USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 260 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= 0.156 K(o=0.16,f=-3!) USER MOD Single : A 1 ASN N :NH3+ 155:sc= 0.323 (180deg=0.177) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -116:sc= -0.03 (180deg=-0.475) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 69:sc= 0.487 USER MOD Single : A 18 GLN : amide:sc= -1.19! C(o=-1.2!,f=-3.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -43:sc= 0.508 USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00172 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 15.669 20.171 34.366 1.00 20.00 N ATOM 2 CA ASN A 1 16.278 20.196 33.018 1.00 20.00 C ATOM 3 C ASN A 1 17.238 19.021 32.847 1.00 20.00 C ATOM 4 O ASN A 1 17.931 18.652 33.793 1.00 20.00 O ATOM 5 CB ASN A 1 17.031 21.510 32.755 1.00 20.00 C ATOM 6 CG ASN A 1 16.129 22.746 32.721 1.00 20.00 C ATOM 7 OD1 ASN A 1 15.281 22.944 33.588 1.00 20.00 O ATOM 8 ND2 ASN A 1 16.316 23.600 31.718 1.00 20.00 N ATOM 0 H1 ASN A 1 15.377 21.133 34.633 1.00 20.00 H new ATOM 0 H2 ASN A 1 14.838 19.546 34.360 1.00 20.00 H new ATOM 0 H3 ASN A 1 16.364 19.817 35.054 1.00 20.00 H new ATOM 0 HA ASN A 1 15.465 20.117 32.296 1.00 20.00 H new ATOM 0 HB2 ASN A 1 17.787 21.645 33.529 1.00 20.00 H new ATOM 0 HB3 ASN A 1 17.558 21.431 31.804 1.00 20.00 H new ATOM 0 HD21 ASN A 1 15.748 24.445 31.655 1.00 20.00 H new ATOM 0 HD22 ASN A 1 17.027 23.410 31.012 1.00 20.00 H new ATOM 17 N GLU A 2 17.293 18.453 31.635 1.00 20.00 N ATOM 18 CA GLU A 2 18.187 17.345 31.297 1.00 20.00 C ATOM 19 C GLU A 2 19.542 17.868 30.795 1.00 20.00 C ATOM 20 O GLU A 2 20.557 17.626 31.447 1.00 20.00 O ATOM 21 CB GLU A 2 17.485 16.422 30.290 1.00 20.00 C ATOM 22 CG GLU A 2 18.260 15.112 30.083 1.00 20.00 C ATOM 23 CD GLU A 2 17.478 14.118 29.219 1.00 20.00 C ATOM 24 OE1 GLU A 2 16.922 14.555 28.189 1.00 20.00 O ATOM 25 OE2 GLU A 2 17.448 12.924 29.587 1.00 20.00 O ATOM 0 H GLU A 2 16.710 18.756 30.855 1.00 20.00 H new ATOM 0 HA GLU A 2 18.408 16.756 32.187 1.00 20.00 H new ATOM 0 HB2 GLU A 2 16.478 16.197 30.643 1.00 20.00 H new ATOM 0 HB3 GLU A 2 17.381 16.938 29.335 1.00 20.00 H new ATOM 0 HG2 GLU A 2 19.219 15.328 29.611 1.00 20.00 H new ATOM 0 HG3 GLU A 2 18.476 14.661 31.051 1.00 20.00 H new ATOM 32 N CYS A 3 19.559 18.591 29.659 1.00 20.00 N ATOM 33 CA CYS A 3 20.782 19.127 29.058 1.00 20.00 C ATOM 34 C CYS A 3 21.507 20.110 29.980 1.00 20.00 C ATOM 35 O CYS A 3 22.724 20.013 30.126 1.00 20.00 O ATOM 36 CB CYS A 3 20.478 19.799 27.710 1.00 20.00 C ATOM 37 SG CYS A 3 20.167 18.619 26.375 1.00 20.00 S ATOM 0 H CYS A 3 18.715 18.818 29.133 1.00 20.00 H new ATOM 0 HA CYS A 3 21.447 18.279 28.897 1.00 20.00 H new ATOM 0 HB2 CYS A 3 19.608 20.446 27.823 1.00 20.00 H new ATOM 0 HB3 CYS A 3 21.317 20.437 27.433 1.00 20.00 H new ATOM 42 N VAL A 4 20.774 21.045 30.601 1.00 20.00 N ATOM 43 CA VAL A 4 21.357 22.097 31.435 1.00 20.00 C ATOM 44 C VAL A 4 21.961 21.519 32.727 1.00 20.00 C ATOM 45 O VAL A 4 22.990 22.015 33.184 1.00 20.00 O ATOM 46 CB VAL A 4 20.315 23.201 31.726 1.00 20.00 C ATOM 47 CG1 VAL A 4 20.973 24.404 32.420 1.00 20.00 C ATOM 48 CG2 VAL A 4 19.635 23.707 30.439 1.00 20.00 C ATOM 0 H VAL A 4 19.757 21.090 30.537 1.00 20.00 H new ATOM 0 HA VAL A 4 22.177 22.556 30.883 1.00 20.00 H new ATOM 0 HB VAL A 4 19.564 22.750 32.375 1.00 20.00 H new ATOM 0 HG11 VAL A 4 20.220 25.168 32.615 1.00 20.00 H new ATOM 0 HG12 VAL A 4 21.416 24.083 33.363 1.00 20.00 H new ATOM 0 HG13 VAL A 4 21.750 24.816 31.776 1.00 20.00 H new ATOM 0 HG21 VAL A 4 18.911 24.482 30.691 1.00 20.00 H new ATOM 0 HG22 VAL A 4 20.388 24.119 29.767 1.00 20.00 H new ATOM 0 HG23 VAL A 4 19.125 22.879 29.947 1.00 20.00 H new ATOM 58 N SER A 5 21.372 20.443 33.279 1.00 20.00 N ATOM 59 CA SER A 5 21.923 19.719 34.426 1.00 20.00 C ATOM 60 C SER A 5 23.233 18.998 34.070 1.00 