USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 271 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 21 ASN : amide:sc= 2.25 K(o=2.7,f=-6!) USER MOD Set 1.2: A 24 THR OG1 : rot -50:sc= 0.473 USER MOD Set 2.1: A 14 ASN : amide:sc= 3.52 K(o=4.8,f=-7.8!) USER MOD Set 2.2: A 16 THR OG1 : rot 99:sc= 1.31 USER MOD Single : A 1 LYS N :NH3+ -127:sc= 0.188 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -176:sc= 2.06 (180deg=1.97) USER MOD Single : A 8 LYS NZ :NH3+ -109:sc= -0.153 (180deg=-3.13!) USER MOD Single : A 10 MET CE :methyl 176:sc= 0 (180deg=-0.0252) USER MOD Single : A 13 SER OG : rot -139:sc= 0.898 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= -0.344 K(o=-0.34,f=-2.3) USER MOD Single : A 25 ASN : amide:sc= 0.281 K(o=0.28,f=-0.24) USER MOD Single : A 27 SER OG : rot 60:sc= 1.08 USER MOD Single : A 28 GLN : amide:sc= 1.12 K(o=1.1,f=-0.058) USER MOD Single : A 33 SER OG : rot -51:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -10.744 -8.756 4.107 1.00 0.00 N ATOM 2 CA LYS A 1 -9.518 -8.000 3.749 1.00 0.00 C ATOM 3 C LYS A 1 -9.851 -7.038 2.599 1.00 0.00 C ATOM 4 O LYS A 1 -11.028 -6.874 2.297 1.00 0.00 O ATOM 5 CB LYS A 1 -8.365 -8.964 3.386 1.00 0.00 C ATOM 6 CG LYS A 1 -6.974 -8.392 3.725 1.00 0.00 C ATOM 7 CD LYS A 1 -5.869 -9.099 2.928 1.00 0.00 C ATOM 8 CE LYS A 1 -4.493 -8.524 3.288 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.444 -9.080 2.407 1.00 0.00 N ATOM 0 H1 LYS A 1 -10.921 -8.667 5.128 1.00 0.00 H new ATOM 0 H2 LYS A 1 -11.555 -8.373 3.580 1.00 0.00 H new ATOM 0 H3 LYS A 1 -10.617 -9.759 3.864 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.176 -7.417 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.504 -9.905 3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -8.409 -9.190 2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.955 -7.324 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.783 -8.503 4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.889 -10.168 3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.051 -8.981 1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.513 -7.438 3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.259 -8.752 4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.513 -8.730 2.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.458 -10.118 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.621 -8.783 1.426 1.00 0.00 H new ATOM 25 N LEU A 2 -8.844 -6.406 1.986 1.00 0.00 N ATOM 26 CA LEU A 2 -8.976 -5.634 0.751 1.00 0.00 C ATOM 27 C LEU A 2 -9.278 -6.581 -0.444 1.00 0.00 C ATOM 28 O LEU A 2 -9.260 -7.800 -0.247 1.00 0.00 O ATOM 29 CB LEU A 2 -7.680 -4.814 0.554 1.00 0.00 C ATOM 30 CG LEU A 2 -7.363 -3.723 1.603 1.00 0.00 C ATOM 31 CD1 LEU A 2 -8.588 -2.910 2.029 1.00 0.00 C ATOM 32 CD2 LEU A 2 -6.684 -4.274 2.859 1.00 0.00 C ATOM 0 H LEU A 2 -7.890 -6.419 2.347 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.815 -4.941 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.842 -5.510 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.729 -4.337 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.669 -3.063 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.291 -2.164 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.014 -2.411 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.332 -3.576 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.489 -3.458 3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.336 -5.007 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.743 -4.750 2.585 1.00 0.00 H new ATOM 44 N PRO A 3 -9.593 -6.069 -1.656 1.00 0.00 N ATOM 45 CA PRO A 3 -10.072 -6.895 -2.777 1.00 0.00 C ATOM 46 C PRO A 3 -9.109 -8.020 -3.235 1.00 0.00 C ATOM 47 O PRO A 3 -7.927 -8.015 -2.868 1.00 0.00 O ATOM 48 CB PRO A 3 -10.407 -5.899 -3.899 1.00 0.00 C ATOM 49 CG PRO A 3 -10.765 -4.636 -3.126 1.00 0.00 C ATOM 50 CD PRO A 3 -9.741 -4.656 -2.002 1.00 0.00 C ATOM 0 HA PRO A 3 -10.942 -7.472 -2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.560 -5.740 -4.566 