USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 589 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 55 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 78 ASN : amide:sc= -0.518 K(o=-0.52,f=-2.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -137:sc= -0.0135 (180deg=-0.385) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 49:sc= -0.208 USER MOD Single : A 16 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.026) USER MOD Single : A 17 HIS : no HD1:sc= -0.512 X(o=-0.51,f=-0.8) USER MOD Single : A 24 GLN : amide:sc= -0.0659 K(o=-0.066,f=-1.4) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -6.37! C(o=-6.4!,f=-15!) USER MOD Single : A 32 LYS NZ :NH3+ 161:sc= 0.933 (180deg=0.675) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc=0.000446 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.473 USER MOD Single : A 74 TYR OH : rot -15:sc= 0.923 USER MOD Single : A 77 SER OG : rot 111:sc= 1.25 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.496 0.844 0.480 1.00 70.03 N ATOM 2 CA MET A 1 2.723 0.262 -0.838 1.00 23.21 C ATOM 3 C MET A 1 2.013 1.070 -1.919 1.00 73.42 C ATOM 4 O MET A 1 2.654 1.715 -2.749 1.00 71.03 O ATOM 5 CB MET A 1 2.239 -1.189 -0.868 1.00 64.32 C ATOM 6 CG MET A 1 2.819 -2.046 0.246 1.00 74.44 C ATOM 7 SD MET A 1 1.600 -2.459 1.509 1.00 24.42 S ATOM 8 CE MET A 1 2.475 -3.729 2.421 1.00 43.12 C ATOM 0 H1 MET A 1 3.387 0.847 1.016 1.00 70.03 H new ATOM 0 H2 MET A 1 2.153 1.820 0.374 1.00 70.03 H new ATOM 0 H3 MET A 1 1.786 0.281 0.991 1.00 70.03 H new ATOM 0 HA MET A 1 3.794 0.284 -1.038 1.00 23.21 H new ATOM 0 HB2 MET A 1 1.151 -1.202 -0.797 1.00 64.32 H new ATOM 0 HB3 MET A 1 2.501 -1.631 -1.829 1.00 64.32 H new ATOM 0 HG2 MET A 1 3.221 -2.965 -0.180 1.00 74.44 H new ATOM 0 HG3 MET A 1 3.652 -1.518 0.709 1.00 74.44 H new ATOM 0 HE1 MET A 1 1.849 -4.087 3.239 1.00 43.12 H new ATOM 0 HE2 MET A 1 2.710 -4.559 1.755 1.00 43.12 H new ATOM 0 HE3 MET A 1 3.399 -3.315 2.826 1.00 43.12 H new ATOM 18 N THR A 2 0.684 1.030 -1.904 1.00 71.14 N ATOM 19 CA THR A 2 -0.113 1.757 -2.884 1.00 74.22 C ATOM 20 C THR A 2 -0.394 3.181 -2.418 1.00 24.33 C ATOM 21 O THR A 2 -0.063 3.551 -1.291 1.00 42.33 O ATOM 22 CB THR A 2 -1.452 1.046 -3.158 1.00 60.42 C ATOM 23 OG1 THR A 2 -2.123 1.672 -4.257 1.00 73.43 O ATOM 24 CG2 THR A 2 -2.344 1.079 -1.927 1.00 15.13 C ATOM 0 H THR A 2 0.137 0.502 -1.224 1.00 71.14 H new ATOM 0 HA THR A 2 0.470 1.787 -3.805 1.00 74.22 H new ATOM 0 HB THR A 2 -1.242 0.006 -3.406 1.00 60.42 H new ATOM 0 HG1 THR A 2 -2.972 1.213 -4.426 1.00 73.43 H new ATOM 0 HG21 THR A 2 -3.284 0.571 -2.145 1.00 15.13 H new ATOM 0 HG22 THR A 2 -1.842 0.576 -1.101 1.00 15.13 H new ATOM 0 HG23 THR A 2 -2.546 2.114 -1.652 1.00 15.13 H new ATOM 32 N ARG A 3 -1.006 3.975 -3.290 1.00 63.32 N ATOM 33 CA ARG A 3 -1.330 5.359 -2.967 1.00 20.20 C ATOM 34 C ARG A 3 -2.242 5.433 -1.746 1.00 24.44 C ATOM 35 O ARG A 3 -2.118 6.338 -0.922 1.00 13.14 O ATOM 36 CB ARG A 3 -2.003 6.039 -4.161 1.00 5.55 C ATOM 37 CG ARG A 3 -3.233 5.304 -4.667 1.00 45.34 C ATOM 38 CD ARG A 3 -3.770 5.932 -5.944 1.00 20.10 C ATOM 39 NE ARG A 3 -5.215 5.760 -6.072 1.00 44.22 N ATOM 40 CZ ARG A 3 -5.872 5.899 -7.218 1.00 33.21 C ATOM 41 NH1 ARG A 3 -5.218 6.209 -8.328 1.00 41.05 N ATOM 42 NH2 ARG A 3 -7.188 5.726 -7.254 1.00 45.44 N ATOM 0 H ARG A 3 -1.288 3.683 -4.226 1.00 63.32 H new ATOM 0 HA ARG A 3 -0.400 5.880 -2.737 1.00 20.20 H new ATOM 0 HB2 ARG A 3 -2.287 7.053 -3.878 1.00 5.55 H new ATOM 0 HB3 ARG A 3 -1.282 6.125 -4.974 1.00 5.55 H new ATOM 0 HG2 ARG A 3 -2.984 4.259 -4.851 1.00 45.34 H new ATOM 0 HG3 ARG A 3 -4.007 5.317 -3.900 1.00 45.34 H new ATOM 0 HD2 ARG A 3 -3.529 6.995 -5.955 1.00 20.10 H new ATOM 0 HD3 ARG A 3 -3.274 5.484 -6.805 1.00 20.10 H new ATOM 0 HE ARG A 3 -5.748 5.520 -5.236 1.00 44.22 H new ATOM 0 HH11 ARG A 3 -4.207 6.342 -8.304 1.00 41.05 H new ATOM 0 HH12 ARG A 3 -5.726 6.315 -9.206 1.00 41.05 H new ATOM 0 HH21 ARG A 3 -7.694 5.486 -6.402 1.00 45.44 H new ATOM 0 HH22 ARG A 3 -7.693 5.833 -8.134 1.00 45.44 H new ATOM 56 N GLU A 4 -3.156 4.474 -1.637 1.00 72.12 N ATOM 57 CA GLU A 4 -4.089 4.432 -0.517 1.00 50.02 C ATOM 58 C GLU A 4 -3.347 4.232 0.801 1.00 34.43 C ATOM 59 O GLU A 4 -3.384 5.090 1.682 1.00 33.01 O ATOM 60 CB GLU A 4 -5.110 3.310 -0.717 1.00 22.24 C ATOM 61 CG GLU A 4 -5.780 3.332 -2.080 1.00 70.21 C ATOM 62 CD GLU A 4 -6.579 4.599 -2.317 1.00 64.23 C ATOM 63 OE1 GLU A 4 -6.945 5.264 -1.326 1.00 73.12 O ATOM 64 OE2 GLU A 4 -6.836 4.925 -3.495 1.00 14.00 O ATOM 0 H GLU A 4 -3.270 3.716 -2.310 1.00 72.12 H new ATOM 0 HA GLU A 4 -4.613 5.387 -0.477 1.00 50.02 H new ATOM 0 HB2 GLU A 4 -4.613 2.350 -0.582 1.00 22.24 H new ATOM 0 HB3 GLU A 4 -5.875 3.385 0.056 1.00 22.24 H new ATOM 0 HG2 GLU A 4 -5.020 3.236 -2.856 1.00 70.21 H new ATOM 0 HG3 GLU A 4 -6.439 2.469 -2.171 1.00 70.21 H new ATOM 71 N GLU A 5 -2.676 3.091 0.928 1.00 5.52 N ATOM 72 CA GLU A 5 -1.927 2.778 2.139 1.00 23.34 C ATOM 73 C GLU A 5 -1.002 3.930 2.521 1.00 0.02 C ATOM 74 O GLU A 5 -0.936 4.329 3.684 1.00 53.10 O ATOM 75 CB GLU A 5 -1.111 1.498 1.944 1.00 20.02 C ATOM 76 CG GLU A 5 -1.629 0.317 2.748 1.00 0.43 C ATOM 77 CD GLU A 5 -2.964 -0.192 2.242 1.00 73.41 C ATOM 78 OE1 GLU A 5 -3.276 0.036 1.055 1.00 43.15 O ATOM 79 OE2 GLU A 5 -3.698 -0.821 3.034 1.00 42.50 O ATOM 0 H GLU A 5 -2.636 2.369 0.208 1.00 5.52 H new ATOM 0 HA GLU A 5 -2.642 2.626 2.948 1.00 23.34 H new ATOM 0 HB2 GLU A 5 -1.111 1.235 0.886 1.00 20.02 H new ATOM 0 HB3 GLU A 5 -0.075 1.691 2.224 1.00 20.02 H new ATOM 0 HG2 GLU A 5 -0.899 -0.491 2.711 1.00 0.43 H new ATOM 0 HG3 GLU A 5 -1.728 0.609 3.793 1.00 0.43 H new ATOM 86 N VAL A 6 -0.288 4.460 1.533 1.00 10.43 N ATOM 87 CA VAL A 6 0.633 5.567 1.764 1.00 31.02 C ATOM 88 C VAL A 6 -0.108 6.805 2.257 1.00 71.13 C ATOM 89 O VAL A 6 0.239 7.380 3.289 1.00 43.31 O ATOM 90 CB VAL A 6 1.413 5.924 0.485 1.00 0.11 C ATOM 91 CG1 VAL A 6 2.302 7.135 0.722 1.00 4.14 C ATOM 92 CG2 VAL A 6 2.234 4.734 0.012 1.00 20.25 C ATOM 0 H VAL A 6 -0.330 4.141 0.565 1.00 10.43 H new ATOM 0 HA VAL A 6 1.336 5.239 2.530 1.00 31.02 H new ATOM 0 HB VAL A 6 0.697 6.176 -0.297 1.00 0.11 H new ATOM 0 HG11 VAL A 6 2.845 7.372 -0.193 1.00 4.14 H new ATOM 0 HG12 VAL A 6 1.687 7.987 1.010 1.00 4.14 H new ATOM 0 HG13 VAL A 6 3.012 6.915 1.519 1.00 4.14 H new ATOM 0 HG21 VAL A 6 2.779 5.004 -0.893 1.00 20.25 H new ATOM 0 HG22 VAL A 6 2.942 4.448 0.790 1.00 20.25 H new ATOM 0 HG23 VAL A 6 1.571 3.896 -0.201 1.00 20.25 H new ATOM 102 N LEU A 7 -1.131 7.210 1.513 1.00 51.35 N ATOM 103 CA LEU A 7 -1.923 8.381 1.873 1.00 33.14 C ATOM 104 C LEU A 7 -2.436 8.271 3.306 1.00 72.13 C ATOM 105 O LEU A 7 -2.347 9.222 4.081 1.00 0.41 O ATOM 106 CB LEU A 7 -3.100 8.542 0.909 1.00 21.03 C ATOM 107 CG LEU A 7 -4.196 9.515 1.345 1.00 40.25 C ATOM 108 CD1 LEU A 7 -4.674 10.344 0.163 1.00 43.44 C ATOM 109 CD2 LEU A 7 -5.358 8.762 1.975 1.00 55.13 C ATOM 0 H LEU A 7 -1.432 6.745 0.657 1.00 51.35 H new ATOM 0 HA LEU A 7 -1.281 9.259 1.802 1.00 33.14 H new ATOM 0 HB2 LEU A 7 -2.712 8.871 -0.055 1.00 21.03 H new ATOM 0 HB3 LEU A 7 -3.552 7.563 0.753 1.00 21.03 H new ATOM 0 HG LEU A 7 -3.779 10.191 2.092 1.00 40.25 H new ATOM 0 HD11 LEU A 7 -5.454 11.031 0.492 1.00 43.44 H new ATOM 0 HD12 LEU A 7 -3.838 10.913 -0.244 1.00 43.44 H new ATOM 0 HD13 LEU A 7 -5.073 9.684 -0.607 1.00 43.44 H new ATOM 0 HD21 LEU A 7 -6.128 9.470 2.279 1.00 55.13 H new ATOM 0 HD22 LEU A 7 -5.774 8.062 1.250 1.00 55.13 H new ATOM 0 HD23 LEU A 7 -5.005 8.213 2.848 1.00 55.13 H new ATOM 121 N GLN A 8 -2.971 7.104 3.649 1.00 22.33 N ATOM 122 CA GLN A 8 -3.496 6.870 4.989 1.00 32.52 C ATOM 123 C GLN A 8 -2.398 7.016 6.038 1.00 55.43 C ATOM 124 O GLN A 8 -2.480 7.869 6.922 1.00 3.12 O ATOM 125 CB GLN A 8 -4.120 5.476 5.079 1.00 74.12 C ATOM 126 CG GLN A 8 -5.580 5.434 4.655 1.00 2.54 C ATOM 127 CD GLN A 8 -6.514 5.128 5.809 1.00 22.24 C ATOM 128 OE1 GLN A 8 -7.128 4.062 5.860 1.00 64.40 O ATOM 129 NE2 GLN A 8 -6.626 6.063 6.745 1.00 53.50 N ATOM 0 H GLN A 8 -3.052 6.306 3.018 1.00 22.33 H new ATOM 0 HA GLN A 8 -4.264 7.618 5.186 1.00 32.52 H new ATOM 0 HB2 GLN A 8 -3.549 4.790 4.453 1.00 74.12 H new ATOM 0 HB3 GLN A 8 -4.038 5.116 6.104 1.00 74.12 H new ATOM 0 HG2 GLN A 8 -5.854 6.393 4.215 1.00 2.54 H new ATOM 0 HG3 GLN A 8 -5.708 4.679 3.879 1.00 2.54 H new ATOM 0 HE21 GLN A 8 -6.099 6.932 6.663 1.00 53.50 H new ATOM 0 HE22 GLN A 8 -7.239 5.912 7.546 1.00 53.50 H new ATOM 138 N LYS A 9 -1.372 6.179 5.934 1.00 