USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 933 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 GLN : amide:sc= -0.362 K(o=-0.3,f=-1.8) USER MOD Set 1.2: A 111 LYS NZ :NH3+ -170:sc= 0.0578 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -169:sc= 0.00391 USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= -0.0175 (180deg=-0.0241) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -1.65! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.169 F(o=-1,f=-0.17) USER MOD Single : A 40 ASN : amide:sc= -0.0302 X(o=-0.03,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 43 GLN :FLIP amide:sc= -4.25! C(o=-5.4!,f=-4.2!) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.495 F(o=-1.6,f=-0.5) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -53:sc= 1.17 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.92) USER MOD Single : A 84 HIS : no HD1:sc= -0.395 K(o=-0.39,f=-1.6) USER MOD Single : A 87 TYR OH : rot -43:sc= -2.86! USER MOD Single : A 88 MET CE :methyl 161:sc= -0.272 (180deg=-1.02) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.742 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 73:sc= 0.163 USER MOD Single : A 112 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.59) USER MOD Single : A 115 THR OG1 : rot 114:sc= 1.24 USER MOD Single : A 116 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -1.912 -3.755 -4.712 1.00 74.53 N ATOM 41 CA GLU A 4 -3.065 -3.592 -5.588 1.00 44.43 C ATOM 42 C GLU A 4 -3.863 -4.889 -5.684 1.00 72.00 C ATOM 43 O GLU A 4 -5.079 -4.872 -5.878 1.00 41.22 O ATOM 44 CB GLU A 4 -2.617 -3.152 -6.983 1.00 55.41 C ATOM 45 CG GLU A 4 -2.424 -1.650 -7.115 1.00 51.52 C ATOM 46 CD GLU A 4 -3.674 -0.867 -6.760 1.00 0.52 C ATOM 47 OE1 GLU A 4 -3.856 -0.553 -5.565 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -4.468 -0.571 -7.676 1.00 44.14 O ATOM 0 HA GLU A 4 -3.706 -2.821 -5.161 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -1.681 -3.653 -7.230 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -3.357 -3.480 -7.713 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -1.606 -1.334 -6.467 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -2.130 -1.414 -8.138 1.00 51.52 H new ATOM 55 N LEU A 5 -3.169 -6.014 -5.548 1.00 43.24 N ATOM 56 CA LEU A 5 -3.811 -7.323 -5.620 1.00 13.32 C ATOM 57 C LEU A 5 -4.974 -7.413 -4.637 1.00 63.44 C ATOM 58 O LEU A 5 -5.987 -8.057 -4.915 1.00 51.25 O ATOM 59 CB LEU A 5 -2.794 -8.428 -5.329 1.00 63.32 C ATOM 60 CG LEU A 5 -2.376 -8.586 -3.866 1.00 2.52 C ATOM 61 CD1 LEU A 5 -1.659 -9.911 -3.656 1.00 32.23 C ATOM 62 CD2 LEU A 5 -1.490 -7.425 -3.436 1.00 74.41 C ATOM 0 H LEU A 5 -2.162 -6.046 -5.387 1.00 43.24 H new ATOM 0 HA LEU A 5 -4.202 -7.455 -6.629 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -3.209 -9.376 -5.672 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.900 -8.238 -5.923 1.00 63.32 H new ATOM 0 HG LEU A 5 -3.274 -8.580 -3.249 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -1.369 -10.006 -2.610 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -2.325 -10.731 -3.924 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -0.769 -9.946 -4.284 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.202 -7.554 -2.393 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.596 -7.400 -4.059 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -2.037 -6.489 -3.548 1.00 74.41 H new ATOM 74 N LEU A 6 -4.823 -6.763 -3.488 1.00 10.52 N ATOM 75 CA LEU A 6 -5.861 -6.769 -2.464 1.00 13.21 C ATOM 76 C LEU A 6 -7.203 -6.337 -3.047 1.00 51.12 C ATOM 77 O LEU A 6 -8.195 -7.061 -2.950 1.00 73.12 O ATOM 78 CB LEU A 6 -5.472 -5.843 -1.311 1.00 44.03 C ATOM 79 CG LEU A 6 -4.349 -6.341 -0.400 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.036 -5.310 0.674 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.724 -7.674 0.231 1.00 22.10 C ATOM 0 H LEU A 6 -3.992 -6.225 -3.243 1.00 10.52 H new ATOM 0 HA LEU A 6 -5.960 -7.787 -2.087 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.174 -4.881 -1.728 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.357 -5.665 -0.700 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.455 -6.488 -1.006 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.235 -5.682 1.313 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -3.722 -4.378 0.203 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -4.926 -5.130 1.277 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -3.913 -8.012 0.876 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.632 -7.554 0.822 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -4.896 -8.412 -0.553 1.00 22.10 H new ATOM 93 N ASP A 7 -7.226 -5.156 -3.655 1.00 4.52 N ATOM 94 CA ASP A 7 -8.444 -4.629 -4.257 1.00 25.12 C ATOM 95 C ASP A 7 -8.826 -5.428 -5.499 1.00 33.21 C ATOM 96 O ASP A 7 -10.002 -5.532 -5.845 1.00 24.02 O ATOM 97 CB ASP A 7 -8.264 -3.154 -4.619 1.00 34.32 C ATOM 98 CG ASP A 7 -9.570 -2.385 -4.588 1.00 10.52 C ATOM 99 OD1 ASP A 7 -10.140 -2.228 -3.487 1.00 34.22 O ATOM 100 OD2 ASP A 7 -10.022 -1.941 -5.663 1.00 22.32 O1- ATOM 0 H ASP A 7 -6.414 -4.545 -3.744 1.00 4.52 H new ATOM 0 HA ASP A 7 -9.249 -4.719 -3.527 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -7.560 -2.696 -3.924 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -7.825 -3.078 -5.614 1.00 34.32 H new ATOM 105 N ALA A 8 -7.823 -5.990 -6.167 1.00 74.43 N ATOM 106 CA ALA A 8 -8.053 -6.780 -7.370 1.00 44.45 C ATOM 107 C ALA A 8 -9.043 -7.909 -7.104 1.00 72.11 C ATOM 108 O ALA A 8 -10.014 -8.083 -7.841 1.00 71.43 O ATOM 109 CB ALA A 8 -6.739 -7.340 -7.893 1.00 72.11 C ATOM 0 H ALA A 8 -6.843 -5.912 -5.895 1.00 74.43 H new ATOM 0 HA ALA A 8 -8.483 -6.125 -8.128 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -6.926 -7.928 -8.792 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -6.063 -6.519 -8.131 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.286 -7.975 -7.132 1.00 72.11 H new ATOM 115 N LEU A 9 -8.790 -8.675 -6.048 1.00 65.10 N ATOM 116 CA LEU A 9 -9.659 -9.789 -5.685 1.00 30.43 C ATOM 117 C LEU A 9 -11.096 -9.316 -5.487 1.00 2.51 C ATOM 118 O LEU A 9 -12.033 -9.900 -6.033 1.00 14.11 O ATOM 119 CB LEU A 9 -9.151 -10.462 -4.408 1.00 54.45 C ATOM 120 CG LEU A 9 -7.669 -10.837 -4.392 1.00 52.20 C ATOM 121 CD1 LEU A 9 -7.099 -10.699 -2.989 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.473 -12.255 -4.911 1.00 32.24 C ATOM 0 H LEU A 9 -7.990 -8.545 -5.428 1.00 65.10 H new ATOM 0 HA LEU A 9 -9.643 -10.512 -6.501 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.346 -9.796 -3.568 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -9.736 -11.366 -4.240 1.00 54.45 H new ATOM 0 HG LEU A 9 -7.133 -10.152 -5.049 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -6.043 -10.970 -2.997 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -7.206 -9.668 -2.652 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -7.638 -11.360 -2.311 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.412 -12.506 -4.893 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -8.022 -12.953 -4.279 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -7.844 -12.323 -5.934 1.00 32.24 H new ATOM 134 N THR A 10 -11.262 -8.255 -4.705 1.00 42.42 N ATOM 135 CA THR A 10 -12.585 -7.703 -4.437 1.00 45.22 C ATOM 136 C THR A 10 -13.349 -7.451 -5.731 1.00 33.22 C ATOM 137 O THR A 10 -14.530 -7.781 -5.841 1.00 71.53 O ATOM 138 CB THR A 10 -12.493 -6.386 -3.643 1.00 10.42 C ATOM 139 OG1 THR A 10 -11.827 -6.611 -2.396 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.879 -5.812 -3.386 1.00 62.04 C ATOM 0 H THR A 10 -10.497 -7.760 -4.246 1.00 42.42 H new ATOM 0 HA THR A 10 -13.121 -8.442 -3.841 1.00 45.22 H new ATOM 0 HB THR A 10 -11.923 -5.670 -4.235 1.00 10.42 H new ATOM 0 HG1 THR A 10 -11.771 -5.769 -1.898 1.00 72.25 H new ATOM 0 HG21 THR A 10 -13.789 -4.882 -2.824 1.00 62.04 H new ATOM 0 HG22 THR A 10 -14.373 -5.615 -4.337 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.468 -6.527 -2.812 1.00 62.04 H new ATOM 148 N ILE A 11 -12.668 -6.865 -6.710 1.00 32.10 N ATOM 149 CA ILE A 11 -13.283 -6.570 -7.999 1.00 21.23 C ATOM 150 C ILE A 11 -13.899 -7.822 -8.612 1.00 62.33 C ATOM 151 O ILE A 11 -14.947 -7.758 -9.258 1.00 65.32 O ATOM 152 CB ILE A 11 -12.261 -5.978 -8.988 1.00 71.24 C ATOM 153 CG1 ILE A 11 -11.669 -4.682 -8.428 1.00 53.43 C ATOM 154 CG2 ILE A 11 -12.916 -5.728 -10.339 1.00 64.41 C ATOM 155 CD1 ILE A 11 -10.257 -4.410 -8.897 1.00 14.01 C ATOM 0 H ILE A 11 -11.690 -6.585 -6.635 1.00 32.10 H new ATOM 0 HA ILE A 11 -14.066 -5.835 -7.815 1.00 21.23 H new ATOM 0 HB ILE A 11 -11.452 -6.695 -9.126 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -12.306 -3.846 -8.717 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -11.679 -4.729 -7.339 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -12.182 -5.310 -11.027 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -13.294 -6.668 -10.739 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -13.742 -5.027 -10.219 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -9.902 -3.476 -8.461 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -9.606 -5.227 -8.585 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -10.244 -4.331 -9.984 1.00 14.01 H new ATOM 167 N LEU A 12 -13.246 -8.959 -8.405 1.00 75.15 N ATOM 168 CA LEU A 12 -13.731 -10.229 -8.936 1.00 35.45 C ATOM 169 C LEU A 12 -14.954 -10.711 -8.163 1.00 52.41 C ATOM 170 O LEU A 12 -15.816 -11.398 -8.711 1.00 23.30 O ATOM 171 CB LEU A 12 -12.627 -11.285 -8.876 1.00 52.11 C ATOM 172 CG LEU A 12 -11.227 -10.817 -9.277 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.251 -11.983 -9.267 1.00 0.53 C ATOM 174 CD2 LEU A 12 -11.258 -10.157 -10.648 1.00 60.44 C ATOM 0 H LEU A 12 -12.379 -9.029 -7.873 1.00 75.15 H new ATOM 0 HA LEU A 12 -14.019 -10.073 -9.976 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -12.580 -11.675 -7.859 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -12.910 -12.115 -9.524 1.00 52.11 H new ATOM 0 HG LEU A 12 -10.888 -10.080 -8.548 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.260 -11.631 -9.555 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.207 -12.412 -8.266 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -10.585 -12.743 -9.973 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -10.254 -9.830 -10.917 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -11.618 -10.872 -11.388 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -11.925 -9.295 -10.622 1.00 60.44 H new ATOM 186 N GLU A 13 -15.024 -10.344 -6.887 1.00 2.20 N ATOM 187 CA GLU A 13 -16.143 -10.737 -6.039 1.00 73.44 C ATOM 188 C GLU A 13 -17.464 -10.235 -6.614 1.00 24.32 C ATOM 189 O GLU A 13 -18.517 -10.835 -6.398 1.00 32.15 O ATOM 190 CB GLU A 13 -15.952 -10.197 -4.621 1.00 53.14 C ATOM 191 CG GLU A 13 -16.660 -11.017 -3.556 1.00 32.32 C ATOM 192 CD GLU A 13 -16.917 -10.229 -2.287 1.00 22.03 C ATOM 193 OE1 GLU A 13 -17.022 -8.988 -2.372 1.00 5.24 O ATOM 194 OE2 GLU A 13 -17.015 -10.853 -1.210 1.00 34.44 O1- ATOM 0 H GLU A 13 -14.319 -9.775 -6.418 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.173 -11.826 -6.003 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -14.886 -10.165 -4.394 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -16.317 -9.171 -4.580 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -17.609 -11.379 -3.953 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -16.058 -11.894 -3.319 1.00 32.32 H new ATOM 201 N LYS A 14 -17.401 -9.128 -7.346 1.00 41.41 N ATOM 202 CA LYS A 14 -18.590 -8.543 -7.953 1.00 53.15 C ATOM 203 C LYS A 14 -19.185 -9.481 -8.998 1.00 32.03 C ATOM 204 O LYS A 14 -20.398 -9.501 -9.208 1.00 33.02 O ATOM 205 CB LYS A 14 -18.250 -7.197 -8.597 1.00 52.04 C ATOM 206 CG LYS A 14 -19.471 -6.366 -8.951 1.00 23.23 C ATOM 207 CD LYS A 14 -19.110 -5.207 -9.865 1.00 74.34 C ATOM 208 CE LYS A 14 -18.685 -3.981 -9.070 1.00 0.54 C ATOM 209 NZ LYS A 14 -18.111 -2.924 -9.947 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.538 -8.618 -7.533 1.00 41.41 H new ATOM 0 HA LYS A 14 -19.329 -8.387 -7.167 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -17.618 -6.627 -7.916 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -17.666 -7.373 -9.501 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -20.213 -6.998 -9.439 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -19.928 -5.983 -8.039 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -18.302 -5.507 -10.533 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -19.966 -4.957 -10.492 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -19.545 -3.580 -8.533 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -17.948 -4.271 -8.321 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -17.834 -2.106 -9.368 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -17.275 -3.298 -10.440 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -18.822 -2.629 -10.646 1.00 44.11 H new ATOM 223 N GLU A 15 -18.324 -10.257 -9.649 1.00 31.13 N ATOM 224 CA GLU A 15 -18.768 -11.198 -10.671 1.00 10.21 C ATOM 225 C GLU A 15 -19.779 -12.187 -10.099 1.00 74.31 C ATOM 226 O GLU A 15 -20.104 -12.144 -8.912 1.00 23.34 O ATOM 227 CB GLU A 15 -17.572 -11.955 -11.253 1.00 45.25 C ATOM 228 CG GLU A 15 -16.662 -11.090 -12.107 1.00 55.15 C ATOM 229 CD GLU A 15 -17.424 -10.287 -13.143 1.00 24.20 C ATOM 230 OE1 GLU A 15 -17.901 -9.184 -12.804 1.00 1.53 O ATOM 231 OE2 GLU A 15 -17.545 -10.761 -14.292 1.00 50.25 O1- ATOM 0 H GLU A 15 -17.317 -10.253 -9.487 1.00 31.13 H new ATOM 0 HA GLU A 15 -19.251 -10.629 -11.465 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -16.991 -12.383 -10.436 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -17.937 -12.788 -11.854 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -16.105 -10.409 -11.463 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -15.931 -11.724 -12.609 1.00 55.15 H new ATOM 238 N LYS A 16 -20.275 -13.078 -10.951 1.00 54.02 N ATOM 239 CA LYS A 16 -21.249 -14.078 -10.533 1.00 15.32 C ATOM 240 C LYS A 16 -20.680 -15.486 -10.679 1.00 60.10 C ATOM 241 O LYS A 16 -20.341 -15.918 -11.780 1.00 20.10 O ATOM 242 CB LYS A 16 -22.532 -13.947 -11.358 1.00 20.41 C ATOM 243 CG LYS A 16 -23.514 -15.085 -11.140 1.00 32.52 C ATOM 244 CD LYS A 16 -24.005 -15.131 -9.702 1.00 20.11 C ATOM 245 CE LYS A 16 -25.006 -14.022 -9.420 1.00 73.12 C ATOM 