20.00 C ATOM 61 O SER A 5 24.134 18.935 34.907 1.00 20.00 O ATOM 62 CB SER A 5 20.878 18.726 34.949 1.00 20.00 C ATOM 63 OG SER A 5 21.350 18.056 36.099 1.00 20.00 O ATOM 0 H SER A 5 20.494 20.053 32.935 1.00 20.00 H new ATOM 0 HA SER A 5 22.161 20.440 35.208 1.00 20.00 H new ATOM 0 HB2 SER A 5 19.954 19.255 35.185 1.00 20.00 H new ATOM 0 HB3 SER A 5 20.640 17.999 34.172 1.00 20.00 H new ATOM 0 HG SER A 5 20.667 17.429 36.416 1.00 20.00 H new ATOM 69 N LYS A 6 23.359 18.497 32.830 1.00 20.00 N ATOM 70 CA LYS A 6 24.591 17.912 32.296 1.00 20.00 C ATOM 71 C LYS A 6 25.659 18.958 31.929 1.00 20.00 C ATOM 72 O LYS A 6 26.790 18.572 31.637 1.00 20.00 O ATOM 73 CB LYS A 6 24.264 17.046 31.065 1.00 20.00 C ATOM 74 CG LYS A 6 23.709 15.657 31.411 1.00 20.00 C ATOM 75 CD LYS A 6 24.776 14.553 31.551 1.00 20.00 C ATOM 76 CE LYS A 6 25.729 14.717 32.744 1.00 20.00 C ATOM 77 NZ LYS A 6 26.906 15.546 32.418 1.00 20.00 N ATOM 0 H LYS A 6 22.589 18.489 32.161 1.00 20.00 H new ATOM 0 HA LYS A 6 25.016 17.301 33.092 1.00 20.00 H new ATOM 0 HB2 LYS A 6 23.538 17.572 30.445 1.00 20.00 H new ATOM 0 HB3 LYS A 6 25.167 16.927 30.467 1.00 20.00 H new ATOM 0 HG2 LYS A 6 23.152 15.726 32.346 1.00 20.00 H new ATOM 0 HG3 LYS A 6 22.999 15.362 30.638 1.00 20.00 H new ATOM 0 HD2 LYS A 6 24.272 13.591 31.638 1.00 20.00 H new ATOM 0 HD3 LYS A 6 25.367 14.522 30.635 1.00 20.00 H new ATOM 0 HE2 LYS A 6 25.190 15.169 33.576 1.00 20.00 H new ATOM 0 HE3 LYS A 6 26.062 13.734 33.077 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 27.768 14.969 32.491 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 26.815 15.912 31.449 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 26.965 16.342 33.084 1.00 20.00 H new ATOM 91 N GLY A 7 25.324 20.258 31.935 1.00 20.00 N ATOM 92 CA GLY A 7 26.219 21.351 31.559 1.00 20.00 C ATOM 93 C GLY A 7 26.189 21.693 30.063 1.00 20.00 C ATOM 94 O GLY A 7 26.857 22.643 29.657 1.00 20.00 O ATOM 0 H GLY A 7 24.396 20.581 32.210 1.00 20.00 H new ATOM 0 HA2 GLY A 7 25.951 22.240 32.130 1.00 20.00 H new ATOM 0 HA3 GLY A 7 27.238 21.086 31.841 1.00 20.00 H new ATOM 98 N PHE A 8 25.414 20.957 29.251 1.00 20.00 N ATOM 99 CA PHE A 8 25.093 21.308 27.869 1.00 20.00 C ATOM 100 C PHE A 8 24.132 22.506 27.818 1.00 20.00 C ATOM 101 O PHE A 8 23.652 22.987 28.846 1.00 20.00 O ATOM 102 CB PHE A 8 24.469 20.097 27.154 1.00 20.00 C ATOM 103 CG PHE A 8 25.317 18.843 27.138 1.00 20.00 C ATOM 104 CD1 PHE A 8 24.808 17.634 27.650 1.00 20.00 C ATOM 105 CD2 PHE A 8 26.599 18.874 26.562 1.00 20.00 C ATOM 106 CE1 PHE A 8 25.585 16.463 27.597 1.00 20.00 C ATOM 107 CE2 PHE A 8 27.368 17.699 26.493 1.00 20.00 C ATOM 108 CZ PHE A 8 26.863 16.494 27.014 1.00 20.00 C ATOM 0 H PHE A 8 24.985 20.081 29.550 1.00 20.00 H new ATOM 0 HA PHE A 8 26.015 21.589 27.360 1.00 20.00 H new ATOM 0 HB2 PHE A 8 23.517 19.865 27.632 1.00 20.00 H new ATOM 0 HB3 PHE A 8 24.248 20.379 26.124 1.00 20.00 H new ATOM 0 HD1 PHE A 8 23.819 17.606 28.084 1.00 20.00 H new ATOM 0 HD2 PHE A 8 26.993 19.801 26.172 1.00 20.00 H new ATOM 0 HE1 PHE A 8 25.199 15.540 28.004 1.00 20.00 H new ATOM 0 HE2 PHE A 8 28.348 17.722 26.039 1.00 20.00 H new ATOM 0 HZ PHE A 8 27.457 15.593 26.966 1.00 20.00 H new ATOM 118 N GLY A 9 23.834 22.964 26.597 1.00 20.00 N ATOM 119 CA GLY A 9 22.880 24.039 26.342 1.00 20.00 C ATOM 120 C GLY A 9 22.079 23.828 25.059 1.00 20.00 C ATOM 121 O GLY A 9 22.142 22.773 24.425 1.00 20.00 O ATOM 0 H GLY A 9 24.258 22.590 25.748 1.00 20.00 H new ATOM 0 HA2 GLY A 9 22.193 24.117 27.185 1.00 20.00 H new ATOM 0 HA3 GLY A 9 23.415 24.986 26.279 1.00 20.00 H new ATOM 125 N CYS A 10 21.300 24.858 24.707 1.00 20.00 N ATOM 126 CA CYS A 10 20.342 24.856 23.611 1.00 20.00 C ATOM 127 C CYS A 10 20.757 25.906 22.580 1.00 20.00 C ATOM 128 O CYS A 10 20.235 27.022 22.563 1.00 20.00 O ATOM 129 CB CYS A 10 18.925 25.097 24.147 