41.35 N ATOM 139 CA LYS A 9 -0.256 6.215 6.872 1.00 53.43 C ATOM 140 C LYS A 9 0.233 7.645 7.080 1.00 64.01 C ATOM 141 O LYS A 9 0.214 8.162 8.197 1.00 30.11 O ATOM 142 CB LYS A 9 0.892 5.341 6.364 1.00 22.52 C ATOM 143 CG LYS A 9 1.062 4.048 7.143 1.00 31.40 C ATOM 144 CD LYS A 9 -0.211 3.218 7.132 1.00 53.54 C ATOM 145 CE LYS A 9 -0.835 3.135 8.516 1.00 2.45 C ATOM 146 NZ LYS A 9 -2.025 2.241 8.536 1.00 32.10 N ATOM 0 H LYS A 9 -1.290 5.466 5.209 1.00 41.35 H new ATOM 0 HA LYS A 9 -0.605 5.826 7.829 1.00 53.43 H new ATOM 0 HB2 LYS A 9 0.720 5.103 5.314 1.00 22.52 H new ATOM 0 HB3 LYS A 9 1.820 5.910 6.414 1.00 22.52 H new ATOM 0 HG2 LYS A 9 1.879 3.468 6.713 1.00 31.40 H new ATOM 0 HG3 LYS A 9 1.340 4.276 8.172 1.00 31.40 H new ATOM 0 HD2 LYS A 9 -0.926 3.656 6.435 1.00 53.54 H new ATOM 0 HD3 LYS A 9 0.011 2.214 6.771 1.00 53.54 H new ATOM 0 HE2 LYS A 9 -0.094 2.769 9.227 1.00 2.45 H new ATOM 0 HE3 LYS A 9 -1.125 4.133 8.844 1.00 2.45 H new ATOM 0 HZ1 LYS A 9 -2.421 2.212 9.497 1.00 32.10 H new ATOM 0 HZ2 LYS A 9 -2.743 2.604 7.877 1.00 32.10 H new ATOM 0 HZ3 LYS A 9 -1.744 1.282 8.248 1.00 32.10 H new ATOM 160 N VAL A 10 0.671 8.280 5.997 1.00 72.40 N ATOM 161 CA VAL A 10 1.163 9.651 6.061 1.00 70.42 C ATOM 162 C VAL A 10 0.173 10.557 6.785 1.00 63.45 C ATOM 163 O VAL A 10 0.556 11.351 7.643 1.00 23.30 O ATOM 164 CB VAL A 10 1.427 10.218 4.654 1.00 44.14 C ATOM 165 CG1 VAL A 10 1.798 11.691 4.733 1.00 40.23 C ATOM 166 CG2 VAL A 10 2.519 9.422 3.955 1.00 63.10 C ATOM 0 H VAL A 10 0.695 7.867 5.065 1.00 72.40 H new ATOM 0 HA VAL A 10 2.101 9.626 6.616 1.00 70.42 H new ATOM 0 HB VAL A 10 0.512 10.129 4.068 1.00 44.14 H new ATOM 0 HG11 VAL A 10 1.981 12.074 3.729 1.00 40.23 H new ATOM 0 HG12 VAL A 10 0.981 12.248 5.191 1.00 40.23 H new ATOM 0 HG13 VAL A 10 2.699 11.808 5.336 1.00 40.23 H new ATOM 0 HG21 VAL A 10 2.692 9.837 2.962 1.00 63.10 H new ATOM 0 HG22 VAL A 10 3.439 9.477 4.537 1.00 63.10 H new ATOM 0 HG23 VAL A 10 2.209 8.381 3.864 1.00 63.10 H new ATOM 176 N ALA A 11 -1.102 10.431 6.432 1.00 10.41 N ATOM 177 CA ALA A 11 -2.148 11.237 7.050 1.00 41.22 C ATOM 178 C ALA A 11 -2.247 10.955 8.545 1.00 34.20 C ATOM 179 O ALA A 11 -2.510 11.856 9.342 1.00 75.13 O ATOM 180 CB ALA A 11 -3.485 10.977 6.371 1.00 23.24 C ATOM 0 H ALA A 11 -1.435 9.779 5.722 1.00 10.41 H new ATOM 0 HA ALA A 11 -1.887 12.287 6.922 1.00 41.22 H new ATOM 0 HB1 ALA A 11 -4.257 11.585 6.842 1.00 23.24 H new ATOM 0 HB2 ALA A 11 -3.413 11.236 5.315 1.00 23.24 H new ATOM 0 HB3 ALA A 11 -3.744 9.923 6.469 1.00 23.24 H new ATOM 186 N LYS A 12 -2.036 9.698 8.920 1.00 32.23 N ATOM 187 CA LYS A 12 -2.101 9.296 10.320 1.00 34.43 C ATOM 188 C LYS A 12 -0.869 9.773 11.081 1.00 24.34 C ATOM 189 O LYS A 12 -0.976 10.551 12.030 1.00 70.22 O ATOM 190 CB LYS A 12 -2.224 7.774 10.430 1.00 53.10 C ATOM 191 CG LYS A 12 -2.721 7.300 11.785 1.00 52.12 C ATOM 192 CD LYS A 12 -1.772 6.288 12.404 1.00 71.32 C ATOM 193 CE LYS A 12 -1.685 6.456 13.913 1.00 31.50 C ATOM 194 NZ LYS A 12 -2.348 5.334 14.635 1.00 41.31 N ATOM 0 H LYS A 12 -1.818 8.940 8.273 1.00 32.23 H new ATOM 0 HA LYS A 12 -2.982 9.759 10.764 1.00 34.43 H new ATOM 0 HB2 LYS A 12 -2.904 7.416 9.657 1.00 53.10 H new ATOM 0 HB3 LYS A 12 -1.251 7.324 10.231 1.00 53.10 H new ATOM 0 HG2 LYS A 12 -2.829 8.154 12.453 1.00 52.12 H new ATOM 0 HG3 LYS A 12 -3.709 6.854 11.675 1.00 52.12 H new ATOM 0 HD2 LYS A 12 -2.110 5.279 12.168 1.00 71.32 H new ATOM 0 HD3 LYS A 12 -0.780 6.402 11.966 1.00 71.32 H new ATOM 0 HE2 LYS A 12 -0.638 6.513 14.212 1.00 31.50 H new ATOM 0 HE3 LYS A 12 -2.150 7.399 14.201 1.00 31.50 H new ATOM 0 HZ1 LYS A 12 -2.267 5.485 15.661 1.00 41.31 H new ATOM 0 HZ2 LYS A 12 -3.353 5.295 14.369 1.00 41.31 H new ATOM 0 HZ3 LYS A 12 -1.888 4.437 14.380 1.00 41.31 H new ATOM 208 N ILE A 13 0.300 9.303 10.659 1.00 23.12 N ATOM 209 CA ILE A 13 1.553 9.684 11.300 1.00 52.20 C ATOM 210 C ILE A 13 1.658 11.199 11.443 1.00 64.34 C ATOM 211 O ILE A 13 2.165 11.704 12.445 1.00 70.01 O ATOM 212 CB ILE A 13 2.770 9.168 10.509 1.00 14.23 C ATOM 213 CG1 ILE A 13 2.682 7.651 10.328 1.00 12.53 C ATOM 214 CG2 ILE A 13 4.061 9.549 11.217 1.00 23.22 C ATOM 215 CD1 ILE A 13 2.876 7.201 8.897 1.00 3.43 C ATOM 0 H ILE A 13 0.406 8.658 9.876 1.00 23.12 H new ATOM 0 HA ILE A 13 1.554 9.227 12.290 1.00 52.20 H new ATOM 0 HB ILE A 13 2.768 9.633 9.523 1.00 14.23 H new ATOM 0 HG12 ILE A 13 3.435 7.174 10.956 1.00 12.53 H new ATOM 0 HG13 ILE A 13 1.709 7.307 10.680 1.00 12.53 H new ATOM 0 HG21 ILE A 13 4.912 9.178 10.646 1.00 23.22 H new ATOM 0 HG22 ILE A 13 4.125 10.634 11.299 1.00 23.22 H new ATOM 0 HG23 ILE A 13 4.073 9.109 12.214 1.00 23.22 H new ATOM 0 HD11 ILE A 13 2.801 6.115 8.844 1.00 3.43 H new ATOM 0 HD12 ILE A 13 2.107 7.649 8.267 1.00 3.43 H new ATOM 0 HD13 ILE A 13 3.860 7.514 8.547 1.00 3.43 H new ATOM 227 N ILE A 14 1.176 11.917 10.435 1.00 55.52 N ATOM 228 CA ILE A 14 1.213 13.375 10.450 1.00 70.55 C ATOM 229 C ILE A 14 0.160 13.942 11.395 1.00 53.00 C ATOM 230 O ILE A 14 0.450 14.817 12.211 1.00 52.14 O ATOM 231 CB ILE A 14 0.990 13.958 9.042 1.00 63.44 C ATOM 232 CG1 ILE A 14 2.204 13.679 8.153 1.00 61.14 C ATOM 233 CG2 ILE A 14 0.719 15.452 9.124 1.00 5.41 C ATOM 234 CD1 ILE A 14 2.033 14.160 6.729 1.00 44.23 C ATOM 0 H ILE A 14 0.755 11.514 9.598 1.00 55.52 H new ATOM 0 HA ILE A 14 2.204 13.662 10.801 1.00 70.55 H new ATOM 0 HB ILE A 14 0.119 13.475 8.598 1.00 63.44 H new ATOM 0 HG12 ILE A 14 3.081 14.160 8.588 1.00 61.14 H new ATOM 0 HG13 ILE A 14 2.400 12.607 8.145 1.00 61.14 H new ATOM 0 HG21 ILE A 14 0.564 15.849 8.121 1.00 5.41 H new ATOM 0 HG22 ILE A 14 -0.173 15.628 9.726 1.00 5.41 H new ATOM 0 HG23 ILE A 14 1.572 15.952 9.584 1.00 5.41 H new ATOM 0 HD11 ILE A 14 2.931 13.929 6.157 1.00 44.23 H new ATOM 0 HD12 ILE A 14 1.176 13.661 6.277 1.00 44.23 H new ATOM 0 HD13 ILE A 14 1.868 15.237 6.726 1.00 44.23 H new ATOM 246 N SER A 15 -1.064 13.436 11.281 1.00 53.34 N ATOM 247 CA SER A 15 -2.162 13.894 12.124 1.00 53.11 C ATOM 248 C SER A 15 -1.918 13.522 13.583 1.00 2.53 C ATOM 249 O SER A 15 -2.569 14.047 14.486 1.00 61.41 O ATOM 250 CB SER A 15 -3.485 13.291 11.647 1.00 11.21 C ATOM 251 OG SER A 15 -4.543 13.619 12.531 1.00 21.44 O ATOM 0 H SER A 15 -1.320 12.709 10.613 1.00 53.34 H new ATOM 0 HA SER A 15 -2.217 14.980 12.048 1.00 53.11 H new ATOM 0 HB2 SER A 15 -3.716 13.658 10.647 1.00 11.21 H new ATOM 0 HB3 SER A 15 -3.390 12.208 11.575 1.00 11.21 H new ATOM 0 HG SER A 15 -4.531 14.582 12.712 1.00 21.44 H new ATOM 257 N ASN A 16 -0.974 12.614 13.806 1.00 62.32 N ATOM 258 CA ASN A 16 -0.642 12.170 15.155 1.00 14.41 C ATOM 259 C ASN A 16 0.557 12.939 15.701 1.00 62.10 C ATOM 260 O ASN A 16 0.569 13.351 16.861 1.00 34.14 O ATOM 261 CB ASN A 16 -0.347 10.669 15.163 1.00 12.20 C ATOM 262 CG ASN A 16 -1.574 9.840 15.492 1.00 2.41 C ATOM 263 OD1 ASN A 16 -1.533 8.969 16.361 1.00 52.11 O ATOM 264 ND2 ASN A 16 -2.673 10.109 14.797 1.00 60.11 N ATOM 0 H ASN A 16 -0.425 12.171 13.069 1.00 62.32 H new ATOM 0 HA ASN A 16 -1.500 12.367 15.797 1.00 14.41 H new ATOM 0 HB2 ASN A 16 0.038 10.372 14.187 1.00 12.20 H new ATOM 0 HB3 ASN A 16 0.436 10.459 15.892 1.00 12.20 H new ATOM 0 HD21 ASN A 16 -3.530 9.584 14.974 1.00 60.11 H new ATOM 0 HD22 ASN A 16 -2.661 10.840 14.086 1.00 60.11 H new ATOM 271 N HIS A 17 1.566 13.129 14.856 1.00 33.21 N ATOM 272 CA HIS A 17 2.770 13.849 15.253 1.00 3.11 C ATOM 273 C HIS A 17 2.468 15.326 15.489 1.00 75.21 C ATOM 274 O HIS A 17 2.875 15.900 16.499 1.00 44.14 O ATOM 275 CB HIS A 17 3.853 13.703 14.184 1.00 42.04 C ATOM 276 CG HIS A 17 5.187 14.237 14.605 1.00 3.51 C ATOM 277 ND1 HIS A 17 6.295 13.437 14.786 1.00 5.24 N ATOM 278 CD2 HIS A 17 5.588 15.501 14.879 1.00 24.25 C ATOM 279 CE1 HIS A 17 7.320 14.185 15.156 1.00 60.21 C ATOM 280 NE2 HIS A 17 6.918 15.441 15.219 1.00 14.23 N ATOM 0 H HIS A 17 1.573 12.794 13.893 1.00 33.21 H new ATOM 0 HA HIS A 17 3.130 13.416 16.186 1.00 3.11 H new ATOM 0 HB2 HIS A 17 3.958 12.649 13.926 1.00 42.04 H new ATOM 0 HB3 HIS A 17 3.532 14.222 13.281 1.00 42.04 H new ATOM 0 HD2 HIS A 17 4.977 16.390 14.838 1.00 24.25 H new ATOM 0 HE1 HIS A 17 8.317 13.829 15.370 1.00 60.21 H new ATOM 0 HE2 HIS A 17 7.500 16.237 15.478 1.00 14.23 H new ATOM 288 N PHE A 18 1.750 15.935 14.550 1.00 25.04 N ATOM 289 CA PHE A 18 1.395 17.345 14.655 1.00 14.22 C ATOM 290 C PHE A 18 -0.020 17.510 15.204 1.00 63.02 C ATOM 291 O PHE A 18 -0.676 16.532 15.561 1.00 74.32 O ATOM 292 CB PHE A 18 1.506 