 18.158 -2.768 -16.720 1.00 25.11 O ATOM 907 CB ILE A 59 16.494 -0.427 -18.139 1.00 60.52 C ATOM 908 CG1 ILE A 59 15.858 0.943 -17.894 1.00 63.54 C ATOM 909 CG2 ILE A 59 15.963 -1.042 -19.426 1.00 1.41 C ATOM 910 CD1 ILE A 59 16.491 2.055 -18.701 1.00 0.15 C ATOM 0 H ILE A 59 17.441 -0.202 -15.697 1.00 40.41 H new ATOM 0 HA ILE A 59 15.158 -1.590 -16.908 1.00 14.23 H new ATOM 0 HB ILE A 59 17.571 -0.293 -18.240 1.00 60.52 H new ATOM 0 HG12 ILE A 59 14.796 0.890 -18.134 1.00 63.54 H new ATOM 0 HG13 ILE A 59 15.934 1.186 -16.834 1.00 63.54 H new ATOM 0 HG21 ILE A 59 16.161 -0.368 -20.260 1.00 1.41 H new ATOM 0 HG22 ILE A 59 16.459 -1.996 -19.605 1.00 1.41 H new ATOM 0 HG23 ILE A 59 14.889 -1.202 -19.336 1.00 1.41 H new ATOM 0 HD11 ILE A 59 15.991 2.997 -18.477 1.00 0.15 H new ATOM 0 HD12 ILE A 59 17.547 2.135 -18.444 1.00 0.15 H new ATOM 0 HD13 ILE A 59 16.392 1.835 -19.764 1.00 0.15 H new ATOM 922 N PHE A 60 16.377 -3.633 -17.787 1.00 74.03 N ATOM 923 CA PHE A 60 17.015 -4.919 -18.040 1.00 60.54 C ATOM 924 C PHE A 60 16.621 -5.462 -19.411 1.00 52.11 C ATOM 925 O PHE A 60 15.566 -5.120 -19.946 1.00 41.30 O ATOM 926 CB PHE A 60 16.633 -5.925 -16.952 1.00 61.13 C ATOM 927 CG PHE A 60 17.073 -7.329 -17.253 1.00 30.51 C ATOM 928 CD1 PHE A 60 18.411 -7.621 -17.462 1.00 43.54 C ATOM 929 CD2 PHE A 60 16.148 -8.358 -17.327 1.00 30.44 C ATOM 930 CE1 PHE A 60 18.820 -8.912 -17.739 1.00 14.21 C ATOM 931 CE2 PHE A 60 16.550 -9.652 -17.602 1.00 43.43 C ATOM 932 CZ PHE A 60 17.887 -9.928 -17.810 1.00 25.41 C ATOM 0 H PHE A 60 15.425 -3.558 -18.144 1.00 74.03 H new ATOM 0 HA PHE A 60 18.095 -4.769 -18.024 1.00 60.54 H new ATOM 0 HB2 PHE A 60 17.073 -5.610 -16.006 1.00 61.13 H new ATOM 0 HB3 PHE A 60 15.551 -5.912 -16.820 1.00 61.13 H new ATOM 0 HD1 PHE A 60 19.144 -6.830 -17.408 1.00 43.54 H new ATOM 0 HD2 PHE A 60 15.101 -8.147 -17.168 1.00 30.44 H new ATOM 0 HE1 PHE A 60 19.866 -9.126 -17.899 1.00 14.21 H new ATOM 0 HE2 PHE A 60 15.819 -10.446 -17.654 1.00 43.43 H new ATOM 0 HZ PHE A 60 18.203 -10.938 -18.028 1.00 25.41 H new ATOM 942 N ARG A 61 17.476 -6.309 -19.974 1.00 22.22 N ATOM 943 CA ARG A 61 17.219 -6.898 -21.283 1.00 1.15 C ATOM 944 C ARG A 61 17.703 -8.344 -21.333 1.00 25.02 C ATOM 945 O ARG A 61 18.888 -8.619 -21.142 1.00 62.32 O ATOM 946 CB ARG A 61 17.907 -6.080 -22.377 1.00 72.13 C ATOM 947 CG ARG A 61 17.734 -4.579 -22.215 1.00 52.34 C ATOM 948 CD ARG A 61 18.980 -3.935 -21.627 1.00 54.34 C ATOM 949 NE ARG A 61 19.627 -3.031 -22.574 1.00 42.31 N ATOM 950 CZ ARG A 61 20.774 -2.407 -22.328 1.00 21.20 C ATOM 951 NH1 ARG A 61 21.397 -2.589 -21.172 1.00 34.44 N ATOM 952 NH2 ARG A 61 21.301 -1.600 -23.240 1.00 12.12 N ATOM 0 H ARG A 61 18.353 -6.603 -19.544 1.00 22.22 H new ATOM 0 HA ARG A 61 16.143 -6.888 -21.454 1.00 1.15 H new ATOM 0 HB2 ARG A 61 18.971 -6.316 -22.381 1.00 72.13 H new ATOM 0 HB3 ARG A 61 17.511 -6.380 -23.347 1.00 72.13 H new ATOM 0 HG2 ARG A 61 17.514 -4.130 -23.184 1.00 52.34 H new ATOM 0 HG3 ARG A 61 16.880 -4.378 -21.569 1.00 52.34 H new ATOM 0 HD2 ARG A 61 18.712 -3.384 -20.725 1.00 54.34 H new ATOM 0 HD3 ARG A 61 19.684 -4.712 -21.329 1.00 54.34 H new ATOM 0 HE ARG A 61 19.174 -2.870 -23.473 1.00 42.31 H new ATOM 0 HH11 ARG A 61 20.996 -3.209 -20.469 1.00 34.44 H new ATOM 0 HH12 ARG A 61 22.277 -2.109 -20.986 1.00 34.44 H new ATOM 0 HH21 ARG A 61 20.826 -1.458 -24.131 1.00 12.12 H new ATOM 0 HH22 ARG A 61 22.182 -1.122 -23.050 1.00 12.12 H new ATOM 966 N ASP A 62 16.780 -9.263 -21.590 1.00 74.20 N ATOM 967 CA ASP A 62 17.112 -10.681 -21.666 1.00 21.11 C ATOM 968 C ASP A 62 17.413 -11.092 -23.104 1.00 32.52 C ATOM 969 O ASP A 62 17.391 -10.264 -24.014 1.00 62.13 O ATOM 970 CB ASP A 62 15.965 -11.526 -21.110 1.00 20.22 C ATOM 971 CG ASP A 62 16.457 -12.751 -20.364 1.00 1.35 C ATOM 972 OD1 ASP A 62 16.773 -12.626 -19.162 1.00 22.14 O ATOM 973 OD2 ASP A 62 16.525 -13.834 -20.981 1.00 42.31 O ATOM 0 H ASP A 62 15.795 -9.052 -21.749 1.00 74.20 H new ATOM 0 HA ASP A 62 18.004 -10.853 -21.064 1.00 21.11 H new ATOM 0 HB2 ASP A 62 15.359 -10.915 -20.440 1.00 20.22 H new ATOM 0 HB3 ASP A 62 15.318 -11.839 -21.929 1.00 20.22 H new ATOM 978 N ARG A 63 17.694 -12.376 -23.300 1.00 70.51 N ATOM 979 CA ARG A 63 18.001 -12.897 -24.627 1.00 25.24 C ATOM 980 C ARG A 63 17.466 -14.317 -24.791 1.00 42.41 C ATOM 981 O ARG A 63 17.785 -15.002 -25.761 1.00 62.24 O ATOM 982 CB ARG A 63 19.512 -12.879 -24.867 1.00 61.33 C ATOM 983 CG ARG A 63 20.301 -13.681 -23.845 1.00 42.02 C ATOM 984 CD ARG A 63 21.786 -13.695 -24.174 1.00 51.00 C ATOM 985 NE ARG A 63 22.602 -13.272 -23.039 1.00 52.11 N ATOM 986 CZ ARG A 63 23.902 -13.522 -22.935 1.00 43.23 C ATOM 987 NH1 ARG A 63 24.531 -14.189 -23.893 1.00 42.43 N ATOM 988 NH2 ARG A 63 24.577 -13.104 -21.872 1.00 14.04 N ATOM 0 H ARG A 63 17.715 -13.075 -22.557 1.00 70.51 H new ATOM 0 HA ARG A 63 17.515 -12.257 -25.363 1.00 25.24 H new ATOM 0 HB2 ARG A 63 19.718 -13.273 -25.862 1.00 61.33 H new ATOM 0 HB3 ARG A 63 19.861 -11.846 -24.854 1.00 61.33 H new ATOM 0 HG2 ARG A 63 20.151 -13.256 -22.853 1.00 42.02 H new ATOM 0 HG3 ARG A 63 19.924 -14.703 -23.814 1.00 42.02 H new ATOM 0 HD2 ARG A 63 22.081 -14.700 -24.478 1.00 51.00 H new ATOM 0 HD3 ARG A 63 21.976 -13.037 -25.022 1.00 51.00 H new ATOM 0 HE ARG A 63 22.148 -12.756 -22.285 1.00 52.11 H new ATOM 0 HH11 ARG A 63 24.016 -14.511 -24.712 1.00 42.43 H new ATOM 0 HH12 ARG A 63 25.530 -14.380 -23.811 1.00 42.43 H new ATOM 0 HH21 ARG A 63 24.097 -12.590 -21.133 1.00 14.04 H new ATOM 0 HH22 ARG A 63 25.576 -13.297 -21.794 1.00 14.04 H new ATOM 1002 N ASN A 64 16.651 -14.751 -23.835 1.00 41.42 N ATOM 1003 CA ASN A 64 16.072 -16.089 -23.873 1.00 44.34 C ATOM 1004 C ASN A 64 14.550 -16.025 -23.800 1.00 32.24 C ATOM 1005 O ASN A 64 13.873 -17.052 -23.843 1.00 52.14 O ATOM 1006 CB ASN A 64 16.615 -16.935 -22.720 1.00 42.11 C ATOM 1007 CG ASN A 64 16.098 -16.474 -21.371 1.00 40.32 C ATOM 1008 OD1 ASN A 64 14.890 -16.375 -21.158 1.00 35.52 O ATOM 1009 ND2 ASN A 64 17.014 -16.188 -20.453 1.00 13.31 N ATOM 0 H ASN A 64 16.377 -14.196 -23.025 1.00 41.42 H new ATOM 0 HA ASN A 64 16.353 -16.553 -24.818 1.00 44.34 H new ATOM 0 HB2 ASN A 64 16.337 -17.977 -22.876 1.00 42.11 H new ATOM 0 HB3 ASN A 64 17.704 -16.892 -22.723 1.00 42.11 H new ATOM 0 HD21 ASN A 64 16.726 -15.872 -19.527 1.00 13.31 H new ATOM 0 HD22 ASN A 64 18.005 -16.285 -20.674 1.00 13.31 H new ATOM 1016 N ALA A 65 14.018 -14.812 -23.688 1.00 23.31 N ATOM 1017 CA ALA A 65 12.576 -14.614 -23.611 1.00 23.23 C ATOM 1018 C ALA A 65 11.953 -14.573 -25.002 1.00 34.44 C ATOM 1019 O ALA A 65 11.983 -13.544 -25.676 1.00 23.51 O ATOM 1020 CB ALA A 65 12.259 -13.335 -22.850 1.00 62.12 C ATOM 0 H ALA A 65 14.564 -13.952 -23.649 1.00 23.31 H new ATOM 0 HA ALA A 65 12.146 -15.459 -23.074 1.00 23.23 H new ATOM 0 HB1 ALA A 65 11.179 -13.200 -22.800 1.00 62.12 H new ATOM 0 HB2 ALA A 65 12.663 -13.403 -21.840 1.00 62.12 H new ATOM 0 HB3 ALA A 65 12.708 -12.485 -23.364 1.00 62.12 H new ATOM 1026 N ALA A 66 11.388 -15.699 -25.425 1.00 73.40 N ATOM 1027 CA ALA A 66 10.756 -15.791 -26.735 1.00 73.33 C ATOM 1028 C ALA A 66 9.240 -15.665 -26.624 1.00 2.41 C ATOM 1029 O ALA A 66 8.519 -16.662 -26.668 1.00 14.15 O ATOM 1030 CB ALA A 66 11.129 -17.102 -27.411 1.00 25.43 C ATOM 0 H ALA A 66 11.355 -16.560 -24.879 1.00 73.40 H new ATOM 0 HA ALA A 66 11.120 -14.964 -27.344 1.00 73.33 H new ATOM 0 HB1 ALA A 66 10.650 -17.157 -28.388 1.00 25.43 H new ATOM 0 HB2 ALA A 66 12.211 -17.153 -27.534 1.00 25.43 H new ATOM 0 HB3 ALA A 66 10.794 -17.937 -26.796 1.00 25.43 H new ATOM 1036 N LEU A 67 8.763 -14.433 -26.479 1.00 63.21 N ATOM 1037 CA LEU A 67 7.332 -14.176 -26.361 1.00 3.04 C ATOM 1038 C LEU A 67 6.883 -13.122 -27.368 1.00 22.13 C ATOM 1039 O LEU A 67 7.707 -12.476 -28.016 1.00 72.32 O ATOM 1040 CB LEU A 67 6.992 -13.719 -24.941 1.00 1.10 C ATOM 1041 CG LEU A 67 7.190 -12.231 -24.649 1.00 63.03 C ATOM 1042 CD1 LEU A 67 8.559 -11.771 -25.127 1.00 72.12 C ATOM 1043 CD2 LEU A 67 6.090 -11.408 -25.304 1.00 24.11 C ATOM 0 H LEU A 67 9.346 -13.597 -26.440 1.00 63.21 H new ATOM 0 HA LEU A 67 6.802 -15.104 -26.574 1.00 3.04 H new ATOM 0 HB2 LEU A 67 5.952 -13.973 -24.738 1.00 1.10 H new ATOM 0 HB3 LEU A 67 7.602 -14.290 -24.241 1.00 1.10 H new ATOM 0 HG LEU A 67 7.135 -12.081 -23.571 1.00 63.03 H new ATOM 0 HD11 LEU A 67 8.682 -10.710 -24.911 1.00 72.12 H new ATOM 0 HD12 LEU A 67 9.334 -12.339 -24.612 1.00 72.12 H new ATOM 0 HD13 LEU A 67 8.643 -11.935 -26.201 1.00 72.12 H new ATOM 0 HD21 LEU A 67 6.247 -10.352 -25.086 1.00 24.11 H new ATOM 0 HD22 LEU A 67 6.113 -11.563 -26.383 1.00 24.11 H new ATOM 0 HD23 LEU A 67 5.121 -11.719 -24.913 1.00 24.11 H new ATOM 1055 N LYS A 68 5.571 -12.951 -27.492 1.00 64.45 N ATOM 1056 CA LYS A 68 5.011 -11.974 -28.418 1.00 1.55 C ATOM 1057 C LYS A 68 3.592 -11.591 -28.011 1.00 12.54 C ATOM 1058 O LYS A 68 2.878 -12.382 -27.393 1.00 64.04 O ATOM 1059 CB LYS A 68 5.012 -12.531 -29.843 1.00 15.41 C ATOM 1060 CG LYS A 68 4.287 -13.859 -29.977 1.00 24.11 C ATOM 1061 CD LYS A 68 5.257 -15.028 -29.944 1.00 20.53 C ATOM 1062 CE LYS A 68 4.523 -16.361 -29.928 1.00 2.34 C ATOM 1063 NZ LYS A 68 5.456 -17.505 -29.736 1.00 21.51 N ATOM 0 H LYS A 68 4.876 -13.477 -26.962 1.00 64.45 H new ATOM 0 HA LYS A 68 5.634 -11.080 -28.384 1.00 1.55 H new ATOM 0 HB2 LYS A 68 4.547 -11.804 -30.509 1.00 15.41 H new ATOM 0 HB3 LYS A 68 6.043 -12.654 -30.175 1.00 15.41 H new ATOM 0 HG2 LYS A 68 3.563 -13.963 -29.169 1.00 24.11 H new ATOM 0 HG3 LYS A 68 3.726 -13.876 -30.912 1.00 24.11 H new ATOM 0 HD2 LYS A 68 5.913 -14.983 -30.814 1.00 20.53 H new ATOM 0 HD3 LYS A 68 5.892 -14.950 -29.062 1.00 20.53 H new ATOM 0 HE2 LYS A 68 3.782 -16.358 -29.128 1.00 2.34 H new ATOM 0 HE3 LYS A 68 3.980 -16.488 -30.865 1.00 2.34 H new ATOM 0 HZ1 LYS A 68 4.918 -18.395 -29.731 1.00 21.51 H new ATOM 0 HZ2 LYS A 68 6.147 -17.523 -30.513 1.00 21.51 H new ATOM 0 HZ3 LYS A 68 5.956 -17.397 -28.830 1.00 21.51 H new ATOM 1077 N ILE A 69 3.189 -10.374 -28.361 1.00 53.10 N ATOM 1078 CA ILE A 69 1.854 -9.888 -28.034 1.00 72.31 C ATOM 1079 C ILE A 69 0.863 -11.042 -27.914 1.00 5.43 C ATOM 1080 O ILE A 69 0.682 -11.818 -28.851 1.00 14.13 O ATOM 1081 CB ILE A 69 1.341 -8.895 -29.093 1.00 41.32 C ATOM 1082 CG1 ILE A 69 2.269 -7.681 -29.177 1.00 64.34 C ATOM 1083 CG2 ILE A 69 -0.080 -8.460 -28.768 1.00 1.35 C ATOM 1084 CD1 ILE A 69 1.858 -6.542 -28.272 1.00 11.22 C ATOM 0 H ILE A 69 3.768 -9.707 -28.871 1.00 53.10 H new ATOM 0 HA ILE A 69 1.931 -9.376 -27.075 1.00 72.31 H new ATOM 0 HB ILE A 69 1.335 -9.393 -30.063 1.00 41.32 H new ATOM 0 HG12 ILE A 69 3.282 -7.990 -28.921 1.00 64.34 H new ATOM 0 HG13 ILE A 69 2.295 -7.325 -30.207 1.00 64.34 H new ATOM 0 HG21 ILE A 69 -0.428 -7.758 -29.526 1.00 1.35 H new ATOM 0 HG22 ILE A 69 -0.733 -9.332 -28.754 1.00 1.35 H new ATOM 0 HG23 ILE A 69 -0.098 -7.977 -27.791 1.00 1.35 H new ATOM 0 HD11 ILE A 69 2.561 -5.716 -28.384 1.00 11.22 H new ATOM 0 HD12 ILE A 69 0.857 -6.206 -28.542 1.00 11.22 H new ATOM 0 HD13 ILE A 69 1.859 -6.882 -27.236 1.00 11.22 H new ATOM 1096 N GLY A 70 0.224 -11.147 -26.753 1.00 15.51 N ATOM 1097 CA GLY A 70 -0.742 -12.207 -26.531 1.00 53.24 C ATOM 1098 C GLY A 70 -0.348 -13.121 -25.389 1.00 24.23 C ATOM 1099 O GLY A 70 -1.202 -13.751 -24.765 1.00 12.31 O ATOM 0 H GLY A 70 0.358 -10.517 -25.962 1.00 15.51 H new ATOM 0 HA2 GLY A 70 -1.717 -11.767 -26.321 1.00 53.24 H new ATOM 0 HA3 GLY A 70 -0.848 -12.795 -27.443 1.00 53.24 H new ATOM 1103 N ASP A 71 0.950 -13.196 -25.114 1.00 60.24 N ATOM 1104 CA ASP A 71 1.457 -14.041 -24.039 1.00 74.22 C ATOM 1105 C ASP A 71 1.091 -13.463 -22.676 1.00 32.33 C ATOM 1106 O ASP A 71 0.274 -12.547 -22.576 1.00 64.11 O ATOM 1107 CB ASP A 71 2.974 -14.192 -24.152 1.00 64.15 C ATOM 1108 CG ASP A 71 3.385 -15.572 -24.628 1.00 1.11 C ATOM 1109 OD1 ASP A 71 2.533 -16.484 -24.607 1.00 21.33 O ATOM 1110 OD2 ASP A 71 4.559 -15.739 -25.020 1.00 60.55 O ATOM 0 H ASP A 71 1.670 -12.682 -25.621 1.00 60.24 H new ATOM 0 HA ASP A 71 0.994 -15.023 -24.133 1.00 74.22 H new ATOM 0 HB2 ASP A 71 3.360 -13.443 -24.843 1.00 64.15 H new ATOM 0 HB3 ASP A 71 3.429 -13.995 -23.181 1.00 64.15 H new ATOM 1115 N LYS A 72 1.699 -14.006 -21.626 1.00 44.44 N ATOM 1116 CA LYS A 72 1.439 -13.545 -20.268 1.00 10.13 C ATOM 1117 C LYS A 72 2.659 -13.758 -19.378 1.00 22.04 C ATOM 1118 O LYS A 72 3.633 -14.393 -19.785 1.00 13.40 O ATOM 1119 CB LYS A 72 0.232 -14.280 -19.681 1.00 13.43 C ATOM 1120 CG LYS A 72 -1.050 -13.465 -19.712 1.00 71.30 C ATOM 1121 CD LYS A 72 -2.254 -14.333 -20.039 1.00 41.35 C ATOM 1122 CE LYS A 72 -3.163 -13.663 -21.059 1.00 24.10 C ATOM 1123 NZ LYS A 72 -4.343 -14.509 -21.390 1.00 11.54 N ATOM 0 H LYS A 72 2.376 -14.766 -21.690 1.00 44.44 H new ATOM 0 HA LYS A 72 1.223 -12.477 -20.308 1.00 10.13 H new ATOM 0 HB2 LYS A 72 0.077 -15.207 -20.234 1.00 13.43 H new ATOM 0 HB3 LYS A 72 0.452 -14.557 -18.650 1.00 13.43 H new ATOM 0 HG2 LYS A 72 -1.199 -12.983 -18.746 1.00 71.30 H new ATOM 0 HG3 LYS A 72 -0.960 -12.671 -20.454 1.00 71.30 H new ATOM 0 HD2 LYS A 72 -1.917 -15.294 -20.427 1.00 41.35 H new ATOM 0 HD3 LYS A 72 -2.816 -14.536 -19.127 1.00 41.35 H new ATOM 0 HE2 LYS A 72 -3.502 -12.704 -20.668 1.00 24.10 H new ATOM 0 HE3 LYS A 72 -2.598 -13.456 -21.968 1.00 24.10 H new ATOM 0 HZ1 LYS A 72 -4.938 -14.018 -22.088 1.00 11.54 H new ATOM 0 HZ2 LYS A 72 -4.021 -15.415 -21.786 1.00 11.54 H new ATOM 0 HZ3 LYS A 72 -4.896 -14.686 -20.527 1.00 11.54 H new ATOM 1137 N ILE A 73 2.599 -13.226 -18.162 1.00 2.42 N ATOM 1138 CA ILE A 73 3.699 -13.360 -17.214 1.00 75.42 C ATOM 1139 C ILE A 73 3.184 -13.413 -15.780 1.00 4.25 C ATOM 1140 O ILE A 73 2.157 -12.817 -15.455 1.00 41.30 O ATOM 1141 CB ILE A 73 4.701 -12.199 -17.346 1.00 42.12 C ATOM 1142 CG1 ILE A 73 5.321 -12.188 -18.745 1.00 62.10 C ATOM 1143 CG2 ILE A 73 5.783 -12.310 -16.282 1.00 41.33 C ATOM 1144 CD1 ILE A 73 6.056 -10.907 -19.070 1.00 44.32 C ATOM 0 H ILE A 73 1.801 -12.698 -17.810 1.00 2.42 H new ATOM 0 HA ILE A 73 4.207 -14.295 -17.450 1.00 75.42 H new ATOM 0 HB ILE A 73 4.168 -11.260 -17.198 1.00 42.12 H new ATOM 0 HG12 ILE A 73 6.012 -13.026 -18.834 1.00 62.10 H new ATOM 0 HG13 ILE A 73 4.534 -12.343 -19.483 1.00 62.10 H new ATOM 0 HG21 ILE A 73 6.484 -11.482 -16.388 1.00 41.33 H new ATOM 0 HG22 ILE A 73 5.326 -12.274 -15.293 1.00 41.33 H new ATOM 0 HG23 ILE A 73 6.315 -13.254 -16.401 1.00 41.33 H new ATOM 0 HD11 ILE A 73 6.469 -10.970 -20.077 1.00 44.32 H new ATOM 0 HD12 ILE A 73 5.364 -10.066 -19.014 1.00 44.32 H new ATOM 0 HD13 ILE A 73 6.865 -10.760 -18.354 1.00 44.32 H new ATOM 1156 N TYR A 74 3.906 -14.128 -14.924 1.00 62.12 N ATOM 1157 CA TYR A 74 3.523 -14.259 -13.523 1.00 41.04 C ATOM 1158 C TYR A 74 4.745 -14.509 -12.645 1.00 64.24 C ATOM 1159 O TYR A 74 5.409 -15.539 -12.764 1.00 21.41 O ATOM 1160 CB TYR A 74 2.517 -15.398 -13.353 1.00 34.15 C ATOM 1161 CG TYR A 74 1.574 -15.554 -14.524 1.00 61.34 C ATOM 1162 CD1 TYR A 74 1.926 -16.324 -15.627 1.00 12.54 C ATOM 1163 CD2 TYR A 74 0.331 -14.933 -14.529 1.00 22.11 C ATOM 1164 CE1 TYR A 74 1.068 -16.468 -16.700 1.00 20.23 C ATOM 1165 CE2 TYR A 74 -0.534 -15.073 -15.597 1.00 63.40 C ATOM 1166 CZ TYR A 74 -0.161 -15.841 -16.680 1.00 65.52 C ATOM 1167 OH TYR A 74 -1.018 -15.984 -17.747 1.00 34.34 O ATOM 0 H TYR A 74 4.760 -14.626 -15.176 1.00 62.12 H new ATOM 0 