246 NZ LYS A 16 -25.139 -13.753 -7.961 1.00 30.23 N1+ ATOM 0 H LYS A 16 -20.018 -13.127 -11.937 1.00 54.02 H new ATOM 0 HA LYS A 16 -21.481 -13.906 -9.482 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -23.020 -13.005 -11.109 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -22.271 -13.901 -12.415 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -24.364 -14.967 -11.812 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -23.037 -16.032 -11.393 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -24.467 -16.098 -9.505 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -23.157 -15.038 -9.024 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -24.692 -13.111 -9.930 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -25.978 -14.298 -9.829 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -25.830 -12.991 -7.810 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -25.463 -14.615 -7.477 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -24.217 -13.465 -7.576 1.00 30.23 H new ATOM 260 N GLY A 17 -20.580 -16.198 -9.561 1.00 53.14 N ATOM 261 CA GLY A 17 -20.053 -17.550 -9.586 1.00 1.24 C ATOM 262 C GLY A 17 -18.539 -17.581 -9.654 1.00 24.31 C ATOM 263 O GLY A 17 -17.944 -18.624 -9.924 1.00 30.33 O ATOM 0 H GLY A 17 -20.855 -15.863 -8.638 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -20.385 -18.082 -8.695 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -20.463 -18.081 -10.445 1.00 1.24 H new ATOM 267 N ILE A 18 -17.914 -16.434 -9.411 1.00 51.44 N ATOM 268 CA ILE A 18 -16.460 -16.334 -9.447 1.00 32.50 C ATOM 269 C ILE A 18 -15.905 -15.908 -8.093 1.00 3.32 C ATOM 270 O ILE A 18 -15.289 -14.849 -7.967 1.00 25.41 O ATOM 271 CB ILE A 18 -15.990 -15.333 -10.520 1.00 45.15 C ATOM 272 CG1 ILE A 18 -16.714 -15.593 -11.843 1.00 2.33 C ATOM 273 CG2 ILE A 18 -14.483 -15.425 -10.706 1.00 34.32 C ATOM 274 CD1 ILE A 18 -16.336 -14.621 -12.939 1.00 3.12 C ATOM 0 H ILE A 18 -18.392 -15.561 -9.187 1.00 51.44 H new ATOM 0 HA ILE A 18 -16.082 -17.325 -9.697 1.00 32.50 H new ATOM 0 HB ILE A 18 -16.234 -14.324 -10.187 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -16.493 -16.607 -12.176 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -17.790 -15.540 -11.676 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -14.166 -14.712 -11.467 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -13.985 -15.195 -9.764 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -14.216 -16.434 -11.021 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -16.887 -14.865 -13.847 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -16.583 -13.606 -12.626 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -15.266 -14.691 -13.134 1.00 3.12 H new ATOM 286 N SER A 19 -16.125 -16.741 -7.080 1.00 72.20 N ATOM 287 CA SER A 19 -15.649 -16.449 -5.733 1.00 5.03 C ATOM 288 C SER A 19 -14.160 -16.116 -5.744 1.00 10.11 C ATOM 289 O SER A 19 -13.352 -16.846 -6.319 1.00 55.41 O ATOM 290 CB SER A 19 -15.909 -17.641 -4.808 1.00 70.31 C ATOM 291 OG SER A 19 -17.290 -17.961 -4.766 1.00 12.11 O ATOM 0 H SER A 19 -16.630 -17.623 -7.167 1.00 72.20 H new ATOM 0 HA SER A 19 -16.195 -15.582 -5.361 1.00 5.03 H new ATOM 0 HB2 SER A 19 -15.342 -18.505 -5.155 1.00 70.31 H new ATOM 0 HB3 SER A 19 -15.555 -17.410 -3.803 1.00 70.31 H new ATOM 0 HG SER A 19 -17.456 -18.599 -4.041 1.00 12.11 H new ATOM 297 N LYS A 20 -13.804 -15.007 -5.104 1.00 21.45 N ATOM 298 CA LYS A 20 -12.413 -14.575 -5.036 1.00 74.43 C ATOM 299 C LYS A 20 -11.596 -15.508 -4.148 1.00 44.01 C ATOM 300 O LYS A 20 -10.368 -15.539 -4.231 1.00 62.25 O ATOM 301 CB LYS A 20 -12.328 -13.143 -4.505 1.00 25.14 C ATOM 302 CG LYS A 20 -12.980 -12.959 -3.145 1.00 31.04 C ATOM 303 CD LYS A 20 -11.965 -12.550 -2.091 1.00 45.33 C ATOM 304 CE LYS A 20 -11.758 -11.043 -2.071 1.00 73.32 C ATOM 305 NZ LYS A 20 -10.527 -10.662 -1.323 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.460 -14.391 -4.625 1.00 21.45 H new ATOM 0 HA LYS A 20 -11.999 -14.607 -6.044 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.280 -12.851 -4.439 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -12.802 -12.471 -5.220 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -13.760 -12.201 -3.214 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -13.464 -13.888 -2.844 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -12.302 -12.885 -1.110 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -11.015 -13.046 -2.288 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -11.691 -10.672 -3.094 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -12.624 -10.564 -1.614 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -10.375 -9.636 -1.404 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -10.636 -10.918 -0.321 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -9.709 -11.165 -1.722 1.00 24.23 H new ATOM 319 N GLU A 21 -12.285 -16.266 -3.300 1.00 64.52 N ATOM 320 CA GLU A 21 -11.621 -17.199 -2.398 1.00 11.33 C ATOM 321 C GLU A 21 -10.702 -18.142 -3.170 1.00 34.03 C ATOM 322 O GLU A 21 -9.618 -18.488 -2.704 1.00 42.53 O ATOM 323 CB GLU A 21 -12.656 -18.007 -1.612 1.00 34.13 C ATOM 324 CG GLU A 21 -13.635 -18.763 -2.495 1.00 74.01 C ATOM 325 CD GLU A 21 -14.982 -18.971 -1.828 1.00 20.11 C ATOM 326 OE1 GLU A 21 -15.116 -18.615 -0.639 1.00 42.41 O1- ATOM 327 OE2 GLU A 21 -15.900 -19.487 -2.498 1.00 12.41 O ATOM 0 H GLU A 21 -13.302 -16.252 -3.219 1.00 64.52 H new ATOM 0 HA GLU A 21 -11.016 -16.621 -1.700 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -12.137 -18.717 -0.968 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -13.213 -17.333 -0.961 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -13.776 -18.215 -3.427 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -13.210 -19.732 -2.756 1.00 74.01 H new ATOM 334 N ILE A 22 -11.147 -18.554 -4.353 1.00 11.12 N ATOM 335 CA ILE A 22 -10.365 -19.457 -5.189 1.00 52.11 C ATOM 336 C ILE A 22 -9.252 -18.709 -5.913 1.00 5.14 C ATOM 337 O ILE A 22 -8.231 -19.295 -6.278 1.00 62.02 O ATOM 338 CB ILE A 22 -11.251 -20.169 -6.229 1.00 23.14 C ATOM 339 CG1 ILE A 22 -12.357 -20.962 -5.531 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.408 -21.083 -7.106 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.747 -20.439 -5.816 1.00 40.42 C ATOM 0 H ILE A 22 -12.043 -18.277 -4.753 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.927 -20.202 -4.526 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.716 -19.416 -6.865 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -12.298 -22.004 -5.844 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -12.184 -20.942 -4.455 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -11.048 -21.579 -7.836 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.653 -20.493 -7.627 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -9.918 -21.833 -6.485 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -14.480 -21.049 -5.289 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.824 -19.406 -5.477 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -13.940 -20.485 -6.888 1.00 40.42 H new ATOM 353 N ILE A 23 -9.453 -17.411 -6.118 1.00 13.43 N ATOM 354 CA ILE A 23 -8.465 -16.583 -6.796 1.00 72.34 C ATOM 355 C ILE A 23 -7.165 -16.516 -6.000 1.00 55.40 C ATOM 356 O ILE A 23 -6.074 -16.598 -6.567 1.00 31.34 O ATOM 357 CB ILE A 23 -8.989 -15.153 -7.023 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.264 -15.181 -7.867 1.00 1.43 C ATOM 359 CG2 ILE A 23 -7.923 -14.297 -7.691 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.044 -15.687 -9.276 1.00 34.01 C ATOM 0 H ILE A 23 -10.292 -16.911 -5.824 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.273 -17.048 -7.763 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.227 -14.712 -6.055 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -11.003 -15.813 -7.374 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.683 -14.176 -7.912 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.309 -13.289 -7.845 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.039 -14.254 -7.054 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.656 -14.734 -8.653 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -10.990 -15.680 -9.817 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.329 -15.042 -9.787 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.654 -16.704 -9.241 1.00 34.01 H new ATOM 372 N ILE A 24 -7.290 -16.367 -4.687 1.00 51.31 N ATOM 373 CA ILE A 24 -6.124 -16.292 -3.813 1.00 74.21 C ATOM 374 C ILE A 24 -5.193 -17.479 -4.036 1.00 44.54 C ATOM 375 O ILE A 24 -3.973 -17.347 -3.952 1.00 32.23 O ATOM 376 CB ILE A 24 -6.536 -16.248 -2.329 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.359 -14.991 -2.043 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.304 -16.296 -1.437 1.00 1.24 C ATOM 379 CD1 ILE A 24 -8.816 -15.274 -1.756 1.00 31.23 C ATOM 0 H ILE A 24 -8.185 -16.296 -4.204 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.599 -15.370 -4.064 1.00 74.21 H new ATOM 0 HB ILE A 24 -7.153 -17.120 -2.112 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -6.924 -14.468 -1.191 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.290 -14.319 -2.898 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.610 -16.264 -0.391 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.754 -17.218 -1.626 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -4.664 -15.441 -1.654 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.337 -14.337 -1.562 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.267 -15.769 -2.616 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -8.896 -15.921 -0.882 1.00 31.23 H new ATOM 391 N GLU A 25 -5.779 -18.639 -4.321 1.00 72.53 N ATOM 392 CA GLU A 25 -5.000 -19.849 -4.557 1.00 43.13 C ATOM 393 C GLU A 25 -4.216 -19.746 -5.862 1.00 2.50 C ATOM 394 O GLU A 25 -3.150 -20.343 -6.006 1.00 34.42 O ATOM 395 CB GLU A 25 -5.918 -21.073 -4.595 1.00 73.04 C ATOM 396 CG GLU A 25 -6.893 -21.140 -3.432 1.00 44.41 C ATOM 397 CD GLU A 25 -7.684 -22.433 -3.407 1.00 73.01 C ATOM 398 OE1 GLU A 25 -8.099 -22.895 -4.491 1.00 32.20 O ATOM 399 OE2 GLU A 25 -7.888 -22.983 -2.305 1.00 21.12 O1- ATOM 0 H GLU A 25 -6.788 -18.766 -4.394 1.00 72.53 H new ATOM 0 HA GLU A 25 -4.291 -19.960 -3.736 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.480 -21.066 -5.529 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -5.306 -21.975 -4.598 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -6.344 -21.036 -2.496 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.582 -20.298 -3.492 1.00 44.41 H new ATOM 406 N ALA A 26 -4.753 -18.984 -6.809 1.00 1.41 N ATOM 407 CA ALA A 26 -4.104 -18.801 -8.102 1.00 44.13 C ATOM 408 C ALA A 26 -2.808 -18.010 -7.958 1.00 13.13 C ATOM 409 O ALA A 26 -1.758 -18.428 -8.445 1.00 24.00 O ATOM 410 CB ALA A 26 -5.047 -18.104 -9.071 1.00 14.40 C ATOM 0 H ALA A 26 -5.636 -18.483 -6.705 1.00 1.41 H new ATOM 0 HA ALA A 26 -3.855 -19.785 -8.500 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.550 -17.974 -10.032 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -5.943 -18.709 -9.205 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.324 -17.129 -8.671 1.00 14.40 H new ATOM 416 N ILE A 27 -2.891 -16.865 -7.288 1.00 44.10 N ATOM 417 CA ILE A 27 -1.725 -16.016 -7.081 1.00 13.45 C ATOM 418 C ILE A 27 -0.650 -16.745 -6.282 1.00 13.44 C ATOM 419 O ILE A 27 0.512 -16.790 -6.685 1.00 54.42 O ATOM 420 CB ILE A 27 -2.099 -14.714 -6.348 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.080 -13.895 -7.189 1.00 25.54 C ATOM 422 CG2 ILE A 27 -0.850 -13.902 -6.041 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.531 -14.165 -6.858 1.00 74.33 C ATOM 0 H ILE A 27 -3.753 -16.505 -6.880 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.336 -15.768 -8.068 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.583 -14.970 -5.405 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -2.874 -12.835 -7.043 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -2.910 -14.111 -8.244 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -1.130 -12.985 -5.523 1.00 13.51 H new ATOM 0 HG22 ILE A 27 -0.182 -14.487 -5.408 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.341 -13.652 -6.972 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.169 -13.550 -7.492 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.754 -15.218 -7.031 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.717 -13.922 -5.812 1.00 74.33 H new ATOM 435 N GLU A 28 -1.046 -17.314 -5.149 1.00 54.21 N ATOM 436 CA GLU A 28 -0.116 -18.042 -4.294 1.00 54.51 C ATOM 437 C GLU A 28 0.632 -19.110 -5.087 1.00 43.41 C ATOM 438 O GLU A 28 1.840 -19.282 -4.932 1.00 43.02 O ATOM 439 CB GLU A 28 -0.861 -18.690 -3.125 1.00 64.12 C ATOM 440 CG GLU A 28 -1.388 -17.689 -2.109 1.00 40.22 C ATOM 441 CD GLU A 28 -2.562 -18.227 -1.315 1.00 51.43 C ATOM 442 OE1 GLU A 28 -3.238 -19.152 -1.811 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -2.805 -17.722 -0.198 1.00 63.03 O ATOM 0 H GLU A 28 -2.004 -17.285 -4.801 1.00 54.21 H new ATOM 0 HA GLU A 28 0.609 -17.329 -3.903 1.00 54.51 H new ATOM 0 HB2 GLU A 28 -1.696 -19.273 -3.515 1.00 64.12 H new ATOM 0 HB3 GLU A 28 -0.193 -19.388 -2.621 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -0.586 -17.416 -1.424 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.690 -16.778 -2.625 1.00 40.22 H new ATOM 450 N ALA A 29 -0.097 -19.824 -5.940 1.00 30.04 N ATOM 451 CA ALA A 29 0.496 -20.873 -6.759 1.00 12.54 C ATOM 452 C ALA A 29 1.365 -20.282 -7.865 1.00 13.03 C ATOM 453 O ALA A 29 2.341 -20.893 -8.295 1.00 61.31 O ATOM 454 CB ALA A 29 -0.590 -21.755 -7.355 1.00 31.13 C ATOM 0 H ALA A 29 -1.099 -19.694 -6.081 1.00 30.04 H new ATOM 0 HA ALA A 29 1.133 -21.482 -6.118 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.132 -22.534 -7.964 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.167 -22.214 -6.552 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.250 -21.150 -7.976 1.00 31.13 H new ATOM 460 N ALA A 30 1.001 -19.087 -8.321 1.00 53.23 N ATOM 461 CA ALA A 30 1.747 -18.413 -9.376 1.00 23.45 C ATOM 462 C ALA A 30 3.089 -17.904 -8.860 1.00 61.02 C ATOM 463 O ALA A 30 4.120 -18.072 -9.511 1.00 51.44 O ATOM 464 CB ALA A 30 0.930 -17.264 -9.949 1.00 32.41 C ATOM 0 H ALA A 30 0.194 -18.567 -7.976 1.00 53.23 H new ATOM 0 HA ALA A 30 1.942 -19.136 -10.168 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.500 -16.770 -10.736 1.00 32.41 H new ATOM 0 HB2 ALA A 30 -0.001 -17.651 -10.363 1.00 32.41 H new ATOM 0 HB3 ALA A 30 0.706 -16.548 -9.159 1.00 32.41 H new ATOM 470 N LEU A 31 3.069 -17.280 -7.686 1.00 5.35 N ATOM 471 CA LEU A 31 4.284 -16.746 -7.082 1.00 1.23 C ATOM 472 C LEU A 31 5.289 -17.860 -6.805 1.00 21.11 C ATOM 473 O LEU A 31 6.453 -17.770 -7.198 1.00 34.51 O ATOM 474 CB LEU A 31 3.951 -16.010 -5.784 1.00 45.33 C ATOM 475 CG LEU A 31 3.660 -14.514 -5.916 1.00 33.31 C ATOM 476 CD1 LEU A 31 4.858 -13.789 -6.510 1.00 53.12 C ATOM 477 CD2 LEU A 31 2.419 -14.285 -6.766 1.00 43.31 C ATOM 0 H LEU A 31 2.224 -17.132 -7.134 1.00 5.35 H new ATOM 0 HA LEU A 31 4.732 -16.044 -7.785 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.084 -16.490 -5.330 1.00 45.33 H new ATOM 0 HB3 LEU A 31 4.784 -16.138 -5.093 1.00 45.33 H new ATOM 0 HG LEU A 31 3.473 -14.110 -4.921 1.00 33.31 H new ATOM 0 HD11 LEU A 31 4.634 -12.726 -6.597 1.00 53.12 H new ATOM 0 HD12 LEU A 31 5.724 -13.925 -5.862 1.00 53.12 H new ATOM 0 HD13 LEU A 31 5.076 -14.196 -7.497 1.00 53.12 H new ATOM 0 HD21 LEU A 31 2.227 -13.215 -6.849 1.00 43.31 H new ATOM 0 HD22 LEU A 31 2.576 -14.704 -7.760 1.00 43.31 H new ATOM 0 HD23 LEU A 31 1.563 -14.772 -6.299 1.00 43.31 H new ATOM 489 N ILE A 32 4.831 -18.908 -6.130 1.00 24.45 N ATOM 490 CA ILE A 32 5.691 -20.039 -5.804 1.00 71.03 C ATOM 491 C ILE A 32 6.296 -20.650 -7.063 1.00 24.23 C ATOM 492 O ILE A 32 7.471 -21.015 -7.085 1.00 63.05 O ATOM 493 CB ILE A 32 4.918 -21.130 -5.037 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.826 -22.331 -4.763 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.687 -21.558 -5.823 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.448 -23.101 -3.517 1.00 4.22 C ATOM 0 H ILE A 32 3.871 -18.998 -5.798 1.00 24.45 H new ATOM 0 HA ILE A 32 6.490 -19.656 -5.169 1.00 71.03 H new ATOM 0 HB ILE A 32 4.591 -20.720 -4.082 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.794 -23.004 -5.620 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.855 -21.984 -4.668 1.00 22.33 H new ATOM 0 HG21 ILE A 32 3.151 -22.329 -5.269 1.00 41.15 H new ATOM 0 HG22 ILE A 32 3.034 -20.698 -5.973 1.00 41.15 H new ATOM 0 HG23 ILE A 32 3.993 -21.954 -6.791 1.00 41.15 H new ATOM 0 HD11 ILE A 32 6.133 -23.938 -3.385 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.508 -22.443 -2.650 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.430 -23.478 -3.617 1.00 4.22 H new ATOM 508 N SER A 33 5.485 -20.759 -8.110 1.00 23.51 N ATOM 509 CA SER A 33 5.941 -21.328 -9.373 1.00 62.33 C ATOM 510 C SER A 33 7.027 -20.459 -10.000 1.00 1.44 C ATOM 511 O SER A 33 8.073 -20.958 -10.415 1.00 2.10 O ATOM 512 CB SER A 33 4.766 -21.473 -10.343 1.00 3.21 C ATOM 513 OG SER A 33 5.202 -21.390 -11.689 1.00 24.42 O ATOM 0 H SER A 33 4.509 -20.461 -8.109 1.00 23.51 H new ATOM 0 HA SER A 33 6.361 -22.313 -9.169 1.00 62.33 H new ATOM 0 HB2 SER A 33 4.269 -22.429 -10.177 1.00 3.21 H new ATOM 0 HB3 SER A 33 4.030 -20.693 -10.147 1.00 3.21 H new ATOM 0 HG SER A 33 4.433 -21.487 -12.289 1.00 24.42 H new ATOM 519 N ALA A 34 6.771 -19.156 -10.064 1.00 22.53 N ATOM 520 CA ALA A 34 7.727 -18.218 -10.637 1.00 1.34 C ATOM 521 C ALA A 34 9.099 -18.365 -9.988 1.00 52.14 C ATOM 522 O ALA A 34 10.120 -18.414 -10.674 1.00 62.24 O ATOM 523 CB ALA A 34 7.221 -16.791 -10.487 1.00 23.24 C ATOM 0 H ALA A 34 5.910 -18.727 -9.726 1.00 22.53 H new ATOM 0 HA ALA A 34 7.830 -18.446 -11.698 1.00 1.34 H new ATOM 0 HB1 ALA A 34 7.945 -16.101 -10.919 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.267 -16.687 -11.004 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.088 -16.562 -9.430 1.00 23.24 H new ATOM 529 N TYR A 35 9.116 -18.435 -8.661 1.00 60.44 N ATOM 530 CA TYR A 35 10.363 -18.574 -7.919 1.00 42.44 C ATOM 531 C TYR A 35 10.894 -20.002 -8.009 1.00 40.45 C ATOM 532 O TYR A 35 12.094 -20.240 -7.872 1.00 13.24 O ATOM 533 CB TYR A 35 10.154 -18.187 -6.454 1.00 14.41 C ATOM 534 CG TYR A 35 11.375 -18.409 -5.589 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.621 -19.647 -5.007 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.280 -17.382 -5.353 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.734 -19.854 -4.216 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.396 -17.581 -4.565 1.00 13.02 C ATOM 539 CZ TYR A 35 13.619 -18.819 -3.999 1.00 1.20 C ATOM 540 OH TYR A 35 14.730 -19.020 -3.211 1.00 72.42 O ATOM 0 H TYR A 35 8.280 -18.398 -8.078 1.00 60.44 H new ATOM 0 HA TYR A 35 11.098 -17.904 -8.364 1.00 42.44 H new ATOM 0 HB2 TYR A 35 9.868 -17.136 -6.402 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.323 -18.764 -6.049 1.00 14.41 H new ATOM 0 HD1 TYR A 35 10.931 -20.460 -5.176 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.108 -16.411 -5.794 1.00 31.21 H new ATOM 0 HE1 TYR A 35 12.910 -20.822 -3.770 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.090 -16.772 -4.393 1.00 13.02 H new ATOM 0 HH TYR A 35 15.250 -18.191 -3.161 1.00 72.42 H new ATOM 550 N LYS A 36 9.991 -20.949 -8.239 1.00 5.13 N ATOM 551 CA LYS A 36 10.366 -22.353 -8.349 1.00 11.15 C ATOM 552 C LYS A 36 11.272 -22.582 -9.555 1.00 32.14 C ATOM 553 O LYS A 36 12.172 -23.420 -9.517 1.00 62.43 O ATOM 554 CB LYS A 36 9.115 -23.228 -8.465 1.00 64.34 C ATOM 555 CG LYS A 36 9.412 -24.718 -8.455 1.00 20.30 C ATOM 556 CD LYS A 36 8.333 -25.497 -7.722 1.00 1.42 C ATOM 557 CE LYS A 36 8.461 -25.344 -6.214 1.00 45.53 C ATOM 558 NZ LYS A 36 9.142 -26.514 -5.595 1.00 21.13 N1+ ATOM 0 H LYS A 36 8.993 -20.769 -8.353 1.00 5.13 H new ATOM 0 HA LYS A 36 10.914 -22.629 -7.448 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.441 -22.995 -7.641 1.00 64.34 H new ATOM 0 HB3 LYS A 36 8.590 -22.977 -9.387 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.491 -25.081 -9.480 1.00 20.30 H new ATOM 0 HG3 LYS A 36 10.376 -24.894 -7.979 1.00 20.30 H new ATOM 0 HD2 LYS A 36 7.351 -25.149 -8.042 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.400 -26.552 -7.989 1.00 1.42 H new ATOM 0 HE2 LYS A 36 9.020 -24.436 -5.987 1.00 45.53 H new ATOM 0 HE3 LYS A 36 7.470 -25.226 -5.775 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 9.210 -26.372 -4.567 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 8.595 -27.377 -5.790 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 10.097 -26.611 -5.995 1.00 21.13 H new ATOM 572 N ARG A 37 11.029 -21.829 -10.623 1.00 74.25 N ATOM 573 CA ARG A 37 11.823 -21.951 -11.840 1.00 53.51 C ATOM 574 C ARG A 37 13.304 -21.726 -11.546 1.00 13.30 C ATOM 575 O ARG A 37 14.170 -22.188 -12.288 1.00 74.35 O ATOM 576 CB ARG A 37 11.343 -20.946 -12.890 1.00 25.33 C ATOM 577 CG ARG A 37 9.945 -21.235 -13.414 1.00 1.44 C ATOM 578 CD ARG A 37 9.669 -20.485 -14.708 1.00 4.13 C ATOM 579 NE ARG A 37 9.107 -19.159 -14.461 1.00 22.22 N ATOM 580 CZ ARG A 37 8.710 -18.339 -15.428 1.00 71.43 C ATOM 581 NH1 ARG A 37 8.812 -18.706 -16.698 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 8.209 -17.149 -15.125 1.00 43.33 N ATOM 0 H ARG A 37 10.289 -21.128 -10.670 1.00 74.25 H new ATOM 0 HA ARG A 37 11.695 -22.961 -12.228 1.00 53.51 H new ATOM 0 HB2 ARG A 37 11.361 -19.945 -12.458 1.00 25.33 H new ATOM 0 HB3 ARG A 37 12.042 -20.945 -13.726 1.00 25.33 H new ATOM 0 HG2 ARG A 37 9.832 -22.306 -13.582 1.00 1.44 H new ATOM 0 HG3 ARG A 37 9.208 -20.951 -12.663 1.00 1.44 H new ATOM 0 HD2 ARG A 37 10.595 -20.387 -15.275 1.00 4.13 H new ATOM 0 HD3 ARG A 37 8.979 -21.063 -15.322 1.00 4.13 H new ATOM 0 HE ARG A 37 9.015 -18.846 -13.495 1.00 22.22 H new ATOM 0 HH11 ARG A 37 9.196 -19.621 -16.935 1.00 64.15 H new ATOM 0 HH12 ARG A 37 8.506 -18.074 -17.438 1.00 64.15 H new ATOM 0 HH21 ARG A 37 8.128 -16.863 -14.149 1.00 43.33 H new ATOM 0 HH22 ARG A 37 7.904 -16.520 -15.868 1.00 43.33 H new ATOM 596 N ASN A 38 13.585 -21.014 -10.461 1.00 64.14 N ATOM 597 CA ASN A 38 14.961 -20.727 -10.070 1.00 2.44 C ATOM 598 C ASN A 38 15.610 -21.949 -9.428 1.00 62.25 C ATOM 599 O ASN A 38 16.717 -22.342 -9.794 1.00 62.41 O ATOM 600 CB ASN A 38 15.002 -19.544 -9.100 1.00 14.03 C ATOM 601 CG ASN A 38 14.470 -18.267 -9.722 1.00 30.51 C ATOM 602 OD1 ASN A 38 13.398 -17.733 -9.149 1.00 23.41 O flip ATOM 603 ND2 ASN A 38 15.017 -17.768 -10.705 1.00 43.51 N flip ATOM 0 H ASN A 38 12.879 -20.625 -9.836 1.00 64.14 H new ATOM 0 HA ASN A 38 15.522 -20.470 -10.969 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.416 -19.784 -8.213 1.00 14.03 H new ATOM 0 HB3 ASN A 38 16.028 -19.384 -8.770 1.00 14.03 H new ATOM 0 HD21 ASN A 38 15.839 -18.214 -11.112 1.00 43.51 H new ATOM 0 HD22 ASN A 38 14.648 -16.909 -11.113 1.00 43.51 H new ATOM 610 N PHE A 39 14.912 -22.547 -8.468 1.00 74.50 N ATOM 611 CA PHE A 39 15.419 -23.724 -7.773 1.00 13.22 C ATOM 612 C PHE A 39 14.330 -24.784 -7.631 1.00 13.23 C ATOM 613 O PHE A 39 13.861 -25.062 -6.529 1.00 12.23 O ATOM 614 CB PHE A 39 15.954 -23.338 -6.393 1.00 22.33 C ATOM 615 CG PHE A 39 17.073 -22.337 -6.441 1.00 63.55 C ATOM 616 CD1 PHE A 39 16.804 -20.978 -6.450 1.00 1.45 C ATOM 617 CD2 PHE A 39 18.393 -22.756 -6.480 1.00 54.30 C ATOM 618 CE1 PHE A 39 17.832 -20.054 -6.495 1.00 73.20 C ATOM 619 CE2 PHE A 39 19.425 -21.837 -6.525 1.00 20.44 C ATOM 620 CZ PHE A 39 19.144 -20.484 -6.532 1.00 41.30 C ATOM 0 H PHE A 39 13.993 -22.235 -8.154 1.00 74.50 H new ATOM 0 HA PHE A 39 16.233 -24.142 -8.366 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.138 -22.930 -5.797 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.303 -24.236 -5.883 1.00 22.33 H new ATOM 0 HD1 PHE A 39 15.780 -20.636 -6.422 1.00 1.45 H new ATOM 0 HD2 PHE A 39 18.618 -23.812 -6.475 1.00 54.30 H new ATOM 0 HE1 PHE A 39 17.609 -18.997 -6.501 1.00 73.20 H new ATOM 0 HE2 PHE A 39 20.450 -22.176 -6.555 1.00 20.44 H new ATOM 0 HZ PHE A 39 19.949 -19.764 -6.566 1.00 41.30 H new ATOM 630 N ASN A 40 13.933 -25.370 -8.756 1.00 5.11 N ATOM 631 CA ASN A 40 12.899 -26.398 -8.757 1.00 31.44 C ATOM 632 C ASN A 40 13.453 -27.728 -8.259 1.00 13.21 C ATOM 633 O ASN A 40 12.958 -28.290 -7.281 1.00 10.21 O ATOM 634 CB ASN A 40 12.323 -26.568 -10.165 1.00 21.11 C ATOM 635 CG ASN A 40 11.519 -27.846 -10.310 1.00 35.33 C ATOM 636 OD1 ASN A 40 11.755 -28.641 -11.220 1.00 34.12 O ATOM 637 ND2 ASN A 40 10.563 -28.049 -9.410 1.00 33.42 N ATOM 0 H ASN A 40 14.311 -25.151 -9.678 1.00 5.11 H new ATOM 0 HA ASN A 40 12.105 -26.080 -8.081 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.688 -25.714 -10.401 1.00 21.11 H new ATOM 0 HB3 ASN A 40 13.137 -26.570 -10.890 1.00 21.11 H new ATOM 0 HD21 ASN A 40 9.989 -28.891 -9.456 1.00 33.42 H new ATOM 0 HD22 ASN A 40 10.403 -27.363 -8.673 1.00 33.42 H new ATOM 644 N GLN A 41 14.482 -28.226 -8.936 1.00 42.41 N ATOM 645 CA GLN A 41 15.103 -29.491 -8.561 1.00 32.21 C ATOM 646 C GLN A 41 16.225 -29.268 -7.552 1.00 10.23 C ATOM 647 O GLN A 41 16.992 -30.182 -7.251 1.00 2.54 O ATOM 648 CB GLN A 41 15.649 -30.203 -9.800 1.00 24.30 C ATOM 649 CG GLN A 41 16.666 -29.381 -10.575 1.00 23.03 C ATOM 650 CD GLN A 41 17.251 -30.138 -11.751 1.00 60.23 C ATOM 651 OE1 GLN A 41 16.547 -30.868 -12.448 1.00 25.31 O ATOM 652 NE2 GLN A 41 18.549 -29.966 -11.979 1.00 53.52 N ATOM 0 H GLN A 41 14.904 -27.773 -9.747 1.00 42.41 H new ATOM 0 HA GLN A 41 14.341 -30.118 -8.097 1.00 32.21 H new ATOM 0 HB2 GLN A 41 16.110 -31.143 -9.495 1.00 24.30 H new ATOM 0 HB3 GLN A 41 14.819 -30.454 -10.460 1.00 24.30 H new ATOM 0 HG2 GLN A 41 16.192 -28.468 -10.935 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.471 -29.079 -9.905 1.00 23.03 H new ATOM 0 HE21 GLN A 41 19.096 -29.351 -11.376 1.00 53.52 H new ATOM 0 HE22 GLN A 41 18.999 -30.449 -12.757 1.00 53.52 H new ATOM 661 N ALA A 42 16.316 -28.047 -7.035 1.00 53.10 N ATOM 662 CA ALA A 42 17.343 -27.705 -6.059 1.00 45.11 C ATOM 663 C ALA A 42 16.819 -27.853 -4.635 1.00 30.22 C ATOM 664 O ALA A 42 17.548 -28.273 -3.737 1.00 53.42 O ATOM 665 CB ALA A 42 17.843 -26.287 -6.295 1.00 52.01 C ATOM 0 H ALA A 42 15.691 -27.278 -7.276 1.00 53.10 H new ATOM 0 HA ALA A 42 18.175 -28.398 -6.185 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.610 -26.044 -5.559 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.265 -26.212 -7.297 1.00 52.01 H new ATOM 0 HB3 ALA A 42 17.013 -25.588 -6.198 1.00 52.01 H new ATOM 671 N GLN A 43 15.552 -27.506 -4.437 1.00 44.33 N ATOM 672 CA GLN A 43 14.932 -27.600 -3.120 1.00 63.21 C ATOM 673 C GLN A 43 13.454 -27.229 -3.186 1.00 62.24 C ATOM 674 O GLN A 43 13.015 -26.552 -4.115 1.00 74.55 O ATOM 675 CB GLN A 43 15.654 -26.688 -2.127 1.00 72.12 C ATOM 676 CG GLN A 43 15.616 -27.196 -0.694 1.00 43.55 C ATOM 677 CD GLN A 43 16.030 -26.141 0.312 1.00 74.41 C ATOM 678 OE1 GLN A 43 15.047 -25.469 0.902 1.00 53.02 O flip ATOM 679 NE2 GLN A 43 17.218 -25.931 0.555 1.00 50.05 N flip ATOM 0 H GLN A 43 14.935 -27.158 -5.170 1.00 44.33 H new ATOM 0 HA GLN A 43 15.014 -28.633 -2.781 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.693 -26.578 -2.437 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.204 -25.696 -2.164 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.608 -27.538 -0.461 1.00 43.55 H new ATOM 0 HG3 GLN A 43 16.275 -28.059 -0.601 1.00 43.55 H new ATOM 0 HE21 GLN A 43 17.939 -26.472 0.078 1.00 50.05 H new ATOM 0 HE22 GLN A 43 17.481 -25.216 1.234 1.00 50.05 H new ATOM 688 N ASN A 44 12.691 -27.679 -2.196 1.00 61.24 N ATOM 689 CA ASN A 44 11.262 -27.396 -2.143 1.00 5.03 C ATOM 690 C ASN A 44 10.999 -26.043 -1.489 1.00 45.14 C ATOM 691 O ASN A 44 11.822 -25.541 -0.723 1.00 15.42 O ATOM 692 CB ASN A 44 10.530 -28.498 -1.372 1.00 2.54 C ATOM 693 CG ASN A 44 9.039 -28.239 -1.270 1.00 33.50 C ATOM 694 OD1 ASN A 44 8.566 -27.979 -0.057 1.00 53.44 O flip ATOM 695 ND2 ASN A 44 8.322 -28.274 -2.271 1.00 2.43 N flip ATOM 0 H ASN A 44 13.039 -28.241 -1.419 1.00 61.24 H new ATOM 0 HA ASN A 44 10.886 -27.365 -3.165 1.00 5.03 H new ATOM 0 HB2 ASN A 44 10.697 -29.455 -1.866 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.952 -28.578 -0.370 1.00 2.54 H new ATOM 0 HD21 ASN A 44 8.730 -28.478 -3.183 1.00 2.43 H new ATOM 0 HD22 ASN A 44 7.321 -28.099 -2.187 1.00 2.43 H new ATOM 702 N VAL A 45 9.845 -25.457 -1.796 1.00 44.30 N ATOM 703 CA VAL A 45 9.473 -24.163 -1.238 1.00 71.11 C ATOM 704 C VAL A 45 7.960 -24.038 -1.103 1.00 24.13 C ATOM 705 O VAL A 45 7.206 -24.678 -1.836 1.00 24.45 