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.237 -6.246 -4.515 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.678 -3.741 -3.742 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.787 -4.664 -2.748 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.792 -4.226 -2.324 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.081 -4.073 -1.146 1.00 0.00 H new ATOM 58 N PRO A 4 -9.585 -8.991 -4.046 1.00 0.00 N ATOM 59 CA PRO A 4 -8.834 -10.191 -4.419 1.00 0.00 C ATOM 60 C PRO A 4 -7.403 -9.925 -4.899 1.00 0.00 C ATOM 61 O PRO A 4 -7.164 -9.177 -5.846 1.00 0.00 O ATOM 62 CB PRO A 4 -9.663 -10.900 -5.490 1.00 0.00 C ATOM 63 CG PRO A 4 -11.090 -10.482 -5.150 1.00 0.00 C ATOM 64 CD PRO A 4 -10.923 -9.058 -4.622 1.00 0.00 C ATOM 0 HA PRO A 4 -8.692 -10.809 -3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -9.379 -10.586 -6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -9.538 -11.982 -5.447 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.738 -10.513 -6.026 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.534 -11.139 -4.402 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.038 -8.329 -5.425 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.681 -8.829 -3.873 1.00 0.00 H new ATOM 72 N GLY A 5 -6.449 -10.568 -4.221 1.00 0.00 N ATOM 73 CA GLY A 5 -5.018 -10.490 -4.505 1.00 0.00 C ATOM 74 C GLY A 5 -4.259 -9.410 -3.727 1.00 0.00 C ATOM 75 O GLY A 5 -3.031 -9.452 -3.709 1.00 0.00 O ATOM 0 H GLY A 5 -6.662 -11.178 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.567 -11.458 -4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.884 -10.309 -5.572 1.00 0.00 H new ATOM 79 N TRP A 6 -4.927 -8.435 -3.099 1.00 0.00 N ATOM 80 CA TRP A 6 -4.214 -7.323 -2.463 1.00 0.00 C ATOM 81 C TRP A 6 -3.449 -7.709 -1.190 1.00 0.00 C ATOM 82 O TRP A 6 -3.995 -8.269 -0.231 1.00 0.00 O ATOM 83 CB TRP A 6 -5.166 -6.160 -2.202 1.00 0.00 C ATOM 84 CG TRP A 6 -5.487 -5.368 -3.430 1.00 0.00 C ATOM 85 CD1 TRP A 6 -6.703 -5.269 -4.000 1.00 0.00 C ATOM 86 CD2 TRP A 6 -4.617 -4.491 -4.205 1.00 0.00 C ATOM 87 NE1 TRP A 6 -6.659 -4.378 -5.049 1.00 0.00 N ATOM 88 CE2 TRP A 6 -5.396 -3.863 -5.221 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.266 -4.101 -4.099 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -4.866 -2.902 -6.092 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -2.730 -3.119 -4.950 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.519 -2.529 -5.954 1.00 0.00 C ATOM 0 H TRP A 6 -5.943 -8.393 -3.018 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.447 -7.013 -3.173 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.092 -6.547 -1.776 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.724 -5.498 -1.457 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -7.583 -5.809 -3.682 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -7.463 -4.131 -5.626 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -2.635 -4.563 -3.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -5.483 -2.455 -6.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.701 -2.814 -4.832 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.090 -1.792 -6.617 1.00 0.00 H new ATOM 103 N GLU A 7 -2.180 -7.300 -1.143 1.00 0.00 N ATOM 104 CA GLU A 7 -1.291 -7.537 -0.017 1.00 0.00 C ATOM 105 C GLU A 7 -0.419 -6.316 0.281 1.00 0.00 C ATOM 106 O GLU A 7 0.138 -5.685 -0.617 1.00 0.00 O ATOM 107 CB GLU A 7 -0.430 -8.794 -0.271 1.00 0.00 C ATOM 108 CG GLU A 7 -0.454 -9.777 0.909 1.00 0.00 C ATOM 109 CD GLU A 7 0.012 -9.129 2.216 1.00 0.00 C ATOM 110 OE1 GLU A 7 -0.813 -8.433 2.868 1.00 0.00 O ATOM 111 OE2 GLU A 7 1.212 -9.272 2.540 1.00 0.00 O ATOM 0 H GLU A 7 -1.738 -6.785 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.904 -7.712 0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.789 -9.300 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.599 -8.491 -0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.466 -10.162 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.185 -10.630 0.681 1.00 