HA TYR A 74 3.059 -13.323 -13.210 1.00 41.04 H new ATOM 0 HB2 TYR A 74 3.060 -16.332 -13.208 1.00 34.15 H new ATOM 0 HB3 TYR A 74 1.934 -15.224 -12.449 1.00 34.15 H new ATOM 0 HD1 TYR A 74 2.886 -16.818 -15.645 1.00 12.54 H new ATOM 0 HD2 TYR A 74 0.036 -14.330 -13.683 1.00 22.11 H new ATOM 0 HE1 TYR A 74 1.358 -17.068 -17.550 1.00 20.23 H new ATOM 0 HE2 TYR A 74 -1.497 -14.584 -15.584 1.00 63.40 H new ATOM 0 HH TYR A 74 -1.916 -15.692 -17.486 1.00 34.34 H new ATOM 1177 N PHE A 75 5.037 -13.559 -11.763 1.00 55.02 N ATOM 1178 CA PHE A 75 6.179 -13.674 -10.864 1.00 72.52 C ATOM 1179 C PHE A 75 6.167 -12.559 -9.823 1.00 75.00 C ATOM 1180 O PHE A 75 5.128 -11.953 -9.559 1.00 72.43 O ATOM 1181 CB PHE A 75 7.486 -13.632 -11.658 1.00 41.02 C ATOM 1182 CG PHE A 75 7.892 -12.246 -12.071 1.00 73.03 C ATOM 1183 CD1 PHE A 75 7.182 -11.564 -13.046 1.00 52.22 C ATOM 1184 CD2 PHE A 75 8.982 -11.625 -11.484 1.00 65.34 C ATOM 1185 CE1 PHE A 75 7.554 -10.289 -13.429 1.00 15.24 C ATOM 1186 CE2 PHE A 75 9.359 -10.350 -11.862 1.00 73.15 C ATOM 1187 CZ PHE A 75 8.642 -9.681 -12.835 1.00 45.32 C ATOM 0 H PHE A 75 4.498 -12.700 -11.652 1.00 55.02 H new ATOM 0 HA PHE A 75 6.107 -14.630 -10.346 1.00 72.52 H new ATOM 0 HB2 PHE A 75 8.282 -14.071 -11.056 1.00 41.02 H new ATOM 0 HB3 PHE A 75 7.381 -14.252 -12.548 1.00 41.02 H new ATOM 0 HD1 PHE A 75 6.328 -12.034 -13.512 1.00 52.22 H new ATOM 0 HD2 PHE A 75 9.544 -12.143 -10.721 1.00 65.34 H new ATOM 0 HE1 PHE A 75 6.994 -9.769 -14.192 1.00 15.24 H new ATOM 0 HE2 PHE A 75 10.212 -9.878 -11.398 1.00 73.15 H new ATOM 0 HZ PHE A 75 8.932 -8.684 -13.131 1.00 45.32 H new ATOM 1197 N TRP A 76 7.327 -12.294 -9.235 1.00 65.31 N ATOM 1198 CA TRP A 76 7.451 -11.252 -8.222 1.00 71.31 C ATOM 1199 C TRP A 76 8.860 -10.671 -8.208 1.00 42.33 C ATOM 1200 O TRP A 76 9.847 -11.407 -8.222 1.00 3.00 O ATOM 1201 CB TRP A 76 7.103 -11.811 -6.841 1.00 52.13 C ATOM 1202 CG TRP A 76 6.931 -13.300 -6.829 1.00 52.30 C ATOM 1203 CD1 TRP A 76 7.906 -14.239 -7.011 1.00 15.21 C ATOM 1204 CD2 TRP A 76 5.710 -14.020 -6.626 1.00 1.32 C ATOM 1205 NE1 TRP A 76 7.364 -15.499 -6.933 1.00 61.41 N ATOM 1206 CE2 TRP A 76 6.019 -15.392 -6.697 1.00 22.24 C ATOM 1207 CE3 TRP A 76 4.387 -13.639 -6.389 1.00 14.20 C ATOM 1208 CZ2 TRP A 76 5.052 -16.382 -6.540 1.00 43.42 C ATOM 1209 CZ3 TRP A 76 3.428 -14.622 -6.234 1.00 61.13 C ATOM 1210 CH2 TRP A 76 3.765 -15.980 -6.309 1.00 75.25 C ATOM 0 H TRP A 76 8.196 -12.786 -9.442 1.00 65.31 H new ATOM 0 HA TRP A 76 6.752 -10.454 -8.470 1.00 71.31 H new ATOM 0 HB2 TRP A 76 7.889 -11.538 -6.138 1.00 52.13 H new ATOM 0 HB3 TRP A 76 6.184 -11.343 -6.489 1.00 52.13 H new ATOM 0 HD1 TRP A 76 8.949 -14.023 -7.190 1.00 15.21 H new ATOM 0 HE1 TRP A 76 7.880 -16.373 -7.034 1.00 61.41 H new ATOM 0 HE3 TRP A 76 4.118 -12.595 -6.328 1.00 14.20 H new ATOM 0 HZ2 TRP A 76 5.309 -17.429 -6.599 1.00 43.42 H new ATOM 0 HZ3 TRP A 76 2.402 -14.339 -6.052 1.00 61.13 H new ATOM 0 HH2 TRP A 76 2.993 -16.724 -6.182 1.00 75.25 H new ATOM 1221 N THR A 77 8.948 -9.344 -8.181 1.00 25.42 N ATOM 1222 CA THR A 77 10.237 -8.664 -8.166 1.00 63.31 C ATOM 1223 C THR A 77 10.679 -8.353 -6.741 1.00 33.45 C ATOM 1224 O THR A 77 9.888 -8.445 -5.801 1.00 61.51 O ATOM 1225 CB THR A 77 10.190 -7.354 -8.974 1.00 43.22 C ATOM 1226 OG1 THR A 77 8.924 -6.711 -8.791 1.00 42.51 O ATOM 1227 CG2 THR A 77 10.419 -7.622 -10.454 1.00 23.00 C ATOM 0 H THR A 77 8.142 -8.720 -8.169 1.00 25.42 H new ATOM 0 HA THR A 77 10.956 -9.341 -8.626 1.00 63.31 H new ATOM 0 HB THR A 77 10.984 -6.701 -8.612 1.00 43.22 H new ATOM 0 HG1 THR A 77 8.903 -5.878 -9.307 1.00 42.51 H new ATOM 0 HG21 THR A 77 10.381 -6.682 -11.004 1.00 23.00 H new ATOM 0 HG22 THR A 77 11.396 -8.085 -10.593 1.00 23.00 H new ATOM 0 HG23 THR A 77 9.644 -8.292 -10.827 1.00 23.00 H new ATOM 1235 N PHE A 78 11.946 -7.984 -6.586 1.00 12.04 N ATOM 1236 CA PHE A 78 12.492 -7.659 -5.273 1.00 65.33 C ATOM 1237 C PHE A 78 13.418 -6.448 -5.354 1.00 35.52 C ATOM 1238 O PHE A 78 14.288 -6.375 -6.221 1.00 40.42 O ATOM 1239 CB PHE A 78 13.252 -8.859 -4.703 1.00 3.31 C ATOM 1240 CG PHE A 78 12.740 -9.312 -3.366 1.00 31.31 C ATOM 1241 CD1 PHE A 78 13.178 -8.707 -2.199 1.00 43.23 C ATOM 1242 CD2 PHE A 78 11.820 -10.345 -3.276 1.00 0.44 C ATOM 1243 CE1 PHE A 78 12.708 -9.122 -0.967 1.00 45.53 C ATOM 1244 CE2 PHE A 78 11.346 -10.763 -2.047 1.00 23.24 C ATOM 1245 CZ PHE A 78 11.792 -10.152 -0.891 1.00 0.20 C ATOM 0 H PHE A 78 12.614 -7.902 -7.353 1.00 12.04 H new ATOM 0 HA PHE A 78 11.661 -7.415 -4.611 1.00 65.33 H new ATOM 0 HB2 PHE A 78 13.187 -9.688 -5.408 1.00 3.31 H new ATOM 0 HB3 PHE A 78 14.307 -8.600 -4.611 1.00 3.31 H new ATOM 0 HD1 PHE A 78 13.895 -7.901 -2.253 1.00 43.23 H new ATOM 0 HD2 PHE A 78 11.470 -10.828 -4.176 1.00 0.44 H new ATOM 0 HE1 PHE A 78 13.057 -8.641 -0.065 1.00 45.53 H new ATOM 0 HE2 PHE A 78 10.627 -11.567 -1.990 1.00 23.24 H new ATOM 0 HZ PHE A 78 11.425 -10.480 0.070 1.00 0.20 H new ATOM 1255 N VAL A 79 13.222 -5.500 -4.443 1.00 71.21 N ATOM 1256 CA VAL A 79 14.038 -4.292 -4.410 1.00 31.34 C ATOM 1257 C VAL A 79 14.464 -3.956 -2.985 1.00 32.21 