O ATOM 706 CB VAL A 45 9.998 -23.004 -2.106 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.267 -22.963 -3.440 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.857 -21.680 -1.370 1.00 21.34 C ATOM 0 H VAL A 45 9.152 -25.859 -2.428 1.00 44.30 H new ATOM 0 HA VAL A 45 9.930 -24.102 -0.250 1.00 71.11 H new ATOM 0 HB VAL A 45 11.057 -23.172 -2.304 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.651 -22.138 -4.040 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.425 -23.902 -3.971 1.00 23.33 H new ATOM 0 HG13 VAL A 45 8.201 -22.820 -3.266 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.233 -20.873 -1.998 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.807 -21.502 -1.140 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.430 -21.716 -0.444 1.00 21.34 H new ATOM 718 N ARG A 46 7.521 -23.208 -0.161 1.00 33.25 N ATOM 719 CA ARG A 46 6.097 -23.000 0.070 1.00 13.25 C ATOM 720 C ARG A 46 5.795 -21.521 0.302 1.00 35.22 C ATOM 721 O ARG A 46 6.181 -20.951 1.322 1.00 45.34 O ATOM 722 CB ARG A 46 5.628 -23.822 1.273 1.00 60.23 C ATOM 723 CG ARG A 46 6.069 -25.275 1.225 1.00 34.50 C ATOM 724 CD ARG A 46 5.328 -26.047 0.144 1.00 54.54 C ATOM 725 NE ARG A 46 3.946 -26.331 0.522 1.00 74.02 N ATOM 726 CZ ARG A 46 3.030 -26.784 -0.326 1.00 73.42 C ATOM 727 NH1 ARG A 46 3.347 -27.004 -1.594 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 1.794 -27.018 0.095 1.00 42.44 N ATOM 0 H ARG A 46 8.131 -22.669 0.454 1.00 33.25 H new ATOM 0 HA ARG A 46 5.558 -23.329 -0.818 1.00 13.25 H new ATOM 0 HB2 ARG A 46 6.010 -23.365 2.186 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.540 -23.783 1.328 1.00 60.23 H new ATOM 0 HG2 ARG A 46 7.142 -25.325 1.039 1.00 34.50 H new ATOM 0 HG3 ARG A 46 5.892 -25.742 2.194 1.00 34.50 H new ATOM 0 HD2 ARG A 46 5.339 -25.474 -0.783 1.00 54.54 H new ATOM 0 HD3 ARG A 46 5.849 -26.984 -0.054 1.00 54.54 H new ATOM 0 HE ARG A 46 3.669 -26.173 1.491 1.00 74.02 H new ATOM 0 HH11 ARG A 46 4.297 -26.825 -1.921 1.00 53.11 H new ATOM 0 HH12 ARG A 46 2.641 -27.352 -2.243 1.00 53.11 H new ATOM 0 HH21 ARG A 46 1.547 -26.850 1.070 1.00 42.44 H new ATOM 0 HH22 ARG A 46 1.091 -27.366 -0.557 1.00 42.44 H new ATOM 742 N VAL A 47 5.102 -20.908 -0.652 1.00 13.15 N ATOM 743 CA VAL A 47 4.748 -19.497 -0.552 1.00 40.55 C ATOM 744 C VAL A 47 3.431 -19.312 0.194 1.00 21.11 C ATOM 745 O VAL A 47 2.476 -20.059 -0.017 1.00 40.40 O ATOM 746 CB VAL A 47 4.632 -18.847 -1.944 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.225 -17.387 -1.820 1.00 73.12 C ATOM 748 CG2 VAL A 47 5.942 -18.982 -2.705 1.00 3.11 C ATOM 0 H VAL A 47 4.775 -21.366 -1.503 1.00 13.15 H new ATOM 0 HA VAL A 47 5.549 -19.009 0.003 1.00 40.55 H new ATOM 0 HB VAL A 47 3.857 -19.368 -2.506 1.00 43.43 H new ATOM 0 HG11 VAL A 47 4.148 -16.945 -2.813 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.260 -17.320 -1.317 1.00 73.12 H new ATOM 0 HG13 VAL A 47 4.974 -16.848 -1.240 1.00 73.12 H new ATOM 0 HG21 VAL A 47 5.842 -18.518 -3.686 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.739 -18.488 -2.149 1.00 3.11 H new ATOM 0 HG23 VAL A 47 6.185 -20.038 -2.826 1.00 3.11 H new ATOM 758 N ASP A 48 3.389 -18.313 1.069 1.00 31.11 N ATOM 759 CA ASP A 48 2.188 -18.029 1.846 1.00 72.44 C ATOM 760 C ASP A 48 1.755 -16.578 1.666 1.00 70.23 C ATOM 761 O ASP A 48 2.443 -15.654 2.103 1.00 21.40 O ATOM 762 CB ASP A 48 2.433 -18.321 3.328 1.00 33.25 C ATOM 763 CG ASP A 48 1.148 -18.589 4.085 1.00 71.03 C ATOM 764 OD1 ASP A 48 0.257 -19.259 3.524 1.00 23.12 O ATOM 765 OD2 ASP A 48 1.035 -18.130 5.241 1.00 32.52 O1- ATOM 0 H ASP A 48 4.172 -17.687 1.258 1.00 31.11 H new ATOM 0 HA ASP A 48 1.389 -18.675 1.483 1.00 72.44 H new ATOM 0 HB2 ASP A 48 3.093 -19.184 3.421 1.00 33.25 H new ATOM 0 HB3 ASP A 48 2.949 -17.475 3.782 1.00 33.25 H new ATOM 770 N LEU A 49 0.611 -16.384 1.019 1.00 24.33 N ATOM 771 CA LEU A 49 0.085 -15.043 0.779 1.00 74.30 C ATOM 772 C LEU A 49 -0.867 -14.624 1.895 1.00 41.23 C ATOM 773 O LEU A 49 -1.586 -15.452 2.453 1.00 13.24 O ATOM 774 CB LEU A 49 -0.636 -14.991 -0.568 1.00 25.14 C ATOM 775 CG LEU A 49 -1.078 -13.605 -1.039 1.00 4.23 C ATOM 776 CD1 LEU A 49 -1.009 -13.509 -2.556 1.00 52.13 C ATOM 777 CD2 LEU A 49 -2.485 -13.299 -0.547 1.00 21.20 C ATOM 0 H LEU A 49 0.030 -17.137 0.651 1.00 24.33 H new ATOM 0 HA LEU A 49 0.924 -14.347 0.762 1.00 74.30 H new ATOM 0 HB2 LEU A 49 0.021 -15.418 -1.326 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.516 -15.631 -0.511 1.00 25.14 H new ATOM 0 HG LEU A 49 -0.398 -12.865 -0.618 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -1.327 -12.516 -2.873 1.00 52.13 H new ATOM 0 HD12 LEU A 49 0.015 -13.684 -2.885 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -1.665 -14.258 -2.998 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -2.784 -12.309 -0.891 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -3.178 -14.044 -0.939 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -2.503 -13.325 0.543 1.00 21.20 H new ATOM 789 N ASN A 50 -0.866 -13.334 2.212 1.00 2.14 N ATOM 790 CA ASN A 50 -1.732 -12.804 3.260 1.00 51.24 C ATOM 791 C ASN A 50 -2.591 -11.660 2.730 1.00 73.32 C ATOM 792 O ASN A 50 -2.136 -10.520 2.636 1.00 30.13 O ATOM 793 CB ASN A 50 -0.894 -12.320 4.445 1.00 23.52 C ATOM 794 CG ASN A 50 -0.389 -13.464 5.302 1.00 61.45 C ATOM 795 OD1 ASN A 50 0.764 -13.880 5.187 1.00 42.53 O ATOM 796 ND2 ASN A 50 -1.254 -13.980 6.169 1.00 44.50 N ATOM 0 H ASN A 50 -0.276 -12.636 1.759 1.00 2.14 H new ATOM 0 HA ASN A 50 -2.391 -13.606 3.592 1.00 51.24 H new ATOM 0 HB2 ASN A 50 -0.045 -11.745 4.075 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -1.492 -11.647 5.059 1.00 23.52 H new ATOM 0 HD21 ASN A 50 -0.972 -14.752 6.773 1.00 44.50 H new ATOM 0 HD22 ASN A 50 -2.200 -13.604 6.231 1.00 44.50 H new ATOM 803 N ARG A 51 -3.835 -11.974 2.384 1.00 0.13 N ATOM 804 CA ARG A 51 -4.758 -10.973 1.862 1.00 51.01 C ATOM 805 C ARG A 51 -5.139 -9.968 2.944 1.00 31.24 C ATOM 806 O ARG A 51 -5.719 -8.922 2.656 1.00 2.24 O ATOM 807 CB ARG A 51 -6.017 -11.648 1.311 1.00 21.12 C ATOM 808 CG ARG A 51 -6.779 -12.455 2.349 1.00 33.14 C ATOM 809 CD ARG A 51 -8.268 -12.489 2.045 1.00 3.53 C ATOM 810 NE ARG A 51 -9.062 -12.806 3.229 1.00 0.04 N ATOM 811 CZ ARG A 51 -9.189 -14.034 3.721 1.00 72.34 C ATOM 812 NH1 ARG A 51 -8.577 -15.053 3.134 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -9.928 -14.243 4.802 1.00 73.32 N ATOM 0 H ARG A 51 -4.227 -12.913 2.456 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.257 -10.439 1.055 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.678 -10.885 0.900 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.736 -12.304 0.487 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -6.389 -13.473 2.378 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -6.618 -12.023 3.337 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -8.579 -11.523 1.648 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -8.463 -13.230 1.269 1.00 3.53 H new ATOM 0 HE ARG A 51 -9.545 -12.044 3.704 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -8.007 -14.895 2.303 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -8.676 -15.995 3.514 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -10.399 -13.461 5.256 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -10.025 -15.186 5.179 1.00 73.32 H new ATOM 827 N GLU A 52 -4.808 -10.294 4.190 1.00 34.15 N ATOM 828 CA GLU A 52 -5.118 -9.420 5.316 1.00 24.22 C ATOM 829 C GLU A 52 -4.300 -8.133 5.245 1.00 0.20 C ATOM 830 O GLU A 52 -4.806 -7.045 5.524 1.00 22.35 O ATOM 831 CB GLU A 52 -4.845 -10.139 6.638 1.00 52.12 C ATOM 832 CG GLU A 52 -3.432 -10.684 6.755 1.00 75.31 C ATOM 833 CD GLU A 52 -3.195 -11.415 8.062 1.00 73.42 C ATOM 834 OE1 GLU A 52 -4.186 -11.843 8.690 1.00 11.41 O ATOM 835 OE2 GLU A 52 -2.019 -11.560 8.457 1.00 52.33 O1- ATOM 0 H GLU A 52 -4.326 -11.156 4.445 1.00 34.15 H new ATOM 0 HA GLU A 52 -6.176 -9.162 5.264 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -5.028 -9.449 7.462 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -5.552 -10.961 6.747 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -3.238 -11.362 5.924 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -2.721 -9.862 6.669 1.00 75.31 H new ATOM 842 N THR A 53 -3.031 -8.265 4.871 1.00 23.40 N ATOM 843 CA THR A 53 -2.142 -7.115 4.766 1.00 34.31 C ATOM 844 C THR A 53 -1.487 -7.051 3.391 1.00 54.44 C ATOM 845 O THR A 53 -0.508 -6.333 3.193 1.00 31.00 O ATOM 846 CB THR A 53 -1.043 -7.154 5.845 1.00 73.11 C ATOM 847 OG1 THR A 53 -0.210 -5.995 5.738 1.00 13.41 O ATOM 848 CG2 THR A 53 -0.194 -8.409 5.708 1.00 32.42 C ATOM 0 H THR A 53 -2.596 -9.157 4.636 1.00 23.40 H new ATOM 0 HA THR A 53 -2.755 -6.226 4.915 1.00 34.31 H new ATOM 0 HB THR A 53 -1.525 -7.165 6.823 1.00 73.11 H new ATOM 0 HG1 THR A 53 0.124 -5.916 4.820 1.00 13.41 H new ATOM 0 HG21 THR A 53 0.575 -8.414 6.480 1.00 32.42 H new ATOM 0 HG22 THR A 53 -0.826 -9.290 5.819 1.00 32.42 H new ATOM 0 HG23 THR A 53 0.278 -8.423 4.726 1.00 32.42 H new ATOM 856 N GLY A 54 -2.034 -7.807 2.444 1.00 23.41 N ATOM 857 CA GLY A 54 -1.489 -7.820 1.099 1.00 44.31 C ATOM 858 C GLY A 54 -0.006 -8.129 1.077 1.00 5.13 C ATOM 859 O GLY A 54 0.705 -7.736 0.152 1.00 74.51 O ATOM 0 H GLY A 54 -2.844 -8.410 2.584 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -2.020 -8.562 0.502 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.662 -6.851 0.631 1.00 44.31 H new ATOM 863 N SER A 55 0.465 -8.835 2.100 1.00 33.40 N ATOM 864 CA SER A 55 1.876 -9.192 2.199 1.00 75.11 C ATOM 865 C SER A 55 2.117 -10.603 1.671 1.00 63.23 C ATOM 866 O SER A 55 1.173 -11.333 1.369 1.00 45.55 O ATOM 867 CB SER A 55 2.350 -9.090 3.650 1.00 55.25 C ATOM 868 OG SER A 55 3.752 -8.893 3.716 1.00 71.01 O ATOM 0 H SER A 55 -0.110 -9.171 2.872 1.00 33.40 H new ATOM 0 HA SER A 55 2.446 -8.492 1.589 1.00 75.11 H new ATOM 0 HB2 SER A 55 1.840 -8.264 4.145 1.00 55.25 H new ATOM 0 HB3 SER A 55 2.082 -9.999 4.188 1.00 55.25 H new ATOM 0 HG SER A 55 4.030 -8.829 4.654 1.00 71.01 H new ATOM 874 N ILE A 56 3.386 -10.979 1.564 1.00 3.53 N ATOM 875 CA ILE A 56 3.752 -12.302 1.074 1.00 74.13 C ATOM 876 C ILE A 56 5.066 -12.772 1.691 1.00 0.40 C ATOM 877 O ILE A 56 5.967 -11.973 1.940 1.00 42.33 O ATOM 878 CB ILE A 56 3.883 -12.319 -0.460 1.00 73.52 C ATOM 879 CG1 ILE A 56 3.723 -13.744 -0.992 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.224 -11.737 -0.883 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.308 -14.077 -1.412 1.00 3.04 C ATOM 0 H ILE A 56 4.179 -10.386 1.810 1.00 3.53 H new ATOM 0 HA ILE A 56 2.951 -12.980 1.369 1.00 74.13 H new ATOM 0 HB ILE A 56 3.091 -11.702 -0.885 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.388 -13.882 -1.844 1.00 3.03 H new ATOM 0 HG13 ILE A 56 4.040 -14.448 -0.223 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.302 -11.756 -1.970 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.301 -10.708 -0.531 1.00 41.12 H new ATOM 0 HG23 ILE A 56 6.030 -12.330 -0.451 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.269 -15.103 -1.779 1.00 3.04 H new ATOM 0 HD12 ILE A 56 1.640 -13.972 -0.557 1.00 3.04 H new ATOM 0 HD13 ILE A 56 1.994 -13.397 -2.204 1.00 3.04 H new ATOM 893 N ARG A 57 5.166 -14.076 1.931 1.00 32.14 N ATOM 894 CA ARG A 57 6.370 -14.653 2.518 1.00 64.45 C ATOM 895 C ARG A 57 6.669 -16.021 1.910 1.00 32.01 C ATOM 896 O ARG A 57 5.800 -16.892 1.858 1.00 32.22 O ATOM 897 CB ARG A 57 6.213 -14.781 4.034 1.00 61.04 C ATOM 898 CG ARG A 57 6.125 -13.445 4.751 1.00 70.51 C ATOM 899 CD ARG A 57 7.434 -12.677 4.664 1.00 15.33 C ATOM 900 NE ARG A 57 7.659 -11.841 5.841 1.00 71.31 N ATOM 901 CZ ARG A 57 8.854 -11.381 6.197 1.00 72.11 C ATOM 902 NH1 ARG A 57 9.924 -11.672 5.472 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 8.977 -10.626 7.283 1.00 34.43 N ATOM 0 H ARG A 57 4.429 -14.752 1.728 1.00 32.14 H new ATOM 0 HA ARG A 57 7.205 -13.987 2.301 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.315 -15.360 4.250 1.00 61.04 H new ATOM 0 HB3 ARG A 57 7.058 -15.343 4.432 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.323 -12.849 4.315 1.00 70.51 H new ATOM 0 HG3 ARG A 57 5.867 -13.609 5.797 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.260 -13.380 4.556 1.00 15.33 H new ATOM 0 HD3 ARG A 57 7.429 -12.052 3.771 1.00 15.33 H new ATOM 0 HE ARG A 57 6.856 -11.597 6.421 1.00 71.31 H new ATOM 0 HH11 ARG A 57 9.832 -12.251 4.637 1.00 34.40 H new ATOM 0 HH12 ARG A 57 10.839 -11.317 5.749 1.00 34.40 H new ATOM 0 HH21 ARG A 57 8.155 -10.400 7.843 1.00 34.43 H new ATOM 0 HH22 ARG A 57 9.894 -10.272 7.557 1.00 34.43 H new ATOM 917 N VAL A 58 7.903 -16.201 1.449 1.00 42.34 N ATOM 918 CA VAL A 58 8.316 -17.462 0.845 1.00 43.54 C ATOM 919 C VAL A 58 9.295 -18.207 1.746 1.00 10.15 C ATOM 920 O VAL A 58 10.395 -17.726 2.018 1.00 73.04 O ATOM 921 CB VAL A 58 8.970 -17.237 -0.530 1.00 23.50 C ATOM 922 CG1 VAL A 58 9.170 -18.562 -1.251 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.131 -16.286 -1.370 1.00 4.35 C ATOM 0 H VAL A 58 8.633 -15.490 1.482 1.00 42.34 H new ATOM 0 HA VAL A 58 7.415 -18.063 0.717 1.00 43.54 H new ATOM 0 HB VAL A 58 9.949 -16.783 -0.376 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.633 -18.382 -2.221 1.00 55.51 H new ATOM 0 HG12 VAL A 58 9.815 -19.207 -0.655 1.00 55.51 H new ATOM 0 HG13 VAL A 58 8.205 -19.047 -1.395 1.00 55.51 H new ATOM 0 HG21 VAL A 58 8.608 -16.138 -2.339 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.137 -16.710 -1.516 1.00 4.35 H new ATOM 0 HG23 VAL A 58 8.045 -15.328 -0.858 1.00 4.35 H new ATOM 933 N PHE A 59 8.888 -19.387 2.204 1.00 1.31 N ATOM 934 CA PHE A 59 9.729 -20.200 3.075 1.00 44.44 C ATOM 935 C PHE A 59 10.071 -21.531 2.412 1.00 1.24 C ATOM 936 O PHE A 59 9.278 -22.076 1.643 1.00 3.23 O ATOM 937 CB PHE A 59 9.027 -20.448 4.411 1.00 43.13 C ATOM 938 CG PHE A 59 8.595 -19.187 5.105 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.511 -18.419 5.805 1.00 52.45 C ATOM 940 CD2 PHE A 59 7.275 -18.771 5.057 1.00 45.01 C ATOM 941 CE1 PHE A 59 9.118 -17.258 6.444 1.00 33.32 C ATOM 942 CE2 PHE A 59 6.876 -17.611 5.693 1.00 52.11 C ATOM 943 CZ PHE A 59 7.799 -16.854 6.390 1.00 33.22 C ATOM 0 H PHE A 59 7.982 -19.801 1.986 1.00 1.31 H new ATOM 0 HA PHE A 59 10.656 -19.655 3.256 1.00 44.44 H new ATOM 0 HB2 PHE A 59 