18.024 13.288 1.00 11.14 C ATOM 293 CG PHE A 18 2.840 17.825 12.627 1.00 13.22 C ATOM 294 CD1 PHE A 18 3.892 18.689 12.886 1.00 32.21 C ATOM 295 CD2 PHE A 18 3.041 16.775 11.746 1.00 23.02 C ATOM 296 CE1 PHE A 18 5.121 18.508 12.280 1.00 53.54 C ATOM 297 CE2 PHE A 18 4.268 16.589 11.137 1.00 11.41 C ATOM 298 CZ PHE A 18 5.309 17.458 11.403 1.00 35.11 C ATOM 0 H PHE A 18 1.403 15.474 13.709 1.00 25.04 H new ATOM 0 HA PHE A 18 2.092 17.819 15.346 1.00 14.22 H new ATOM 0 HB2 PHE A 18 0.724 17.637 12.634 1.00 11.14 H new ATOM 0 HB3 PHE A 18 1.323 19.092 13.406 1.00 11.14 H new ATOM 0 HD1 PHE A 18 3.750 19.513 13.569 1.00 32.21 H new ATOM 0 HD2 PHE A 18 2.230 16.094 11.533 1.00 23.02 H new ATOM 0 HE1 PHE A 18 5.934 19.187 12.492 1.00 53.54 H new ATOM 0 HE2 PHE A 18 4.413 15.765 10.454 1.00 11.41 H new ATOM 0 HZ PHE A 18 6.268 17.316 10.926 1.00 35.11 H new ATOM 308 N ASP A 19 -0.481 18.754 15.268 1.00 34.13 N ATOM 309 CA ASP A 19 -1.818 19.048 15.773 1.00 43.23 C ATOM 310 C ASP A 19 -2.799 19.254 14.623 1.00 13.33 C ATOM 311 O ASP A 19 -3.841 19.890 14.790 1.00 23.21 O ATOM 312 CB ASP A 19 -1.787 20.291 16.663 1.00 15.50 C ATOM 313 CG ASP A 19 -0.606 20.294 17.614 1.00 54.34 C ATOM 314 OD1 ASP A 19 -0.450 19.311 18.367 1.00 5.21 O ATOM 315 OD2 ASP A 19 0.161 21.280 17.605 1.00 55.15 O ATOM 0 H ASP A 19 0.050 19.575 14.977 1.00 34.13 H new ATOM 0 HA ASP A 19 -2.153 18.196 16.364 1.00 43.23 H new ATOM 0 HB2 ASP A 19 -1.747 21.182 16.036 1.00 15.50 H new ATOM 0 HB3 ASP A 19 -2.712 20.346 17.237 1.00 15.50 H new ATOM 320 N ILE A 20 -2.459 18.714 13.458 1.00 55.12 N ATOM 321 CA ILE A 20 -3.311 18.839 12.281 1.00 21.04 C ATOM 322 C ILE A 20 -4.428 17.801 12.298 1.00 25.42 C ATOM 323 O ILE A 20 -4.334 16.786 12.988 1.00 61.01 O ATOM 324 CB ILE A 20 -2.500 18.684 10.981 1.00 75.11 C ATOM 325 CG1 ILE A 20 -3.303 19.207 9.788 1.00 15.33 C ATOM 326 CG2 ILE A 20 -2.114 17.228 10.768 1.00 20.12 C ATOM 327 CD1 ILE A 20 -2.494 19.315 8.515 1.00 21.41 C ATOM 0 H ILE A 20 -1.600 18.186 13.303 1.00 55.12 H new ATOM 0 HA ILE A 20 -3.747 19.838 12.311 1.00 21.04 H new ATOM 0 HB ILE A 20 -1.587 19.273 11.067 1.00 75.11 H new ATOM 0 HG12 ILE A 20 -4.152 18.546 9.614 1.00 15.33 H new ATOM 0 HG13 ILE A 20 -3.708 20.188 10.035 1.00 15.33 H new ATOM 0 HG21 ILE A 20 -1.541 17.135 9.845 1.00 20.12 H new ATOM 0 HG22 ILE A 20 -1.508 16.886 11.607 1.00 20.12 H new ATOM 0 HG23 ILE A 20 -3.015 16.619 10.699 1.00 20.12 H new ATOM 0 HD11 ILE A 20 -3.128 19.692 7.712 1.00 21.41 H new ATOM 0 HD12 ILE A 20 -1.660 19.999 8.671 1.00 21.41 H new ATOM 0 HD13 ILE A 20 -2.111 18.332 8.243 1.00 21.41 H new ATOM 339 N GLU A 21 -5.483 18.062 11.533 1.00 65.44 N ATOM 340 CA GLU A 21 -6.617 17.148 11.459 1.00 1.32 C ATOM 341 C GLU A 21 -6.445 16.159 10.310 1.00 34.01 C ATOM 342 O GLU A 21 -6.195 16.552 9.171 1.00 23.22 O ATOM 343 CB GLU A 21 -7.920 17.931 11.283 1.00 43.13 C ATOM 344 CG GLU A 21 -9.143 17.205 11.817 1.00 10.42 C ATOM 345 CD GLU A 21 -9.673 17.821 13.098 1.00 73.14 C ATOM 346 OE1 GLU A 21 -9.700 19.066 13.191 1.00 35.33 O ATOM 347 OE2 GLU A 21 -10.061 17.057 14.006 1.00 75.30 O ATOM 0 H GLU A 21 -5.576 18.898 10.956 1.00 65.44 H new ATOM 0 HA GLU A 21 -6.661 16.588 12.393 1.00 1.32 H new ATOM 0 HB2 GLU A 21 -7.828 18.892 11.790 1.00 43.13 H new ATOM 0 HB3 GLU A 21 -8.067 18.142 10.224 1.00 43.13 H new ATOM 0 HG2 GLU A 21 -9.928 17.217 11.060 1.00 10.42 H new ATOM 0 HG3 GLU A 21 -8.891 16.160 11.998 1.00 10.42 H new ATOM 354 N ALA A 22 -6.582 14.874 10.619 1.00 71.55 N ATOM 355 CA ALA A 22 -6.444 13.828 9.613 1.00 70.34 C ATOM 356 C ALA A 22 -7.468 14.002 8.496 1.00 64.42 C ATOM 357 O ALA A 22 -7.324 13.430 7.415 1.00 51.33 O ATOM 358 CB ALA A 22 -6.588 12.456 10.254 1.00 32.24 C ATOM 0 H ALA A 22 -6.788 14.532 11.558 1.00 71.55 H new ATOM 0 HA ALA A 22 -5.449 13.909 9.175 1.00 70.34 H new ATOM 0 HB1 ALA A 22 -6.483 11.685 9.491 1.00 32.24 H new ATOM 0 HB2 ALA A 22 -5.815 12.325 11.011 1.00 32.24 H new ATOM 0 HB3 ALA A 22 -7.570 12.373 10.720 1.00 32.24 H new ATOM 364 N ASP A 23 -8.500 14.793 8.764 1.00 34.23 N ATOM 365 CA ASP A 23 -9.548 15.042 7.781 1.00 15.14 C ATOM 366 C ASP A 23 -9.275 16.329 7.010 1.00 42.41 C ATOM 367 O ASP A 23 -9.643 16.454 5.842 1.00 22.22 O ATOM 368 CB ASP A 23 -10.912 15.125 8.468 1.00 34.24 C ATOM 369 CG ASP A 23 -12.061 14.894 7.506 1.00 64.42 C ATOM 370 OD1 ASP A 23 -11.794 14.527 6.342 1.00 11.42 O ATOM 371 OD2 ASP A 23 -13.226 15.080 7.916 1.00 63.43 O ATOM 0 H ASP A 23 -8.634 15.273 9.654 1.00 34.23 H new ATOM 0 HA ASP A 23 -9.555 14.211 7.076 1.00 15.14 H new ATOM 0 HB2 ASP A 23 -10.958 14.386 9.268 1.00 34.24 H new ATOM 0 HB3 ASP A 23 -11.022 16.105 8.932 1.00 34.24 H new ATOM 376 N GLN A 24 -8.628 17.284 7.671 1.00 31.44 N ATOM 377 CA GLN A 24 -8.307 18.562 7.048 1.00 72.14 C ATOM 378 C GLN A 24 -7.068 18.442 6.167 1.00 41.01 C ATOM 379 O GLN A 24 -6.938 19.141 5.162 1.00 60.23 O ATOM 380 CB GLN A 24 -8.086 19.634 8.116 1.00 31.34 C ATOM 381 CG GLN A 24 -9.337 19.964 8.915 1.00 22.41 C ATOM 382 CD GLN A 24 -10.391 20.668 8.084 1.00 1.43 C ATOM 383 OE1 GLN A 24 -10.117 21.132 6.977 1.00 53.21 O ATOM 384 NE2 GLN A 24 -11.605 20.752 8.615 1.00 11.43 N ATOM 0 H GLN A 24 -8.316 17.196 8.638 1.00 31.44 H new ATOM 0 HA GLN A 24 -9.150 18.853 6.421 1.00 72.14 H new ATOM 0 HB2 GLN A 24 -7.306 19.299 8.800 1.00 31.34 H new ATOM 0 HB3 GLN A 24 -7.721 20.542 7.637 1.00 31.34 H new ATOM 0 HG2 GLN A 24 -9.756 19.044 9.323 1.00 22.41 H new ATOM 0 HG3 GLN A 24 -9.067 20.594 9.762 1.00 22.41 H new ATOM 0 HE21 GLN A 24 -11.788 20.353 9.536 1.00 11.43 H new ATOM 0 HE22 GLN A 24 -12.355 21.215 8.102 1.00 11.43 H new ATOM 393 N VAL A 25 -6.159 17.552 6.551 1.00 23.32 N ATOM 394 CA VAL A 25 -4.930 17.340 5.796 1.00 24.41 C ATOM 395 C VAL A 25 -5.212 17.253 4.300 1.00 24.13 C ATOM 396 O VAL A 25 -5.734 16.250 3.812 1.00 13.42 O ATOM 397 CB VAL A 25 -4.209 16.055 6.247 1.00 43.23 C ATOM 398 CG1 VAL A 25 -3.519 16.271 7.585 1.00 10.31 C ATOM 399 CG2 VAL A 25 -5.188 14.894 6.324 1.00 73.13 C ATOM 0 H VAL A 25 -6.250 16.966 7.381 1.00 23.32 H new ATOM 0 HA VAL A 25 -4.286 18.197 5.992 1.00 24.41 H new ATOM 0 HB VAL A 25 -3.446 15.809 5.508 1.00 43.23 H new ATOM 0 HG11 VAL A 25 -3.015 15.353 7.887 1.00 10.31 H new ATOM 0 HG12 VAL A 25 -2.786 17.073 7.491 1.00 10.31 H new ATOM 0 HG13 VAL A 25 -4.260 16.543 8.337 1.00 10.31 H new ATOM 0 HG21 VAL A 25 -4.662 13.995 6.644 1.00 73.13 H new ATOM 0 HG22 VAL A 25 -5.975 15.128 7.041 1.00 73.13 H new ATOM 0 HG23 VAL A 25 -5.630 14.725 5.342 1.00 73.13 H new ATOM 409 N THR A 26 -4.861 18.311 3.575 1.00 34.13 N ATOM 410 CA THR A 26 -5.077 18.356 2.135 1.00 70.53 C ATOM 411 C THR A 26 -3.792 18.713 1.397 1.00 23.21 C ATOM 412 O THR A 26 -2.827 19.180 2.002 1.00 1.24 O ATOM 413 CB THR A 26 -6.170 19.375 1.761 1.00 20.25 C ATOM 414 OG1 THR A 26 -6.372 19.380 0.344 1.00 63.32 O ATOM 415 CG2 THR A 26 -5.790 20.771 2.230 1.00 41.44 C ATOM 0 H THR A 26 -4.426 19.148 3.962 1.00 34.13 H new ATOM 0 HA THR A 26 -5.402 17.360 1.834 1.00 70.53 H new ATOM 0 HB THR A 26 -7.095 19.081 2.257 1.00 20.25 H new ATOM 0 HG1 THR A 26 -7.070 20.029 0.115 1.00 63.32 H new ATOM 0 HG21 THR A 26 -6.576 21.474 1.955 1.00 41.44 H new ATOM 0 HG22 THR A 26 -5.667 20.770 3.313 1.00 41.44 H new ATOM 0 HG23 THR A 26 -4.854 21.071 1.759 1.00 41.44 H new ATOM 423 N ASP A 27 -3.786 18.491 0.087 1.00 25.24 N ATOM 424 CA ASP A 27 -2.618 18.791 -0.734 1.00 13.45 C ATOM 425 C ASP A 27 -2.341 20.291 -0.756 1.00 12.33 C ATOM 426 O ASP A 27 -1.263 20.726 -1.158 1.00 5.34 O ATOM 427 CB ASP A 27 -2.825 18.277 -2.159 1.00 42.21 C ATOM 428 CG ASP A 27 -3.493 16.917 -2.193 1.00 34.02 C ATOM 429 OD1 ASP A 27 -3.075 16.031 -1.419 1.00 2.34 O ATOM 430 OD2 ASP A 27 -4.435 16.738 -2.994 1.00 22.21 O ATOM 0 H ASP A 27 -4.576 18.105 -0.429 1.00 25.24 H new ATOM 0 HA ASP A 27 -1.757 18.287 -0.296 1.00 13.45 H new ATOM 0 HB2 ASP A 27 -3.433 18.991 -2.715 1.00 42.21 H new ATOM 0 HB3 ASP A 27 -1.861 18.218 -2.664 1.00 42.21 H new ATOM 435 N GLN A 28 -3.323 21.076 -0.322 1.00 63.32 N ATOM 436 CA GLN A 28 -3.184 22.527 -0.294 1.00 74.04 C ATOM 437 C GLN A 28 -2.821 23.012 1.105 1.00 12.50 C ATOM 438 O GLN A 28 -2.882 24.208 1.394 1.00 11.31 O ATOM 439 CB GLN A 28 -4.481 23.193 -0.757 1.00 73.05 C ATOM 440 CG GLN A 28 -4.609 23.290 -2.269 1.00 52.11 C ATOM 441 CD GLN A 28 -6.000 22.942 -2.761 1.00 15.14 C ATOM 442 OE1 GLN A 28 -6.805 23.825 -3.060 1.00 4.21 O ATOM 443 NE2 GLN A 28 -6.292 21.649 -2.847 