1.00 20.00 C ATOM 130 SG CYS A 10 18.367 23.977 25.456 1.00 20.00 S ATOM 0 H CYS A 10 21.326 25.749 25.203 1.00 20.00 H new ATOM 0 HA CYS A 10 20.335 23.884 23.119 1.00 20.00 H new ATOM 0 HB2 CYS A 10 18.870 26.119 24.523 1.00 20.00 H new ATOM 0 HB3 CYS A 10 18.226 25.026 23.314 1.00 20.00 H new ATOM 135 N LEU A 11 21.702 25.529 21.710 1.00 20.00 N ATOM 136 CA LEU A 11 22.093 26.305 20.535 1.00 20.00 C ATOM 137 C LEU A 11 20.888 26.433 19.586 1.00 20.00 C ATOM 138 O LEU A 11 20.025 25.552 19.576 1.00 20.00 O ATOM 139 CB LEU A 11 23.273 25.593 19.845 1.00 20.00 C ATOM 140 CG LEU A 11 24.687 25.841 20.425 1.00 20.00 C ATOM 141 CD1 LEU A 11 24.759 26.352 21.873 1.00 20.00 C ATOM 142 CD2 LEU A 11 25.558 24.585 20.332 1.00 20.00 C ATOM 0 H LEU A 11 22.224 24.658 21.808 1.00 20.00 H new ATOM 0 HA LEU A 11 22.407 27.308 20.822 1.00 20.00 H new ATOM 0 HB2 LEU A 11 23.081 24.520 19.870 1.00 20.00 H new ATOM 0 HB3 LEU A 11 23.281 25.891 18.797 1.00 20.00 H new ATOM 0 HG LEU A 11 25.058 26.648 19.794 1.00 20.00 H new ATOM 0 HD11 LEU A 11 25.802 26.486 22.160 1.00 20.00 H new ATOM 0 HD12 LEU A 11 24.237 27.306 21.949 1.00 20.00 H new ATOM 0 HD13 LEU A 11 24.289 25.627 22.538 1.00 20.00 H new ATOM 0 HD21 LEU A 11 26.544 24.794 20.748 1.00 20.00 H new ATOM 0 HD22 LEU A 11 25.091 23.776 20.894 1.00 20.00 H new ATOM 0 HD23 LEU A 11 25.660 24.289 19.288 1.00 20.00 H new ATOM 154 N PRO A 12 20.808 27.512 18.784 1.00 20.00 N ATOM 155 CA PRO A 12 19.647 27.809 17.951 1.00 20.00 C ATOM 156 C PRO A 12 19.527 26.827 16.779 1.00 20.00 C ATOM 157 O PRO A 12 20.457 26.086 16.467 1.00 20.00 O ATOM 158 CB PRO A 12 19.855 29.251 17.475 1.00 20.00 C ATOM 159 CG PRO A 12 21.374 29.376 17.421 1.00 20.00 C ATOM 160 CD PRO A 12 21.826 28.539 18.618 1.00 20.00 C ATOM 0 HA PRO A 12 18.713 27.703 18.503 1.00 20.00 H new ATOM 0 HB2 PRO A 12 19.400 29.424 16.500 1.00 20.00 H new ATOM 0 HB3 PRO A 12 19.415 29.971 18.164 1.00 20.00 H new ATOM 0 HG2 PRO A 12 21.778 28.993 16.484 1.00 20.00 H new ATOM 0 HG3 PRO A 12 21.698 30.413 17.507 1.00 20.00 H new ATOM 0 HD2 PRO A 12 22.805 28.095 18.438 1.00 20.00 H new ATOM 0 HD3 PRO A 12 21.914 29.153 19.515 1.00 20.00 H new ATOM 168 N GLN A 13 18.370 26.852 16.110 1.00 20.00 N ATOM 169 CA GLN A 13 18.034 25.981 14.982 1.00 20.00 C ATOM 170 C GLN A 13 18.883 26.258 13.724 1.00 20.00 C ATOM 171 O GLN A 13 18.841 25.465 12.784 1.00 20.00 O ATOM 172 CB GLN A 13 16.535 26.137 14.679 1.00 20.00 C ATOM 173 CG GLN A 13 15.659 25.563 15.804 1.00 20.00 C ATOM 174 CD GLN A 13 14.198 25.976 15.642 1.00 20.00 C ATOM 175 OE1 GLN A 13 13.546 25.614 14.666 1.00 20.00 O ATOM 176 NE2 GLN A 13 13.671 26.731 16.604 1.00 20.00 N ATOM 0 H GLN A 13 17.619 27.500 16.347 1.00 20.00 H new ATOM 0 HA GLN A 13 18.263 24.954 15.266 1.00 20.00 H new ATOM 0 HB2 GLN A 13 16.301 27.192 14.540 1.00 20.00 H new ATOM 0 HB3 GLN A 13 16.300 25.632 13.742 1.00 20.00 H new ATOM 0 HG2 GLN A 13 15.733 24.475 15.805 1.00 20.00 H new ATOM 0 HG3 GLN A 13 16.031 25.909 16.768 1.00 20.00 H new ATOM 0 HE21 GLN A 13 14.242 27.013 17.401 1.00 20.00 H new ATOM 0 HE22 GLN A 13 12.697 27.027 16.544 1.00 20.00 H new ATOM 185 N SER A 14 19.666 27.349 13.712 1.00 20.00 N ATOM 186 CA SER A 14 20.619 27.708 12.661 1.00 20.00 C ATOM 187 C SER A 14 22.060 27.258 12.958 1.00 20.00 C ATOM 188 O SER A 14 22.884 27.281 12.046 1.00 20.00 O ATOM 189 CB SER A 14 20.579 29.228 12.449 1.00 20.00 C ATOM 190 OG SER A 14 20.870 29.933 13.642 1.00 20.00 O ATOM 0 H SER A 14 19.648 28.032 14.470 1.00 20.00 H new ATOM 0 HA SER A 14 20.316 27.179 11.757 1.00 20.00 H new ATOM 0 HB2 SER A 14 21.297 29.506 11.678 1.00 20.00 H new ATOM 0 HB3 SER A 14 19.593 29.519 12.086 1.00 20.00 H new ATOM 0 HG SER A 14 21.814 29.807 13.875 1.00 20.00 H new ATOM 196 N ASP A 15 22.368 26.856 14.203 1.00 20.00 N ATOM 197 CA ASP A 15 23.719 26.524 14.672 1.00 