8.153 -21.078 4.242 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.698 -21.003 5.067 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.544 -18.731 5.852 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.549 -19.360 4.516 1.00 45.01 H new ATOM 0 HE1 PHE A 59 9.842 -16.667 6.985 1.00 33.32 H new ATOM 0 HE2 PHE A 59 5.844 -17.296 5.646 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.489 -15.949 6.891 1.00 33.22 H new ATOM 953 N ALA A 60 11.256 -22.050 2.716 1.00 64.33 N ATOM 954 CA ALA A 60 11.702 -23.318 2.151 1.00 61.55 C ATOM 955 C ALA A 60 11.514 -24.458 3.146 1.00 45.11 C ATOM 956 O ALA A 60 12.039 -24.417 4.258 1.00 31.21 O ATOM 957 CB ALA A 60 13.159 -23.221 1.724 1.00 21.41 C ATOM 0 H ALA A 60 11.924 -21.612 3.350 1.00 64.33 H new ATOM 0 HA ALA A 60 11.092 -23.533 1.274 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.479 -24.174 1.304 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.267 -22.439 0.972 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.776 -22.980 2.589 1.00 21.41 H new ATOM 963 N ARG A 61 10.762 -25.474 2.739 1.00 41.23 N ATOM 964 CA ARG A 61 10.504 -26.626 3.595 1.00 72.14 C ATOM 965 C ARG A 61 11.595 -27.679 3.434 1.00 20.13 C ATOM 966 O ARG A 61 11.791 -28.224 2.349 1.00 1.01 O ATOM 967 CB ARG A 61 9.138 -27.234 3.269 1.00 64.24 C ATOM 968 CG ARG A 61 8.349 -27.652 4.499 1.00 32.03 C ATOM 969 CD ARG A 61 7.349 -28.751 4.172 1.00 70.43 C ATOM 970 NE ARG A 61 6.236 -28.777 5.117 1.00 4.21 N ATOM 971 CZ ARG A 61 5.432 -29.822 5.277 1.00 31.53 C ATOM 972 NH1 ARG A 61 5.617 -30.921 4.559 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 4.441 -29.769 6.158 1.00 24.30 N ATOM 0 H ARG A 61 10.320 -25.524 1.821 1.00 41.23 H new ATOM 0 HA ARG A 61 10.504 -26.285 4.630 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.553 -26.510 2.701 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.280 -28.103 2.626 1.00 64.24 H new ATOM 0 HG2 ARG A 61 9.035 -28.000 5.271 1.00 32.03 H new ATOM 0 HG3 ARG A 61 7.823 -26.789 4.906 1.00 32.03 H new ATOM 0 HD2 ARG A 61 6.964 -28.603 3.163 1.00 70.43 H new ATOM 0 HD3 ARG A 61 7.855 -29.716 4.181 1.00 70.43 H new ATOM 0 HE ARG A 61 6.067 -27.947 5.685 1.00 4.21 H new ATOM 0 HH11 ARG A 61 6.378 -30.966 3.882 1.00 71.04 H new ATOM 0 HH12 ARG A 61 4.998 -31.722 4.684 1.00 71.04 H new ATOM 0 HH21 ARG A 61 4.296 -28.925 6.713 1.00 24.30 H new ATOM 0 HH22 ARG A 61 3.824 -30.572 6.280 1.00 24.30 H new ATOM 987 N LYS A 62 12.303 -27.961 4.523 1.00 10.33 N ATOM 988 CA LYS A 62 13.375 -28.950 4.504 1.00 21.43 C ATOM 989 C LYS A 62 13.136 -30.031 5.554 1.00 75.40 C ATOM 990 O LYS A 62 12.764 -29.735 6.689 1.00 2.42 O ATOM 991 CB LYS A 62 14.725 -28.274 4.752 1.00 43.22 C ATOM 992 CG LYS A 62 15.435 -27.848 3.477 1.00 41.54 C ATOM 993 CD LYS A 62 16.320 -26.636 3.710 1.00 43.23 C ATOM 994 CE LYS A 62 17.650 -27.027 4.335 1.00 43.44 C ATOM 995 NZ LYS A 62 18.156 -25.981 5.266 1.00 24.24 N1+ ATOM 0 H LYS A 62 12.154 -27.519 5.430 1.00 10.33 H new ATOM 0 HA LYS A 62 13.386 -29.419 3.520 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.573 -27.399 5.383 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.368 -28.958 5.305 1.00 43.22 H new ATOM 0 HG2 LYS A 62 16.039 -28.674 3.103 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.697 -27.619 2.708 1.00 41.54 H new ATOM 0 HD2 LYS A 62 16.498 -26.127 2.763 1.00 43.23 H new ATOM 0 HD3 LYS A 62 15.806 -25.928 4.360 1.00 43.23 H new ATOM 0 HE2 LYS A 62 17.535 -27.967 4.874 1.00 43.44 H new ATOM 0 HE3 LYS A 62 18.384 -27.198 3.548 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 19.064 -26.286 5.671 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 18.290 -25.090 4.747 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 17.467 -25.835 6.032 1.00 24.24 H new ATOM 1009 N ASP A 63 13.353 -31.283 5.166 1.00 23.54 N ATOM 1010 CA ASP A 63 13.164 -32.408 6.074 1.00 42.41 C ATOM 1011 C ASP A 63 14.113 -32.310 7.265 1.00 73.33 C ATOM 1012 O ASP A 63 15.272 -31.924 7.118 1.00 62.32 O ATOM 1013 CB ASP A 63 13.385 -33.730 5.337 1.00 73.01 C ATOM 1014 CG ASP A 63 12.508 -34.845 5.871 1.00 64.14 C ATOM 1015 OD1 ASP A 63 12.532 -35.083 7.097 1.00 40.11 O ATOM 1016 OD2 ASP A 63 11.797 -35.478 5.064 1.00 60.22 O1- ATOM 0 H ASP A 63 13.660 -31.544 4.229 1.00 23.54 H new ATOM 0 HA ASP A 63 12.139 -32.375 6.445 1.00 42.41 H new ATOM 0 HB2 ASP A 63 13.182 -33.589 4.275 1.00 73.01 H new ATOM 0 HB3 ASP A 63 14.432 -34.021 5.425 1.00 73.01 H new ATOM 1021 N VAL A 64 13.612 -32.663 8.445 1.00 22.25 N ATOM 1022 CA VAL A 64 14.414 -32.616 9.661 1.00 63.30 C ATOM 1023 C VAL A 64 14.786 -34.018 10.130 1.00 51.12 C ATOM 1024 O VAL A 64 13.934 -34.775 10.596 1.00 75.14 O ATOM 1025 CB VAL A 64 13.670 -31.887 10.796 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.573 -31.729 12.010 1.00 52.52 C ATOM 1027 CG2 VAL A 64 13.163 -30.535 10.319 1.00 14.04 C ATOM 0 H VAL A 64 12.654 -32.985 8.584 1.00 22.25 H new ATOM 0 HA VAL A 64 15.323 -32.065 9.419 1.00 63.30 H new ATOM 0 HB VAL A 64 12.809 -32.489 11.088 1.00 43.02 H new ATOM 0 HG11 VAL A 64 14.031 -31.212 12.802 1.00 52.52 H new ATOM 0 HG12 VAL A 64 14.882 -32.712 12.364 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.454 -31.149 11.735 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.640 -30.034 11.134 1.00 14.04 H new ATOM 0 HG22 VAL A 64 14.006 -29.923 9.998 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.479 -30.677 9.482 1.00 14.04 H new ATOM 1037 N VAL A 65 16.065 -34.359 10.003 1.00 11.54 N ATOM 1038 CA VAL A 65 16.550 -35.670 10.415 1.00 13.21 C ATOM 1039 C VAL A 65 18.013 -35.605 10.841 1.00 31.21 C ATOM 1040 O VAL A 65 18.731 -34.669 10.492 1.00 25.11 O ATOM 1041 CB VAL A 65 16.403 -36.705 9.283 1.00 54.34 C ATOM 1042 CG1 VAL A 65 14.934 -36.940 8.963 1.00 54.12 C ATOM 1043 CG2 VAL A 65 17.160 -36.250 8.045 1.00 31.51 C ATOM 0 H VAL A 65 16.783 -33.745 9.618 1.00 11.54 H new ATOM 0 HA VAL A 65 15.940 -35.981 11.263 1.00 13.21 H new ATOM 0 HB VAL A 65 16.833 -37.649 9.618 1.00 54.34 H new ATOM 0 HG11 VAL A 65 14.849 -37.674 8.161 1.00 54.12 H new ATOM 0 HG12 VAL A 65 14.423 -37.312 9.851 1.00 54.12 H new ATOM 0 HG13 VAL A 65 14.476 -36.003 8.647 1.00 54.12 H new ATOM 0 HG21 VAL A 65 17.046 -36.993 7.255 1.00 31.51 H new ATOM 0 HG22 VAL A 65 16.761 -35.294 7.705 1.00 31.51 H new ATOM 0 HG23 VAL A 65 18.217 -36.137 8.286 1.00 31.51 H new ATOM 1053 N ASP A 66 18.447 -36.606 11.599 1.00 62.52 N ATOM 1054 CA ASP A 66 19.825 -36.664 12.073 1.00 23.33 C ATOM 1055 C ASP A 66 20.765 -37.109 10.957 1.00 21.04 C ATOM 1056 O ASP A 66 21.962 -36.827 10.992 1.00 0.24 O ATOM 1057 CB ASP A 66 19.937 -37.619 13.262 1.00 11.32 C ATOM 1058 CG ASP A 66 21.216 -37.413 14.051 1.00 10.50 C ATOM 1059 OD1 ASP A 66 21.961 -36.463 13.735 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 21.472 -38.203 14.985 1.00 32.13 O ATOM 0 H ASP A 66 17.865 -37.388 11.898 1.00 62.52 H new ATOM 0 HA ASP A 66 20.117 -35.663 12.392 1.00 23.33 H new ATOM 0 HB2 ASP A 66 19.080 -37.477 13.921 1.00 11.32 H new ATOM 0 HB3 ASP A 66 19.896 -38.648 12.903 1.00 11.32 H new ATOM 1065 N GLU A 67 20.214 -37.807 9.969 1.00 15.03 N ATOM 1066 CA GLU A 67 21.004 -38.293 8.843 1.00 31.11 C ATOM 1067 C GLU A 67 20.418 -37.812 7.519 1.00 50.23 C ATOM 1068 O GLU A 67 19.355 -38.264 7.097 1.00 63.43 O ATOM 1069 CB GLU A 67 21.070 -39.821 8.859 1.00 55.42 C ATOM 1070 CG GLU A 67 21.824 -40.386 10.052 1.00 72.25 C ATOM 1071 CD GLU A 67 21.829 -41.902 10.075 1.00 31.21 C ATOM 1072 OE1 GLU A 67 22.684 -42.501 9.391 1.00 25.33 O1- ATOM 1073 OE2 GLU A 67 20.978 -42.489 10.775 1.00 71.05 O ATOM 0 H GLU A 67 19.224 -38.049 9.925 1.00 15.03 H new ATOM 0 HA GLU A 67 22.013 -37.892 8.941 1.00 31.11 H new ATOM 0 HB2 GLU A 67 20.056 -40.220 8.859 1.00 55.42 H new ATOM 0 HB3 GLU A 67 21.548 -40.165 7.942 1.00 55.42 H new ATOM 0 HG2 GLU A 67 22.852 -40.023 10.032 1.00 72.25 H new ATOM 0 HG3 GLU A 67 21.372 -40.014 10.972 1.00 72.25 H new ATOM 1080 N VAL A 68 21.121 -36.890 6.868 1.00 15.43 N ATOM 1081 CA VAL A 68 20.672 -36.347 5.592 1.00 65.11 C ATOM 1082 C VAL A 68 20.310 -37.462 4.617 1.00 4.00 C ATOM 1083 O VAL A 68 21.183 -38.166 4.110 1.00 42.11 O ATOM 1084 CB VAL A 68 21.750 -35.451 4.952 1.00 61.52 C ATOM 1085 CG1 VAL A 68 21.291 -34.951 3.592 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.088 -34.287 5.871 1.00 63.52 C ATOM 0 H VAL A 68 22.003 -36.504 7.204 1.00 15.43 H new ATOM 0 HA VAL A 68 19.786 -35.746 5.798 1.00 65.11 H new ATOM 0 HB VAL A 68 22.653 -36.045 4.808 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.065 -34.320 3.156 1.00 71.34 H new ATOM 0 HG12 VAL A 68 21.104 -35.801 2.936 1.00 71.34 H new ATOM 0 HG13 VAL A 68 20.374 -34.373 3.707 1.00 71.34 H new ATOM 0 HG21 VAL A 68 22.851 -33.664 5.404 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.192 -33.692 6.049 1.00 63.52 H new ATOM 0 HG23 VAL A 68 22.463 -34.670 6.820 1.00 63.52 H new ATOM 1096 N TYR A 69 19.016 -37.617 4.358 1.00 32.10 N ATOM 1097 CA TYR A 69 18.538 -38.648 3.445 1.00 32.14 C ATOM 1098 C TYR A 69 18.032 -38.032 2.144 1.00 61.22 C ATOM 1099 O TYR A 69 18.004 -38.687 1.103 1.00 10.20 O ATOM 1100 CB TYR A 69 17.424 -39.464 4.103 1.00 62.24 C ATOM 1101 CG TYR A 69 17.926 -40.672 4.862 1.00 44.51 C ATOM 1102 CD1 TYR A 69 18.342 -41.815 4.191 1.00 73.44 C ATOM 1103 CD2 TYR A 69 17.983 -40.670 6.250 1.00 23.33 C ATOM 1104 CE1 TYR A 69 18.801 -42.920 4.880 1.00 1.01 C ATOM 1105 CE2 TYR A 69 18.442 -41.771 6.948 1.00 60.10 C ATOM 1106 CZ TYR A 69 18.848 -42.893 6.260 1.00 34.24 C ATOM 1107 OH TYR A 69 19.305 -43.992 6.951 1.00 60.13 O ATOM 0 H TYR A 69 18.280 -37.042 4.767 1.00 32.10 H new ATOM 0 HA TYR A 69 19.374 -39.308 3.212 1.00 32.14 H new ATOM 0 HB2 TYR A 69 16.869 -38.821 4.786 1.00 62.24 H new ATOM 0 HB3 TYR A 69 16.724 -39.793 3.335 1.00 62.24 H new ATOM 0 HD1 TYR A 69 18.306 -41.840 3.112 1.00 73.44 H new ATOM 0 HD2 TYR A 69 17.663 -39.793 6.793 1.00 23.33 H new ATOM 0 HE1 TYR A 69 19.121 -43.800 4.343 1.00 1.01 H new ATOM 0 HE2 TYR A 69 18.482 -41.752 8.027 1.00 60.10 H new ATOM 0 HH TYR A 69 19.275 -43.809 7.913 1.00 60.13 H new ATOM 1117 N ASP A 70 17.631 -36.767 2.214 1.00 20.02 N ATOM 1118 CA ASP A 70 17.127 -36.060 1.042 1.00 33.31 C ATOM 1119 C ASP A 70 18.156 -35.057 0.528 1.00 24.14 C ATOM 1120 O ASP A 70 18.136 -33.886 0.904 1.00 24.10 O ATOM 1121 CB ASP A 70 15.820 -35.341 1.378 1.00 13.03 C ATOM 1122 CG ASP A 70 14.599 -36.179 1.054 1.00 63.42 C ATOM 1123 OD1 ASP A 70 14.737 -37.417 0.965 1.00 60.34 O ATOM 1124 OD2 ASP A 70 13.506 -35.598 0.891 1.00 62.25 O1- ATOM 0 H ASP A 70 17.645 -36.211 3.069 1.00 20.02 H new ATOM 0 HA ASP A 70 16.939 -36.794 0.258 1.00 33.31 H new ATOM 0 HB2 ASP A 70 15.811 -35.086 2.438 1.00 13.03 H new ATOM 0 HB3 ASP A 70 15.771 -34.404 0.824 1.00 13.03 H new ATOM 1129 N GLN A 71 19.055 -35.526 -0.332 1.00 45.13 N ATOM 1130 CA GLN A 71 20.092 -34.671 -0.895 1.00 73.34 C ATOM 1131 C GLN A 71 19.486 -33.417 -1.518 1.00 44.25 C ATOM 1132 O GLN A 71 20.081 -32.341 -1.474 1.00 55.10 O ATOM 1133 CB GLN A 71 20.900 -35.436 -1.944 1.00 71.25 C ATOM 1134 CG GLN A 71 22.164 -34.716 -2.384 1.00 52.44 C ATOM 1135 CD GLN A 71 23.336 -34.974 -1.458 1.00 44.52 C ATOM 1136 OE1 GLN A 71 23.745 -36.117 -1.259 1.00 34.54 O ATOM 1137 NE2 GLN A 71 23.883 -33.907 -0.885 1.00 51.40 N ATOM 0 H GLN A 71 19.085 -36.494 -0.654 1.00 45.13 H new ATOM 0 HA GLN A 71 20.756 -34.368 -0.085 1.00 73.34 H new ATOM 0 HB2 GLN A 71 21.170 -36.412 -1.541 1.00 71.25 H new ATOM 0 HB3 GLN A 71 20.271 -35.614 -2.816 1.00 71.25 H new ATOM 0 HG2 GLN A 71 22.426 -35.035 -3.393 1.00 52.44 H new ATOM 0 HG3 GLN A 71 21.970 -33.644 -2.428 1.00 52.44 H new ATOM 0 HE21 GLN A 71 23.511 -32.977 -1.079 1.00 51.40 H new ATOM 0 HE22 GLN A 71 24.675 -34.018 -0.251 1.00 51.40 H new ATOM 1146 N ARG A 72 18.299 -33.566 -2.097 1.00 4.45 N ATOM 1147 CA ARG A 72 17.613 -32.447 -2.731 1.00 31.14 C ATOM 1148 C ARG A 72 17.247 -31.380 -1.701 1.00 3.13 C ATOM 1149 O ARG A 72 17.233 -30.187 -2.007 1.00 25.45 O ATOM 1150 CB ARG A 72 16.352 -32.933 -3.448 1.00 14.31 C ATOM 1151 CG ARG A 72 15.193 -33.226 -2.509 1.00 43.23 C ATOM 1152 CD ARG A 72 15.409 -34.521 -1.743 1.00 44.31 C ATOM 1153 NE ARG A 72 15.665 -35.648 -2.635 1.00 31.03 N ATOM 1154 CZ ARG A 72 14.724 -36.237 -3.363 1.00 1.35 C ATOM 1155 NH1 ARG A 72 13.471 -35.809 -3.306 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 15.036 -37.258 -4.152 1.00 72.31 N ATOM 0 H ARG A 72 17.793 -34.450 -2.140 1.00 4.45 H new ATOM 0 HA ARG A 72 18.290 -32.005 -3.462 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.041 -32.178 -4.171 1.00 14.31 H new ATOM 0 HB3 ARG A 72 16.589 -33.835 -4.011 1.00 14.31 H new ATOM 0 HG2 ARG A 72 15.076 -32.401 -1.806 1.00 43.23 H new ATOM 0 HG3 ARG A 72 14.267 -33.291 -3.081 1.00 43.23 H new ATOM 0 HD2 ARG A 72 16.249 -34.402 -1.059 1.00 44.31 H new ATOM 0 HD3 ARG A 72 14.530 -34.733 -1.134 1.00 44.31 H new ATOM 0 HE ARG A 72 16.619 -36.002 -2.703 1.00 31.03 H new ATOM 0 HH11 ARG A 72 13.227 -35.025 -2.701 1.00 20.14 H new ATOM 0 HH12 ARG A 72 12.751 -36.264 -3.867 1.00 20.14 H new ATOM 0 HH21 ARG A 72 15.999 -37.590 -4.199 1.00 72.31 H new ATOM 0 HH22 ARG A 72 14.313 -37.710 -4.711 1.00 72.31 H new ATOM 1170 N LEU A 73 16.951 -31.819 -0.483 1.00 3.20 N ATOM 1171 CA LEU A 73 16.584 -30.903 0.591 1.00 51.45 C ATOM 1172 C LEU A 73 16.532 -31.630 1.932 1.00 42.22 C ATOM 1173 O LEU A 73 15.744 -32.558 2.114 1.00 32.31 O ATOM 1174 CB LEU A 73 15.231 -30.255 0.296 1.00 24.54 C ATOM 1175 CG LEU A 73 14.027 -31.197 0.269 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.279 -31.143 1.591 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.100 -30.845 -0.886 1.00 14.14 C ATOM 0 H LEU A 73 16.958 -32.803 -0.214 1.00 3.20 H new ATOM 0 HA LEU A 73 17.346 -30.126 0.649 1.00 51.45 H new ATOM 0 HB2 LEU A 73 15.048 -29.485 1.046 1.00 24.54 H new ATOM 0 HB3 LEU A 73 15.295 -29.751 -0.669 1.00 24.54 H new ATOM 0 HG LEU A 73 14.388 -32.215 0.121 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.425 -31.820 1.554 1.00 70.54 H new ATOM 0 HD12 LEU A 73 13.946 -31.444 2.399 1.00 70.54 H new ATOM 0 HD13 LEU A 73 12.929 -30.126 1.770 1.00 70.54 H new ATOM 0 HD21 LEU A 73 12.249 -31.526 -0.890 1.00 14.14 H new ATOM 0 HD22 LEU A 73 12.745 -29.821 -0.769 1.00 14.14 H new ATOM 0 HD23 