C ATOM 1258 O VAL A 79 14.076 -4.635 -2.034 1.00 30.51 O ATOM 1259 CB VAL A 79 13.284 -3.089 -5.006 1.00 12.12 C ATOM 1260 CG1 VAL A 79 13.354 -3.114 -6.525 1.00 51.00 C ATOM 1261 CG2 VAL A 79 11.839 -3.078 -4.531 1.00 12.44 C ATOM 0 H VAL A 79 12.506 -5.545 -3.718 1.00 71.21 H new ATOM 0 HA VAL A 79 14.923 -4.491 -5.014 1.00 31.34 H new ATOM 0 HB VAL A 79 13.764 -2.174 -4.659 1.00 12.12 H new ATOM 0 HG11 VAL A 79 12.816 -2.256 -6.928 1.00 51.00 H new ATOM 0 HG12 VAL A 79 14.396 -3.070 -6.842 1.00 51.00 H new ATOM 0 HG13 VAL A 79 12.901 -4.034 -6.895 1.00 51.00 H new ATOM 0 HG21 VAL A 79 11.321 -2.221 -4.962 1.00 12.44 H new ATOM 0 HG22 VAL A 79 11.345 -3.997 -4.847 1.00 12.44 H new ATOM 0 HG23 VAL A 79 11.814 -3.008 -3.444 1.00 12.44 H new ATOM 1271 N ILE A 80 15.263 -2.904 -2.845 1.00 20.01 N ATOM 1272 CA ILE A 80 15.740 -2.477 -1.536 1.00 3.33 C ATOM 1273 C ILE A 80 15.977 -0.971 -1.501 1.00 51.44 C ATOM 1274 O ILE A 80 17.007 -0.482 -1.966 1.00 1.22 O ATOM 1275 CB ILE A 80 17.044 -3.199 -1.149 1.00 5.23 C ATOM 1276 CG1 ILE A 80 16.834 -4.714 -1.151 1.00 60.32 C ATOM 1277 CG2 ILE A 80 17.526 -2.728 0.215 1.00 10.35 C ATOM 1278 CD1 ILE A 80 18.110 -5.502 -0.954 1.00 44.14 C ATOM 0 H ILE A 80 15.594 -2.332 -3.622 1.00 20.01 H new ATOM 0 HA ILE A 80 14.963 -2.737 -0.817 1.00 3.33 H new ATOM 0 HB ILE A 80 17.809 -2.956 -1.887 1.00 5.23 H new ATOM 0 HG12 ILE A 80 16.129 -4.976 -0.362 1.00 60.32 H new ATOM 0 HG13 ILE A 80 16.377 -5.008 -2.096 1.00 60.32 H new ATOM 0 HG21 ILE A 80 18.448 -3.248 0.474 1.00 10.35 H new ATOM 0 HG22 ILE A 80 17.711 -1.654 0.185 1.00 10.35 H new ATOM 0 HG23 ILE A 80 16.765 -2.944 0.965 1.00 10.35 H new ATOM 0 HD11 ILE A 80 17.885 -6.568 -0.966 1.00 44.14 H new ATOM 0 HD12 ILE A 80 18.809 -5.269 -1.757 1.00 44.14 H new ATOM 0 HD13 ILE A 80 18.557 -5.237 0.004 1.00 44.14 H new ATOM 1290 N LYS A 81 15.017 -0.239 -0.947 1.00 15.03 N ATOM 1291 CA LYS A 81 15.120 1.212 -0.848 1.00 11.13 C ATOM 1292 C LYS A 81 15.171 1.656 0.611 1.00 72.22 C ATOM 1293 O LYS A 81 14.474 1.104 1.462 1.00 34.41 O ATOM 1294 CB LYS A 81 13.936 1.878 -1.553 1.00 62.43 C ATOM 1295 CG LYS A 81 13.936 3.392 -1.443 1.00 12.50 C ATOM 1296 CD LYS A 81 12.703 3.898 -0.713 1.00 0.14 C ATOM 1297 CE LYS A 81 12.658 5.418 -0.681 1.00 41.10 C ATOM 1298 NZ LYS A 81 11.534 5.957 -1.496 1.00 64.13 N ATOM 0 H LYS A 81 14.157 -0.627 -0.559 1.00 15.03 H new ATOM 0 HA LYS A 81 16.045 1.519 -1.336 1.00 11.13 H new ATOM 0 HB2 LYS A 81 13.947 1.599 -2.607 1.00 62.43 H new ATOM 0 HB3 LYS A 81 13.008 1.491 -1.131 1.00 62.43 H new ATOM 0 HG2 LYS A 81 14.832 3.719 -0.916 1.00 12.50 H new ATOM 0 HG3 LYS A 81 13.975 3.830 -2.440 1.00 12.50 H new ATOM 0 HD2 LYS A 81 11.807 3.517 -1.203 1.00 0.14 H new ATOM 0 HD3 LYS A 81 12.698 3.511 0.306 1.00 0.14 H new ATOM 0 HE2 LYS A 81 12.554 5.757 0.350 1.00 41.10 H new ATOM 0 HE3 LYS A 81 13.601 5.817 -1.054 1.00 41.10 H new ATOM 0 HZ1 LYS A 81 11.538 6.996 -1.448 1.00 64.13 H new ATOM 0 HZ2 LYS A 81 11.646 5.655 -2.485 1.00 64.13 H new ATOM 0 HZ3 LYS A 81 10.632 5.597 -1.125 1.00 64.13 H new ATOM 1312 N ASP A 82 15.999 2.656 0.891 1.00 14.14 N ATOM 1313 CA ASP A 82 16.138 3.176 2.247 1.00 62.31 C ATOM 1314 C ASP A 82 16.247 2.037 3.257 1.00 44.44 C ATOM 1315 O ASP A 82 15.784 2.153 4.390 1.00 2.34 O ATOM 1316 CB ASP A 82 14.950 4.072 2.597 1.00 13.41 C ATOM 1317 CG ASP A 82 15.350 5.255 3.458 1.00 61.45 C ATOM 1318 OD1 ASP A 82 15.766 6.287 2.891 1.00 13.42 O ATOM 1319 OD2 ASP A 82 15.247 5.147 4.697 1.00 2.43 O ATOM 0 H ASP A 82 16.584 3.123 0.198 1.00 14.14 H new ATOM 0 HA ASP A 82 17.053 3.766 2.291 1.00 62.31 H new ATOM 0 HB2 ASP A 82 14.489 4.435 1.678 1.00 13.41 H new ATOM 0 HB3 ASP A 82 14.197 3.483 3.121 1.00 13.41 H new ATOM 1324 N GLY A 83 16.863 0.936 2.836 1.00 54.34 N ATOM 1325 CA GLY A 83 17.020 -0.208 3.715 1.00 43.53 C ATOM 1326 C GLY A 83 15.694 -0.732 4.227 1.00 13.03 C ATOM 1327 O GLY A 83 15.589 -1.158 5.378 1.00 20.33 O ATOM 0 H GLY A 83 17.256 0.816 1.902 1.00 54.34 H new ATOM 0 HA2 GLY A 83 17.540 -1.004 3.181 1.00 43.53 H new ATOM 0 HA3 GLY A 83 17.648 0.071 4.561 1.00 43.53 H new ATOM 1331 N LEU A 84 14.677 -0.700 3.373 1.00 11.22 N ATOM 1332 CA LEU A 84 13.349 -1.174 3.746 1.00 32.44 C ATOM 1333 C LEU A 84 13.100 -2.578 3.204 1.00 54.14 C ATOM 1334 O LEU A 84 12.721 -3.483 3.945 1.00 33.25 O ATOM 1335 CB LEU A 84 12.278 -0.216 3.224 1.00 54.50 C ATOM 1336 CG LEU A 84 11.882 0.925 4.163 1.00 44.15 C ATOM 1337 CD1 LEU A 84 11.597 2.192 3.372 1.00 51.42 C ATOM 1338 CD2 LEU A 84 10.673 0.533 4.999 1.00 25.43 C ATOM 0 H LEU A 84 14.747 -0.351 2.417 1.00 11.22 H new ATOM 0 HA LEU A 84 13.296 -1.210 4.834 1.00 32.44 H new ATOM 0 HB2 LEU A 84 12.631 0.217 2.288 1.00 54.50 H new ATOM 0 HB3 LEU A 84 11.384 -0.795 2.991 1.00 54.50 H new ATOM 0 HG LEU A 84 12.716 1.121 4.837 1.00 44.15 H new ATOM 0 HD11 LEU A 84 11.317 2.993 4.056 1.00 51.42 H new ATOM 0 HD12 LEU A 84 12.489 2.484 2.818 1.00 51.42 H new ATOM 0 HD13 LEU A 84 10.780 2.009 2.674 1.00 51.42 H new ATOM 0 HD21 LEU A 84 10.406 1.357 5.661 1.00 25.43 H new ATOM 0 HD22 LEU A 84 9.833 0.309 4.341 