20.00 C ATOM 198 C ASP A 15 23.746 25.257 15.553 1.00 20.00 C ATOM 199 O ASP A 15 24.704 25.047 16.299 1.00 20.00 O ATOM 200 CB ASP A 15 24.338 27.738 15.392 1.00 20.00 C ATOM 201 CG ASP A 15 24.358 29.003 14.530 1.00 20.00 C ATOM 202 OD1 ASP A 15 25.157 29.038 13.569 1.00 20.00 O ATOM 203 OD2 ASP A 15 23.579 29.930 14.843 1.00 20.00 O ATOM 0 H ASP A 15 21.661 26.751 14.930 1.00 20.00 H new ATOM 0 HA ASP A 15 24.328 26.290 13.799 1.00 20.00 H new ATOM 0 HB2 ASP A 15 23.776 27.937 16.305 1.00 20.00 H new ATOM 0 HB3 ASP A 15 25.357 27.494 15.692 1.00 20.00 H new ATOM 208 N CYS A 16 22.712 24.404 15.456 1.00 20.00 N ATOM 209 CA CYS A 16 22.627 23.107 16.121 1.00 20.00 C ATOM 210 C CYS A 16 22.293 22.020 15.080 1.00 20.00 C ATOM 211 O CYS A 16 21.140 21.593 14.986 1.00 20.00 O ATOM 212 CB CYS A 16 21.633 23.177 17.293 1.00 20.00 C ATOM 213 SG CYS A 16 21.456 21.657 18.277 1.00 20.00 S ATOM 0 H CYS A 16 21.888 24.612 14.892 1.00 20.00 H new ATOM 0 HA CYS A 16 23.586 22.834 16.561 1.00 20.00 H new ATOM 0 HB2 CYS A 16 21.942 23.983 17.958 1.00 20.00 H new ATOM 0 HB3 CYS A 16 20.654 23.447 16.898 1.00 20.00 H new ATOM 218 N PRO A 17 23.284 21.575 14.278 1.00 20.00 N ATOM 219 CA PRO A 17 23.106 20.556 13.244 1.00 20.00 C ATOM 220 C PRO A 17 23.012 19.141 13.835 1.00 20.00 C ATOM 221 O PRO A 17 23.287 18.918 15.016 1.00 20.00 O ATOM 222 CB PRO A 17 24.339 20.698 12.342 1.00 20.00 C ATOM 223 CG PRO A 17 25.426 21.143 13.318 1.00 20.00 C ATOM 224 CD PRO A 17 24.658 22.064 14.261 1.00 20.00 C ATOM 0 HA PRO A 17 22.172 20.698 12.700 1.00 20.00 H new ATOM 0 HB2 PRO A 17 24.594 19.757 11.855 1.00 20.00 H new ATOM 0 HB3 PRO A 17 24.180 21.432 11.552 1.00 20.00 H new ATOM 0 HG2 PRO A 17 25.869 20.299 13.846 1.00 20.00 H new ATOM 0 HG3 PRO A 17 26.238 21.665 12.812 1.00 20.00 H new ATOM 0 HD2 PRO A 17 25.090 22.045 15.261 1.00 20.00 H new ATOM 0 HD3 PRO A 17 24.699 23.097 13.916 1.00 20.00 H new ATOM 232 N GLN A 18 22.664 18.174 12.974 1.00 20.00 N ATOM 233 CA GLN A 18 22.572 16.750 13.281 1.00 20.00 C ATOM 234 C GLN A 18 23.916 16.113 13.677 1.00 20.00 C ATOM 235 O GLN A 18 23.924 14.999 14.202 1.00 20.00 O ATOM 236 CB GLN A 18 21.980 15.993 12.081 1.00 20.00 C ATOM 237 CG GLN A 18 20.638 16.557 11.579 1.00 20.00 C ATOM 238 CD GLN A 18 20.752 17.749 10.622 1.00 20.00 C ATOM 239 OE1 GLN A 18 21.795 18.003 10.024 1.00 20.00 O ATOM 240 NE2 GLN A 18 19.665 18.504 10.475 1.00 20.00 N ATOM 0 H GLN A 18 22.430 18.378 12.003 1.00 20.00 H new ATOM 0 HA GLN A 18 21.919 16.668 14.150 1.00 20.00 H new ATOM 0 HB2 GLN A 18 22.699 16.014 11.262 1.00 20.00 H new ATOM 0 HB3 GLN A 18 21.841 14.948 12.357 1.00 20.00 H new ATOM 0 HG2 GLN A 18 20.091 15.759 11.077 1.00 20.00 H new ATOM 0 HG3 GLN A 18 20.043 16.858 12.441 1.00 20.00 H new ATOM 0 HE21 GLN A 18 18.811 18.273 10.982 1.00 20.00 H new ATOM 0 HE22 GLN A 18 19.686 19.314 9.855 1.00 20.00 H new ATOM 249 N GLU A 19 25.040 16.806 13.445 1.00 20.00 N ATOM 250 CA GLU A 19 26.384 16.353 13.793 1.00 20.00 C ATOM 251 C GLU A 19 26.777 16.708 15.232 1.00 20.00 C ATOM 252 O GLU A 19 27.616 16.019 15.813 1.00 20.00 O ATOM 253 CB GLU A 19 27.401 16.994 12.840 1.00 20.00 C ATOM 254 CG GLU A 19 27.098 16.703 11.364 1.00 20.00 C ATOM 255 CD GLU A 19 28.319 16.969 10.483 1.00 20.00 C ATOM 256 OE1 GLU A 19 28.906 15.972 10.006 1.00 20.00 O ATOM 257 OE2 GLU A 19 28.670 18.160 10.323 1.00 20.00 O ATOM 0 H GLU A 19 25.033 17.722 12.997 1.00 20.00 H new ATOM 0 HA GLU A 19 26.385 15.267 13.704 1.00 20.00 H new ATOM 0 HB2 GLU A 19 27.411 18.072 12.998 1.00 20.00 H new ATOM 0 HB3 GLU A 19 28.399 16.627 13.081 1.00 20.00 H new ATOM 0 HG2 GLU A 19 26.786 15.665 11.253 1.00 20.00 H new ATOM 0 HG3 GLU A 19 26.265 17.323 11.032 1.00 20.00 H new ATOM 264 N ALA A 20 26.179 17.769 15.793 1.00 20.00 N ATOM 265 CA ALA A 20 26.506 18.328 17.104 1.00 20.00 C ATOM 266 C ALA A 20 