0.00 H new ATOM 118 N LYS A 8 -0.319 -5.995 1.575 1.00 0.00 N ATOM 119 CA LYS A 8 0.556 -4.962 2.127 1.00 0.00 C ATOM 120 C LYS A 8 2.014 -5.351 1.879 1.00 0.00 C ATOM 121 O LYS A 8 2.396 -6.513 2.064 1.00 0.00 O ATOM 122 CB LYS A 8 0.182 -4.741 3.611 1.00 0.00 C ATOM 123 CG LYS A 8 1.266 -4.209 4.567 1.00 0.00 C ATOM 124 CD LYS A 8 2.347 -5.194 5.059 1.00 0.00 C ATOM 125 CE LYS A 8 1.860 -6.559 5.583 1.00 0.00 C ATOM 126 NZ LYS A 8 1.470 -7.496 4.500 1.00 0.00 N ATOM 0 H LYS A 8 -0.868 -6.468 2.293 1.00 0.00 H new ATOM 0 HA LYS A 8 0.423 -4.000 1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.658 -4.047 3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.175 -5.691 4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.771 -3.380 4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.765 -3.798 5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.041 -5.374 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.913 -4.708 5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.649 -7.014 6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.008 -6.404 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.437 -7.614 4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.777 -7.113 3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.923 -8.418 4.659 1.00 0.00 H new ATOM 140 N ARG A 9 2.834 -4.372 1.503 1.00 0.00 N ATOM 141 CA ARG A 9 4.263 -4.530 1.190 1.00 0.00 C ATOM 142 C ARG A 9 5.073 -3.365 1.778 1.00 0.00 C ATOM 143 O ARG A 9 4.502 -2.354 2.181 1.00 0.00 O ATOM 144 CB ARG A 9 4.440 -4.610 -0.338 1.00 0.00 C ATOM 145 CG ARG A 9 3.874 -5.859 -1.029 1.00 0.00 C ATOM 146 CD ARG A 9 4.618 -7.165 -0.721 1.00 0.00 C ATOM 147 NE ARG A 9 3.939 -8.008 0.283 1.00 0.00 N ATOM 148 CZ ARG A 9 4.165 -9.303 0.487 1.00 0.00 C ATOM 149 NH1 ARG A 9 5.109 -9.946 -0.163 1.00 0.00 N ATOM 150 NH2 ARG A 9 3.457 -9.997 1.341 1.00 0.00 N ATOM 0 H ARG A 9 2.515 -3.408 1.402 1.00 0.00 H new ATOM 0 HA ARG A 9 4.635 -5.451 1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.971 -3.732 -0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.505 -4.550 -0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.830 -5.976 -0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.887 -5.697 -2.107 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.733 -7.734 -1.643 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.621 -6.927 -0.366 1.00 0.00 H new ATOM 0 HE ARG A 9 3.236 -7.559 0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.688 -9.452 -0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.263 -10.939 0.011 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.710 -9.546 1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.652 -10.989 1.478 1.00 0.00 H new ATOM 164 N MET A 10 6.402 -3.504 1.833 1.00 0.00 N ATOM 165 CA MET A 10 7.306 -2.483 2.373 1.00 0.00 C ATOM 166 C MET A 10 8.525 -2.277 1.466 1.00 0.00 C ATOM 167 O MET A 10 9.199 -3.230 1.075 1.00 0.00 O ATOM 168 CB MET A 10 7.714 -2.858 3.804 1.00 0.00 C ATOM 169 CG MET A 10 8.499 -1.730 4.484 1.00 0.00 C ATOM 170 SD MET A 10 8.992 -2.070 6.195 1.00 0.00 S ATOM 171 CE MET A 10 10.291 -3.305 5.931 1.00 0.00 C ATOM 0 H MET A 10 6.886 -4.338 1.500 1.00 0.00 H new ATOM 0 HA MET A 10 6.780 -1.529 2.405 1.00 0.00 H new ATOM 0 HB2 MET A 10 6.823 -3.085 4.389 1.00 0.00 H new ATOM 0 HB3 MET A 10 8.321 -3.763 3.784 1.00 0.00 H new ATOM 0 HG2 MET A 10 9.394 -1.524 3.897 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.893 -0.824 4.469 1.00 0.00 H new ATOM 0 HE1 MET A 10 10.746 -3.565 6.887 1.00 0.00 H new ATOM 0 HE2 MET A 10 9.858 -4.198 5.481 1.00 0.00 H new ATOM 0 HE3 MET A 10 11.052 -2.896 5.266 1.00 0.00 H new ATOM 181 N PHE A 11 8.805 -1.017 1.138 1.00 0.00 N ATOM 182 CA PHE A 11 9.938 -0.576 0.336 1.00 0.00 C ATOM 183 C PHE A 11 11.248 -0.748 1.125 1.00 0.00 C ATOM 184 O PHE A 11 11.680 0.138 1.871 1.00 0.00 O ATOM 185 CB PHE A 11 9.672 0.874 -0.098 1.00 0.00 C ATOM 186 CG PHE A 11 10.552 1.498 -1.172 1.00 0.00 C ATOM 187 CD1 PHE A 11 11.705 0.866 -1.683 