1.00 11.52 N ATOM 0 H GLN A 28 -4.222 20.731 0.014 1.00 63.32 H new ATOM 0 HA GLN A 28 -2.379 22.803 -0.975 1.00 74.04 H new ATOM 0 HB2 GLN A 28 -5.328 22.631 -0.364 1.00 73.05 H new ATOM 0 HB3 GLN A 28 -4.538 24.195 -0.331 1.00 73.05 H new ATOM 0 HG2 GLN A 28 -4.358 24.302 -2.587 1.00 52.11 H new ATOM 0 HG3 GLN A 28 -3.885 22.621 -2.735 1.00 52.11 H new ATOM 0 HE21 GLN A 28 -5.595 20.950 -2.589 1.00 11.52 H new ATOM 0 HE22 GLN A 28 -7.213 21.355 -3.171 1.00 11.52 H new ATOM 452 N LEU A 29 -2.444 22.078 1.970 1.00 3.04 N ATOM 453 CA LEU A 29 -2.070 22.410 3.341 1.00 15.40 C ATOM 454 C LEU A 29 -0.730 21.782 3.708 1.00 32.42 C ATOM 455 O LEU A 29 -0.677 20.784 4.426 1.00 15.00 O ATOM 456 CB LEU A 29 -3.152 21.938 4.314 1.00 71.31 C ATOM 457 CG LEU A 29 -4.160 22.996 4.762 1.00 15.14 C ATOM 458 CD1 LEU A 29 -4.729 23.735 3.561 1.00 43.11 C ATOM 459 CD2 LEU A 29 -5.277 22.358 5.575 1.00 34.15 C ATOM 0 H LEU A 29 -2.389 21.084 1.747 1.00 3.04 H new ATOM 0 HA LEU A 29 -1.973 23.493 3.413 1.00 15.40 H new ATOM 0 HB2 LEU A 29 -3.699 21.118 3.848 1.00 71.31 H new ATOM 0 HB3 LEU A 29 -2.664 21.532 5.200 1.00 71.31 H new ATOM 0 HG LEU A 29 -3.643 23.717 5.395 1.00 15.14 H new ATOM 0 HD11 LEU A 29 -5.445 24.484 3.900 1.00 43.11 H new ATOM 0 HD12 LEU A 29 -3.920 24.225 3.019 1.00 43.11 H new ATOM 0 HD13 LEU A 29 -5.231 23.026 2.902 1.00 43.11 H new ATOM 0 HD21 LEU A 29 -5.985 23.126 5.886 1.00 34.15 H new ATOM 0 HD22 LEU A 29 -5.792 21.615 4.966 1.00 34.15 H new ATOM 0 HD23 LEU A 29 -4.855 21.876 6.457 1.00 34.15 H new ATOM 471 N ASN A 30 0.351 22.374 3.212 1.00 62.11 N ATOM 472 CA ASN A 30 1.692 21.873 3.489 1.00 24.43 C ATOM 473 C ASN A 30 2.002 21.944 4.981 1.00 1.05 C ATOM 474 O ASN A 30 2.061 23.028 5.562 1.00 10.31 O ATOM 475 CB ASN A 30 2.732 22.674 2.702 1.00 33.34 C ATOM 476 CG ASN A 30 4.151 22.232 3.003 1.00 71.33 C ATOM 477 OD1 ASN A 30 4.370 21.261 3.727 1.00 24.12 O ATOM 478 ND2 ASN A 30 5.123 22.945 2.445 1.00 32.35 N ATOM 0 H ASN A 30 0.325 23.201 2.616 1.00 62.11 H new ATOM 0 HA ASN A 30 1.734 20.830 3.176 1.00 24.43 H new ATOM 0 HB2 ASN A 30 2.539 22.565 1.635 1.00 33.34 H new ATOM 0 HB3 ASN A 30 2.626 23.733 2.939 1.00 33.34 H new ATOM 0 HD21 ASN A 30 6.098 22.695 2.610 1.00 32.35 H new ATOM 0 HD22 ASN A 30 4.894 23.742 1.852 1.00 32.35 H new ATOM 485 N ILE A 31 2.200 20.782 5.595 1.00 15.33 N ATOM 486 CA ILE A 31 2.505 20.713 7.019 1.00 51.31 C ATOM 487 C ILE A 31 3.772 21.495 7.348 1.00 51.31 C ATOM 488 O ILE A 31 3.875 22.117 8.406 1.00 75.22 O ATOM 489 CB ILE A 31 2.678 19.256 7.488 1.00 50.54 C ATOM 490 CG1 ILE A 31 1.410 18.450 7.197 1.00 45.20 C ATOM 491 CG2 ILE A 31 3.011 19.213 8.971 1.00 0.55 C ATOM 492 CD1 ILE A 31 1.498 17.621 5.935 1.00 53.44 C ATOM 0 H ILE A 31 2.155 19.876 5.129 1.00 15.33 H new ATOM 0 HA ILE A 31 1.660 21.157 7.545 1.00 51.31 H new ATOM 0 HB ILE A 31 3.505 18.808 6.937 1.00 50.54 H new ATOM 0 HG12 ILE A 31 1.206 17.791 8.041 1.00 45.20 H new ATOM 0 HG13 ILE A 31 0.565 19.134 7.115 1.00 45.20 H new ATOM 0 HG21 ILE A 31 3.130 18.177 9.287 1.00 0.55 H new ATOM 0 HG22 ILE A 31 3.938 19.756 9.152 1.00 0.55 H new ATOM 0 HG23 ILE A 31 2.203 19.675 9.539 1.00 0.55 H new ATOM 0 HD11 ILE A 31 0.565 17.077 5.792 1.00 53.44 H new ATOM 0 HD12 ILE A 31 1.671 18.276 5.081 1.00 53.44 H new ATOM 0 HD13 ILE A 31 2.322 16.912 6.022 1.00 53.44 H new ATOM 504 N LYS A 32 4.735 21.462 6.434 1.00 64.15 N ATOM 505 CA LYS A 32 5.996 22.170 6.623 1.00 31.33 C ATOM 506 C LYS A 32 5.750 23.624 7.011 1.00 1.31 C ATOM 507 O LYS A 32 6.261 24.101 8.025 1.00 55.01 O ATOM 508 CB LYS A 32 6.837 22.106 5.347 1.00 43.45 C ATOM 509 CG LYS A 32 8.184 22.799 5.470 1.00 35.23 C ATOM 510 CD LYS A 32 8.922 22.824 4.142 1.00 13.14 C ATOM 511 CE LYS A 32 10.410 23.069 4.337 1.00 42.42 C ATOM 512 NZ LYS A 32 11.223 22.427 3.267 1.00 34.41 N ATOM 0 H LYS A 32 4.667 20.952 5.553 1.00 64.15 H new ATOM 0 HA LYS A 32 6.540 21.683 7.433 1.00 31.33 H new ATOM 0 HB2 LYS A 32 6.998 21.062 5.080 1.00 43.45 H new ATOM 0 HB3 LYS A 32 6.277 22.561 4.530 1.00 43.45 H new ATOM 0 HG2 LYS A 32 8.038 23.819 5.825 1.00 35.23 H new ATOM 0 HG3 LYS A 32 8.792 22.286 6.215 1.00 35.23 H new ATOM 0 HD2 LYS A 32 8.773 21.877 3.624 1.00 13.14 H new ATOM 0 HD3 LYS A 32 8.504 23.605 3.507 1.00 13.14 H new ATOM 0 HE2 LYS A 32 10.603 24.142 4.346 1.00 42.42 H new ATOM 0 HE3 LYS A 32 10.718 22.682 5.308 1.00 42.42 H new ATOM 0 HZ1 LYS A 32 12.166 22.865 3.238 1.00 34.41 H new ATOM 0 HZ2 LYS A 32 11.319 21.411 3.466 1.00 34.41 H new ATOM 0 HZ3 LYS A 32 10.753 22.557 2.349 1.00 34.41 H new ATOM 526 N ASP A 33 4.965 24.324 6.199 1.00 31.52 N ATOM 527 CA ASP A 33 4.649 25.723 6.459 1.00 3.41 C ATOM 528 C ASP A 33 3.442 25.846 7.384 1.00 23.30 C ATOM 529 O ASP A 33 3.529 26.440 8.459 1.00 50.24 O ATOM 530 CB ASP A 33 4.378 26.459 5.146 1.00 11.41 C ATOM 531 CG ASP A 33 4.370 27.966 5.318 1.00 73.33 C ATOM 532 OD1 ASP A 33 3.291 28.523 5.610 1.00 43.25 O ATOM 533 OD2 ASP A 33 5.442 28.587 5.159 1.00 14.14 O ATOM 0 H ASP A 33 4.536 23.945 5.355 1.00 31.52 H new ATOM 0 HA ASP A 33 5.508 26.178 6.951 1.00 3.41 H new ATOM 0 HB2 ASP A 33 5.138 26.184 4.415 1.00 11.41 H new ATOM 0 HB3 ASP A 33 3.417 26.137 4.744 1.00 11.41 H new ATOM 538 N ASP A 34 2.318 25.280 6.959 1.00 51.43 N ATOM 539 CA ASP A 34 1.093 25.326 7.749 1.00 71.14 C ATOM 540 C ASP A 34 1.378 25.007 9.213 1.00 63.12 C ATOM 541 O ASP A 34 1.068 25.799 10.104 1.00 71.12 O ATOM 542 CB ASP A 34 0.064 24.342 7.190 1.00 30.54 C ATOM 543 CG ASP A 34 -0.380 24.702 5.786 1.00 1.14 C ATOM 544 OD1 ASP A 34 0.495 24.990 4.943 1.00 70.14 O ATOM 545 OD2 ASP A 34 -1.602 24.696 5.531 1.00 71.40 O ATOM 0 H ASP A 34 2.230 24.784 6.072 1.00 51.43 H new ATOM 0 HA ASP A 34 0.688 26.336 7.689 1.00 71.14 H new ATOM 0 HB2 ASP A 34 0.490 23.339 7.187 1.00 30.54 H new ATOM 0 HB3 ASP A 34 -0.805 24.317 7.847 1.00 30.54 H new ATOM 550 N LEU A 35 1.970 23.842 9.455 1.00 51.43 N ATOM 551 CA LEU A 35 2.297 23.417 10.812 1.00 54.54 C ATOM 552 C LEU A 35 3.605 24.046 11.279 1.00 43.31 C ATOM 553 O LEU A 35 3.899 24.076 12.473 1.00 2.21 O ATOM 554 CB LEU A 35 2.397 21.893 10.879 1.00 24.41 C ATOM 555 CG LEU A 35 1.337 21.187 11.725 1.00 22.32 C ATOM 556 CD1 LEU A 35 1.395 21.670 13.166 1.00 25.10 C ATOM 557 CD2 LEU A 35 -0.049 21.413 11.141 1.00 53.05 C ATOM 0 H LEU A 35 2.233 23.175 8.729 1.00 51.43 H new ATOM 0 HA LEU A 35 1.499 23.752 11.474 1.00 54.54 H new ATOM 0 HB2 LEU A 35 2.343 21.500 9.864 1.00 24.41 H new ATOM 0 HB3 LEU A 35 3.380 21.630 11.271 1.00 24.41 H new ATOM 0 HG LEU A 35 1.544 20.117 11.713 1.00 22.32 H new ATOM 0 HD11 LEU A 35 0.633 21.156 13.753 1.00 25.10 H new ATOM 0 HD12 LEU A 35 2.379 21.456 13.582 1.00 25.10 H new ATOM 0 HD13 LEU A 35 1.214 22.744 13.197 1.00 25.10 H new ATOM 0 HD21 LEU A 35 -0.791 20.903 11.756 1.00 53.05 H new ATOM 0 HD22 LEU A 35 -0.266 22.481 11.122 1.00 53.05 H new ATOM 0 HD23 LEU A 35 -0.085 21.017 10.126 1.00 53.05 H new ATOM 569 N ASN A 36 4.387 24.550 10.329 1.00 75.43 N ATOM 570 CA ASN A 36 5.664 25.180 10.643 1.00 34.33 C ATOM 571 C ASN A 36 6.651 24.159 11.201 1.00 41.14 C ATOM 572 O ASN A 36 7.568 24.509 11.943 1.00 62.11 O ATOM 573 CB ASN A 36 5.462 26.314 11.650 1.00 31.35 C ATOM 574 CG ASN A 36 6.264 27.551 11.296 1.00 23.14 C ATOM 575 OD1 ASN A 36 5.878 28.325 10.420 1.00 23.13 O ATOM 576 ND2 ASN A 36 7.388 27.742 11.978 1.00 13.41 N ATOM 0 H ASN A 36 4.158 24.534 9.335 1.00 75.43 H new ATOM 0 HA ASN A 36 6.076 25.591 9.721 1.00 34.33 H new ATOM 0 HB2 ASN A 36 4.404 26.571 11.696 1.00 31.35 H new ATOM 0 HB3 ASN A 36 5.750 25.970 12.643 1.00 31.35 H new ATOM 0 HD21 ASN A 36 7.970 28.557 11.784 1.00 13.41 H new ATOM 0 HD22 ASN A 36 7.669 27.074 12.696 1.00 13.41 H new ATOM 583 N ALA A 37 6.457 22.896 10.836 1.00 33.25 N ATOM 584 CA ALA A 37 7.331 21.825 11.297 1.00 22.35 C ATOM 585 C ALA A 37 8.799 22.200 11.122 1.00 53.21 C ATOM 586 O ALA A 37 9.174 22.831 10.133 1.00 20.43 O ATOM 587 CB ALA A 37 7.022 20.534 10.554 1.00 61.14 C ATOM 0 H ALA A 37 5.702 22.590 10.222 1.00 33.25 H new ATOM 0 HA ALA A 37 7.146 21.672 12.360 1.00 22.35 H new ATOM 0 HB1 ALA A 37 7.683 19.743 10.909 1.00 61.14 H new ATOM 0 HB2 ALA A 37 5.985 20.249 10.735 1.00 61.14 H new ATOM 0 HB3 ALA A 37 7.176 20.683 9.485 1.00 61.14 H new ATOM 593 N ASP A 38 9.624 21.810 12.087 1.00 31.10 N ATOM 594 CA ASP A 38 11.051 22.105 12.039 1.00 41.53 C ATOM 595 C ASP A 38 11.692 21.489 10.799 1.00 0.12 C ATOM 596 O ASP A 38 11.059 20.717 10.080 1.00 