1.00 25.43 H new ATOM 0 HD23 LEU A 84 10.913 -0.348 5.595 1.00 25.43 H new ATOM 1350 N GLY A 85 13.317 -2.752 1.903 1.00 4.44 N ATOM 1351 CA GLY A 85 13.113 -4.048 1.284 1.00 43.12 C ATOM 1352 C GLY A 85 11.676 -4.266 0.856 1.00 74.10 C ATOM 1353 O GLY A 85 10.810 -4.548 1.685 1.00 71.11 O ATOM 0 H GLY A 85 13.630 -2.018 1.268 1.00 4.44 H new ATOM 0 HA2 GLY A 85 13.765 -4.139 0.416 1.00 43.12 H new ATOM 0 HA3 GLY A 85 13.403 -4.831 1.984 1.00 43.12 H new ATOM 1357 N TYR A 86 11.419 -4.134 -0.441 1.00 25.13 N ATOM 1358 CA TYR A 86 10.076 -4.315 -0.977 1.00 14.34 C ATOM 1359 C TYR A 86 10.059 -5.397 -2.051 1.00 74.34 C ATOM 1360 O TYR A 86 11.092 -5.981 -2.376 1.00 64.52 O ATOM 1361 CB TYR A 86 9.553 -2.998 -1.555 1.00 21.35 C ATOM 1362 CG TYR A 86 9.311 -1.932 -0.510 1.00 62.21 C ATOM 1363 CD1 TYR A 86 10.342 -1.106 -0.080 1.00 41.13 C ATOM 1364 CD2 TYR A 86 8.051 -1.751 0.046 1.00 11.53 C ATOM 1365 CE1 TYR A 86 10.126 -0.131 0.874 1.00 35.23 C ATOM 1366 CE2 TYR A 86 7.825 -0.777 1.000 1.00 32.34 C ATOM 1367 CZ TYR A 86 8.865 0.029 1.411 1.00 3.44 C ATOM 1368 OH TYR A 86 8.645 1.000 2.362 1.00 42.25 O ATOM 0 H TYR A 86 12.124 -3.902 -1.141 1.00 25.13 H new ATOM 0 HA TYR A 86 9.426 -4.629 -0.160 1.00 14.34 H new ATOM 0 HB2 TYR A 86 10.269 -2.622 -2.286 1.00 21.35 H new ATOM 0 HB3 TYR A 86 8.622 -3.189 -2.089 1.00 21.35 H new ATOM 0 HD1 TYR A 86 11.330 -1.228 -0.499 1.00 41.13 H new ATOM 0 HD2 TYR A 86 7.234 -2.382 -0.273 1.00 11.53 H new ATOM 0 HE1 TYR A 86 10.939 0.502 1.198 1.00 35.23 H new ATOM 0 HE2 TYR A 86 6.839 -0.648 1.421 1.00 32.34 H new ATOM 0 HH TYR A 86 7.704 0.982 2.636 1.00 42.25 H new ATOM 1378 N ARG A 87 8.877 -5.659 -2.600 1.00 14.40 N ATOM 1379 CA ARG A 87 8.723 -6.671 -3.638 1.00 2.11 C ATOM 1380 C ARG A 87 7.282 -6.724 -4.137 1.00 20.14 C ATOM 1381 O ARG A 87 6.340 -6.685 -3.345 1.00 42.54 O ATOM 1382 CB ARG A 87 9.142 -8.043 -3.107 1.00 75.44 C ATOM 1383 CG ARG A 87 8.401 -9.200 -3.759 1.00 12.22 C ATOM 1384 CD ARG A 87 7.232 -9.665 -2.904 1.00 42.12 C ATOM 1385 NE ARG A 87 7.674 -10.212 -1.624 1.00 51.01 N ATOM 1386 CZ ARG A 87 6.843 -10.555 -0.646 1.00 24.02 C ATOM 1387 NH1 ARG A 87 5.535 -10.409 -0.801 1.00 12.33 N ATOM 1388 NH2 ARG A 87 7.322 -11.046 0.490 1.00 34.23 N ATOM 0 H ARG A 87 8.012 -5.184 -2.343 1.00 14.40 H new ATOM 0 HA ARG A 87 9.368 -6.400 -4.474 1.00 2.11 H new ATOM 0 HB2 ARG A 87 10.213 -8.173 -3.265 1.00 75.44 H new ATOM 0 HB3 ARG A 87 8.972 -8.074 -2.031 1.00 75.44 H new ATOM 0 HG2 ARG A 87 8.037 -8.894 -4.740 1.00 12.22 H new ATOM 0 HG3 ARG A 87 9.089 -10.030 -3.919 1.00 12.22 H new ATOM 0 HD2 ARG A 87 6.557 -8.828 -2.727 1.00 42.12 H new ATOM 0 HD3 ARG A 87 6.665 -10.422 -3.446 1.00 42.12 H new ATOM 0 HE ARG A 87 8.675 -10.337 -1.473 1.00 51.01 H new ATOM 0 HH11 ARG A 87 5.164 -10.032 -1.673 1.00 12.33 H new ATOM 0 HH12 ARG A 87 4.900 -10.673 -0.048 1.00 12.33 H new ATOM 0 HH21 ARG A 87 8.328 -11.160 0.612 1.00 34.23 H new ATOM 0 HH22 ARG A 87 6.684 -11.309 1.241 1.00 34.23 H new ATOM 1402 N GLN A 88 7.120 -6.813 -5.453 1.00 34.43 N ATOM 1403 CA GLN A 88 5.793 -6.871 -6.056 1.00 44.41 C ATOM 1404 C GLN A 88 5.166 -8.247 -5.862 1.00 60.11 C ATOM 1405 O GLN A 88 5.863 -9.225 -5.589 1.00 52.25 O ATOM 1406 CB GLN A 88 5.874 -6.539 -7.547 1.00 73.23 C ATOM 1407 CG GLN A 88 4.672 -5.766 -8.064 1.00 54.52 C ATOM 1408 CD GLN A 88 4.738 -4.289 -7.726 1.00 22.33 C ATOM 1409 OE1 GLN A 88 5.213 -3.907 -6.656 1.00 44.31 O ATOM 1410 NE2 GLN A 88 4.261 -3.450 -8.638 1.00 21.42 N ATOM 0 H GLN A 88 7.890 -6.847 -6.122 1.00 34.43 H new ATOM 0 HA GLN A 88 5.163 -6.133 -5.560 1.00 44.41 H new ATOM 0 HB2 GLN A 88 6.777 -5.957 -7.733 1.00 73.23 H new ATOM 0 HB3 GLN A 88 5.970 -7.466 -8.112 1.00 73.23 H new ATOM 0 HG2 GLN A 88 4.606 -5.885 -9.146 1.00 54.52 H new ATOM 0 HG3 GLN A 88 3.762 -6.191 -7.641 1.00 54.52 H new ATOM 0 HE21 GLN A 88 3.876 -3.811 -9.511 1.00 21.42 H new ATOM 0 HE22 GLN A 88 4.279 -2.445 -8.465 1.00 21.42 H new ATOM 1419 N ASP A 89 3.847 -8.316 -6.004 1.00 40.20 N ATOM 1420 CA ASP A 89 3.125 -9.573 -5.845 1.00 43.01 C ATOM 1421 C ASP A 89 2.031 -9.709 -6.900 1.00 4.34 C ATOM 1422 O ASP A 89 1.990 -8.949 -7.866 1.00 51.22 O ATOM 1423 CB ASP A 89 2.515 -9.662 -4.445 1.00 64.13 C ATOM 1424 CG ASP A 89 1.054 -9.260 -4.424 1.00 11.31 C ATOM 1425 OD1 ASP A 89 0.757 -8.087 -4.734 1.00 23.10 O ATOM 1426 OD2 ASP A 89 0.207 -10.117 -4.096 1.00 72.01 O ATOM 0 H ASP A 89 3.256 -7.516 -6.229 1.00 40.20 H new ATOM 0 HA ASP A 89 3.835 -10.390 -5.976 1.00 43.01 H new ATOM 0 HB2 ASP A 89 2.614 -10.682 -4.073 1.00 64.13 H new ATOM 0 HB3 ASP A 89 3.076 -9.019 -3.766 1.00 64.13 H new ATOM 1431 N ASN A 90 1.148 -10.683 -6.707 1.00 10.34 N ATOM 1432 CA ASN A 90 0.054 -10.919 -7.642 1.00 65.31 C ATOM 1433 C ASN A 90 0.526 -11.753 -8.830 1.00 14.20 C ATOM 1434 O ASN A 90 -0.187 -12.637 -9.302 1.00 62.55 O ATOM 1435 CB ASN A 90 -0.520 -9.589 -8.134 1.00 33.41 C ATOM 1436 CG ASN A 90 -2.036 -9.597 -8.183 1.00 30.33 C ATOM 1437 OD1 ASN A 90 -2.634 -9.551 -9.258 1.00 22.11 O ATOM 1438 ND2 ASN A 90 -2.665 -9.656 -7.015 1.00 11.14 N ATOM 0 H ASN A 90 1.168 -11.322 -5.912 1.00 10.34 H new ATOM 0 HA ASN A 90 -0.726 -11.472 -7.119 1.00 65.31 H new ATOM 0 HB2 ASN A 90 -0.185 -8.786 -7.477 1.00 33.41 H new ATOM 0 HB3 ASN A 90 -0.128 -9.373 -9.128 1.00 33.41 H new ATOM 0 HD21 ASN A 90 -3.685 -9.665 -6.985 1.00 11.14 H new ATOM 0 HD22 ASN A 90 -2.129 -9.693 -6.148 1.00 11.14 H new ATOM 1445 N GLY A 91 1.732 -11.464 -9.308 1.00 3.53 N ATOM 1446 CA GLY A 91 2.278 -12.195 -10.436 1.00 25.22 C ATOM 1447 C GLY A 91 1.277 -12.355 -11.563 1.00 24.14 C ATOM 1448 O GLY A 91 0.665 -13.412 -11.712 1.00 23.14 O ATOM 0 H GLY A 91 2.341 -10.736 -8.934 1.00 3.53 H new ATOM 0 HA2 GLY A 91 3.160 -11.675 -10.809 1.00 25.22 H new ATOM 0 HA3 GLY A 91 2.605 -13.180 -10.103 1.00 25.22 H new ATOM 1452 N GLU A 92 1.109 -11.302 -12.357 1.00 22.32 N ATOM 1453 CA GLU A 92 0.173 -11.331 -13.474 1.00 72.02 C ATOM 1454 C GLU A 92 0.390 -10.135 -14.397 1.00 63.41 C ATOM 1455 O GLU A 92 0.097 -8.996 -14.034 1.00 73.40 O ATOM 1456 CB GLU A 92 -1.268 -11.337 -12.961 1.00 35.34 C ATOM 1457 CG GLU A 92 -2.302 -11.571 -14.050 1.00 2.51 C ATOM 1458 CD GLU A 92 -3.721 -11.340 -13.567 1.00 44.32 C ATOM 1459 OE1 GLU A 92 -4.119 -10.164 -13.436 1.00 13.30 O ATOM 1460 OE2 GLU A 92 -4.432 -12.336 -13.321 1.00 33.00 O ATOM 0 H GLU A 92 1.608 -10.419 -12.247 1.00 22.32 H new ATOM 0 HA GLU A 92 0.353 -12.244 -14.041 1.00 72.02 H new ATOM 0 HB2 GLU A 92 -1.371 -12.112 -12.202 1.00 35.34 H new ATOM 0 HB3 GLU A 92 -1.475 -10.384 -12.474 1.00 35.34 H new ATOM 0 HG2 GLU A 92 -2.096 -10.908 -14.890 1.00 2.51 H new ATOM 0 HG3 GLU A 92 -2.210 -12.592 -14.420 1.00 2.51 H new ATOM 1467 N TRP A 93 0.907 -10.404 -15.591 1.00 13.42 N ATOM 1468 CA TRP A 93 1.164 -9.350 -16.566 1.00 64.21 C ATOM 1469 C TRP A 93 1.014 -9.877 -17.989 1.00 1.00 C ATOM 1470 O TRP A 93 1.820 -10.686 -18.451 1.00 53.33 O ATOM 1471 CB TRP A 93 2.568 -8.775 -16.368 1.00 32.24 C ATOM 1472 CG TRP A 93 2.720 -8.008 -15.089 1.00 51.43 C ATOM 1473 CD1 TRP A 93 2.356 -6.711 -14.864 1.00 43.40 C ATOM 1474 CD2 TRP A 93 3.278 -8.489 -13.862 1.00 13.02 C ATOM 1475 NE1 TRP A 93 2.654 -6.357 -13.570 1.00 45.32 N ATOM 1476 CE2 TRP A 93 3.220 -7.430 -12.934 1.00 73.33 C ATOM 1477 CE3 TRP A 93 3.819 -9.712 -13.455 1.00 55.41 C ATOM 1478 CZ2 TRP A 93 3.683 -7.559 -11.628 1.00 24.41 C ATOM 1479 CZ3 TRP A 93 4.279 -9.838 -12.158 1.00 74.02 C ATOM 1480 CH2 TRP A 93 4.208 -8.768 -11.257 1.00 0.52 C ATOM 0 H TRP A 93 1.156 -11.341 -15.907 1.00 13.42 H new ATOM 0 HA TRP A 93 0.430 -8.559 -16.411 1.00 64.21 H new ATOM 0 HB2 TRP A 93 3.292 -9.590 -16.383 1.00 32.24 H new ATOM 0 HB3 TRP A 93 2.807 -8.121 -17.206 1.00 32.24 H new ATOM 0 HD1 TRP A 93 1.901 -6.059 -15.595 1.00 43.40 H new ATOM 0 HE1 TRP A 93 2.482 -5.443 -13.151 1.00 45.32 H new ATOM 0 HE3 TRP A 93 3.876 -10.543 -14.142 1.00 55.41 H new ATOM 0 HZ2 TRP A 93 3.630 -6.735 -10.932 1.00 24.41 H new ATOM 0 HZ3 TRP A 93 4.701 -10.778 -11.833 1.00 74.02 H new ATOM 0 HH2 TRP A 93 4.575 -8.899 -10.250 1.00 0.52 H new ATOM 1491 N THR A 94 -0.023 -9.414 -18.681 1.00 5.13 N ATOM 1492 CA THR A 94 -0.279 -9.839 -20.051 1.00 24.41 C ATOM 1493 C THR A 94 0.384 -8.900 -21.051 1.00 44.34 C ATOM 1494 O THR A 94 0.309 -7.678 -20.915 1.00 64.43 O ATOM 1495 CB THR A 94 -1.789 -9.903 -20.346 1.00 40.15 C ATOM 1496 OG1 THR A 94 -2.428 -10.809 -19.440 1.00 41.11 O ATOM 1497 CG2 THR A 94 -2.042 -10.348 -21.779 1.00 22.11 C ATOM 0 H THR A 94 -0.699 -8.744 -18.314 1.00 5.13 H new ATOM 0 HA THR A 94 0.147 -10.837 -20.157 1.00 24.41 H new ATOM 0 HB THR A 94 -2.205 -8.904 -20.213 1.00 40.15 H new ATOM 0 HG1 THR A 94 -3.401 -10.724 -19.525 1.00 41.11 H new ATOM 0 HG21 THR A 94 -3.116 -10.386 -21.964 1.00 22.11 H new ATOM 0 HG22 THR A 94 -1.580 -9.640 -22.467 1.00 22.11 H new ATOM 0 HG23 THR A 94 -1.612 -11.338 -21.934 1.00 22.11 H new ATOM 1505 N VAL A 95 1.033 -9.477 -22.058 1.00 4.41 N ATOM 1506 CA VAL A 95 1.708 -8.690 -23.083 1.00 45.12 C ATOM 1507 C VAL A 95 0.724 -7.792 -23.824 1.00 0.22 C ATOM 1508 O VAL A 95 -0.473 -8.072 -23.869 1.00 72.11 O ATOM 1509 CB VAL A 95 2.428 -9.594 -24.102 1.00 34.33 C ATOM 1510 CG1 VAL A 95 3.372 -8.776 -24.969 1.00 61.20 C ATOM 1511 CG2 VAL A 95 3.177 -10.709 -23.388 1.00 30.12 C ATOM 0 H VAL A 95 1.105 -10.486 -22.185 1.00 4.41 H new ATOM 0 HA VAL A 95 2.446 -8.072 -22.572 1.00 45.12 H new ATOM 0 HB VAL A 95 1.680 -10.048 -24.752 1.00 34.33 H new ATOM 0 HG11 VAL A 95 3.871 -9.432 -25.682 1.00 61.20 H new ATOM 0 HG12 VAL A 95 2.805 -8.017 -25.509 1.00 61.20 H new ATOM 0 HG13 VAL A 95 4.117 -8.292 -24.338 1.00 61.20 H new ATOM 0 HG21 VAL A 95 3.680 -11.338 -24.123 1.00 30.12 H new ATOM 0 HG22 VAL A 95 3.916 -10.277 -22.714 1.00 30.12 H new ATOM 0 HG23 VAL A 95 2.472 -11.312 -22.815 1.00 30.12 H new ATOM 1521 N GLU A 96 1.238 -6.711 -24.403 1.00 73.22 N ATOM 1522 CA GLU A 96 0.403 -5.771 -25.142 1.00 34.41 C ATOM 1523 C GLU A 96 1.253 -4.876 -26.039 1.00 21.34 C ATOM 1524 O GLU A 96 0.824 -4.474 -27.119 1.00 72.01 O ATOM 1525 CB GLU A 96 -0.416 -4.913 -24.175 1.00 70.22 C ATOM 1526 CG GLU A 96 -1.557 -5.665 -23.510 1.00 63.22 C ATOM 1527 CD GLU A 96 -2.719 -4.761 -23.149 1.00 74.24 