LEU A 73 13.641 -30.936 -1.828 1.00 14.14 H new ATOM 1189 N GLU A 74 17.373 -31.199 2.866 1.00 52.14 N ATOM 1190 CA GLU A 74 17.420 -31.809 4.190 1.00 53.33 C ATOM 1191 C GLU A 74 18.181 -30.922 5.171 1.00 31.14 C ATOM 1192 O GLU A 74 19.168 -30.281 4.807 1.00 54.40 O ATOM 1193 CB GLU A 74 18.077 -33.189 4.118 1.00 34.50 C ATOM 1194 CG GLU A 74 17.630 -34.135 5.219 1.00 5.55 C ATOM 1195 CD GLU A 74 18.161 -33.736 6.582 1.00 50.11 C ATOM 1196 OE1 GLU A 74 19.398 -33.729 6.758 1.00 53.23 O ATOM 1197 OE2 GLU A 74 17.342 -33.431 7.473 1.00 54.12 O1- ATOM 0 H GLU A 74 18.030 -30.431 2.731 1.00 52.14 H new ATOM 0 HA GLU A 74 16.396 -31.921 4.547 1.00 53.33 H new ATOM 0 HB2 GLU A 74 17.852 -33.639 3.151 1.00 34.50 H new ATOM 0 HB3 GLU A 74 19.159 -33.070 4.170 1.00 34.50 H new ATOM 0 HG2 GLU A 74 16.541 -34.161 5.251 1.00 5.55 H new ATOM 0 HG3 GLU A 74 17.966 -35.145 4.984 1.00 5.55 H new ATOM 1204 N ILE A 75 17.716 -30.890 6.415 1.00 62.14 N ATOM 1205 CA ILE A 75 18.352 -30.082 7.447 1.00 30.31 C ATOM 1206 C ILE A 75 18.629 -30.908 8.699 1.00 75.04 C ATOM 1207 O ILE A 75 17.726 -31.532 9.255 1.00 14.04 O ATOM 1208 CB ILE A 75 17.483 -28.869 7.830 1.00 50.21 C ATOM 1209 CG1 ILE A 75 18.050 -28.178 9.071 1.00 4.55 C ATOM 1210 CG2 ILE A 75 16.044 -29.303 8.069 1.00 62.41 C ATOM 1211 CD1 ILE A 75 18.037 -26.667 8.980 1.00 31.35 C ATOM 0 H ILE A 75 16.901 -31.415 6.732 1.00 62.14 H new ATOM 0 HA ILE A 75 19.295 -29.727 7.031 1.00 30.31 H new ATOM 0 HB ILE A 75 17.495 -28.157 7.005 1.00 50.21 H new ATOM 0 HG12 ILE A 75 17.474 -28.486 9.944 1.00 4.55 H new ATOM 0 HG13 ILE A 75 19.074 -28.516 9.229 1.00 4.55 H new ATOM 0 HG21 ILE A 75 15.442 -28.435 8.339 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.644 -29.754 7.161 1.00 62.41 H new ATOM 0 HG23 ILE A 75 16.013 -30.032 8.879 1.00 62.41 H new ATOM 0 HD11 ILE A 75 18.453 -26.244 9.894 1.00 31.35 H new ATOM 0 HD12 ILE A 75 18.637 -26.349 8.127 1.00 31.35 H new ATOM 0 HD13 ILE A 75 17.012 -26.319 8.853 1.00 31.35 H new ATOM 1223 N SER A 76 19.884 -30.907 9.137 1.00 72.03 N ATOM 1224 CA SER A 76 20.281 -31.658 10.322 1.00 2.32 C ATOM 1225 C SER A 76 19.377 -31.325 11.505 1.00 11.44 C ATOM 1226 O SER A 76 19.067 -30.160 11.754 1.00 13.53 O ATOM 1227 CB SER A 76 21.738 -31.356 10.678 1.00 63.42 C ATOM 1228 OG SER A 76 22.338 -32.454 11.344 1.00 63.00 O ATOM 0 H SER A 76 20.643 -30.394 8.689 1.00 72.03 H new ATOM 0 HA SER A 76 20.181 -32.720 10.099 1.00 2.32 H new ATOM 0 HB2 SER A 76 22.297 -31.127 9.771 1.00 63.42 H new ATOM 0 HB3 SER A 76 21.785 -30.472 11.313 1.00 63.42 H new ATOM 0 HG SER A 76 23.269 -32.237 11.559 1.00 63.00 H new ATOM 1234 N ILE A 77 18.958 -32.356 12.229 1.00 32.21 N ATOM 1235 CA ILE A 77 18.090 -32.174 13.386 1.00 42.24 C ATOM 1236 C ILE A 77 18.657 -31.130 14.339 1.00 3.30 C ATOM 1237 O ILE A 77 17.921 -30.306 14.882 1.00 62.34 O ATOM 1238 CB ILE A 77 17.887 -33.496 14.151 1.00 2.05 C ATOM 1239 CG1 ILE A 77 17.047 -33.259 15.408 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.231 -34.109 14.514 1.00 44.33 C ATOM 1241 CD1 ILE A 77 15.686 -32.666 15.122 1.00 2.10 C ATOM 0 H ILE A 77 19.205 -33.326 12.035 1.00 32.21 H new ATOM 0 HA ILE A 77 17.127 -31.831 13.007 1.00 42.24 H new ATOM 0 HB ILE A 77 17.353 -34.194 13.506 1.00 2.05 H new ATOM 0 HG12 ILE A 77 16.919 -34.205 15.933 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.591 -32.593 16.078 1.00 61.14 H new ATOM 0 HG21 ILE A 77 19.071 -35.042 15.054 1.00 44.33 H new ATOM 0 HG22 ILE A 77 19.798 -34.308 13.604 1.00 44.33 H new ATOM 0 HG23 ILE A 77 19.789 -33.416 15.144 1.00 44.33 H new ATOM 0 HD11 ILE A 77 15.146 -32.525 16.059 1.00 2.10 H new ATOM 0 HD12 ILE A 77 15.806 -31.704 14.624 1.00 2.10 H new ATOM 0 HD13 ILE A 77 15.123 -33.341 14.477 1.00 2.10 H new ATOM 1253 N GLU A 78 19.971 -31.169 14.537 1.00 30.11 N ATOM 1254 CA GLU A 78 20.638 -30.223 15.425 1.00 0.34 C ATOM 1255 C GLU A 78 20.687 -28.832 14.802 1.00 42.21 C ATOM 1256 O GLU A 78 20.643 -27.823 15.504 1.00 45.21 O ATOM 1257 CB GLU A 78 22.056 -30.701 15.744 1.00 12.10 C ATOM 1258 CG GLU A 78 22.950 -30.811 14.522 1.00 52.02 C ATOM 1259 CD GLU A 78 24.319 -31.378 14.849 1.00 3.31 C ATOM 1260 OE1 GLU A 78 24.397 -32.573 15.203 1.00 41.43 O1- ATOM 1261 OE2 GLU A 78 25.310 -30.627 14.749 1.00 44.14 O ATOM 0 H GLU A 78 20.594 -31.845 14.095 1.00 30.11 H new ATOM 0 HA GLU A 78 20.064 -30.167 16.350 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.511 -30.012 16.456 1.00 12.10 H new ATOM 0 HB3 GLU A 78 22.001 -31.674 16.232 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.466 -31.445 13.779 1.00 52.02 H new ATOM 0 HG3 GLU A 78 23.067 -29.825 14.072 1.00 52.02 H new ATOM 1268 N GLU A 79 20.778 -28.787 13.476 1.00 34.12 N ATOM 1269 CA GLU A 79 20.835 -27.520 12.756 1.00 41.22 C ATOM 1270 C GLU A 79 19.573 -26.698 13.002 1.00 73.11 C ATOM 1271 O GLU A 79 19.645 -25.499 13.275 1.00 3.25 O ATOM 1272 CB GLU A 79 21.012 -27.767 11.257 1.00 40.51 C ATOM 1273 CG GLU A 79 21.174 -26.493 10.445 1.00 71.40 C ATOM 1274 CD GLU A 79 22.620 -26.050 10.338 1.00 23.32 C ATOM 1275 OE1 GLU A 79 23.432 -26.803 9.762 1.00 25.22 O ATOM 1276 OE2 GLU A 79 22.940 -24.947 10.832 1.00 73.13 O1- ATOM 0 H GLU A 79 20.814 -29.613 12.879 1.00 34.12 H new ATOM 0 HA GLU A 79 21.692 -26.958 13.127 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.886 -28.400 11.102 1.00 40.51 H new ATOM 0 HB3 GLU A 79 20.149 -28.318 10.884 1.00 40.51 H new ATOM 0 HG2 GLU A 79 20.771 -26.650 9.445 1.00 71.40 H new ATOM 0 HG3 GLU A 79 20.587 -25.697 10.903 1.00 71.40 H new ATOM 1283 N ALA A 80 18.421 -27.351 12.905 1.00 23.40 N ATOM 1284 CA ALA A 80 17.143 -26.682 13.118 1.00 41.12 C ATOM 1285 C ALA A 80 17.027 -26.164 14.548 1.00 13.05 C ATOM 1286 O ALA A 80 16.411 -25.127 14.793 1.00 13.31 O ATOM 1287 CB ALA A 80 15.993 -27.627 12.801 1.00 63.34 C ATOM 0 H ALA A 80 18.345 -28.343 12.680 1.00 23.40 H new ATOM 0 HA ALA A 80 17.091 -25.827 12.444 1.00 41.12 H new ATOM 0 HB1 ALA A 80 15.045 -27.114 12.964 1.00 63.34 H new ATOM 0 HB2 ALA A 80 16.059 -27.944 11.760 1.00 63.34 H new ATOM 0 HB3 ALA A 80 16.050 -28.500 13.451 1.00 63.34 H new ATOM 1293 N GLN A 81 17.621 -26.893 15.486 1.00 53.33 N ATOM 1294 CA GLN A 81 17.582 -26.507 16.891 1.00 55.10 C ATOM 1295 C GLN A 81 18.231 -25.142 17.100 1.00 65.05 C ATOM 1296 O GLN A 81 17.867 -24.403 18.013 1.00 13.14 O ATOM 1297 CB GLN A 81 18.288 -27.557 17.751 1.00 55.14 C ATOM 1298 CG GLN A 81 17.555 -28.887 17.811 1.00 15.04 C ATOM 1299 CD GLN A 81 18.368 -29.972 18.489 1.00 74.24 C ATOM 1300 OE1 GLN A 81 19.426 -29.706 19.060 1.00 60.45 O ATOM 1301 NE2 GLN A 81 17.877 -31.204 18.430 1.00 12.11 N ATOM 0 H GLN A 81 18.135 -27.754 15.299 1.00 53.33 H new ATOM 0 HA GLN A 81 16.537 -26.442 17.194 1.00 55.10 H new ATOM 0 HB2 GLN A 81 19.291 -27.722 17.358 1.00 55.14 H new ATOM 0 HB3 GLN A 81 18.402 -27.169 18.763 1.00 55.14 H new ATOM 0 HG2 GLN A 81 16.615 -28.755 18.346 1.00 15.04 H new ATOM 0 HG3 GLN A 81 17.304 -29.205 16.799 1.00 15.04 H new ATOM 0 HE21 GLN A 81 16.996 -31.379 17.946 1.00 12.11 H new ATOM 0 HE22 GLN A 81 18.380 -31.975 18.869 1.00 12.11 H new ATOM 1310 N GLY A 82 19.197 -24.815 16.246 1.00 10.33 N ATOM 1311 CA GLY A 82 19.882 -23.540 16.354 1.00 0.41 C ATOM 1312 C GLY A 82 18.921 -22.368 16.404 1.00 3.45 C ATOM 1313 O GLY A 82 19.115 -21.432 17.180 1.00 20.11 O ATOM 0 H GLY A 82 19.517 -25.410 15.482 1.00 10.33 H new ATOM 0 HA2 GLY A 82 20.500 -23.538 17.252 1.00 0.41 H new ATOM 0 HA3 GLY A 82 20.554 -23.419 15.504 1.00 0.41 H new ATOM 1317 N ILE A 83 17.885 -22.419 15.575 1.00 31.40 N ATOM 1318 CA ILE A 83 16.891 -21.353 15.529 1.00 1.12 C ATOM 1319 C ILE A 83 15.636 -21.738 16.304 1.00 73.35 C ATOM 1320 O ILE A 83 14.892 -20.874 16.769 1.00 13.12 O ATOM 1321 CB ILE A 83 16.502 -21.010 14.079 1.00 1.41 C ATOM 1322 CG1 ILE A 83 15.836 -22.214 13.408 1.00 4.34 C ATOM 1323 CG2 ILE A 83 17.726 -20.568 13.292 1.00 22.22 C ATOM 1324 CD1 ILE A 83 15.354 -21.932 12.002 1.00 2.43 C ATOM 0 H ILE A 83 17.711 -23.186 14.926 1.00 31.40 H new ATOM 0 HA ILE A 83 17.345 -20.477 15.992 1.00 1.12 H new ATOM 0 HB ILE A 83 15.788 -20.186 14.095 1.00 1.41 H new ATOM 0 HG12 ILE A 83 16.544 -23.042 13.381 1.00 4.34 H new ATOM 0 HG13 ILE A 83 14.990 -22.537 14.015 1.00 4.34 H new ATOM 0 HG21 ILE A 83 17.434 -20.329 12.269 1.00 22.22 H new ATOM 0 HG22 ILE A 83 18.161 -19.685 13.761 1.00 22.22 H new ATOM 0 HG23 ILE A 83 18.461 -21.372 13.281 1.00 22.22 H new ATOM 0 HD11 ILE A 83 14.893 -22.829 11.589 1.00 2.43 H new ATOM 0 HD12 ILE A 83 14.622 -21.125 12.023 1.00 2.43 H new ATOM 0 HD13 ILE A 83 16.199 -21.639 11.380 1.00 2.43 H new ATOM 1336 N HIS A 84 15.407 -23.040 16.440 1.00 63.03 N ATOM 1337 CA HIS A 84 14.242 -23.540 17.161 1.00 54.51 C ATOM 1338 C HIS A 84 14.479 -24.963 17.657 1.00 12.33 C ATOM 1339 O HIS A 84 14.325 -25.937 16.920 1.00 53.42 O ATOM 1340 CB HIS A 84 13.004 -23.500 16.264 1.00 32.52 C ATOM 1341 CG HIS A 84 11.777 -22.993 16.958 1.00 13.05 C ATOM 1342 ND1 HIS A 84 11.463 -23.317 18.262 1.00 42.33 N ATOM 1343 CD2 HIS A 84 10.785 -22.182 16.523 1.00 40.41 C ATOM 1344 CE1 HIS A 84 10.329 -22.726 18.597 1.00 4.32 C ATOM 1345 NE2 HIS A 84 9.899 -22.031 17.560 1.00 13.00 N ATOM 0 H HIS A 84 16.013 -23.768 16.061 1.00 63.03 H new ATOM 0 HA HIS A 84 14.077 -22.896 18.025 1.00 54.51 H new ATOM 0 HB2 HIS A 84 13.211 -22.867 15.401 1.00 32.52 H new ATOM 0 HB3 HIS A 84 12.808 -24.503 15.884 1.00 32.52 H new ATOM 0 HD2 HIS A 84 10.705 -21.737 15.542 1.00 40.41 H new ATOM 0 HE1 HIS A 84 9.838 -22.799 19.556 1.00 4.32 H new ATOM 0 HE2 HIS A 84 9.046 -21.472 17.534 1.00 13.00 H new ATOM 1353 N PRO A 85 14.864 -25.088 18.936 1.00 51.33 N ATOM 1354 CA PRO A 85 15.131 -26.389 19.559 1.00 21.45 C ATOM 1355 C PRO A 85 13.860 -27.207 19.758 1.00 1.12 C ATOM 1356 O PRO A 85 13.919 -28.378 20.135 1.00 55.23 O ATOM 1357 CB PRO A 85 15.745 -26.014 20.910 1.00 54.51 C ATOM 1358 CG PRO A 85 15.214 -24.655 21.203 1.00 23.33 C ATOM 1359 CD PRO A 85 15.067 -23.970 19.873 1.00 35.21 C ATOM 0 HA PRO A 85 15.776 -27.014 18.941 1.00 21.45 H new ATOM 0 HB2 PRO A 85 15.461 -26.726 21.685 1.00 54.51 H new ATOM 0 HB3 PRO A 85 16.834 -26.012 20.863 1.00 54.51 H new ATOM 0 HG2 PRO A 85 14.256 -24.714 21.719 1.00 23.33 H new ATOM 0 HG3 PRO A 85 15.893 -24.103 21.853 1.00 23.33 H new ATOM 0 HD2 PRO A 85 14.222 -23.281 19.867 1.00 35.21 H new ATOM 0 HD3 PRO A 85 15.954 -23.389 19.620 1.00 35.21 H new ATOM 1367 N GLU A 86 12.714 -26.585 19.503 1.00 11.24 N ATOM 1368 CA GLU A 86 11.429 -27.257 19.656 1.00 2.30 C ATOM 1369 C GLU A 86 11.216 -28.283 18.546 1.00 54.33 C ATOM 1370 O GLU A 86 10.382 -29.181 18.666 1.00 72.01 O ATOM 1371 CB GLU A 86 10.290 -26.236 19.648 1.00 32.11 C ATOM 1372 CG GLU A 86 10.181 -25.437 20.935 1.00 10.02 C ATOM 1373 CD GLU A 86 9.621 -26.253 22.084 1.00 32.22 C ATOM 1374 OE1 GLU A 86 8.611 -26.955 21.875 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 10.193 -26.188 23.192 1.00 32.50 O ATOM 0 H GLU A 86 12.649 -25.617 19.189 1.00 11.24 H new ATOM 0 HA GLU A 86 11.432 -27.778 20.613 1.00 2.30 H new ATOM 0 HB2 GLU A 86 10.435 -25.549 18.815 1.00 32.11 H new ATOM 0 HB3 GLU A 86 9.348 -26.756 19.472 1.00 32.11 H new ATOM 0 HG2 GLU A 86 11.167 -25.060 21.209 1.00 10.02 H new ATOM 0 HG3 GLU A 86 9.543 -24.569 20.766 1.00 10.02 H new ATOM 1382 N TYR A 87 11.976 -28.142 17.466 1.00 13.33 N ATOM 1383 CA TYR A 87 11.869 -29.053 16.332 1.00 62.40 C ATOM 1384 C TYR A 87 12.189 -30.484 16.752 1.00 30.01 C ATOM 1385 O TYR A 87 12.584 -30.736 17.890 1.00 64.21 O ATOM 1386 CB TYR A 87 12.812 -28.616 15.209 1.00 41.24 C ATOM 1387 CG TYR A 87 12.313 -27.418 14.431 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.997 -27.350 13.992 1.00 4.14 C ATOM 1389 CD2 TYR A 87 13.158 -26.355 14.137 1.00 24.43 C ATOM 1390 CE1 TYR A 87 10.536 -26.258 13.281 1.00 10.23 C ATOM 1391 CE2 TYR A 87 12.707 -25.260 13.427 1.00 41.22 C ATOM 1392 CZ TYR A 87 11.395 -25.215 13.001 1.00 73.33 C ATOM 1393 OH TYR A 87 10.941 -24.126 12.295 1.00 33.41 O ATOM 0 H TYR A 87 12.673 -27.406 17.352 1.00 13.33 H new ATOM 0 HA TYR A 87 10.842 -29.021 15.968 1.00 62.40 H new ATOM 0 HB2 TYR A 87 13.787 -28.381 15.636 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.957 -29.450 14.522 1.00 41.24 H new ATOM 0 HD1 TYR A 87 10.322 -28.165 14.210 1.00 4.14 H new ATOM 0 HD2 TYR A 87 14.185 -26.386 14.469 1.00 24.43 H new ATOM 0 HE1 TYR A 87 9.510 -26.221 12.947 1.00 10.23 H new ATOM 0 HE2 TYR A 87 13.378 -24.443 13.206 1.00 41.22 H new ATOM 0 HH TYR A 87 10.386 -24.430 11.546 1.00 33.41 H new ATOM 1403 N MET A 88 12.018 -31.418 15.822 1.00 30.33 N ATOM 1404 CA MET A 88 12.289 -32.825 16.094 1.00 15.53 C ATOM 1405 C MET A 88 12.368 -33.625 14.797 1.00 10.42 C ATOM 1406 O MET A 88 11.748 -33.264 13.796 1.00 24.25 O ATOM 1407 CB MET A 88 11.206 -33.410 17.002 1.00 14.22 C ATOM 1408 CG MET A 88 11.461 -34.856 17.397 1.00 4.24 C ATOM 1409 SD MET A 88 12.991 -35.063 18.329 1.00 21.05 S ATOM 1410 CE MET A 88 12.743 -33.883 19.653 1.00 34.51 C ATOM 0 H MET A 88 11.693 -31.226 14.874 1.00 30.33 H new ATOM 0 HA MET A 88 13.252 -32.891 16.600 1.00 15.53 H new ATOM 0 HB2 MET A 88 11.133 -32.803 17.904 1.00 14.22 H new ATOM 0 HB3 MET A 88 10.243 -33.345 16.495 1.00 14.22 H new ATOM 0 HG2 MET A 88 10.624 -35.218 17.995 1.00 4.24 H new ATOM 0 HG3 MET A 88 11.501 -35.472 16.499 1.00 4.24 H new ATOM 0 HE1 MET A 88 13.413 -34.118 20.480 1.00 34.51 H new ATOM 0 HE2 MET A 88 12.955 -32.878 19.289 1.00 34.51 H new ATOM 0 HE3 MET A 88 11.710 -33.934 19.997 1.00 34.51 H new ATOM 1420 N VAL A 89 13.134 -34.711 14.822 1.00 2.14 N ATOM 1421 CA VAL A 89 13.292 -35.561 13.648 1.00 32.25 C ATOM 1422 C VAL A 89 11.939 -36.026 13.120 1.00 31.51 C ATOM 1423 O VAL A 89 11.144 -36.612 13.852 1.00 22.02 O ATOM 1424 CB VAL A 89 14.160 -36.794 13.961 1.00 43.25 C ATOM 1425 CG1 VAL A 89 14.290 -37.681 12.732 1.00 5.33 C ATOM 1426 CG2 VAL A 89 15.529 -36.367 14.468 1.00 64.13 C ATOM 0 H VAL A 89 13.655 -35.023 15.642 1.00 2.14 H new ATOM 0 HA VAL A 89 13.789 -34.960 12.886 1.00 32.25 H new ATOM 0 HB VAL A 89 13.671 -37.371 14.746 1.00 43.25 H new ATOM 0 HG11 VAL A 89 14.907 -38.547 12.972 1.00 5.33 H new ATOM 0 HG12 VAL A 89 13.301 -38.015 12.418 1.00 5.33 H new ATOM 0 HG13 VAL A 89 14.756 -37.117 11.924 1.00 5.33 H new ATOM 0 HG21 VAL A 89 