73.05 O ATOM 597 CB ASP A 38 11.744 21.585 13.299 1.00 44.12 C ATOM 598 CG ASP A 38 11.873 22.650 14.370 1.00 24.23 C ATOM 599 OD1 ASP A 38 12.157 23.814 14.018 1.00 21.33 O ATOM 600 OD2 ASP A 38 11.692 22.319 15.561 1.00 54.01 O ATOM 0 H ASP A 38 9.329 21.289 12.912 1.00 31.10 H new ATOM 0 HA ASP A 38 11.172 23.187 11.988 1.00 41.53 H new ATOM 0 HB2 ASP A 38 11.182 20.740 13.697 1.00 44.12 H new ATOM 0 HB3 ASP A 38 12.735 21.214 13.038 1.00 44.12 H new ATOM 605 N SER A 39 12.952 21.837 10.556 1.00 73.44 N ATOM 606 CA SER A 39 13.677 21.321 9.400 1.00 0.43 C ATOM 607 C SER A 39 14.246 19.936 9.690 1.00 65.11 C ATOM 608 O SER A 39 14.062 19.002 8.909 1.00 35.55 O ATOM 609 CB SER A 39 14.806 22.278 9.012 1.00 11.30 C ATOM 610 OG SER A 39 14.561 22.870 7.748 1.00 71.32 O ATOM 0 H SER A 39 13.491 22.473 11.143 1.00 73.44 H new ATOM 0 HA SER A 39 12.977 21.240 8.569 1.00 0.43 H new ATOM 0 HB2 SER A 39 14.903 23.056 9.769 1.00 11.30 H new ATOM 0 HB3 SER A 39 15.752 21.738 8.987 1.00 11.30 H new ATOM 0 HG SER A 39 15.296 23.478 7.524 1.00 71.32 H new ATOM 616 N ILE A 40 14.940 19.812 10.817 1.00 75.13 N ATOM 617 CA ILE A 40 15.535 18.541 11.210 1.00 3.25 C ATOM 618 C ILE A 40 14.513 17.412 11.148 1.00 35.24 C ATOM 619 O ILE A 40 14.802 16.325 10.648 1.00 41.23 O ATOM 620 CB ILE A 40 16.121 18.611 12.633 1.00 34.23 C ATOM 621 CG1 ILE A 40 17.188 19.704 12.716 1.00 23.32 C ATOM 622 CG2 ILE A 40 16.702 17.263 13.033 1.00 3.13 C ATOM 623 CD1 ILE A 40 18.346 19.490 11.767 1.00 44.22 C ATOM 0 H ILE A 40 15.104 20.576 11.473 1.00 75.13 H new ATOM 0 HA ILE A 40 16.340 18.337 10.503 1.00 3.25 H new ATOM 0 HB ILE A 40 15.319 18.860 13.329 1.00 34.23 H new ATOM 0 HG12 ILE A 40 16.727 20.668 12.502 1.00 23.32 H new ATOM 0 HG13 ILE A 40 17.569 19.752 13.736 1.00 23.32 H new ATOM 0 HG21 ILE A 40 17.112 17.328 14.041 1.00 3.13 H new ATOM 0 HG22 ILE A 40 15.917 16.507 13.009 1.00 3.13 H new ATOM 0 HG23 ILE A 40 17.493 16.987 12.336 1.00 3.13 H new ATOM 0 HD11 ILE A 40 19.064 20.302 11.880 1.00 44.22 H new ATOM 0 HD12 ILE A 40 18.833 18.542 11.995 1.00 44.22 H new ATOM 0 HD13 ILE A 40 17.977 19.472 10.741 1.00 44.22 H new ATOM 635 N SER A 41 13.314 17.677 11.659 1.00 43.21 N ATOM 636 CA SER A 41 12.248 16.682 11.663 1.00 0.54 C ATOM 637 C SER A 41 12.055 16.087 10.272 1.00 33.01 C ATOM 638 O SER A 41 11.761 14.900 10.127 1.00 14.34 O ATOM 639 CB SER A 41 10.939 17.309 12.149 1.00 64.03 C ATOM 640 OG SER A 41 11.182 18.293 13.140 1.00 74.43 O ATOM 0 H SER A 41 13.057 18.572 12.075 1.00 43.21 H new ATOM 0 HA SER A 41 12.534 15.881 12.345 1.00 0.54 H new ATOM 0 HB2 SER A 41 10.413 17.759 11.307 1.00 64.03 H new ATOM 0 HB3 SER A 41 10.289 16.533 12.554 1.00 64.03 H new ATOM 0 HG SER A 41 10.330 18.680 13.433 1.00 74.43 H new ATOM 646 N VAL A 42 12.222 16.920 9.250 1.00 2.31 N ATOM 647 CA VAL A 42 12.068 16.478 7.870 1.00 75.25 C ATOM 648 C VAL A 42 12.946 15.266 7.579 1.00 34.34 C ATOM 649 O VAL A 42 12.541 14.351 6.862 1.00 43.42 O ATOM 650 CB VAL A 42 12.419 17.602 6.877 1.00 30.00 C ATOM 651 CG1 VAL A 42 12.226 17.129 5.444 1.00 14.32 C ATOM 652 CG2 VAL A 42 11.580 18.840 7.156 1.00 5.15 C ATOM 0 H VAL A 42 12.464 17.906 9.352 1.00 2.31 H new ATOM 0 HA VAL A 42 11.021 16.204 7.742 1.00 75.25 H new ATOM 0 HB VAL A 42 13.469 17.865 7.009 1.00 30.00 H new ATOM 0 HG11 VAL A 42 12.479 17.937 4.757 1.00 14.32 H new ATOM 0 HG12 VAL A 42 12.874 16.274 5.253 1.00 14.32 H new ATOM 0 HG13 VAL A 42 11.187 16.837 5.294 1.00 14.32 H new ATOM 0 HG21 VAL A 42 11.841 19.624 6.445 1.00 5.15 H new ATOM 0 HG22 VAL A 42 10.523 18.594 7.053 1.00 5.15 H new ATOM 0 HG23 VAL A 42 11.774 19.190 8.170 1.00 5.15 H new ATOM 662 N MET A 43 14.149 15.266 8.143 1.00 64.34 N ATOM 663 CA MET A 43 15.085 14.164 7.945 1.00 12.35 C ATOM 664 C MET A 43 14.518 12.863 8.505 1.00 5.32 C ATOM 665 O MET A 43 14.879 11.776 8.056 1.00 33.22 O ATOM 666 CB MET A 43 16.425 14.480 8.613 1.00 71.43 C ATOM 667 CG MET A 43 17.629 14.123 7.756 1.00 20.33 C ATOM 668 SD MET A 43 17.802 15.198 6.319 1.00 23.31 S ATOM 669 CE MET A 43 19.568 15.496 6.330 1.00 24.31 C ATOM 0 H MET A 43 14.499 16.015 8.740 1.00 64.34 H new ATOM 0 HA MET A 43 15.242 14.040 6.873 1.00 12.35 H new ATOM 0 HB2 MET A 43 16.461 15.543 8.852 1.00 71.43 H new ATOM 0 HB3 MET A 43 16.488 13.939 9.557 1.00 71.43 H new ATOM 0 HG2 MET A 43 18.533 14.185 8.362 1.00 20.33 H new ATOM 0 HG3 MET A 43 17.539 13.089 7.423 1.00 20.33 H new ATOM 0 HE1 MET A 43 19.832 16.148 5.497 1.00 24.31 H new ATOM 0 HE2 MET A 43 19.851 15.974 7.268 1.00 24.31 H new ATOM 0 HE3 MET A 43 20.098 14.548 6.232 1.00 24.31 H new ATOM 679 N GLU A 44 13.631 12.984 9.488 1.00 60.53 N ATOM 680 CA GLU A 44 13.017 11.816 10.109 1.00 72.35 C ATOM 681 C GLU A 44 11.788 11.366 9.324 1.00 34.11 C ATOM 682 O GLU A 44 11.657 10.193 8.972 1.00 14.34 O ATOM 683 CB GLU A 44 12.627 12.125 11.555 1.00 11.53 C ATOM 684 CG GLU A 44 13.804 12.516 12.433 1.00 43.54 C ATOM 685 CD GLU A 44 14.120 11.472 13.485 1.00 33.34 C ATOM 686 OE1 GLU A 44 13.347 11.359 14.460 1.00 63.51 O ATOM 687 OE2 GLU A 44 15.140 10.767 13.334 1.00 74.01 O ATOM 0 H GLU A 44 13.322 13.877 9.871 1.00 60.53 H new ATOM 0 HA GLU A 44 13.747 11.007 10.103 1.00 72.35 H new ATOM 0 HB2 GLU A 44 11.896 12.934 11.560 1.00 11.53 H new ATOM 0 HB3 GLU A 44 12.138 11.251 11.985 1.00 11.53 H new ATOM 0 HG2 GLU A 44 14.683 12.673 11.807 1.00 43.54 H new ATOM 0 HG3 GLU A 44 13.587 13.465 12.923 1.00 43.54 H new ATOM 694 N PHE A 45 10.889 12.307 9.054 1.00 74.42 N ATOM 695 CA PHE A 45 9.669 12.008 8.313 1.00 72.04 C ATOM 696 C PHE A 45 9.995 11.414 6.945 1.00 32.04 C ATOM 697 O PHE A 45 9.324 10.492 6.480 1.00 10.43 O ATOM 698 CB PHE A 45 8.827 13.274 8.143 1.00 13.24 C ATOM 699 CG PHE A 45 8.446 13.920 9.445 1.00 25.43 C ATOM 700 CD1 PHE A 45 7.794 13.194 10.429 1.00 2.00 C ATOM 701 CD2 PHE A 45 8.741 15.252 9.685 1.00 11.20 C ATOM 702 CE1 PHE A 45 7.443 13.785 11.628 1.00 22.24 C ATOM 703 CE2 PHE A 45 8.393 15.848 10.882 1.00 12.24 C ATOM 704 CZ PHE A 45 7.742 15.114 11.855 1.00 41.02 C ATOM 0 H PHE A 45 10.982 13.282 9.337 1.00 74.42 H new ATOM 0 HA PHE A 45 9.099 11.274 8.882 1.00 72.04 H new ATOM 0 HB2 PHE A 45 9.382 13.992 7.539 1.00 13.24 H new ATOM 0 HB3 PHE A 45 7.921 13.026 7.590 1.00 13.24 H new ATOM 0 HD1 PHE A 45 7.557 12.154 10.257 1.00 2.00 H new ATOM 0 HD2 PHE A 45 9.249 15.831 8.928 1.00 11.20 H new ATOM 0 HE1 PHE A 45 6.935 13.208 12.387 1.00 22.24 H new ATOM 0 HE2 PHE A 45 8.630 16.887 11.057 1.00 12.24 H new ATOM 0 HZ PHE A 45 7.468 15.578 12.791 1.00 41.02 H new ATOM 714 N VAL A 46 11.030 11.949 6.306 1.00 51.32 N ATOM 715 CA VAL A 46 11.446 11.473 4.992 1.00 3.02 C ATOM 716 C VAL A 46 12.017 10.062 5.075 1.00 75.42 C ATOM 717 O VAL A 46 12.052 9.335 4.081 1.00 53.13 O ATOM 718 CB VAL A 46 12.501 12.405 4.366 1.00 75.14 C ATOM 719 CG1 VAL A 46 13.812 12.320 5.132 1.00 73.31 C ATOM 720 CG2 VAL A 46 12.708 12.063 2.898 1.00 41.01 C ATOM 0 H VAL A 46 11.596 12.712 6.677 1.00 51.32 H new ATOM 0 HA VAL A 46 10.557 11.466 4.361 1.00 3.02 H new ATOM 0 HB VAL A 46 12.138 13.431 4.430 1.00 75.14 H new ATOM 0 HG11 VAL A 46 14.544 12.985 4.675 1.00 73.31 H new ATOM 0 HG12 VAL A 46 13.648 12.618 6.168 1.00 73.31 H new ATOM 0 HG13 VAL A 46 14.184 11.296 5.103 1.00 73.31 H new ATOM 0 HG21 VAL A 46 13.456 12.731 2.471 1.00 41.01 H new ATOM 0 HG22 VAL A 46 13.049 11.032 2.809 1.00 41.01 H new ATOM 0 HG23 VAL A 46 11.767 12.181 2.361 1.00 41.01 H new ATOM 730 N LEU A 47 12.462 9.678 6.266 1.00 10.42 N ATOM 731 CA LEU A 47 13.031 8.352 6.480 1.00 51.10 C ATOM 732 C LEU A 47 11.931 7.313 6.677 1.00 5.44 C ATOM 733 O LEU A 47 11.881 6.308 5.970 1.00 72.01 O ATOM 734 CB LEU A 47 13.961 8.364 7.694 1.00 11.24 C ATOM 735 CG LEU A 47 15.025 7.267 7.736 1.00 35.43 C ATOM 736 CD1 LEU A 47 16.419 7.874 7.750 1.00 15.31 C ATOM 737 CD2 LEU A 47 14.819 6.371 8.949 1.00 22.12 C ATOM 0 H LEU A 47 12.440 10.266 7.099 1.00 10.42 H new ATOM 0 HA LEU A 47 13.605 8.083 5.594 1.00 51.10 H new ATOM 0 HB2 LEU A 47 14.463 9.331 7.732 1.00 11.24 H new ATOM 0 HB3 LEU A 47 13.351 8.286 8.594 1.00 11.24 H new ATOM 0 HG LEU A 47 14.926 6.658 6.838 1.00 35.43 H new ATOM 0 HD11 LEU A 47 17.162 7.077 7.780 1.00 15.31 H new ATOM 0 HD12 LEU A 47 16.564 8.472 6.851 1.00 15.31 H new ATOM 0 HD13 LEU A 47 16.531 8.508 8.630 1.00 15.31 H new ATOM 0 HD21 LEU A 47 15.585 5.596 8.963 1.00 22.12 H new ATOM 0 HD22 LEU A 47 14.890 6.968 9.858 1.00 22.12 H new ATOM 0 HD23 LEU A 47 13.834 5.907 