C ATOM 1528 OE1 GLU A 96 -3.384 -4.252 -24.076 1.00 61.02 O ATOM 1529 OE2 GLU A 96 -2.965 -4.563 -21.941 1.00 43.43 O ATOM 0 H GLU A 96 2.227 -6.465 -24.375 1.00 73.22 H new ATOM 0 HA GLU A 96 -0.276 -6.346 -25.771 1.00 34.41 H new ATOM 0 HB2 GLU A 96 0.245 -4.518 -23.404 1.00 70.22 H new ATOM 0 HB3 GLU A 96 -0.822 -4.058 -24.716 1.00 70.22 H new ATOM 0 HG2 GLU A 96 -1.907 -6.451 -24.179 1.00 63.22 H new ATOM 0 HG3 GLU A 96 -1.188 -6.154 -22.608 1.00 63.22 H new ATOM 1536 N GLY A 97 2.463 -4.568 -25.581 1.00 12.12 N ATOM 1537 CA GLY A 97 3.355 -3.722 -26.352 1.00 74.25 C ATOM 1538 C GLY A 97 4.444 -4.512 -27.050 1.00 30.41 C ATOM 1539 O GLY A 97 4.411 -5.743 -27.072 1.00 3.03 O ATOM 0 H GLY A 97 2.841 -4.889 -24.690 1.00 12.12 H new ATOM 0 HA2 GLY A 97 2.777 -3.171 -27.094 1.00 74.25 H new ATOM 0 HA3 GLY A 97 3.812 -2.984 -25.692 1.00 74.25 H new ATOM 1543 N PHE A 98 5.411 -3.805 -27.623 1.00 45.53 N ATOM 1544 CA PHE A 98 6.515 -4.448 -28.328 1.00 14.43 C ATOM 1545 C PHE A 98 7.779 -3.598 -28.249 1.00 4.41 C ATOM 1546 O PHE A 98 7.737 -2.438 -27.837 1.00 61.05 O ATOM 1547 CB PHE A 98 6.140 -4.691 -29.791 1.00 44.12 C ATOM 1548 CG PHE A 98 6.069 -6.146 -30.158 1.00 2.31 C ATOM 1549 CD1 PHE A 98 7.226 -6.891 -30.318 1.00 3.11 C ATOM 1550 CD2 PHE A 98 4.845 -6.768 -30.343 1.00 41.10 C ATOM 1551 CE1 PHE A 98 7.164 -8.230 -30.655 1.00 3.01 C ATOM 1552 CE2 PHE A 98 4.777 -8.107 -30.680 1.00 11.44 C ATOM 1553 CZ PHE A 98 5.938 -8.838 -30.837 1.00 31.20 C ATOM 0 H PHE A 98 5.454 -2.786 -27.614 1.00 45.53 H new ATOM 0 HA PHE A 98 6.713 -5.406 -27.847 1.00 14.43 H new ATOM 0 HB2 PHE A 98 5.175 -4.226 -29.992 1.00 44.12 H new ATOM 0 HB3 PHE A 98 6.871 -4.198 -30.432 1.00 44.12 H new ATOM 0 HD1 PHE A 98 8.188 -6.420 -30.178 1.00 3.11 H new ATOM 0 HD2 PHE A 98 3.934 -6.201 -30.223 1.00 41.10 H new ATOM 0 HE1 PHE A 98 8.073 -8.800 -30.776 1.00 3.01 H new ATOM 0 HE2 PHE A 98 3.817 -8.581 -30.820 1.00 11.44 H new ATOM 0 HZ PHE A 98 5.887 -9.884 -31.102 1.00 31.20 H new ATOM 1563 N VAL A 99 8.905 -4.183 -28.646 1.00 34.41 N ATOM 1564 CA VAL A 99 10.182 -3.481 -28.621 1.00 61.13 C ATOM 1565 C VAL A 99 11.246 -4.247 -29.400 1.00 34.32 C ATOM 1566 O VAL A 99 11.000 -5.353 -29.882 1.00 25.54 O ATOM 1567 CB VAL A 99 10.675 -3.263 -27.178 1.00 61.24 C ATOM 1568 CG1 VAL A 99 10.474 -1.815 -26.758 1.00 71.31 C ATOM 1569 CG2 VAL A 99 9.961 -4.208 -26.224 1.00 24.24 C ATOM 0 H VAL A 99 8.958 -5.142 -28.989 1.00 34.41 H new ATOM 0 HA VAL A 99 10.019 -2.511 -29.092 1.00 61.13 H new ATOM 0 HB VAL A 99 11.742 -3.482 -27.139 1.00 61.24 H new ATOM 0 HG11 VAL A 99 10.828 -1.680 -25.736 1.00 71.31 H new ATOM 0 HG12 VAL A 99 11.035 -1.161 -27.426 1.00 71.31 H new ATOM 0 HG13 VAL A 99 9.414 -1.565 -26.811 1.00 71.31 H new ATOM 0 HG21 VAL A 99 10.321 -4.041 -25.209 1.00 24.24 H new ATOM 0 HG22 VAL A 99 8.888 -4.022 -26.263 1.00 24.24 H new ATOM 0 HG23 VAL A 99 10.162 -5.239 -26.515 1.00 24.24 H new ATOM 1579 N ASP A 100 12.427 -3.652 -29.519 1.00 23.33 N ATOM 1580 CA ASP A 100 13.530 -4.279 -30.238 1.00 22.44 C ATOM 1581 C ASP A 100 14.844 -4.096 -29.485 1.00 1.45 C ATOM 1582 O ASP A 100 15.090 -3.045 -28.894 1.00 15.52 O ATOM 1583 CB ASP A 100 13.649 -3.693 -31.645 1.00 54.12 C ATOM 1584 CG ASP A 100 12.306 -3.584 -32.342 1.00 4.23 C ATOM 1585 OD1 ASP A 100 11.546 -4.574 -32.323 1.00 74.31 O ATOM 1586 OD2 ASP A 100 12.016 -2.508 -32.905 1.00 3.34 O ATOM 0 H ASP A 100 12.646 -2.736 -29.127 1.00 23.33 H new ATOM 0 HA ASP A 100 13.321 -5.346 -30.314 1.00 22.44 H new ATOM 0 HB2 ASP A 100 14.106 -2.705 -31.587 1.00 54.12 H new ATOM 0 HB3 ASP A 100 14.315 -4.318 -32.241 1.00 54.12 H new ATOM 1591 N GLU A 101 15.684 -5.126 -29.510 1.00 10.23 N ATOM 1592 CA GLU A 101 16.972 -5.078 -28.827 1.00 53.44 C ATOM 1593 C GLU A 101 18.050 -4.502 -29.741 1.00 2.13 C ATOM 1594 O GLU A 101 19.116 -5.094 -29.910 1.00 52.40 O ATOM 1595 CB GLU A 101 17.378 -6.476 -28.359 1.00 23.24 C ATOM 1596 CG GLU A 101 18.327 -6.469 -27.172 1.00 1.52 C ATOM 1597 CD GLU A 101 17.818 -5.620 -26.023 1.00 53.31 C ATOM 1598 OE1 GLU A 101 16.597 -5.645 -25.762 1.00 10.21 O ATOM 1599 OE2 GLU A 101 18.641 -4.930 -25.385 1.00 70.33 O ATOM 0 H GLU A 101 15.496 -6.003 -29.995 1.00 10.23 H new ATOM 0 HA GLU A 101 16.871 -4.428 -27.958 1.00 53.44 H new ATOM 0 HB2 GLU A 101 16.481 -7.036 -28.093 1.00 23.24 H new ATOM 0 HB3 GLU A 101 17.850 -7.005 -29.187 1.00 23.24 H new ATOM 0 HG2 GLU A 101 18.476 -7.491 -26.825 1.00 1.52 H new ATOM 0 HG3 GLU A 101 19.300 -6.096 -27.492 1.00 1.52 H new ATOM 1606 N ALA A 102 17.764 -3.344 -30.327 1.00 44.01 N ATOM 1607 CA ALA A 102 18.709 -2.687 -31.222 1.00 22.13 C ATOM 1608 C ALA A 102 19.360 -1.485 -30.546 1.00 51.22 C ATOM 1609 O ALA A 102 20.311 -0.905 -31.072 1.00 10.13 O ATOM 1610 CB ALA A 102 18.012 -2.260 -32.505 1.00 33.41 C ATOM 0 H ALA A 102 16.886 -2.842 -30.198 1.00 44.01 H new ATOM 0 HA ALA A 102 19.494 -3.402 -31.469 1.00 22.13 H new ATOM 0 HB1 ALA A 102 18.730 -1.771 -33.164 1.00 33.41 H new ATOM 0 HB2 ALA A 102 17.600 -3.137 -33.005 1.00 33.41 H new ATOM 0 HB3 ALA A 102 17.206 -1.566 -32.267 1.00 33.41 H new