1.00 0.00 C ATOM 188 CD2 PHE A 11 10.202 2.777 -1.651 1.00 0.00 C ATOM 189 CE1 PHE A 11 12.496 1.507 -2.652 1.00 0.00 C ATOM 190 CE2 PHE A 11 10.993 3.418 -2.621 1.00 0.00 C ATOM 191 CZ PHE A 11 12.142 2.783 -3.123 1.00 0.00 C ATOM 0 H PHE A 11 8.217 -0.240 1.441 1.00 0.00 H new ATOM 0 HA PHE A 11 10.053 -1.184 -0.561 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.640 0.929 -0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.743 1.501 0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.981 -0.116 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.319 3.269 -1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 11 13.379 1.017 -3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.718 4.399 -2.980 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.751 3.274 -3.868 1.00 0.00 H new ATOM 201 N ARG A 12 11.884 -1.916 0.953 1.00 0.00 N ATOM 202 CA ARG A 12 13.209 -2.230 1.505 1.00 0.00 C ATOM 203 C ARG A 12 14.220 -1.087 1.308 1.00 0.00 C ATOM 204 O ARG A 12 14.242 -0.432 0.267 1.00 0.00 O ATOM 205 CB ARG A 12 13.728 -3.585 0.968 1.00 0.00 C ATOM 206 CG ARG A 12 13.485 -3.947 -0.516 1.00 0.00 C ATOM 207 CD ARG A 12 13.913 -2.915 -1.574 1.00 0.00 C ATOM 208 NE ARG A 12 15.297 -2.449 -1.384 1.00 0.00 N ATOM 209 CZ ARG A 12 16.418 -2.944 -1.885 1.00 0.00 C ATOM 210 NH1 ARG A 12 16.426 -3.945 -2.735 1.00 0.00 N ATOM 211 NH2 ARG A 12 17.568 -2.434 -1.522 1.00 0.00 N ATOM 0 H ARG A 12 11.483 -2.684 0.415 1.00 0.00 H new ATOM 0 HA ARG A 12 13.094 -2.332 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.803 -3.618 1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.282 -4.372 1.576 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.007 -4.881 -0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.420 -4.141 -0.646 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.815 -3.356 -2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.238 -2.060 -1.537 1.00 0.00 H new ATOM 0 HE ARG A 12 15.407 -1.632 -0.783 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.547 -4.369 -3.032 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.311 -4.298 -3.099 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.596 -1.661 -0.857 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.436 -2.810 -1.904 1.00 0.00 H new ATOM 225 N SER A 13 15.069 -0.874 2.317 1.00 0.00 N ATOM 226 CA SER A 13 16.084 0.193 2.421 1.00 0.00 C ATOM 227 C SER A 13 15.542 1.577 2.817 1.00 0.00 C ATOM 228 O SER A 13 16.350 2.476 3.033 1.00 0.00 O ATOM 229 CB SER A 13 16.986 0.298 1.175 1.00 0.00 C ATOM 230 OG SER A 13 17.543 -0.962 0.836 1.00 0.00 O ATOM 0 H SER A 13 15.071 -1.478 3.139 1.00 0.00 H new ATOM 0 HA SER A 13 16.698 -0.138 3.259 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.406 0.680 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 13 17.786 1.014 1.362 1.00 0.00 H new ATOM 0 HG SER A 13 18.479 -0.845 0.572 1.00 0.00 H new ATOM 236 N ASN A 14 14.219 1.767 2.954 1.00 0.00 N ATOM 237 CA ASN A 14 13.654 2.997 3.540 1.00 0.00 C ATOM 238 C ASN A 14 12.421 2.763 4.434 1.00 0.00 C ATOM 239 O ASN A 14 12.221 3.513 5.384 1.00 0.00 O ATOM 240 CB ASN A 14 13.379 4.034 2.440 1.00 0.00 C ATOM 241 CG ASN A 14 12.353 3.577 1.418 1.00 0.00 C ATOM 242 OD1 ASN A 14 11.166 3.470 1.706 1.00 0.00 O ATOM 243 ND2 ASN A 14 12.787 3.305 0.205 1.00 0.00 N ATOM 0 H ASN A 14 13.518 1.084 2.667 1.00 0.00 H new ATOM 0 HA ASN A 14 14.411 3.392 4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.033 4.959 2.902 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.313 4.264 1.927 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.132 2.999 -0.514 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.778 3.400 -0.015 1.00 0.00 H new ATOM 250 N GLY A 15 11.626 1.718 4.174 1.00 0.00 N ATOM 251 CA GLY A 15 10.511 1.303 5.027 1.00 0.00 C ATOM 252 C GLY A 15 9.147 1.859 4.610 1.00 0.00 C ATOM 253 O GLY A 15 8.174 1.653 5.333 1.00 0.00 O ATOM 0 H GLY A 15 11.743 1.128 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.459 0.214 