16.129 -37.251 14.684 1.00 64.13 H new ATOM 0 HG22 VAL A 89 16.028 -35.767 13.707 1.00 64.13 H new ATOM 0 HG23 VAL A 89 15.413 -35.776 15.377 1.00 64.13 H new ATOM 1436 N GLY A 90 11.687 -35.761 11.842 1.00 61.31 N ATOM 1437 CA GLY A 90 10.429 -36.160 11.236 1.00 5.34 C ATOM 1438 C GLY A 90 9.544 -34.975 10.905 1.00 73.20 C ATOM 1439 O GLY A 90 8.633 -35.082 10.083 1.00 73.05 O ATOM 0 H GLY A 90 12.331 -35.278 11.215 1.00 61.31 H new ATOM 0 HA2 GLY A 90 10.631 -36.725 10.326 1.00 5.34 H new ATOM 0 HA3 GLY A 90 9.898 -36.828 11.914 1.00 5.34 H new ATOM 1443 N ASP A 91 9.810 -33.841 11.545 1.00 14.12 N ATOM 1444 CA ASP A 91 9.030 -32.631 11.314 1.00 22.15 C ATOM 1445 C ASP A 91 9.604 -31.829 10.151 1.00 32.31 C ATOM 1446 O ASP A 91 10.498 -32.293 9.443 1.00 53.31 O ATOM 1447 CB ASP A 91 8.999 -31.770 12.578 1.00 12.13 C ATOM 1448 CG ASP A 91 7.591 -31.372 12.973 1.00 44.21 C ATOM 1449 OD1 ASP A 91 6.797 -32.270 13.324 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.280 -30.163 12.929 1.00 3.14 O ATOM 0 H ASP A 91 10.560 -33.735 12.228 1.00 14.12 H new ATOM 0 HA ASP A 91 8.012 -32.927 11.060 1.00 22.15 H new ATOM 0 HB2 ASP A 91 9.462 -32.318 13.399 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.596 -30.872 12.417 1.00 12.13 H new ATOM 1455 N VAL A 92 9.083 -30.621 9.957 1.00 31.51 N ATOM 1456 CA VAL A 92 9.543 -29.754 8.880 1.00 42.33 C ATOM 1457 C VAL A 92 9.789 -28.336 9.383 1.00 75.52 C ATOM 1458 O VAL A 92 9.126 -27.870 10.310 1.00 53.31 O ATOM 1459 CB VAL A 92 8.527 -29.708 7.723 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.577 -30.996 6.916 1.00 55.14 C ATOM 1461 CG2 VAL A 92 7.124 -29.457 8.256 1.00 61.45 C ATOM 0 H VAL A 92 8.342 -30.221 10.532 1.00 31.51 H new ATOM 0 HA VAL A 92 10.480 -30.174 8.514 1.00 42.33 H new ATOM 0 HB VAL A 92 8.793 -28.883 7.062 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.852 -30.945 6.103 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.577 -31.128 6.503 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.338 -31.840 7.563 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.419 -29.428 7.425 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.846 -30.259 8.940 1.00 61.45 H new ATOM 0 HG23 VAL A 92 7.101 -28.504 8.785 1.00 61.45 H new ATOM 1471 N VAL A 93 10.746 -27.652 8.764 1.00 53.22 N ATOM 1472 CA VAL A 93 11.079 -26.285 9.148 1.00 1.40 C ATOM 1473 C VAL A 93 10.968 -25.338 7.957 1.00 13.54 C ATOM 1474 O VAL A 93 11.283 -25.707 6.827 1.00 42.32 O ATOM 1475 CB VAL A 93 12.501 -26.196 9.730 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.514 -26.779 8.757 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.848 -24.755 10.072 1.00 1.50 C ATOM 0 H VAL A 93 11.304 -28.022 7.995 1.00 53.22 H new ATOM 0 HA VAL A 93 10.363 -25.987 9.914 1.00 1.40 H new ATOM 0 HB VAL A 93 12.535 -26.782 10.648 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.514 -26.707 9.186 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.275 -27.825 8.567 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.480 -26.223 7.820 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.857 -24.711 10.482 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.796 -24.144 9.171 1.00 1.50 H new ATOM 0 HG23 VAL A 93 12.140 -24.375 10.809 1.00 1.50 H new ATOM 1487 N GLU A 94 10.519 -24.114 8.222 1.00 63.33 N ATOM 1488 CA GLU A 94 10.368 -23.114 7.172 1.00 13.04 C ATOM 1489 C GLU A 94 11.285 -21.921 7.420 1.00 14.14 C ATOM 1490 O GLU A 94 11.200 -21.265 8.458 1.00 22.33 O ATOM 1491 CB GLU A 94 8.913 -22.646 7.089 1.00 72.23 C ATOM 1492 CG GLU A 94 8.075 -23.436 6.100 1.00 51.42 C ATOM 1493 CD GLU A 94 6.598 -23.423 6.445 1.00 45.35 C ATOM 1494 OE1 GLU A 94 6.183 -22.552 7.239 1.00 3.23 O ATOM 1495 OE2 GLU A 94 5.859 -24.282 5.923 1.00 11.44 O1- ATOM 0 H GLU A 94 10.254 -23.792 9.153 1.00 63.33 H new ATOM 0 HA GLU A 94 10.649 -23.574 6.224 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.459 -22.720 8.077 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.894 -21.593 6.808 1.00 72.23 H new ATOM 0 HG2 GLU A 94 8.214 -23.024 5.101 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.429 -24.467 6.072 1.00 51.42 H new ATOM 1502 N ILE A 95 12.162 -21.646 6.460 1.00 43.41 N ATOM 1503 CA ILE A 95 13.095 -20.532 6.574 1.00 24.11 C ATOM 1504 C ILE A 95 12.884 -19.520 5.453 1.00 51.42 C ATOM 1505 O ILE A 95 12.674 -19.894 4.299 1.00 43.44 O ATOM 1506 CB ILE A 95 14.557 -21.017 6.545 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.742 -22.205 7.490 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.499 -19.882 6.921 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.519 -23.546 6.825 1.00 4.40 C ATOM 0 H ILE A 95 12.246 -22.180 5.595 1.00 43.41 H new ATOM 0 HA ILE A 95 12.898 -20.053 7.533 1.00 24.11 H new ATOM 0 HB ILE A 95 14.797 -21.342 5.533 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.750 -22.177 7.903 1.00 21.22 H new ATOM 0 HG13 ILE A 95 14.051 -22.104 8.327 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.528 -20.240 6.896 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.383 -19.062 6.212 1.00 24.14 H new ATOM 0 HG23 ILE A 95 15.262 -19.530 7.925 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.667 -24.343 7.554 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.502 -23.594 6.436 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.227 -23.668 6.006 1.00 4.40 H new ATOM 1521 N GLU A 96 12.944 -18.239 5.799 1.00 15.41 N ATOM 1522 CA GLU A 96 12.759 -17.174 4.821 1.00 4.20 C ATOM 1523 C GLU A 96 13.698 -17.359 3.632 1.00 3.25 C ATOM 1524 O GLU A 96 14.919 -17.380 3.788 1.00 21.32 O ATOM 1525 CB GLU A 96 13.001 -15.809 5.468 1.00 33.11 C ATOM 1526 CG GLU A 96 14.274 -15.745 6.297 1.00 44.11 C ATOM 1527 CD GLU A 96 13.998 -15.542 7.775 1.00 24.12 C ATOM 1528 OE1 GLU A 96 13.107 -14.732 8.106 1.00 23.44 O1- ATOM 1529 OE2 GLU A 96 14.673 -16.194 8.598 1.00 64.34 O ATOM 0 H GLU A 96 13.119 -17.913 6.749 1.00 15.41 H new ATOM 0 HA GLU A 96 11.731 -17.220 4.462 1.00 4.20 H new ATOM 0 HB2 GLU A 96 13.047 -15.049 4.688 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.151 -15.562 6.104 1.00 33.11 H new ATOM 0 HG2 GLU A 96 14.839 -16.667 6.160 1.00 44.11 H new ATOM 0 HG3 GLU A 96 14.900 -14.930 5.933 1.00 44.11 H new ATOM 1536 N VAL A 97 13.118 -17.492 2.443 1.00 52.41 N ATOM 1537 CA VAL A 97 13.902 -17.676 1.227 1.00 41.24 C ATOM 1538 C VAL A 97 13.399 -16.771 0.108 1.00 64.02 C ATOM 1539 O VAL A 97 13.767 -16.940 -1.055 1.00 40.42 O ATOM 1540 CB VAL A 97 13.862 -19.139 0.749 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.509 -19.461 0.131 1.00 41.13 C ATOM 1542 CG2 VAL A 97 14.986 -19.408 -0.241 1.00 14.33 C ATOM 0 H VAL A 97 12.109 -17.476 2.296 1.00 52.41 H new ATOM 0 HA VAL A 97 14.931 -17.411 1.470 1.00 41.24 H new ATOM 0 HB VAL A 97 14.006 -19.789 1.612 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.499 -20.499 -0.201 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.725 -19.310 0.873 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.333 -18.805 -0.722 1.00 41.13 H new ATOM 0 HG21 VAL A 97 14.942 -20.447 -0.568 1.00 14.33 H new ATOM 0 HG22 VAL A 97 14.876 -18.751 -1.104 1.00 14.33 H new ATOM 0 HG23 VAL A 97 15.946 -19.219 0.239 1.00 14.33 H new ATOM 1552 N THR A 98 12.554 -15.810 0.466 1.00 74.11 N ATOM 1553 CA THR A 98 11.998 -14.879 -0.508 1.00 21.42 C ATOM 1554 C THR A 98 13.016 -13.810 -0.889 1.00 23.55 C ATOM 1555 O THR A 98 13.757 -13.297 -0.050 1.00 72.05 O ATOM 1556 CB THR A 98 10.728 -14.194 0.031 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.087 -13.456 -1.016 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.064 -13.260 1.184 1.00 33.24 C ATOM 0 H THR A 98 12.239 -15.656 1.424 1.00 74.11 H new ATOM 0 HA THR A 98 11.740 -15.462 -1.392 1.00 21.42 H new ATOM 0 HB THR A 98 10.052 -14.968 0.396 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.280 -13.025 -0.665 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.151 -12.788 1.548 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.525 -13.830 1.991 1.00 33.24 H new ATOM 0 HG23 THR A 98 11.757 -12.492 0.840 1.00 33.24 H new ATOM 1566 N PRO A 99 13.054 -13.463 -2.183 1.00 61.42 N ATOM 1567 CA PRO A 99 13.977 -12.450 -2.705 1.00 22.35 C ATOM 1568 C PRO A 99 13.617 -11.043 -2.237 1.00 21.13 C ATOM 1569 O PRO A 99 12.472 -10.771 -1.879 1.00 4.33 O ATOM 1570 CB PRO A 99 13.814 -12.568 -4.222 1.00 33.45 C ATOM 1571 CG PRO A 99 12.445 -13.126 -4.413 1.00 23.31 C ATOM 1572 CD PRO A 99 12.200 -14.032 -3.239 1.00 75.43 C ATOM 0 HA PRO A 99 14.998 -12.612 -2.360 1.00 22.35 H new ATOM 0 HB2 PRO A 99 13.918 -11.598 -4.708 1.00 33.45 H new ATOM 0 HB3 PRO A 99 14.572 -13.223 -4.652 1.00 33.45 H new ATOM 0 HG2 PRO A 99 11.701 -12.330 -4.454 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.375 -13.676 -5.352 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.150 -14.036 -2.947 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.473 -15.063 -3.464 1.00 75.43 H new ATOM 1580 N LYS A 100 14.603 -10.152 -2.244 1.00 1.34 N ATOM 1581 CA LYS A 100 14.391 -8.772 -1.824 1.00 31.23 C ATOM 1582 C LYS A 100 13.647 -7.984 -2.898 1.00 11.53 C ATOM 1583 O LYS A 100 13.277 -6.829 -2.689 1.00 43.02 O ATOM 1584 CB LYS A 100 15.730 -8.100 -1.518 1.00 14.02 C ATOM 1585 CG LYS A 100 16.342 -8.533 -0.197 1.00 13.24 C ATOM 1586 CD LYS A 100 17.833 -8.244 -0.151 1.00 51.30 C ATOM 1587 CE LYS A 100 18.112 -6.837 0.354 1.00 60.13 C ATOM 1588 NZ LYS A 100 19.498 -6.702 0.883 1.00 62.04 N1+ ATOM 0 H LYS A 100 15.558 -10.361 -2.536 1.00 1.34 H new ATOM 0 HA LYS A 100 13.782 -8.783 -0.920 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.430 -8.322 -2.323 1.00 14.02 H new ATOM 0 HB3 LYS A 100 15.590 -7.019 -1.507 1.00 14.02 H new ATOM 0 HG2 LYS A 100 15.845 -8.014 0.623 1.00 13.24 H new ATOM 0 HG3 LYS A 100 16.173 -9.600 -0.049 1.00 13.24 H new ATOM 0 HD2 LYS A 100 18.325 -8.969 0.497 1.00 51.30 H new ATOM 0 HD3 LYS A 100 18.259 -8.366 -1.147 1.00 51.30 H new ATOM 0 HE2 LYS A 100 17.962 -6.124 -0.456 1.00 60.13 H new ATOM 0 HE3 LYS A 100 17.398 -6.584 1.138 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 19.649 -5.729 1.217 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 19.634 -7.365 1.673 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 20.180 -6.918 0.128 1.00 62.04 H new ATOM 1602 N ASP A 101 13.429 -8.617 -4.045 1.00 23.32 N ATOM 1603 CA ASP A 101 12.727 -7.976 -5.150 1.00 41.13 C ATOM 1604 C ASP A 101 11.341 -8.583 -5.339 1.00 43.12 C ATOM 1605 O ASP A 101 10.633 -8.258 -6.293 1.00 15.43 O ATOM 1606 CB ASP A 101 13.536 -8.108 -6.442 1.00 64.01 C ATOM 1607 CG ASP A 101 14.773 -7.232 -6.443 1.00 62.02 C ATOM 1608 OD1 ASP A 101 14.861 -6.328 -5.586 1.00 24.30 O1- ATOM 1609 OD2 ASP A 101 15.654 -7.452 -7.299 1.00 12.30 O ATOM 0 H ASP A 101 13.728 -9.574 -4.234 1.00 23.32 H new ATOM 0 HA ASP A 101 12.611 -6.919 -4.910 1.00 41.13 H new ATOM 0 HB2 ASP A 101 13.831 -9.148 -6.578 1.00 64.01 H new ATOM 0 HB3 ASP A 101 12.906 -7.842 -7.291 1.00 64.01 H new ATOM 1614 N PHE A 102 10.959 -9.467 -4.424 1.00 61.52 N ATOM 1615 CA PHE A 102 9.657 -10.123 -4.491 1.00 41.25 C ATOM 1616 C PHE A 102 8.529 -9.111 -4.314 1.00 61.03 C ATOM 1617 O PHE A 102 7.395 -9.351 -4.726 1.00 73.03 O ATOM 1618 CB PHE A 102 9.554 -11.209 -3.418 1.00 42.23 C ATOM 1619 CG PHE A 102 8.906 -12.474 -3.907 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.340 -13.085 -5.071 1.00 34.02 C ATOM 1621 CD2 PHE A 102 7.861 -13.049 -3.200 1.00 61.34 C ATOM 1622 CE1 PHE A 102 8.745 -14.249 -5.522 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.263 -14.213 -3.646 1.00 54.01 C ATOM 1624 CZ PHE A 102 7.705 -14.812 -4.810 1.00 15.23 C ATOM 0 H PHE A 102 11.532 -9.746 -3.627 1.00 61.52 H new ATOM 0 HA PHE A 102 9.560 -10.582 -5.475 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.553 -11.441 -3.050 1.00 42.23 H new ATOM 0 HB3 PHE A 102 8.985 -10.821 -2.573 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.152 -12.648 -5.633 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.510 -12.583 -2.291 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.094 -14.717 -6.431 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.452 -14.653 -3.085 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.237 -15.720 -5.162 1.00 15.23 H new ATOM 1634 N GLY A 103 8.850 -7.977 -3.698 1.00 33.20 N ATOM 1635 CA GLY A 103 7.853 -6.945 -3.478 1.00 14.33 C ATOM 1636 C GLY A 103 7.106 -6.580 -4.745 1.00 14.11 C ATOM 1637 O GLY A 103 5.875 -6.578 -4.768 1.00 52.21 O ATOM 0 H GLY A 103 9.782 -7.755 -3.348 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.141 -7.286 -2.726 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.338 -6.055 -3.077 1.00 14.33 H new ATOM 1641 N ARG A 104 7.850 -6.270 -5.802 1.00 11.41 N ATOM 1642 CA ARG A 104 7.249 -5.900 -7.077 1.00 21.11 C ATOM 1643 C ARG A 104 6.771 -7.136 -7.832 1.00 54.21 C ATOM 1644 O ARG A 104 5.752 -7.098 -8.523 1.00 35.02 O ATOM 1645 CB ARG A 104 8.253 -5.123 -7.931 1.00 50.22 C ATOM 1646 CG ARG A 104 8.226 -3.623 -7.690 1.00 72.45 C ATOM 1647 CD ARG A 104 9.315 -2.912 -8.479 1.00 22.14 C ATOM 1648 NE ARG A 104 9.278 -1.466 -8.280 1.00 50.51 N ATOM 1649 CZ ARG A 104 9.682 -0.867 -7.165 1.00 32.33 C ATOM 1650 NH1 ARG A 104 10.151 -1.586 -6.155 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 9.619 0.455 -7.060 1.00 63.54 N ATOM 0 H ARG A 104 8.870 -6.268 -5.800 1.00 11.41 H new ATOM 0 HA ARG A 104 6.387 -5.265 -6.874 1.00 21.11 H new ATOM 0 HB2 ARG A 104 9.256 -5.497 -7.727 1.00 50.22 H new ATOM 0 HB3 ARG A 104 8.048 -5.317 -8.984 1.00 50.22 H new ATOM 0 HG2 ARG A 104 7.251 -3.225 -7.973 1.00 72.45 H new ATOM 0 HG3 ARG A 104 8.355 -3.422 -6.627 1.00 72.45 H new ATOM 0 HD2 ARG A 104 10.290 -3.295 -8.177 1.00 22.14 H new ATOM 0 HD3 ARG A 104 9.199 -3.135 -9.540 1.00 22.14 H new ATOM 0 HE ARG A 104 8.923 -0.884 -9.038 1.00 50.51 H new ATOM 0 HH11 ARG A 104 10.202 -2.602 -6.233 1.00 65.42 H new ATOM 0 HH12 ARG A 104 10.460 -1.124 -5.300 1.00 65.42 H new ATOM 0 HH21 ARG A 104 9.260 1.012 -7.836 1.00 63.54 H new ATOM 0 HH22 ARG A 104 9.929 0.914 -6.204 1.00 63.54 H new ATOM 1665 N ILE A 105 7.514 -8.230 -7.697 1.00 74.15 N ATOM 1666 CA ILE A 105 7.165 -9.477 -8.366 1.00 51.42 C ATOM 1667 C ILE A 105 5.787 -9.966 -7.934 1.00 31.22 C ATOM 1668 O ILE A 105 5.012 -10.466 -8.748 1.00 32.23 O ATOM 1669 CB ILE A 105 8.202 -10.579 -8.077 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.587 -10.144 -8.557 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.788 -11.882 -8.745 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.710 -11.008 -8.025 1.00 51.01 C ATOM 0 H ILE A 105 8.361 -8.278 -7.131 1.00 74.15 H new ATOM 0 HA ILE A 105 7.155 -9.269 -9.436 1.00 51.42 H new ATOM 0 HB ILE A 105 8.247 -10.743 -7.000 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.608 -10.165 -9.647 1.00 71.02 H new ATOM 0 HG13 ILE A 105 9.760 -9.111 -8.255 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.530 -12.652 -8.532 1.00 4.21 H new ATOM 0 HG22 ILE A 105 6.818 -12.196 -8.359 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.719 -11.733 -9.822 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.663 -10.641 -8.406 1.00 51.01 H new ATOM 0 HD12 ILE A 105 10.715 -10.968 -6.936 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.562 -12.038 -8.349 1.00 51.01 H new ATOM 1684 N ALA A 106 5.486 -9.814 -6.648 1.00 52.13 N ATOM 1685 CA ALA A 106 4.200 -10.236 -6.109 1.00 0.32 C ATOM 1686 C ALA A 106 3.047 -9.622 -6.895 1.00 11.13 C ATOM 1687 O ALA A 106 2.134 -10.324 -7.329 1.00 42.22 O ATOM 1688 CB ALA A 106 4.096 -9.864 -4.637 1.00 60.32 C ATOM 0 H ALA A 106 6.116 -9.401 -5.960 1.00 52.13 H new ATOM 0 HA ALA A 106 4.133 -11.320 -6.204 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.130 -10.185 -4.248 1.00 60.32 H new ATOM 0 HB2 ALA A 106 4.893 -10.356 -4.080 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.190 -8.784 -4.527 1.00 60.32 H new ATOM 1694 N ALA A 107 3.095 -8.306 -7.076 1.00 54.24 N ATOM 1695 CA ALA A 107 2.054 -7.597 -7.810 1.00 40.42 C ATOM 1696 C ALA A 107 2.098 -7.944 -9.295 1.00 61.51 C ATOM 1697 O ALA A 107 1.066 -7.973 -9.964 1.00 62.23 O ATOM 1698 CB ALA A 107 2.199 -6.095 -7.613 1.00 41.43 C ATOM 0 H ALA A 107 3.844 -7.709 -6.724 1.00 54.24 H new ATOM 0 HA ALA A 107 1.087 -7.912 -7.417 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.415 -5.578 -8.167 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.112 -5.857 -6.553 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.174 -5.773 -7.978 1.00 41.43 H new ATOM 1704 N GLN A 108 3.299 -8.204 -9.802 1.00 63.24 N ATOM 1705 CA GLN A 108 3.475 -8.548 -11.208 1.00 24.31 C ATOM 1706 C GLN A 108 2.840 -9.898 -11.522 1.00 33.31 C ATOM 1707 O GLN A 108 2.199 -10.070 -12.560 1.00 5.33 O ATOM 1708 CB GLN A 108 4.962 -8.574 -11.565 1.00 74.24 C ATOM 1709 CG GLN A 108 5.227 -8.730 -13.055 1.00 10.13 C ATOM 1710 CD GLN A 108 4.292 -7.895 -13.905 1.00 34.33 C ATOM 1711 OE1 GLN A 108 4.115 -6.699 -13.664 1.00 30.11 O ATOM 1712 NE2 GLN A 108 3.686 -8.519 -14.908 1.00 30.20 N ATOM 0 H GLN A 108 4.163 -8.183 -9.261 1.00 63.24 H new ATOM 0 HA GLN A 108 2.978 -7.786 -11.808 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.427 -7.652 -11.216 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.441 -9.395 -11.031 1.00 74.24 H new ATOM 0 HG2 GLN A 108 6.257 -8.445 -13.268 1.00 10.13 H new ATOM 0 HG3 GLN A 108 5.123 -9.779 -13.331 1.00 10.13 H new ATOM 0 HE21 GLN A 108 3.861 -9.510 -15.072 1.00 30.20 H new ATOM 0 HE22 GLN A 108 3.045 -8.007 -15.514 1.00 30.20 H new ATOM 1721 N THR A 109 3.024 -10.857 -10.620 1.00 14.35 N ATOM 1722 CA THR A 109 2.471 -12.193 -10.802 1.00 1.22 C ATOM 1723 C THR A 109 1.013 -12.250 -10.361 1.00 5.53 C ATOM 1724 O THR A 109 0.224 -13.030 -10.893 1.00 22.25 O ATOM 1725 CB THR A 109 3.275 -13.246 -10.014 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.669 -13.125 -10.317 1.00 62.10 O ATOM 1727 CG2 THR A 109 2.798 -14.652 -10.348 1.00 43.12 C ATOM 0 H THR A 109 3.552 -10.733 -9.756 1.00 14.35 H new ATOM 0 HA THR A 109 2.535 -12.419 -11.866 1.00 1.22 H new ATOM 0 HB THR A 109 3.118 -13.070 -8.950 1.00 63.33 H new ATOM 0 HG1 THR A 109 5.027 -12.318 -9.892 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.380 -15.378 -9.780 1.00 43.12 H new ATOM 0 HG22 THR A 109 1.744 -14.750 -10.089 1.00 43.12 H new ATOM 0 HG23 THR A 109 2.928 -14.837 -11.414 1.00 43.12 H new ATOM 1735 N ALA A 110 0.661 -11.417 -9.386 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.703 -11.371 -8.876 1.00 65.20 C ATOM 1737 C ALA A 110 -1.629 -10.649 -9.850 1.00 34.15 C ATOM 1738 O ALA A 110 -2.747 -11.096 -10.106 1.00 63.40 O ATOM 1739 CB ALA A 110 -0.735 -10.693 -7.514 1.00 42.13 C ATOM 0 H ALA A 110 1.302 -10.765 -8.934 1.00 1.34 H new ATOM 0 HA ALA A 110 -1.059 -12.396 -8.768 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -1.760 -10.666 -7.145 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.113 -11.251 -6.815 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.355 -9.675 -7.605 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.155 -9.531 -10.390 1.00 4.43 N ATOM 1746 CA LYS A 111 -1.940 -8.747 -11.336 1.00 13.33 C ATOM 1747 C LYS A 111 -2.256 -9.560 -12.587 1.00 33.32 C ATOM 1748 O LYS A 111 -3.339 -9.442 -13.158 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.187 -7.471 -11.719 1.00 20.42 C ATOM 1750 CG LYS A 111 0.001 -7.718 -12.634 1.00 74.20 C ATOM 1751 CD LYS A 111 -0.391 -7.614 -14.098 1.00 34.11 C ATOM 1752 CE LYS A 111 -0.088 -6.233 -14.660 1.00 74.34 C ATOM 1753 NZ LYS A 111 1.335 -6.105 -15.077 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.231 -9.148 -10.189 1.00 4.43 H new ATOM 0 HA LYS A 111 -2.880 -8.476 -10.855 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.877 -6.785 -12.210 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -0.840 -6.978 -10.811 1.00 20.42 H new ATOM 0 HG2 LYS A 111 0.787 -6.995 -12.415 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.414 -8.707 -12.436 1.00 74.20 H new ATOM 0 HD2 LYS A 111 0.146 -8.368 -14.674 1.00 34.11 H new ATOM 0 HD3 LYS A 111 -1.454 -7.827 -14.207 1.00 34.11 H new ATOM 0 HE2 LYS A 111 -0.736 -6.038 -15.515 1.00 74.34 H new ATOM 0 HE3 LYS A 111 -0.316 -5.477 -13.909 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 1.545 -5.110 -15.294 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 1.953 -6.429 -14.306 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 1.503 -6.686 -15.923 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.302 -10.385 -13.006 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.479 -11.219 -14.190 1.00 10.21 C ATOM 1769 C GLN A 112 -2.395 -12.401 -13.891 1.00 0.31 C ATOM 1770 O GLN A 112 -3.137 -12.860 -14.760 1.00 14.34 O ATOM 1771 CB GLN A 112 -0.125 -11.722 -14.693 1.00 41.41 C ATOM 1772 CG GLN A 112 0.600 -12.614 -13.698 1.00 33.01 C ATOM 1773 CD GLN A 112 1.857 -13.231 -14.276 1.00 31.12 C ATOM 1774 OE1 GLN A 112 2.624 -12.568 -14.977 1.00 53.14 O ATOM 1775 NE2 GLN A 112 2.079 -14.508 -13.987 1.00 73.33 N ATOM 0 H GLN A 112 -0.399 -10.494 -12.544 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.943 -10.610 -14.966 1.00 10.21 H new ATOM 0 HB2 GLN A 112 -0.274 -12.273 -15.622 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.507 -10.866 -14.928 1.00 41.41 H new ATOM 0 HG2 GLN A 112 0.859 -12.031 -12.815 1.00 33.01 H new ATOM 0 HG3 GLN A 112 -0.072 -13.407 -13.370 1.00 33.01 H new ATOM 0 HE21 GLN A 112 1.419 -15.021 -13.403 1.00 73.33 H new ATOM 0 HE22 GLN A 112 2.910 -14.976 -14.349 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.339 -12.889 -12.657 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.165 -14.018 -12.242 1.00 53.54 C ATOM 1786 C VAL A 113 -4.622 -13.603 -12.081 1.00 33.44 C ATOM 1787 O VAL A 113 -5.516 -14.181 -12.700 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.665 -14.622 -10.917 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -3.742 -15.491 -10.286 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.389 -15.420 -11.142 1.00 71.43 C ATOM 0 H VAL A 113 -1.730 -12.521 -11.926 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.090 -14.771 -13.027 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.440 -13.807 -10.229 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.370 -15.909 -9.351 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.627 -14.887 -10.087 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -4.002 -16.301 -10.968 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.050 -15.839 -10.195 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.585 -16.228 -11.847 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.617 -14.765 -11.546 1.00 71.43 H new ATOM 1800 N VAL A 114 -4.856 -12.596 -11.245 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.206 -12.101 -11.004 1.00 44.31 C ATOM 1802 C VAL A 114 -6.878 -11.679 -12.306 1.00 24.40 C ATOM 1803 O VAL A 114 -8.077 -11.889 -12.496 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.201 -10.906 -10.032 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -5.711 -11.338 -8.658 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.344 -9.776 -10.582 1.00 62.43 C ATOM 0 H VAL A 114 -4.128 -12.107 -10.724 1.00 62.31 H new ATOM 0 HA VAL A 114 -6.768 -12.921 -10.557 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.222 -10.539 -9.928 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -5.714 -10.481 -7.985 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.370 -12.112 -8.264 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -4.698 -11.731 -8.740 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.352 -8.940 -9.883 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.321 -10.127 -10.716 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.744 -9.450 -11.542 1.00 62.43 H new ATOM 1816 N THR A 115 -6.098 -11.083 -13.202 1.00 11.13 N ATOM 1817 CA THR A 115 -6.618 -10.631 -14.487 1.00 33.11 C ATOM 1818 C THR A 115 -6.933 -11.812 -15.399 1.00 25.41 C ATOM 1819 O THR A 115 -7.818 -11.730 -16.250 1.00 0.53 O ATOM 1820 CB THR A 115 -5.619 -9.700 -15.200 1.00 14.23 C ATOM 1821 OG1 THR A 115 -5.409 -8.517 -14.420 1.00 20.24 O ATOM 1822 CG2 THR A 115 -6.128 -9.318 -16.582 1.00 72.31 C ATOM 0 H THR A 115 -5.104 -10.902 -13.062 1.00 11.13 H new ATOM 0 HA THR A 115 -7.535 -10.080 -14.281 1.00 33.11 H new ATOM 0 HB THR A 115 -4.675 -10.233 -15.312 1.00 14.23 H new ATOM 0 HG1 THR A 115 -4.484 -8.498 -14.097 1.00 20.24 H new ATOM 0 HG21 THR A 115 -5.406 -8.660 -17.067 1.00 72.31 H new ATOM 0 HG22 THR A 115 -6.260 -10.218 -17.183 1.00 72.31 H new ATOM 0 HG23 THR A 115 -7.083 -8.802 -16.488 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.205 -12.908 -15.214 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.409 -14.105 -16.020 1.00 54.01 C ATOM 1832 C GLN A 116 -7.718 -14.794 -15.651 1.00 61.15 C ATOM 1833 O GLN A 116 -8.523 -15.127 -16.521 1.00 62.10 O ATOM 1834 CB GLN A 116 -5.240 -15.074 -15.838 1.00 65.13 C ATOM 1835 CG GLN A 116 -4.054 -14.774 -16.742 1.00 43.44 C ATOM 1836 CD GLN A 116 -2.780 -15.450 -16.275 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -1.815 -14.786 -15.896 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -2.770 -16.777 -16.300 1.00 23.42 N ATOM 0 H GLN A 116 -5.469 -12.992 -14.513 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.461 -13.803 -17.066 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -4.911 -15.043 -14.799 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -5.587 -16.089 -16.032 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -4.283 -15.100 -17.756 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -3.896 -13.696 -16.782 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -3.593 -17.287 -16.622 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -1.940 -17.287 -15.997 1.00 23.42 H new ATOM 1847 N ARG A 117 -7.924 -15.006 -14.354 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.135 -15.656 -13.870 1.00 0.51 C ATOM 1849 C ARG A 117 -10.381 -14.933 -14.373 1.00 2.44 C ATOM 1850 O ARG A 117 -11.437 -15.540 -14.547 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.140 -15.698 -12.341 1.00 31.12 C ATOM 1852 CG ARG A 117 -7.900 -16.345 -11.745 1.00 40.43 C ATOM 1853 CD ARG A 117 -7.810 -17.818 -12.111 1.00 72.54 C ATOM 1854 NE ARG A 117 -6.471 -18.357 -11.887 1.00 64.15 N ATOM 1855 CZ ARG A 117 -5.436 -18.107 -12.681 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -5.585 -17.331 -13.746 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -4.249 -18.634 -12.411 1.00 63.20 N ATOM 0 H ARG A 117 -7.268 -14.737 -13.621 1.00 54.30 H new ATOM 0 HA ARG A 117 -9.148 -16.675 -14.256 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.228 -14.681 -11.958 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.022 -16.243 -12.004 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.010 -15.825 -12.101 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -7.918 -16.239 -10.660 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -8.532 -18.383 -11.521 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -8.083 -17.949 -13.158 1.00 72.54 H new ATOM 0 HE ARG A 117 -6.323 -18.958 -11.077 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -6.496 -16.924 -13.957 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -4.788 -17.141 -14.354 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -4.131 -19.232 -11.593 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -3.455 -18.441 -13.021 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.248 -13.631 -14.607 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.362 -12.823 -15.091 1.00 4.21 C ATOM 1873 C VAL A 118 -11.801 -13.269 -16.481 1.00 14.31 C ATOM 1874 O VAL A 118 -12.975 -13.558 -16.710 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.994 -11.328 -15.136 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -12.200 -10.494 -15.540 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -10.447 -10.874 -13.791 1.00 2.43 C ATOM 0 H VAL A 118 -9.380 -13.113 -14.469 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.184 -12.966 -14.390 1.00 4.21 H new ATOM 0 HB VAL A 118 -10.216 -11.185 -15.886 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.921 -9.441 -15.567 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.542 -10.804 -16.527 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -13.002 -10.639 -14.816 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -10.192 -9.815 -13.840 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -11.202 -11.030 -13.020 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.555 -11.451 -13.547 1.00 2.43 H new