25.393 18.132 18.144 1.00 20.00 C ATOM 267 O ALA A 20 25.624 18.404 19.325 1.00 20.00 O ATOM 268 CB ALA A 20 26.832 19.812 16.927 1.00 20.00 C ATOM 0 H ALA A 20 25.428 18.277 15.326 1.00 20.00 H new ATOM 0 HA ALA A 20 27.368 17.789 17.497 1.00 20.00 H new ATOM 0 HB1 ALA A 20 27.079 20.248 17.895 1.00 20.00 H new ATOM 0 HB2 ALA A 20 27.682 19.920 16.253 1.00 20.00 H new ATOM 0 HB3 ALA A 20 25.968 20.327 16.507 1.00 20.00 H new ATOM 274 N ARG A 21 24.211 17.646 17.729 1.00 20.00 N ATOM 275 CA ARG A 21 23.082 17.355 18.615 1.00 20.00 C ATOM 276 C ARG A 21 23.398 16.209 19.581 1.00 20.00 C ATOM 277 O ARG A 21 24.390 15.496 19.421 1.00 20.00 O ATOM 278 CB ARG A 21 21.812 17.063 17.795 1.00 20.00 C ATOM 279 CG ARG A 21 21.903 15.766 16.982 1.00 20.00 C ATOM 280 CD ARG A 21 20.612 15.485 16.208 1.00 20.00 C ATOM 281 NE ARG A 21 20.843 14.426 15.218 1.00 20.00 N ATOM 282 CZ ARG A 21 19.916 13.723 14.554 1.00 20.00 C ATOM 283 NH1 ARG A 21 18.610 13.933 14.723 1.00 20.00 N ATOM 284 NH2 ARG A 21 20.300 12.785 13.691 1.00 20.00 N ATOM 0 H ARG A 21 24.015 17.442 16.749 1.00 20.00 H new ATOM 0 HA ARG A 21 22.899 18.241 19.223 1.00 20.00 H new ATOM 0 HB2 ARG A 21 20.958 17.002 18.469 1.00 20.00 H new ATOM 0 HB3 ARG A 21 21.625 17.896 17.118 1.00 20.00 H new ATOM 0 HG2 ARG A 21 22.737 15.833 16.284 1.00 20.00 H new ATOM 0 HG3 ARG A 21 22.114 14.932 17.651 1.00 20.00 H new ATOM 0 HD2 ARG A 21 19.823 15.185 16.897 1.00 20.00 H new ATOM 0 HD3 ARG A 21 20.272 16.393 15.710 1.00 20.00 H new ATOM 0 HE ARG A 21 21.816 14.201 15.013 1.00 20.00 H new ATOM 0 HH11 ARG A 21 18.289 14.648 15.375 1.00 20.00 H new ATOM 0 HH12 ARG A 21 17.932 13.378 14.200 1.00 20.00 H new ATOM 0 HH21 ARG A 21 21.293 12.607 13.540 1.00 20.00 H new ATOM 0 HH22 ARG A 21 19.601 12.245 13.181 1.00 20.00 H new ATOM 298 N LEU A 22 22.508 16.014 20.560 1.00 20.00 N ATOM 299 CA LEU A 22 22.583 14.940 21.545 1.00 20.00 C ATOM 300 C LEU A 22 21.235 14.219 21.647 1.00 20.00 C ATOM 301 O LEU A 22 20.217 14.688 21.133 1.00 20.00 O ATOM 302 CB LEU A 22 23.019 15.515 22.906 1.00 20.00 C ATOM 303 CG LEU A 22 24.379 16.246 22.889 1.00 20.00 C ATOM 304 CD1 LEU A 22 24.544 17.030 24.188 1.00 20.00 C ATOM 305 CD2 LEU A 22 25.549 15.265 22.740 1.00 20.00 C ATOM 0 H LEU A 22 21.696 16.617 20.689 1.00 20.00 H new ATOM 0 HA LEU A 22 23.326 14.208 21.230 1.00 20.00 H new ATOM 0 HB2 LEU A 22 22.253 16.208 23.255 1.00 20.00 H new ATOM 0 HB3 LEU A 22 23.067 14.702 23.630 1.00 20.00 H new ATOM 0 HG LEU A 22 24.390 16.918 22.031 1.00 20.00 H new ATOM 0 HD11 LEU A 22 25.503 17.548 24.181 1.00 20.00 H new ATOM 0 HD12 LEU A 22 23.738 17.759 24.278 1.00 20.00 H new ATOM 0 HD13 LEU A 22 24.509 16.344 25.034 1.00 20.00 H new ATOM 0 HD21 LEU A 22 26.488 15.818 22.732 1.00 20.00 H new ATOM 0 HD22 LEU A 22 25.546 14.566 23.576 1.00 20.00 H new ATOM 0 HD23 LEU A 22 25.445 14.714 21.806 1.00 20.00 H new ATOM 317 N SER A 23 21.241 13.070 22.333 1.00 20.00 N ATOM 318 CA SER A 23 20.046 12.278 22.622 1.00 20.00 C ATOM 319 C SER A 23 19.177 12.927 23.714 1.00 20.00 C ATOM 320 O SER A 23 17.985 12.636 23.804 1.00 20.00 O ATOM 321 CB SER A 23 20.485 10.868 23.034 1.00 20.00 C ATOM 322 OG SER A 23 19.376 9.996 23.113 1.00 20.00 O ATOM 0 H SER A 23 22.095 12.659 22.709 1.00 20.00 H new ATOM 0 HA SER A 23 19.427 12.228 21.726 1.00 20.00 H new ATOM 0 HB2 SER A 23 21.205 10.482 22.313 1.00 20.00 H new ATOM 0 HB3 SER A 23 20.990 10.908 23.999 1.00 20.00 H new ATOM 0 HG SER A 23 19.681 9.102 23.376 1.00 20.00 H new ATOM 328 N TYR A 24 19.766 13.825 24.516 1.00 20.00 N ATOM 329 CA TYR A 24 19.111 14.593 25.569 1.00 20.00 C ATOM 330 C TYR A 24 18.226 15.709 24.991 1.00 20.00 C ATOM 331 O TYR A 24 18.325 16.053 23.811 1.00 20.00 O ATOM 332 CB TYR A 24 20.196 15.189 26.477 1.00 20.00 C ATOM 333 CG TYR A 24 21.222 14.185 26.960 1.00 20.00 C ATOM 334 CD1 TYR A 24 22.539 