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.718 1.615 6.051 1.00 0.00 H new ATOM 257 N THR A 16 9.050 2.543 3.462 1.00 0.00 N ATOM 258 CA THR A 16 7.775 3.044 2.928 1.00 0.00 C ATOM 259 C THR A 16 6.811 1.880 2.709 1.00 0.00 C ATOM 260 O THR A 16 7.060 1.025 1.858 1.00 0.00 O ATOM 261 CB THR A 16 7.953 3.802 1.600 1.00 0.00 C ATOM 262 OG1 THR A 16 8.962 4.781 1.703 1.00 0.00 O ATOM 263 CG2 THR A 16 6.659 4.500 1.177 1.00 0.00 C ATOM 0 H THR A 16 9.855 2.765 2.876 1.00 0.00 H new ATOM 0 HA THR A 16 7.373 3.742 3.663 1.00 0.00 H new ATOM 0 HB THR A 16 8.231 3.057 0.854 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.796 4.433 1.324 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.820 5.026 0.236 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.871 3.758 1.048 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.363 5.214 1.945 1.00 0.00 H new ATOM 271 N VAL A 17 5.702 1.840 3.450 1.00 0.00 N ATOM 272 CA VAL A 17 4.689 0.798 3.249 1.00 0.00 C ATOM 273 C VAL A 17 3.823 1.158 2.044 1.00 0.00 C ATOM 274 O VAL A 17 3.525 2.322 1.784 1.00 0.00 O ATOM 275 CB VAL A 17 3.848 0.573 4.522 1.00 0.00 C ATOM 276 CG1 VAL A 17 2.559 -0.237 4.306 1.00 0.00 C ATOM 277 CG2 VAL A 17 4.696 -0.196 5.545 1.00 0.00 C ATOM 0 H VAL A 17 5.482 2.509 4.188 1.00 0.00 H new ATOM 0 HA VAL A 17 5.188 -0.149 3.044 1.00 0.00 H new ATOM 0 HB VAL A 17 3.556 1.567 4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.034 -0.345 5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.918 0.282 3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.810 -1.224 3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.112 -0.362 6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.992 -1.157 5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.587 0.383 5.788 1.00 0.00 H new ATOM 287 N TYR A 18 3.448 0.118 1.305 1.00 0.00 N ATOM 288 CA TYR A 18 2.648 0.177 0.090 1.00 0.00 C ATOM 289 C TYR A 18 1.773 -1.082 -0.025 1.00 0.00 C ATOM 290 O TYR A 18 1.738 -1.906 0.890 1.00 0.00 O ATOM 291 CB TYR A 18 3.578 0.414 -1.119 1.00 0.00 C ATOM 292 CG TYR A 18 4.430 -0.748 -1.601 1.00 0.00 C ATOM 293 CD1 TYR A 18 5.661 -1.040 -0.982 1.00 0.00 C ATOM 294 CD2 TYR A 18 4.032 -1.469 -2.745 1.00 0.00 C ATOM 295 CE1 TYR A 18 6.487 -2.053 -1.506 1.00 0.00 C ATOM 296 CE2 TYR A 18 4.848 -2.488 -3.268 1.00 0.00 C ATOM 297 CZ TYR A 18 6.082 -2.779 -2.648 1.00 0.00 C ATOM 298 OH TYR A 18 6.881 -3.766 -3.137 1.00 0.00 O ATOM 0 H TYR A 18 3.708 -0.837 1.552 1.00 0.00 H new ATOM 0 HA TYR A 18 1.954 1.017 0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 18 2.962 0.746 -1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.247 1.238 -0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.971 -0.488 -0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.092 -1.237 -3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.432 -2.275 -1.034 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.532 -3.044 -4.138 1.00 0.00 H new ATOM 0 HH TYR A 18 6.459 -4.169 -3.924 1.00 0.00 H new ATOM 308 N TYR A 19 1.058 -1.246 -1.137 1.00 0.00 N ATOM 309 CA TYR A 19 0.292 -2.445 -1.455 1.00 0.00 C ATOM 310 C TYR A 19 0.557 -2.942 -2.876 1.00 0.00 C ATOM 311 O TYR A 19 0.841 -2.176 -3.800 1.00 0.00 O ATOM 312 CB TYR A 19 -1.201 -2.175 -1.268 1.00 0.00 C ATOM 313 CG TYR A 19 -1.759 -2.593 0.077 1.00 0.00 C ATOM 314 CD1 TYR A 19 -1.585 -1.778 1.210 1.00 0.00 C ATOM 315 CD2 TYR A 19 -2.508 -3.782 0.174 1.00 0.00 C ATOM 316 CE1 TYR A 19 -2.209 -2.123 2.421 1.00 0.00 C ATOM 317 CE2 TYR A 19 -3.116 -4.142 1.388 1.00 0.00 C ATOM 318 CZ TYR A 19 -2.977 -3.305 2.514 1.00 0.00 C ATOM 319 OH TYR A 19 -3.545 -3.662 3.696 1.00 0.00 O ATOM 0 H TYR A 19 0.995 -0.528 -1.859 1.00 0.00 H new ATOM 0 HA TYR A 19 0.615 -3.229 -0.770 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.383 -1.109 -1.406 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.751 -2.696 -2.052 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.974 -0.890 1.150 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.615 -4.421 -0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.101 -1.482 3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.687 -5.056 1.459 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.752 -2.857 4.216 1.00 0.00 H new ATOM 329 N PHE A 20 0.393 -4.256 -3.024 1.00 0.00 N ATOM 330 CA PHE A 20 0.647 -5.038 -4.226 1.00 0.00 C ATOM 331 C PHE A 20 -0.469 -6.064 -4.422 1.00 0.00 C ATOM 332 O PHE A 20 -0.770 -6.844 -3.519 1.00 0.00 O ATOM 333 CB PHE A 20 2.004 -5.728 -4.065 1.00 0.00 C ATOM 334 CG PHE A 20 2.456 -6.549 -5.255 1.00 0.00 C ATOM 335 CD1 PHE A 20 3.164 -5.910 -6.286 1.00 0.00 C ATOM 336 CD2 PHE A 20 2.207 -7.936 -5.332 1.00 0.00 C ATOM 337 CE1 PHE A 20 3.577 -6.630 -7.420 1.00 0.00 C ATOM 338 CE2 PHE A 20 2.659 -8.663 -6.450 1.00 0.00 C ATOM 339 CZ PHE A 20 3.321 -8.009 -7.503 1.00 0.00 C ATOM 0 H PHE A 20 0.057 -4.837 -2.256 1.00 0.00 H new ATOM 0 HA PHE A 20 0.667 -4.396 -5.107 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.758 -4.968 -3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.962 -6.378 -3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.393 -4.857 -6.207 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.673 -8.437 -4.538 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.090 -6.125 -8.225 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.496 -9.730 -6.499 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.632 -8.565 -8.375 1.00 0.00 H new ATOM 349 N ASN A 21 -1.103 -6.052 -5.591 1.00 0.00 N ATOM 350 CA ASN A 21 -2.101 -7.033 -5.976 1.00 0.00 C ATOM 351 C ASN A 21 -1.410 -8.258 -6.589 1.00 0.00 C ATOM 352 O ASN A 21 -1.032 -8.252 -7.759 1.00 0.00 O ATOM 353 CB ASN A 21 -3.104 -6.396 -6.937 1.00 0.00 C ATOM 354 CG ASN A 21 -4.237 -7.363 -7.194 1.00 0.00 C ATOM 355 OD1 ASN A 21 -4.098 -8.254 -8.024 1.00 0.00 O ATOM 356 ND2 ASN A 21 -5.329 -7.238 -6.466 1.00 0.00 N ATOM 0 H ASN A 21 -0.931 -5.346 -6.307 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.654 -7.371 -5.100 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.491 -5.469 -6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.612 -6.137 -7.875 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.098 -7.898 -6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.405 -6.482 -5.786 1.00 0.00 H new ATOM 363 N HIS A 22 -1.257 -9.326 -5.806 1.00 0.00 N ATOM 364 CA HIS A 22 -0.521 -10.529 -6.187 1.00 0.00 C ATOM 365 C HIS A 22 -1.205 -11.396 -7.270 1.00 0.00 C ATOM 366 O HIS A 22 -0.720 -12.489 -7.566 1.00 0.00 O ATOM 367 CB HIS A 22 -0.153 -11.308 -4.909 1.00 0.00 C ATOM 368 CG HIS A 22 -1.225 -12.239 -4.387 1.00 0.00 C ATOM 369 ND1 HIS A 22 -1.706 -13.350 -5.041 1.00 0.00 N ATOM 370 CD2 HIS A 22 -1.871 -12.160 -3.182 1.00 0.00 C ATOM 371 CE1 HIS A 22 -2.637 -13.919 -4.256 1.00 0.00 C ATOM 372 NE2 HIS A 22 -2.774 -13.226 -3.115 1.00 0.00 N ATOM 0 H HIS A 22 -1.651 -9.379 -4.867 1.00 0.00 H new ATOM 0 HA HIS A 22 0.393 -10.216 -6.691 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.747 -11.891 -5.105 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.096 -10.592 -4.126 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -1.409 -13.683 -5.958 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.712 -11.410 -2.421 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -3.196 -14.808 -4.508 1.00 0.00 H new ATOM 380 N ILE A 23 -2.331 -10.941 -7.841 1.00 0.00 N ATOM 381 CA ILE A 23 -3.018 -11.590 -8.969 1.00 0.00 C ATOM 382 C ILE A 23 -2.775 -10.813 -10.278 1.00 0.00 C ATOM 383 O ILE A 23 -2.762 -11.411 -11.351 1.00 0.00 O ATOM 384 CB ILE A 23 -4.522 -11.753 -8.627 1.00 0.00 C ATOM 385 CG1 ILE A 23 -4.680 -12.715 -7.422 1.00 0.00 C ATOM 386 CG2 ILE A 23 -5.343 -12.263 -9.826 1.00 0.00 C ATOM 387 CD1 ILE A 23 -6.122 -12.905 -6.934 1.00 0.00 C ATOM 0 H ILE A 23 -2.800 -10.092 -7.524 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.608 -12.587 -9.133 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.911 -10.768 -8.369 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.273 -13.688 -7.697 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.078 -12.340 -6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.389 -12.360 -9.536 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.260 -11.556 -10.651 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.962 -13.234 -10.141 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.132 -13.594 -6.089 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.531 -11.943 -6.623 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.729 -13.313 -7.742 1.00 0.00 H new ATOM 399 N THR A 24 -2.550 -9.495 -10.196 1.00 0.00 N ATOM 400 CA THR A 24 -2.441 -8.594 -11.361 1.00 0.00 C ATOM 401 C THR A 24 -1.100 -7.864 -11.485 1.00 0.00 C ATOM 402 O THR A 24 -0.751 -7.436 -12.584 1.00 0.00 O ATOM 403 CB THR A 24 -3.542 -7.524 -11.318 1.00 0.00 C ATOM 404 OG1 THR A 24 -3.397 -6.768 -10.145 1.00 0.00 O ATOM 405 CG2 THR A 24 -4.964 -8.086 -11.306 1.00 0.00 C ATOM 0 H THR A 24 -2.436 -9.012 -9.305 1.00 0.00 H new ATOM 0 HA THR A 24 -2.540 -9.254 -12.223 1.00 0.00 H new ATOM 0 HB THR A 24 -3.419 -6.938 -12.229 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.323 -7.370 -9.375 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.680 -7.264 -11.275 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.129 -8.677 -12.207 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.098 -8.717 -10.428 1.00 0.00 H new ATOM 413 N ASN A 25 -0.348 -7.737 -10.382 1.00 0.00 N ATOM 414 CA ASN A 25 0.860 -6.923 -10.172 1.00 0.00 C ATOM 415 C ASN A 25 0.556 -5.428 -9.930 1.00 0.00 C ATOM 416 O ASN A 25 1.496 -4.640 -9.764 1.00 0.00 O ATOM 417 CB ASN A 25 1.931 -7.128 -11.262 1.00 0.00 C ATOM 418 CG ASN A 25 2.234 -8.586 -11.568 1.00 0.00 C ATOM 419 OD1 ASN A 25 3.072 -9.214 -10.940 1.00 0.00 O ATOM 420 ND2 ASN A 25 1.560 -9.150 -12.550 1.00 0.00 N ATOM 0 H ASN A 25 -0.592 -8.249 -9.535 1.00 0.00 H new ATOM 0 HA ASN A 25 1.292 -7.300 -9.245 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.601 -6.637 -12.177 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.851 -6.635 -10.949 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.735 -10.125 -12.795 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.863 -8.612 -13.065 1.00 0.00 H new ATOM 427 N ALA A 26 -0.728 -5.017 -9.882 1.00 0.00 N ATOM 428 CA ALA A 26 -1.075 -3.626 -9.577 1.00 0.00 C ATOM 429 C ALA A 26 -0.395 -3.214 -8.262 1.00 0.00 C ATOM 430 O ALA A 26 -0.423 -3.955 -7.281 1.00 0.00 O ATOM 431 CB ALA A 26 -2.599 -3.462 -9.528 1.00 0.00 C ATOM 0 H ALA A 26 -1.529 -5.626 -10.049 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.712 -2.963 -10.362 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.846 -2.425 -9.301 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.025 -3.733 -10.494 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.010 -4.111 -8.755 1.00 0.00 H new ATOM 437 N SER A 27 0.213 -2.028 -8.243 1.00 0.00 N ATOM 438 CA SER A 27 1.092 -1.592 -7.157 1.00 0.00 C ATOM 439 C SER A 27 0.832 -0.126 -6.822 1.00 0.00 C ATOM 440 O SER A 27 0.833 0.709 -7.725 1.00 0.00 O ATOM 441 CB SER A 27 2.544 -1.776 -7.620 1.00 0.00 C ATOM 442 OG SER A 27 2.850 -3.136 -7.885 1.00 0.00 O ATOM 0 H SER A 27 0.109 -1.337 -8.986 1.00 0.00 H new ATOM 0 HA SER A 27 0.902 -2.182 -6.261 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.715 -1.184 -8.519 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.220 -1.395 -6.854 1.00 0.00 H new ATOM 0 HG SER A 27 2.262 -3.472 -8.593 1.00 0.00 H new ATOM 448 N GLN A 28 0.593 0.192 -5.544 1.00 0.00 N ATOM 449 CA GLN A 28 0.241 1.551 -5.109 1.00 0.00 C ATOM 450 C GLN A 28 0.650 1.809 -3.654 1.00 0.00 C ATOM 451 O GLN A 28 0.650 0.886 -2.847 1.00 0.00 O ATOM 452 CB GLN A 28 -1.272 1.782 -5.301 1.00 0.00 C ATOM 453 CG GLN A 28 -2.167 0.714 -4.648 1.00 0.00 C ATOM 454 CD GLN A 28 -3.640 1.047 -4.845 1.00 0.00 C ATOM 455 OE1 GLN A 28 -4.231 0.774 -5.878 1.00 0.00 O ATOM 456 NE2 GLN A 28 -4.271 1.674 -3.874 1.00 0.00 N ATOM 0 H GLN A 28 0.638 -0.484 -4.782 1.00 0.00 H new