8.895 1.00 22.12 H new ATOM 749 N GLU A 48 11.052 7.566 7.642 1.00 25.53 N ATOM 750 CA GLU A 48 9.953 6.652 7.931 1.00 41.10 C ATOM 751 C GLU A 48 9.186 6.304 6.658 1.00 2.33 C ATOM 752 O GLU A 48 8.875 5.139 6.406 1.00 43.51 O ATOM 753 CB GLU A 48 9.003 7.271 8.959 1.00 63.41 C ATOM 754 CG GLU A 48 8.582 8.691 8.621 1.00 21.11 C ATOM 755 CD GLU A 48 7.716 9.314 9.698 1.00 2.55 C ATOM 756 OE1 GLU A 48 8.052 9.161 10.892 1.00 62.25 O ATOM 757 OE2 GLU A 48 6.703 9.955 9.349 1.00 1.42 O ATOM 0 H GLU A 48 11.079 8.395 8.236 1.00 25.53 H new ATOM 0 HA GLU A 48 10.375 5.735 8.343 1.00 41.10 H new ATOM 0 HB2 GLU A 48 8.113 6.647 9.041 1.00 63.41 H new ATOM 0 HB3 GLU A 48 9.486 7.267 9.936 1.00 63.41 H new ATOM 0 HG2 GLU A 48 9.471 9.305 8.475 1.00 21.11 H new ATOM 0 HG3 GLU A 48 8.037 8.690 7.677 1.00 21.11 H new ATOM 764 N LEU A 49 8.884 7.322 5.860 1.00 12.33 N ATOM 765 CA LEU A 49 8.153 7.126 4.613 1.00 33.13 C ATOM 766 C LEU A 49 8.951 6.259 3.645 1.00 40.23 C ATOM 767 O LEU A 49 8.394 5.399 2.964 1.00 70.21 O ATOM 768 CB LEU A 49 7.837 8.476 3.966 1.00 32.53 C ATOM 769 CG LEU A 49 7.087 9.480 4.842 1.00 53.35 C ATOM 770 CD1 LEU A 49 7.369 10.903 4.383 1.00 74.42 C ATOM 771 CD2 LEU A 49 5.592 9.197 4.818 1.00 71.42 C ATOM 0 H LEU A 49 9.134 8.292 6.054 1.00 12.33 H new ATOM 0 HA LEU A 49 7.219 6.614 4.845 1.00 33.13 H new ATOM 0 HB2 LEU A 49 8.774 8.932 3.647 1.00 32.53 H new ATOM 0 HB3 LEU A 49 7.247 8.297 3.067 1.00 32.53 H new ATOM 0 HG LEU A 49 7.440 9.373 5.868 1.00 53.35 H new ATOM 0 HD11 LEU A 49 6.827 11.604 5.018 1.00 74.42 H new ATOM 0 HD12 LEU A 49 8.438 11.103 4.452 1.00 74.42 H new ATOM 0 HD13 LEU A 49 7.044 11.023 3.350 1.00 74.42 H new ATOM 0 HD21 LEU A 49 5.074 9.921 5.447 1.00 71.42 H new ATOM 0 HD22 LEU A 49 5.223 9.275 3.795 1.00 71.42 H new ATOM 0 HD23 LEU A 49 5.406 8.191 5.195 1.00 71.42 H new ATOM 783 N GLU A 50 10.259 6.492 3.591 1.00 72.43 N ATOM 784 CA GLU A 50 11.133 5.730 2.706 1.00 3.52 C ATOM 785 C GLU A 50 11.260 4.285 3.179 1.00 44.02 C ATOM 786 O GLU A 50 11.428 3.370 2.373 1.00 71.33 O ATOM 787 CB GLU A 50 12.517 6.380 2.638 1.00 21.13 C ATOM 788 CG GLU A 50 13.634 5.400 2.320 1.00 2.32 C ATOM 789 CD GLU A 50 14.790 6.052 1.587 1.00 44.12 C ATOM 790 OE1 GLU A 50 14.836 7.299 1.543 1.00 44.45 O ATOM 791 OE2 GLU A 50 15.649 5.316 1.057 1.00 34.34 O ATOM 0 H GLU A 50 10.736 7.201 4.148 1.00 72.43 H new ATOM 0 HA GLU A 50 10.690 5.730 1.710 1.00 3.52 H new ATOM 0 HB2 GLU A 50 12.505 7.163 1.880 1.00 21.13 H new ATOM 0 HB3 GLU A 50 12.730 6.863 3.592 1.00 21.13 H new ATOM 0 HG2 GLU A 50 13.999 4.958 3.247 1.00 2.32 H new ATOM 0 HG3 GLU A 50 13.237 4.586 1.714 1.00 2.32 H new ATOM 798 N ASP A 51 11.180 4.088 4.490 1.00 2.51 N ATOM 799 CA ASP A 51 11.286 2.755 5.071 1.00 15.13 C ATOM 800 C ASP A 51 9.966 2.000 4.942 1.00 2.33 C ATOM 801 O ASP A 51 9.904 0.945 4.313 1.00 33.55 O ATOM 802 CB ASP A 51 11.693 2.848 6.543 1.00 72.44 C ATOM 803 CG ASP A 51 12.017 1.492 7.140 1.00 50.41 C ATOM 804 OD1 ASP A 51 12.202 0.531 6.364 1.00 21.25 O ATOM 805 OD2 ASP A 51 12.086 1.393 8.383 1.00 45.54 O ATOM 0 H ASP A 51 11.042 4.835 5.171 1.00 2.51 H new ATOM 0 HA ASP A 51 12.053 2.207 4.524 1.00 15.13 H new ATOM 0 HB2 ASP A 51 12.561 3.500 6.637 1.00 72.44 H new ATOM 0 HB3 ASP A 51 10.886 3.309 7.112 1.00 72.44 H new ATOM 810 N GLU A 52 8.915 2.549 5.543 1.00 11.21 N ATOM 811 CA GLU A 52 7.598 1.926 5.496 1.00 34.23 C ATOM 812 C GLU A 52 7.210 1.580 4.061 1.00 13.44 C ATOM 813 O GLU A 52 6.975 0.417 3.733 1.00 55.41 O ATOM 814 CB GLU A 52 6.548 2.854 6.111 1.00 74.22 C ATOM 815 CG GLU A 52 5.851 2.265 7.326 1.00 25.03 C ATOM 816 CD GLU A 52 4.689 1.366 6.954 1.00 75.10 C ATOM 817 OE1 GLU A 52 4.528 1.070 5.752 1.00 61.43 O ATOM 818 OE2 GLU A 52 3.939 0.958 7.866 1.00 12.51 O ATOM 0 H GLU A 52 8.950 3.423 6.068 1.00 11.21 H new ATOM 0 HA GLU A 52 7.640 1.003 6.075 1.00 34.23 H new ATOM 0 HB2 GLU A 52 7.026 3.791 6.396 1.00 74.22 H new ATOM 0 HB3 GLU A 52 5.801 3.094 5.355 1.00 74.22 H new ATOM 0 HG2 GLU A 52 6.572 1.696 7.913 1.00 25.03 H new ATOM 0 HG3 GLU A 52 5.490 3.074 7.961 1.00 25.03 H new ATOM 825 N PHE A 53 7.144 2.599 3.211 1.00 43.31 N ATOM 826 CA PHE A 53 6.784 2.405 1.811 1.00 15.04 C ATOM 827 C PHE A 53 7.888 1.665 1.063 1.00 61.13 C ATOM 828 O PHE A 53 7.630 0.972 0.079 1.00 0.41 O ATOM 829 CB PHE A 53 6.512 3.753 1.141 1.00 43.23 C ATOM 830 CG PHE A 53 5.606 4.647 1.937 1.00 13.43 C ATOM 831 CD1 PHE A 53 4.582 4.113 2.703 1.00 2.23 C ATOM 832 CD2 PHE A 53 5.777 6.022 1.920 1.00 52.34 C ATOM 833 CE1 PHE A 53 3.746 4.933 3.438 1.00 44.21 C ATOM 834 CE2 PHE A 53 4.944 6.847 2.652 1.00 4.24 C ATOM 835 CZ PHE A 53 3.927 6.302 3.411 1.00 2.14 C ATOM 0 H PHE A 53 7.335 3.568 3.467 1.00 43.31 H new ATOM 0 HA PHE A 53 5.878 1.800 1.775 1.00 15.04 H new ATOM 0 HB2 PHE A 53 7.460 4.265 0.975 1.00 43.23 H new ATOM 0 HB3 PHE A 53 6.068 3.579 0.161 1.00 43.23 H new ATOM 0 HD1 PHE A 53 4.435 3.043 2.726 1.00 2.23 H new ATOM 0 HD2 PHE A 53 6.570 6.454 1.328 1.00 52.34 H new ATOM 0 HE1 PHE A 53 2.953 4.504 4.032 1.00 44.21 H new ATOM 0 HE2 PHE A 53 5.088 7.917 2.630 1.00 4.24 H new ATOM 0 HZ PHE A 53 3.274 6.945 3.982 1.00 2.14 H new ATOM 845 N GLY A 54 9.121 1.818 1.536 1.00 21.44 N ATOM 846 CA GLY A 54 10.247 1.159 0.900 1.00 0.12 C ATOM 847 C GLY A 54 10.599 1.777 -0.439 1.00 31.53 C ATOM 848 O GLY A 54 10.623 1.090 -1.461 1.00 1.20 O ATOM 0 H GLY A 54 9.360 2.387 2.348 1.00 21.44 H new ATOM 0 HA2 GLY A 54 11.114 1.210 1.559 1.00 0.12 H new ATOM 0 HA3 GLY A 54 10.015 0.103 0.760 1.00 0.12 H new ATOM 852 N THR A 55 10.871 3.078 -0.435 1.00 63.24 N ATOM 853 CA THR A 55 11.221 3.789 -1.659 1.00 34.41 C ATOM 854 C THR A 55 12.322 4.811 -1.405 1.00 44.13 C ATOM 855 O THR A 55 12.439 5.350 -0.306 1.00 2.55 O ATOM 856 CB THR A 55 9.998 4.507 -2.260 1.00 33.02 C ATOM 857 OG1 THR A 55 10.342 5.086 -3.523 1.00 53.14 O ATOM 858 CG2 THR A 55 9.491 5.591 -1.320 1.00 43.04 C ATOM 0 H THR A 55 10.856 3.661 0.402 1.00 63.24 H new ATOM 0 HA THR A 55 11.579 3.042 -2.367 1.00 34.41 H new ATOM 0 HB THR A 55 9.206 3.772 -2.402 1.00 33.02 H new ATOM 0 HG1 THR A 55 9.559 5.539 -3.899 1.00 53.14 H new ATOM 0 HG21 THR A 55 8.627 6.084 -1.766 1.00 43.04 H new ATOM 0 HG22 THR A 55 9.202 5.142 -0.369 1.00 43.04 H new ATOM 0 HG23 THR A 55 10.280 6.324 -1.151 1.00 43.04 H new ATOM 866 N GLU A 56 13.128 5.073 -2.430 1.00 54.11 N ATOM 867 CA GLU A 56 14.220 6.032 -2.316 1.00 65.23 C ATOM 868 C GLU A 56 13.734 7.449 -2.607 1.00 33.44 C ATOM 869 O GLU A 56 13.177 7.719 -3.671 1.00 73.31 O ATOM 870 CB GLU A 56 15.354 5.663 -3.276 1.00 54.32 C ATOM 871 CG GLU A 56 16.661 6.379 -2.978 1.00 74.31 C ATOM 872 CD GLU A 56 17.611 6.373 -4.159 1.00 65.33 C ATOM 873 OE1 GLU A 56 17.254 6.944 -5.211 1.00 32.21 O ATOM 874 OE2 GLU A 56 18.712 5.797 -4.033 1.00 3.34 O ATOM 0 H GLU A 56 13.045 4.635 -3.347 1.00 54.11 H new ATOM 0 HA GLU A 56 14.593 5.998 -1.292 1.00 65.23 H new ATOM 0 HB2 GLU A 56 15.521 4.587 -3.231 1.00 54.32 H new ATOM 0 HB3 GLU A 56 15.046 5.896 -4.295 1.00 54.32 H new ATOM 0 HG2 GLU A 56 16.450 7.409 -2.692 1.00 74.31 H new ATOM 0 HG3 GLU A 56 17.145 5.904 -2.125 1.00 74.31 H new ATOM 881 N ILE A 57 13.948 8.348 -1.653 1.00 15.34 N ATOM 882 CA ILE A 57 13.531 9.737 -1.806 1.00 24.13 C ATOM 883 C ILE A 57 14.730 10.645 -2.062 1.00 74.31 C ATOM 884 O ILE A 57 15.633 10.747 -1.232 1.00 71.21 O ATOM 885 CB ILE A 57 12.778 10.239 -0.560 1.00 1.40 C ATOM 886 CG1 ILE A 57 11.530 9.389 -0.314 1.00 51.35 C ATOM 887 CG2 ILE A 57 12.404 11.705 -0.723 1.00 13.02 C ATOM 888 CD1 ILE A 57 11.172 9.249 1.149 1.00 44.14 C ATOM 0 H ILE A 57 14.407 8.140 -0.766 1.00 15.34 H new ATOM 0 HA ILE A 57 12.860 9.773 -2.665 1.00 24.13 H new ATOM 0 HB ILE A 57 13.434 10.145 0.305 1.00 1.40 H new ATOM 0 HG12 ILE A 57 10.688 9.833 -0.845 1.00 51.35 H new ATOM 0 HG13 ILE A 57 11.687 8.397 -0.738 1.00 51.35 H new ATOM 0 HG21 ILE A 57 11.872 12.046 0.165 1.00 13.02 H new ATOM 0 HG22 ILE A 57 13.309 12.299 -0.855 1.00 13.02 H new ATOM 0 HG23 ILE A 57 11.763 11.822 -1.597 1.00 13.02 H new ATOM 0 HD11 ILE A 57 10.277 8.634 1.247 1.00 44.14 H new ATOM 0 HD12 ILE A 57 11.997 8.777 1.682 1.00 44.14 H new ATOM 0 HD13 ILE A 57 10.983 10.235 1.573 1.00 44.14 H new ATOM 900 N SER A 58 14.729 11.304 -3.216 1.00 64.13 N ATOM 901 CA SER A 58 15.817 12.203 -3.584 1.00 25.55 C ATOM 902 C SER A 58 16.040 13.257 -2.503 1.00 73.50 C ATOM 903 O SER A 58 15.227 13.407 -1.591 1.00 13.31 O ATOM 904 CB SER A 58 15.517 