14.248 26.464 1.00 20.00 C ATOM 335 CD2 TYR A 24 20.851 13.150 27.833 1.00 20.00 C ATOM 336 CE1 TYR A 24 23.472 13.256 26.796 1.00 20.00 C ATOM 337 CE2 TYR A 24 21.786 12.162 28.193 1.00 20.00 C ATOM 338 CZ TYR A 24 23.097 12.203 27.668 1.00 20.00 C ATOM 339 OH TYR A 24 23.990 11.223 27.987 1.00 20.00 O ATOM 0 H TYR A 24 20.760 14.041 24.439 1.00 20.00 H new ATOM 0 HA TYR A 24 18.458 13.932 26.139 1.00 20.00 H new ATOM 0 HB2 TYR A 24 20.709 15.985 25.937 1.00 20.00 H new ATOM 0 HB3 TYR A 24 19.718 15.648 27.342 1.00 20.00 H new ATOM 0 HD1 TYR A 24 22.832 15.067 25.823 1.00 20.00 H new ATOM 0 HD2 TYR A 24 19.847 13.112 28.229 1.00 20.00 H new ATOM 0 HE1 TYR A 24 24.472 13.294 26.389 1.00 20.00 H new ATOM 0 HE2 TYR A 24 21.501 11.371 28.871 1.00 20.00 H new ATOM 0 HH TYR A 24 23.568 10.582 28.596 1.00 20.00 H new ATOM 349 N GLY A 25 17.379 16.294 25.848 1.00 20.00 N ATOM 350 CA GLY A 25 16.442 17.345 25.475 1.00 20.00 C ATOM 351 C GLY A 25 16.049 18.202 26.676 1.00 20.00 C ATOM 352 O GLY A 25 15.038 17.932 27.324 1.00 20.00 O ATOM 0 H GLY A 25 17.330 16.041 26.835 1.00 20.00 H new ATOM 0 HA2 GLY A 25 16.890 17.977 24.708 1.00 20.00 H new ATOM 0 HA3 GLY A 25 15.549 16.898 25.038 1.00 20.00 H new ATOM 356 N GLY A 26 16.848 19.243 26.950 1.00 20.00 N ATOM 357 CA GLY A 26 16.608 20.232 27.999 1.00 20.00 C ATOM 358 C GLY A 26 15.812 21.460 27.535 1.00 20.00 C ATOM 359 O GLY A 26 15.616 22.369 28.339 1.00 20.00 O ATOM 0 H GLY A 26 17.706 19.421 26.428 1.00 20.00 H new ATOM 0 HA2 GLY A 26 16.072 19.753 28.818 1.00 20.00 H new ATOM 0 HA3 GLY A 26 17.567 20.564 28.397 1.00 20.00 H new ATOM 363 N CYS A 27 15.363 21.492 26.269 1.00 20.00 N ATOM 364 CA CYS A 27 14.556 22.564 25.675 1.00 20.00 C ATOM 365 C CYS A 27 13.324 22.086 24.902 1.00 20.00 C ATOM 366 O CYS A 27 12.452 22.888 24.572 1.00 20.00 O ATOM 367 CB CYS A 27 15.448 23.439 24.789 1.00 20.00 C ATOM 368 SG CYS A 27 16.451 24.597 25.756 1.00 20.00 S ATOM 0 H CYS A 27 15.562 20.741 25.608 1.00 20.00 H new ATOM 0 HA CYS A 27 14.154 23.142 26.507 1.00 20.00 H new ATOM 0 HB2 CYS A 27 16.103 22.802 24.195 1.00 20.00 H new ATOM 0 HB3 CYS A 27 14.826 23.997 24.089 1.00 20.00 H new ATOM 373 N SER A 28 13.276 20.781 24.647 1.00 20.00 N ATOM 374 CA SER A 28 12.329 19.997 23.870 1.00 20.00 C ATOM 375 C SER A 28 12.331 20.343 22.380 1.00 20.00 C ATOM 376 O SER A 28 11.501 19.822 21.636 1.00 20.00 O ATOM 377 CB SER A 28 10.942 19.983 24.526 1.00 20.00 C ATOM 378 OG SER A 28 10.157 21.119 24.218 1.00 20.00 O ATOM 0 H SER A 28 13.998 20.173 25.034 1.00 20.00 H new ATOM 0 HA SER A 28 12.673 18.963 23.887 1.00 20.00 H new ATOM 0 HB2 SER A 28 10.409 19.087 24.209 1.00 20.00 H new ATOM 0 HB3 SER A 28 11.062 19.917 25.607 1.00 20.00 H new ATOM 0 HG SER A 28 10.714 21.924 24.265 1.00 20.00 H new ATOM 384 N THR A 29 13.273 21.196 21.952 1.00 20.00 N ATOM 385 CA THR A 29 13.374 21.707 20.595 1.00 20.00 C ATOM 386 C THR A 29 14.741 21.375 19.990 1.00 20.00 C ATOM 387 O THR A 29 14.804 20.726 18.946 1.00 20.00 O ATOM 388 CB THR A 29 13.074 23.220 20.578 1.00 20.00 C ATOM 389 OG1 THR A 29 13.937 23.921 21.454 1.00 20.00 O ATOM 390 CG2 THR A 29 11.631 23.504 21.010 1.00 20.00 C ATOM 0 H THR A 29 14.004 21.555 22.567 1.00 20.00 H new ATOM 0 HA THR A 29 12.628 21.218 19.969 1.00 20.00 H new ATOM 0 HB THR A 29 13.228 23.558 19.553 1.00 20.00 H new ATOM 0 HG1 THR A 29 13.727 24.878 21.423 1.00 20.00 H new ATOM 0 HG21 THR A 29 11.449 24.579 20.988 1.00 20.00 H new ATOM 0 HG22 THR A 29 10.942 23.006 20.328 1.00 20.00 H new ATOM 0 HG23 THR A 29 11.474 23.130 22.022 1.00 20.00 H new ATOM 398 N VAL A 30 15.817 21.814 20.656 1.00 20.00 N ATOM 399 CA VAL A 30 17.211 21.687 20.225 1.00 20.00 C ATOM 400 C VAL A 30 18.124 21.672 21.454 1.00 20.00 C ATOM 401 O VAL A 30 17.965 22.478 22.370 1.00 20.00 O ATOM 402 CB VAL A 30 17.641 22.826 19.259 1.00 20.00 C ATOM 403 CG1 VAL A 30 17.250 22.523 17.807 1.00 20.00 C ATOM 404 CG2 VAL A 30 17.113 24.223 19.627 1.00 20.00 C ATOM 0 H VAL A 30 15.732 22.290 21.554 1.00 20.00 H new ATOM 0 HA VAL A 30 17.302 20.750 19.675 1.00 20.00 H new ATOM 0 HB VAL A 30 18.725 22.853 19.365 1.00 20.00 H new ATOM 0 HG11 VAL A 30 17.569 23.344 17.165 1.00 20.00 H new ATOM 0 HG12 VAL A 30 17.734 21.601 17.484 1.00 20.00 H new ATOM 0 HG13 VAL A 30 16.168 22.408 17.738 1.00 20.00 H new ATOM 0 HG21 VAL A 30 17.466 24.950 18.895 1.00 20.00 H new ATOM 0 HG22 VAL A 30 16.023 24.211 19.630 1.00 20.00 H new ATOM 0 HG23 VAL A 30 17.475 24.500 20.617 1.00 20.00 H new ATOM 414 N CYS A 31 19.093 20.752 21.451 1.00 20.00 N ATOM 415 CA CYS A 31 20.182 20.660 22.409 1.00 20.00 C ATOM 416 C CYS A 31 21.439 20.157 21.694 1.00 20.00 C ATOM 417 O CYS A 31 21.433 19.067 21.118 1.00 20.00 O ATOM 418 CB CYS A 31 19.779 19.731 23.556 1.00 20.00 C ATOM 419 SG CYS A 31 21.102 19.421 24.756 1.00 20.00 S ATOM 0 H CYS A 31 19.135 20.019 20.743 1.00 20.00 H new ATOM 0 HA CYS A 31 20.398 21.641 22.832 1.00 20.00 H new ATOM 0 HB2 CYS A 31 18.925 20.164 24.077 1.00 20.00 H new ATOM 0 HB3 CYS A 31 19.450 18.779 23.140 1.00 20.00 H new ATOM 424 N CYS A 32 22.513 20.956 21.750 1.00 20.00 N ATOM 425 CA CYS A 32 23.819 20.653 21.184 1.00 20.00 C ATOM 426 C CYS A 32 24.918 20.859 22.234 1.00 20.00 C ATOM 427 O CYS A 32 24.818 21.730 23.101 1.00 20.00 O ATOM 428 CB CYS A 32 24.059 21.532 19.949 1.00 20.00 C ATOM 429 SG CYS A 32 23.347 20.905 18.407 1.00 20.00 S ATOM 0 H CYS A 32 22.487 21.866 22.211 1.00 20.00 H new ATOM 0 HA CYS A 32 23.847 19.608 20.877 1.00 20.00 H new ATOM 0 HB2 CYS A 32 23.649 22.523 20.143 1.00 20.00 H new ATOM 0 HB3 CYS A 32 25.134 21.653 19.812 1.00 20.00 H new ATOM 434 N ASP A 33 25.982 20.054 22.121 1.00 20.00 N ATOM 435 CA ASP A 33 27.160 20.107 22.978 1.00 20.00 C ATOM 436 C ASP A 33 28.012 21.337 22.642 1.00 20.00 C ATOM 437 O ASP A 33 28.684 21.378 21.611 1.00 20.00 O ATOM 438 CB ASP A 33 27.946 18.790 22.852 1.00 20.00 C ATOM 439 CG ASP A 33 29.331 18.794 23.511 1.00 20.00 C ATOM 440 OD1 ASP A 33 30.168 17.987 23.052 1.00 20.00 O ATOM 441 OD2 ASP A 33 29.535 19.558 24.481 1.00 20.00 O ATOM 0 H ASP A 33 26.043 19.328 21.407 1.00 20.00 H new ATOM 0 HA ASP A 33 26.857 20.213 24.020 1.00 20.00 H new ATOM 0 HB2 ASP A 33 27.354 17.988 23.292 1.00 20.00 H new ATOM 0 HB3 ASP A 33 28.065 18.555 21.794 1.00 20.00 H new ATOM 446 N LEU A 34 27.980 22.321 23.550 1.00 20.00 N ATOM 447 CA LEU A 34 28.834 23.509 23.566 1.00 20.00 C ATOM 448 C LEU A 34 29.986 23.387 24.574 1.00 20.00 C ATOM 449 O LEU A 34 30.946 24.154 24.494 1.00 20.00 O ATOM 450 CB LEU A 34 27.958 24.744 23.853 1.00 20.00 C ATOM 451 CG LEU A 34 27.292 24.783 25.253 1.00 20.00 C ATOM 452 CD1 LEU A 34 28.154 25.475 26.321 1.00 20.00 C ATOM 453 CD2 LEU A 34 25.959 25.531 25.173 1.00 20.00 C ATOM 0 H LEU A 34 27.324 22.306 24.331 1.00 20.00 H new ATOM 0 HA LEU A 34 29.306 23.615 22.589 1.00 20.00 H new ATOM 0 HB2 LEU A 34 28.572 25.637 23.738 1.00 20.00 H new ATOM 0 HB3 LEU A 34 27.175 24.795 23.096 1.00 20.00 H new ATOM 0 HG LEU A 34 27.156 23.743 25.549 1.00 20.00 H new ATOM 0 HD11 LEU A 34 27.627 25.466 27.275 1.00 20.00 H new ATOM 0 HD12 LEU A 34 29.101 24.945 26.424 1.00 20.00 H new ATOM 0 HD13 LEU A 34 28.346 26.505 26.022 1.00 20.00 H new ATOM 0 HD21 LEU A 34 25.496 25.555 26.159 1.00 20.00 H new ATOM 0 HD22 LEU A 34 26.134 26.550 24.829 1.00 20.00 H new ATOM 0 HD23 LEU A 34 25.297 25.021 24.474 1.00 20.00 H new ATOM 465 N SER A 35 29.898 22.431 25.513 1.00 20.00 N ATOM 466 CA SER A 35 30.868 22.216 26.583 1.00 20.00 C ATOM 467 C SER A 35 32.234 21.748 26.057 1.00 20.00 C ATOM 468 O SER A 35 33.238 21.923 26.745 1.00 20.00 O ATOM 469 CB SER A 35 30.276 21.204 27.571 1.00 20.00 C ATOM 470 OG SER A 35 31.077 21.109 28.729 1.00 20.00 O ATOM 0 H SER A 35 