12.882 -4.921 1.00 15.23 C ATOM 905 OG SER A 58 16.159 12.210 -5.990 1.00 53.13 O ATOM 0 H SER A 58 13.987 11.233 -3.912 1.00 64.13 H new ATOM 0 HA SER A 58 16.727 11.611 -3.683 1.00 25.55 H new ATOM 0 HB2 SER A 58 14.440 12.897 -5.091 1.00 15.23 H new ATOM 0 HB3 SER A 58 15.849 13.920 -4.888 1.00 15.23 H new ATOM 0 HG SER A 58 15.950 12.663 -6.834 1.00 53.13 H new ATOM 911 N ASP A 59 17.146 13.983 -2.613 1.00 43.11 N ATOM 912 CA ASP A 59 17.477 15.024 -1.647 1.00 14.30 C ATOM 913 C ASP A 59 16.714 16.310 -1.951 1.00 74.32 C ATOM 914 O ASP A 59 16.103 16.904 -1.064 1.00 10.42 O ATOM 915 CB ASP A 59 18.982 15.296 -1.653 1.00 13.31 C ATOM 916 CG ASP A 59 19.684 14.694 -0.451 1.00 54.55 C ATOM 917 OD1 ASP A 59 19.248 13.621 0.013 1.00 33.34 O ATOM 918 OD2 ASP A 59 20.668 15.298 0.025 1.00 63.44 O ATOM 0 H ASP A 59 17.829 13.870 -3.362 1.00 43.11 H new ATOM 0 HA ASP A 59 17.183 14.673 -0.658 1.00 14.30 H new ATOM 0 HB2 ASP A 59 19.418 14.890 -2.566 1.00 13.31 H new ATOM 0 HB3 ASP A 59 19.154 16.372 -1.669 1.00 13.31 H new ATOM 923 N GLU A 60 16.755 16.732 -3.211 1.00 13.40 N ATOM 924 CA GLU A 60 16.068 17.949 -3.631 1.00 24.43 C ATOM 925 C GLU A 60 14.558 17.808 -3.460 1.00 65.45 C ATOM 926 O GLU A 60 13.903 18.680 -2.891 1.00 1.40 O ATOM 927 CB GLU A 60 16.400 18.271 -5.089 1.00 64.42 C ATOM 928 CG GLU A 60 16.148 17.113 -6.041 1.00 11.23 C ATOM 929 CD GLU A 60 17.163 17.051 -7.166 1.00 33.33 C ATOM 930 OE1 GLU A 60 18.371 17.193 -6.882 1.00 52.05 O ATOM 931 OE2 GLU A 60 16.750 16.860 -8.328 1.00 55.04 O ATOM 0 H GLU A 60 17.256 16.250 -3.958 1.00 13.40 H new ATOM 0 HA GLU A 60 16.413 18.767 -2.999 1.00 24.43 H new ATOM 0 HB2 GLU A 60 15.806 19.128 -5.407 1.00 64.42 H new ATOM 0 HB3 GLU A 60 17.447 18.566 -5.158 1.00 64.42 H new ATOM 0 HG2 GLU A 60 16.172 16.177 -5.483 1.00 11.23 H new ATOM 0 HG3 GLU A 60 15.148 17.206 -6.464 1.00 11.23 H new ATOM 938 N ASP A 61 14.014 16.703 -3.959 1.00 14.32 N ATOM 939 CA ASP A 61 12.581 16.447 -3.862 1.00 63.42 C ATOM 940 C ASP A 61 12.134 16.402 -2.404 1.00 44.23 C ATOM 941 O ASP A 61 10.994 16.735 -2.084 1.00 51.50 O ATOM 942 CB ASP A 61 12.229 15.130 -4.557 1.00 5.22 C ATOM 943 CG ASP A 61 12.510 15.168 -6.046 1.00 42.41 C ATOM 944 OD1 ASP A 61 13.681 15.383 -6.423 1.00 70.44 O ATOM 945 OD2 ASP A 61 11.559 14.985 -6.834 1.00 71.15 O ATOM 0 H ASP A 61 14.543 15.971 -4.434 1.00 14.32 H new ATOM 0 HA ASP A 61 12.057 17.263 -4.359 1.00 63.42 H new ATOM 0 HB2 ASP A 61 12.799 14.319 -4.103 1.00 5.22 H new ATOM 0 HB3 ASP A 61 11.174 14.908 -4.395 1.00 5.22 H new ATOM 950 N ALA A 62 13.041 15.987 -1.525 1.00 53.22 N ATOM 951 CA ALA A 62 12.740 15.900 -0.102 1.00 21.14 C ATOM 952 C ALA A 62 12.136 17.202 0.413 1.00 42.22 C ATOM 953 O ALA A 62 11.444 17.216 1.430 1.00 53.12 O ATOM 954 CB ALA A 62 13.997 15.552 0.683 1.00 53.53 C ATOM 0 H ALA A 62 13.989 15.706 -1.774 1.00 53.22 H new ATOM 0 HA ALA A 62 12.005 15.108 0.040 1.00 21.14 H new ATOM 0 HB1 ALA A 62 13.758 15.490 1.745 1.00 53.53 H new ATOM 0 HB2 ALA A 62 14.385 14.592 0.342 1.00 53.53 H new ATOM 0 HB3 ALA A 62 14.750 16.324 0.525 1.00 53.53 H new ATOM 960 N GLU A 63 12.404 18.294 -0.296 1.00 43.33 N ATOM 961 CA GLU A 63 11.888 19.602 0.091 1.00 33.31 C ATOM 962 C GLU A 63 10.499 19.835 -0.498 1.00 64.52 C ATOM 963 O GLU A 63 9.654 20.487 0.114 1.00 35.32 O ATOM 964 CB GLU A 63 12.840 20.708 -0.368 1.00 24.43 C ATOM 965 CG GLU A 63 13.594 21.374 0.772 1.00 75.53 C ATOM 966 CD GLU A 63 13.362 22.871 0.827 1.00 2.13 C ATOM 967 OE1 GLU A 63 12.240 23.311 0.501 1.00 44.34 O ATOM 968 OE2 GLU A 63 14.304 23.603 1.198 1.00 20.21 O ATOM 0 H GLU A 63 12.975 18.299 -1.141 1.00 43.33 H new ATOM 0 HA GLU A 63 11.812 19.626 1.178 1.00 33.31 H new ATOM 0 HB2 GLU A 63 13.559 20.288 -1.072 1.00 24.43 H new ATOM 0 HB3 GLU A 63 12.271 21.465 -0.907 1.00 24.43 H new ATOM 0 HG2 GLU A 63 13.285 20.927 1.717 1.00 75.53 H new ATOM 0 HG3 GLU A 63 14.661 21.179 0.660 1.00 75.53 H new ATOM 975 N LYS A 64 10.272 19.297 -1.692 1.00 1.01 N ATOM 976 CA LYS A 64 8.988 19.444 -2.366 1.00 15.13 C ATOM 977 C LYS A 64 8.126 18.200 -2.172 1.00 51.51 C ATOM 978 O LYS A 64 7.369 17.814 -3.063 1.00 62.51 O ATOM 979 CB LYS A 64 9.198 19.704 -3.859 1.00 65.11 C ATOM 980 CG LYS A 64 9.777 18.516 -4.607 1.00 63.53 C ATOM 981 CD LYS A 64 8.860 18.064 -5.732 1.00 2.04 C ATOM 982 CE LYS A 64 9.638 17.378 -6.844 1.00 63.00 C ATOM 983 NZ LYS A 64 9.511 18.103 -8.138 1.00 42.15 N ATOM 0 H LYS A 64 10.962 18.755 -2.213 1.00 1.01 H new ATOM 0 HA LYS A 64 8.471 20.296 -1.925 1.00 15.13 H new ATOM 0 HB2 LYS A 64 8.244 19.976 -4.310 1.00 65.11 H new ATOM 0 HB3 LYS A 64 9.863 20.559 -3.980 1.00 65.11 H new ATOM 0 HG2 LYS A 64 10.752 18.782 -5.016 1.00 63.53 H new ATOM 0 HG3 LYS A 64 9.937 17.691 -3.913 1.00 63.53 H new ATOM 0 HD2 LYS A 64 8.108 17.380 -5.337 1.00 2.04 H new ATOM 0 HD3 LYS A 64 8.327 18.925 -6.137 1.00 2.04 H new ATOM 0 HE2 LYS A 64 10.690 17.314 -6.565 1.00 63.00 H new ATOM 0 HE3 LYS A 64 9.277 16.356 -6.963 1.00 63.00 H new ATOM 0 HZ1 LYS A 64 10.055 17.604 -8.870 1.00 42.15 H new ATOM 0 HZ2 LYS A 64 8.510 18.142 -8.417 1.00 42.15 H new ATOM 0 HZ3 LYS A 64 9.879 19.070 -8.032 1.00 42.15 H new ATOM 997 N ILE A 65 8.245 17.580 -1.003 1.00 51.01 N ATOM 998 CA ILE A 65 7.475 16.382 -0.693 1.00 13.12 C ATOM 999 C ILE A 65 7.170 16.295 0.799 1.00 44.31 C ATOM 1000 O ILE A 65 7.143 15.208 1.374 1.00 21.10 O ATOM 1001 CB ILE A 65 8.219 15.106 -1.129 1.00 35.13 C ATOM 1002 CG1 ILE A 65 9.545 14.980 -0.376 1.00 53.20 C ATOM 1003 CG2 ILE A 65 8.455 15.118 -2.631 1.00 62.15 C ATOM 1004 CD1 ILE A 65 9.607 13.780 0.542 1.00 61.51 C ATOM 0 H ILE A 65 8.867 17.887 -0.255 1.00 51.01 H new ATOM 0 HA ILE A 65 6.540 16.455 -1.249 1.00 13.12 H new ATOM 0 HB ILE A 65 7.601 14.242 -0.885 1.00 35.13 H new ATOM 0 HG12 ILE A 65 10.359 14.917 -1.098 1.00 53.20 H new ATOM 0 HG13 ILE A 65 9.708 15.884 0.210 1.00 53.20 H new ATOM 0 HG21 ILE A 65 8.982 14.210 -2.924 1.00 62.15 H new ATOM 0 HG22 ILE A 65 7.497 15.165 -3.149 1.00 62.15 H new ATOM 0 HG23 ILE A 65 9.055 15.988 -2.898 1.00 62.15 H new ATOM 0 HD11 ILE A 65 10.575 13.754 1.043 1.00 61.51 H new ATOM 0 HD12 ILE A 65 8.815 13.851 1.287 1.00 61.51 H new ATOM 0 HD13 ILE A 65 9.476 12.869 -0.041 1.00 61.51 H new ATOM 1016 N GLU A 66 6.941 17.449 1.419 1.00 74.24 N ATOM 1017 CA GLU A 66 6.637 17.502 2.844 1.00 51.22 C ATOM 1018 C GLU A 66 5.174 17.869 3.075 1.00 32.10 C ATOM 1019 O GLU A 66 4.793 18.296 4.166 1.00 41.25 O ATOM 1020 CB GLU A 66 7.545 18.516 3.544 1.00 72.43 C ATOM 1021 CG GLU A 66 9.019 18.338 3.220 1.00 33.42 C ATOM 1022 CD GLU A 66 9.892 19.388 3.880 1.00 73.44 C ATOM 1023 OE1 GLU A 66 9.432 20.010 4.860 1.00 20.32 O ATOM 1024 OE2 GLU A 66 11.034 19.587 3.415 1.00 15.45 O ATOM 0 H GLU A 66 6.960 18.358 0.957 1.00 74.24 H new ATOM 0 HA GLU A 66 6.816 16.513 3.265 1.00 51.22 H new ATOM 0 HB2 GLU A 66 7.238 19.523 3.260 1.00 72.43 H new ATOM 0 HB3 GLU A 66 7.406 18.432 4.622 1.00 72.43 H new ATOM 0 HG2 GLU A 66 9.341 17.348 3.543 1.00 33.42 H new ATOM 0 HG3 GLU A 66 9.158 18.382 2.140 1.00 33.42 H new ATOM 1031 N THR A 67 4.357 17.699 2.040 1.00 14.42 N ATOM 1032 CA THR A 67 2.936 18.014 2.128 1.00 22.55 C ATOM 1033 C THR A 67 2.082 16.781 1.855 1.00 24.44 C ATOM 1034 O THR A 67 2.560 15.793 1.296 1.00 3.51 O ATOM 1035 CB THR A 67 2.544 19.125 1.137 1.00 1.41 C ATOM 1036 OG1 THR A 67 2.090 18.548 -0.092 1.00 43.02 O ATOM 1037 CG2 THR A 67 3.722 20.048 0.865 1.00 4.33 C ATOM 0 H THR A 67 4.655 17.345 1.131 1.00 14.42 H new ATOM 0 HA THR A 67 2.752 18.363 3.144 1.00 22.55 H new ATOM 0 HB THR A 67 1.739 19.710 1.582 1.00 1.41 H new ATOM 0 HG1 THR A 67 1.841 19.261 -0.716 1.00 43.02 H new ATOM 0 HG21 THR A 67 3.421 20.825 0.162 1.00 4.33 H new ATOM 0 HG22 THR A 67 4.046 20.509 1.798 1.00 4.33 H new ATOM 0 HG23 THR A 67 4.544 19.473 0.440 1.00 4.33 H new ATOM 1045 N VAL A 68 0.815 16.844 2.253 1.00 65.20 N ATOM 1046 CA VAL A 68 -0.106 15.733 2.049 1.00 31.52 C ATOM 1047 C VAL A 68 -0.043 15.222 0.614 1.00 41.30 C ATOM 1048 O VAL A 68 0.111 14.025 0.376 1.00 41.22 O ATOM 1049 CB VAL A 68 -1.556 16.139 2.375 1.00 63.44 C ATOM 1050 CG1 VAL A 68 -2.480 14.934 2.288 1.00 73.13 C ATOM 1051 CG2 VAL A 68 -1.632 16.781 3.751 1.00 12.52 C ATOM 0 H VAL A 68 0.403 17.653 2.719 1.00 65.20 H new ATOM 0 HA VAL A 68 0.202 14.938 2.728 1.00 31.52 H new ATOM 0 HB VAL A 68 -1.884 16.872 1.638 1.00 63.44 H new ATOM 0 HG11 VAL A 68 -3.500 15.240 2.521 1.00 73.13 H new ATOM 0 HG12 VAL A 68 -2.447 14.522 1.279 1.00 73.13 H new ATOM 0 HG13 VAL A 68 -2.157 14.175 3.001 1.00 73.13 H new ATOM 0 HG21 VAL A 68 -2.663 17.062 3.965 1.00 12.52 H new ATOM 0 HG22 VAL A 68 -1.285 16.072 4.503 1.00 12.52 H new ATOM 0 HG23 VAL A 68 -1.002 17.670 3.773 1.00 12.52 H new ATOM 1061 N GLY A 69 -0.162 16.140 -0.341 1.00 15.14 N ATOM 1062 CA GLY A 69 -0.116 15.764 -1.741 1.00 70.15 C ATOM 1063 C GLY A 69 1.302 15.598 -2.250 1.00 61.44 C ATOM 1064 O GLY A 69 1.602 14.648 -2.973 1.00 52.05 O ATOM 0 H GLY A 69 -0.289 17.137 -0.169 1.00 15.14 H new ATOM 0 HA2 GLY A 69 -0.661 14.830 -1.881 1.00 70.15 H new ATOM 0 HA3 GLY A 69 -0.625 16.523 -2.335 1.00 70.15 H new ATOM 1068 N ALA A 70 2.177 16.524 -1.874 1.00 12.54 N ATOM 1069 CA ALA A 70 3.571 16.476 -2.296 1.00 70.13 C ATOM 1070 C ALA A 70 4.236 15.180 -1.846 1.00 64.10 C ATOM 1071 O ALA A 70 5.285 14.797 -2.365 1.00 35.45 O ATOM 1072 CB ALA A 70 4.329 17.678 -1.753 1.00 25.44 C ATOM 0 H ALA A 70 1.945 17.318 -1.277 1.00 12.54 H new ATOM 0 HA ALA A 70 3.597 16.507 -3.385 1.00 70.13 H new ATOM 0 HB1 ALA A 70 5.369 17.629 -2.076 1.00 25.44 H new ATOM 0 HB2 ALA A 70 3.875 18.595 -2.129 1.00 25.44 H new ATOM 0 HB3 ALA A 70 4.287 17.673 -0.664 1.00 25.44 H new ATOM 1078 N ALA A 71 3.621 14.510 -0.877 1.00 71.34 N ATOM 1079 CA ALA A 71 4.153 13.256 -0.358 1.00 64.04 C ATOM 1080 C ALA A 71 3.662 12.069 -1.180 1.00 63.01 C ATOM 1081 O ALA A 71 4.447 11.400 -1.853 1.00 34.32 O ATOM 1082 CB ALA A 71 3.768 13.084 1.103 1.00 22.15 C ATOM 0 H ALA A 71 2.754 14.815 -0.435 1.00 71.34 H new ATOM 0 HA ALA A 71 5.240 13.292 -0.434 1.00 64.04 H new ATOM 0 HB1 ALA A 71 4.172 12.143 1.477 1.00 22.15 H new ATOM 0 HB2 ALA A 71 4.174 13.911 1.686 1.00 22.15 H new ATOM 0 HB3 ALA A 71 2.682 13.074 1.194 1.00 22.15 H new ATOM 1088 N VAL A 72 2.359 11.812 -1.121 1.00 4.44 N ATOM 1089 CA VAL A 72 1.764 10.706 -1.860 1.00 35.13 C ATOM 1090 C VAL A 72 2.079 10.806 -3.348 1.00 11.01 C ATOM 1091 O VAL A 72 2.381 9.805 -3.998 1.00 33.13 O ATOM 1092 CB VAL A 72 0.235 10.664 -1.672 1.00 24.33 C ATOM 1093 CG1 VAL A 72 -0.386 11.999 -2.050 1.00 55.22 C ATOM 1094 CG2 VAL A 72 -0.371 9.533 -2.490 1.00 4.24 C ATOM 0 H VAL A 72 1.696 12.355 -0.569 1.00 4.44 H new ATOM 0 HA VAL A 72 2.198 9.789 -1.461 1.00 35.13 H new ATOM 0 HB VAL A 72 0.020 10.476 -0.620 1.00 24.33 H new ATOM 0 HG11 VAL A 72 -1.466 11.950 -1.911 1.00 55.22 H new ATOM 0 HG12 VAL A 72 0.026 12.784 -1.417 1.00 55.22 H new ATOM 0 HG13 VAL A 72 -0.164 12.221 -3.094 1.00 55.22 H new ATOM 0 HG21 VAL A 72 -1.451 9.518 -2.346 1.00 4.24 H new ATOM 0 HG22 VAL A 72 -0.148 9.688 -3.546 1.00 4.24 H new ATOM 0 HG23 VAL A 72 0.052 8.582 -2.165 1.00 4.24 H new ATOM 1104 N ASP A 73 2.007 12.020 -3.882 1.00 4.44 N ATOM 1105 CA ASP A 73 2.287 12.253 -5.294 1.00 30.41 C ATOM 1106 C ASP A 73 3.715 11.843 -5.640 1.00 22.23 C ATOM 1107 O ASP A 73 4.018 11.520 -6.788 1.00 62.25 O ATOM 1108 CB ASP A 73 2.067 13.725 -5.644 1.00 53.00 C ATOM 1109 CG ASP A 73 2.335 14.019 -7.107 1.00 32.40 C ATOM 1110 OD1 ASP A 73 2.040 13.146 -7.950 1.00 42.44 O ATOM 1111 OD2 ASP A 73 2.840 15.120 -7.408 1.00 41.45 O ATOM 0 H ASP A 73 1.757 12.859 -3.358 1.00 4.44 H new ATOM 0 HA ASP A 73 1.601 11.642 -5.880 1.00 30.41 H new ATOM 0 HB2 ASP A 73 1.041 14.003 -5.403 1.00 53.00 H new ATOM 0 HB3 ASP A 73 2.719 14.343 -5.027 1.00 53.00 H new ATOM 1116 N TYR A 74 4.589 11.860 -4.639 1.00 35.40 N ATOM 1117 CA TYR A 74 5.986 11.493 -4.838 1.00 12.32 C ATOM 1118 C TYR A 74 6.191 9.996 -4.631 1.00 61.31 C ATOM 1119 O TYR A 74 6.742 9.309 -5.492 1.00 74.21 O ATOM 1120 CB TYR A 74 6.882 12.279 -3.880 1.00 2.35 C ATOM 1121 CG TYR A 74 8.359 12.044 -4.102 1.00 2.31 C ATOM 1122 CD1 TYR A 74 8.994 12.517 -5.244 1.00 10.23 C ATOM 1123 CD2 TYR A 74 9.120 11.350 -3.169 1.00 41.03 C ATOM 1124 CE1 TYR A 74 10.343 12.304 -5.451 1.00 51.11 C ATOM 1125 CE2 TYR A 74 10.470 11.133 -3.368 1.00 1.52 C ATOM 1126 CZ TYR A 74 11.077 11.612 -4.510 1.00 73.04 C ATOM 1127 OH TYR A 74 12.421 11.399 -4.713 1.00 20.23 O ATOM 0 H TYR A 74 4.354 12.124 -3.682 1.00 35.40 H new ATOM 0 HA TYR A 74 6.258 11.740 -5.864 1.00 12.32 H new ATOM 0 HB2 TYR A 74 6.671 13.343 -3.989 1.00 2.35 H new ATOM 0 HB3 TYR A 74 6.630 12.008 -2.855 1.00 2.35 H new ATOM 0 HD1 TYR A 74 8.423 13.060 -5.982 1.00 10.23 H new ATOM 0 HD2 TYR A 74 8.648 10.974 -2.273 1.00 41.03 H new ATOM 0 HE1 TYR A 74 10.821 12.677 -6.345 1.00 51.11 H new ATOM 0 HE2 TYR A 74 11.047 10.591 -2.633 1.00 1.52 H new ATOM 0 HH TYR A 74 12.643 11.579 -5.650 1.00 20.23 H new ATOM 1137 N ILE A 75 5.744 9.497 -3.484 1.00 31.23 N ATOM 1138 CA ILE A 75 5.876 8.081 -3.164 1.00 23.04 C ATOM 1139 C ILE A 75 5.190 7.214 -4.213 1.00 63.54 C ATOM 1140 O ILE A 75 5.725 6.187 -4.633 1.00 4.15 O ATOM 1141 CB ILE A 75 5.282 7.759 -1.780 1.00 23.33 C ATOM 1142 CG1 ILE A 75 5.904 8.661 -0.711 1.00 74.42 C ATOM 1143 CG2 ILE A 75 5.503 6.293 -1.437 1.00 30.11 C ATOM 1144 CD1 ILE A 75 7.407 8.530 -0.610 1.00 22.34 C ATOM 0 H ILE A 75 5.287 10.052 -2.761 1.00 31.23 H new ATOM 0 HA ILE A 75 6.943 7.858 -3.153 1.00 23.04 H new ATOM 0 HB ILE A 75 4.209 7.948 -1.809 1.00 23.33 H new ATOM 0 HG12 ILE A 75 5.652 9.698 -0.931 1.00 74.42 H new ATOM 0 HG13 ILE A 75 5.461 8.423 0.256 1.00 74.42 H new ATOM 0 HG21 ILE A 75 5.078 6.081 -0.456 1.00 30.11 H new ATOM 0 HG22 ILE A 75 5.018 5.667 -2.186 1.00 30.11 H new ATOM 0 HG23 ILE A 75 6.572 6.080 -1.423 1.00 30.11 H new ATOM 0 HD11 ILE A 75 7.779 9.198 0.167 1.00 22.34 H new ATOM 0 HD12 ILE A 75 7.667 7.501 -0.359 1.00 22.34 H new ATOM 0 HD13 ILE A 75 7.860 8.796 -1.565 1.00 22.34 H new ATOM 1156 N VAL A 76 4.002 7.634 -4.636 1.00 42.02 N ATOM 1157 CA VAL A 76 3.243 6.898 -5.640 1.00 23.52 C ATOM 1158 C VAL A 76 3.907 6.992 -7.009 1.00 70.41 C ATOM 1159 O VAL A 76 4.298 5.980 -7.591 1.00 45.23 O ATOM 1160 CB VAL A 76 1.798 7.419 -5.745 1.00 51.32 C ATOM 1161 CG1 VAL A 76 1.051 6.701 -6.858 1.00 54.24 C ATOM 1162 CG2 VAL A 76 1.075 7.258 -4.416 1.00 64.32 C ATOM 0 H VAL A 76 3.544 8.481 -4.299 1.00 42.02 H new ATOM 0 HA VAL A 76 3.223 5.856 -5.320 1.00 23.52 H new ATOM 0 HB VAL A 76 1.830 8.481 -5.988 1.00 51.32 H new ATOM 0 HG11 VAL A 76 0.032 7.082 -6.917 1.00 54.24 H new ATOM 0 HG12 VAL A 76 1.559 6.874 -7.807 1.00 54.24 H new ATOM 0 HG13 VAL A 76 1.027 5.632 -6.649 1.00 54.24 H new ATOM 0 HG21 VAL A 76 0.055 7.631 -4.509 1.00 64.32 H new ATOM 0 HG22 VAL A 76 1.052 6.204 -4.140 1.00 64.32 H new ATOM 0 HG23 VAL A 76 1.600 7.823 -3.646 1.00 64.32 H new ATOM 1172 N SER A 77 4.031 8.213 -7.518 1.00 12.21 N ATOM 1173 CA SER A 77 4.645 8.440 -8.821 1.00 74.11 C ATOM 1174 C SER A 77 6.004 7.754 -8.908 1.00 24.41 C ATOM 1175 O SER A 77 6.435 7.339 -9.983 1.00 72.30 O ATOM 1176 CB SER A 77 4.800 9.939 -9.081 1.00 50.53 C ATOM 1177 OG SER A 77 3.537 10.576 -9.166 1.00 33.01 O ATOM 0 H SER A 77 3.714 9.061 -7.048 1.00 12.21 H new ATOM 0 HA SER A 77 3.992 8.012 -9.582 1.00 74.11 H new ATOM 0 HB2 SER A 77 5.386 10.391 -8.281 1.00 50.53 H new ATOM 0 HB3 SER A 77 5.352 10.095 -10.008 1.00 50.53 H new ATOM 0 HG SER A 77 3.410 11.156 -8.387 1.00 33.01 H new ATOM 1183 N ASN A 78 6.676 7.638 -7.767 1.00 12.23 N ATOM 1184 CA ASN A 78 7.987 7.003 -7.712 1.00 65.15 C ATOM 1185 C ASN A 78 7.854 5.488 -7.591 1.00 74.01 C ATOM 1186 O ASN A 78 8.681 4.738 -8.108 1.00 63.13 O ATOM 1187 CB ASN A 78 8.794 7.551 -6.534 1.00 23.14 C ATOM 1188 CG ASN A 78 10.198 6.980 -6.479 1.00 21.25 C ATOM 1189 OD1 ASN A 78 10.384 5.780 -6.278 1.00 65.53 O ATOM 1190 ND2 ASN A 78 11.194 7.840 -6.656 1.00 50.13 N ATOM 0 H ASN A 78 6.333 7.976 -6.868 1.00 12.23 H new ATOM 0 HA ASN A 78 8.512 7.231 -8.640 1.00 65.15 H new ATOM 0 HB2 ASN A 78 8.849 8.637 -6.609 1.00 23.14 H new ATOM 0 HB3 ASN A 78 8.275 7.322 -5.603 1.00 23.14 H new ATOM 0 HD21 ASN A 78 12.160 7.514 -6.628 1.00 50.13 H new ATOM 0 HD22 ASN A 78 10.993 8.826 -6.820 1.00 50.13 H new ATOM 1197 N SER A 79 6.805 5.045 -6.905 1.00 1.24 N ATOM 1198 CA SER A 79 6.564 3.620 -6.712 1.00 71.12 C ATOM 1199 C SER A 79 6.588 2.880 -8.046 1.00 61.02 C ATOM 1200 O SER A 79 6.087 1.760 -8.124 1.00 34.53 O ATOM 1201 CB SER A 79 5.219 3.398 -6.017 1.00 61.04 C ATOM 1202 OG SER A 79 5.399 2.879 -4.711 1.00 45.30 O ATOM 0 H SER A 79 6.108 5.653 -6.474 1.00 1.24 H new ATOM 0 HA SER A 79 7.360 3.224 -6.082 1.00 71.12 H new ATOM 0 HB2 SER A 79 4.673 4.340 -5.965 1.00 61.04 H new ATOM 0 HB3 SER A 79 4.612 2.710 -6.605 1.00 61.04 H new ATOM 0 HG SER A 79 4.525 2.748 -4.288 1.00 45.30 H new TER 1208 SER A 79