29.123 21.769 25.544 1.00 20.00 H new ATOM 0 HA SER A 35 31.056 23.166 27.084 1.00 20.00 H new ATOM 0 HB2 SER A 35 29.265 21.505 27.846 1.00 20.00 H new ATOM 0 HB3 SER A 35 30.199 20.226 27.095 1.00 20.00 H new ATOM 0 HG SER A 35 30.682 20.460 29.348 1.00 20.00 H new ATOM 476 N LYS A 36 32.280 21.216 24.825 1.00 20.00 N ATOM 477 CA LYS A 36 33.484 20.809 24.100 1.00 20.00 C ATOM 478 C LYS A 36 34.529 21.923 23.920 1.00 20.00 C ATOM 479 O LYS A 36 35.690 21.611 23.665 1.00 20.00 O ATOM 480 CB LYS A 36 33.079 20.235 22.730 1.00 20.00 C ATOM 481 CG LYS A 36 32.304 21.239 21.850 1.00 20.00 C ATOM 482 CD LYS A 36 32.147 20.766 20.401 1.00 20.00 C ATOM 483 CE LYS A 36 31.272 19.519 20.278 1.00 20.00 C ATOM 484 NZ LYS A 36 31.205 19.064 18.879 1.00 20.00 N ATOM 0 H LYS A 36 31.431 21.052 24.284 1.00 20.00 H new ATOM 0 HA LYS A 36 33.972 20.053 24.714 1.00 20.00 H new ATOM 0 HB2 LYS A 36 33.975 19.914 22.199 1.00 20.00 H new ATOM 0 HB3 LYS A 36 32.465 19.348 22.883 1.00 20.00 H new ATOM 0 HG2 LYS A 36 31.317 21.406 22.281 1.00 20.00 H new ATOM 0 HG3 LYS A 36 32.822 22.198 21.860 1.00 20.00 H new ATOM 0 HD2 LYS A 36 31.713 21.569 19.806 1.00 20.00 H new ATOM 0 HD3 LYS A 36 33.132 20.556 19.983 1.00 20.00 H new ATOM 0 HE2 LYS A 36 31.674 18.723 20.905 1.00 20.00 H new ATOM 0 HE3 LYS A 36 30.268 19.736 20.643 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 30.606 18.216 18.818 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 30.800 19.818 18.288 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 32.162 18.836 18.542 1.00 20.00 H new ATOM 498 N LEU A 37 34.137 23.201 24.049 1.00 20.00 N ATOM 499 CA LEU A 37 35.018 24.361 23.913 1.00 20.00 C ATOM 500 C LEU A 37 36.077 24.458 25.021 1.00 20.00 C ATOM 501 O LEU A 37 37.172 24.954 24.757 1.00 20.00 O ATOM 502 CB LEU A 37 34.162 25.638 23.908 1.00 20.00 C ATOM 503 CG LEU A 37 33.603 25.989 22.513 1.00 20.00 C ATOM 504 CD1 LEU A 37 32.451 26.995 22.634 1.00 20.00 C ATOM 505 CD2 LEU A 37 34.698 26.591 21.616 1.00 20.00 C ATOM 0 H LEU A 37 33.172 23.457 24.256 1.00 20.00 H new ATOM 0 HA LEU A 37 35.561 24.244 22.975 1.00 20.00 H new ATOM 0 HB2 LEU A 37 33.333 25.514 24.604 1.00 20.00 H new ATOM 0 HB3 LEU A 37 34.762 26.472 24.272 1.00 20.00 H new ATOM 0 HG LEU A 37 33.239 25.066 22.063 1.00 20.00 H new ATOM 0 HD11 LEU A 37 32.069 27.231 21.641 1.00 20.00 H new ATOM 0 HD12 LEU A 37 31.652 26.563 23.237 1.00 20.00 H new ATOM 0 HD13 LEU A 37 32.812 27.906 23.110 1.00 20.00 H new ATOM 0 HD21 LEU A 37 34.278 26.829 20.639 1.00 20.00 H new ATOM 0 HD22 LEU A 37 35.086 27.500 22.076 1.00 20.00 H new ATOM 0 HD23 LEU A 37 35.507 25.871 21.497 1.00 20.00 H new ATOM 517 N THR A 38 35.767 23.996 26.241 1.00 20.00 N ATOM 518 CA THR A 38 36.583 24.146 27.433 1.00 20.00 C ATOM 519 C THR A 38 36.886 22.770 28.040 1.00 20.00 C ATOM 520 O THR A 38 38.026 22.517 28.429 1.00 20.00 O ATOM 521 CB THR A 38 35.805 25.056 28.395 1.00 20.00 C ATOM 522 OG1 THR A 38 35.739 26.371 27.878 1.00 20.00 O ATOM 523 CG2 THR A 38 36.437 25.095 29.778 1.00 20.00 C ATOM 0 H THR A 38 34.902 23.487 26.421 1.00 20.00 H new ATOM 0 HA THR A 38 37.549 24.598 27.210 1.00 20.00 H new ATOM 0 HB THR A 38 34.802 24.640 28.490 1.00 20.00 H new ATOM 0 HG1 THR A 38 35.239 26.942 28.499 1.00 20.00 H new ATOM 0 HG21 THR A 38 35.855 25.750 30.426 1.00 20.00 H new ATOM 0 HG22 THR A 38 36.453 24.090 30.199 1.00 20.00 H new ATOM 0 HG23 THR A 38 37.456 25.473 29.702 1.00 20.00 H new ATOM 531 N GLY A 39 35.873 21.895 28.108 1.00 20.00 N ATOM 532 CA GLY A 39 35.967 20.540 28.637 1.00 20.00 C ATOM 533 C GLY A 39 36.397 19.574 27.541 1.00 20.00 C ATOM 534 O GLY A 39 37.590 19.200 27.542 1.00 20.00 O ATOM 0 H GLY A 39 34.934 22.126 27.783 1.00 20.00 H new ATOM 0 HA2 GLY A 39 36.683 20.512 29.458 1.00 20.00 H new ATOM 0 HA3 GLY A 39 35.003 20.233 29.044 1.00 20.00 H new TER 538 GLY A 39