ATOM 0 HA GLN A 28 0.795 2.259 -5.726 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.533 2.757 -4.891 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.489 1.817 -6.369 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.950 -0.263 -5.080 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.944 0.648 -3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.779 1.903 -3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.252 1.931 -3.986 1.00 0.00 H new ATOM 465 N PHE A 29 0.991 3.058 -3.309 1.00 0.00 N ATOM 466 CA PHE A 29 1.389 3.422 -1.941 1.00 0.00 C ATOM 467 C PHE A 29 0.196 3.454 -0.975 1.00 0.00 C ATOM 468 O PHE A 29 0.260 2.838 0.086 1.00 0.00 O ATOM 469 CB PHE A 29 2.146 4.761 -1.941 1.00 0.00 C ATOM 470 CG PHE A 29 3.620 4.734 -2.338 1.00 0.00 C ATOM 471 CD1 PHE A 29 4.219 3.624 -2.975 1.00 0.00 C ATOM 472 CD2 PHE A 29 4.416 5.856 -2.035 1.00 0.00 C ATOM 473 CE1 PHE A 29 5.591 3.637 -3.288 1.00 0.00 C ATOM 474 CE2 PHE A 29 5.785 5.874 -2.356 1.00 0.00 C ATOM 475 CZ PHE A 29 6.375 4.762 -2.978 1.00 0.00 C ATOM 0 H PHE A 29 0.999 3.840 -3.964 1.00 0.00 H new ATOM 0 HA PHE A 29 2.060 2.644 -1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.627 5.441 -2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.074 5.189 -0.941 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.620 2.760 -3.223 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.970 6.712 -1.551 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.043 2.781 -3.767 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.383 6.743 -2.124 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.428 4.771 -3.218 1.00 0.00 H new ATOM 485 N GLU A 30 -0.895 4.144 -1.332 1.00 0.00 N ATOM 486 CA GLU A 30 -2.106 4.137 -0.506 1.00 0.00 C ATOM 487 C GLU A 30 -2.822 2.775 -0.581 1.00 0.00 C ATOM 488 O GLU A 30 -2.812 2.100 -1.612 1.00 0.00 O ATOM 489 CB GLU A 30 -3.010 5.322 -0.896 1.00 0.00 C ATOM 490 CG GLU A 30 -4.361 5.437 -0.159 1.00 0.00 C ATOM 491 CD GLU A 30 -4.262 5.515 1.374 1.00 0.00 C ATOM 492 OE1 GLU A 30 -3.617 4.635 1.986 1.00 0.00 O ATOM 493 OE2 GLU A 30 -4.907 6.383 1.999 1.00 0.00 O ATOM 0 H GLU A 30 -0.963 4.708 -2.179 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.833 4.270 0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.453 6.244 -0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.210 5.259 -1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.880 6.325 -0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.977 4.578 -0.425 1.00 0.00 H new ATOM 500 N ARG A 31 -3.461 2.379 0.524 1.00 0.00 N ATOM 501 CA ARG A 31 -4.146 1.096 0.708 1.00 0.00 C ATOM 502 C ARG A 31 -5.320 0.965 -0.297 1.00 0.00 C ATOM 503 O ARG A 31 -6.047 1.936 -0.513 1.00 0.00 O ATOM 504 CB ARG A 31 -4.633 0.958 2.165 1.00 0.00 C ATOM 505 CG ARG A 31 -3.584 1.247 3.263 1.00 0.00 C ATOM 506 CD ARG A 31 -4.166 1.996 4.476 1.00 0.00 C ATOM 507 NE ARG A 31 -4.518 3.395 4.168 1.00 0.00 N ATOM 508 CZ ARG A 31 -5.236 4.248 4.884 1.00 0.00 C ATOM 509 NH1 ARG A 31 -5.736 3.916 6.052 1.00 0.00 N ATOM 510 NH2 ARG A 31 -5.470 5.463 4.445 1.00 0.00 N ATOM 0 H ARG A 31 -3.517 2.971 1.352 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.446 0.285 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.476 1.633 2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.008 -0.056 2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.151 0.305 3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.773 1.836 2.835 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.054 1.472 4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.441 1.979 5.290 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.160 3.755 3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.575 2.982 6.429 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.285 4.592 6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.098 5.760 3.543 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.024 6.110 5.006 1.00 0.00 H new ATOM 524 N PRO A 32 -5.511 -0.203 -0.937 1.00 0.00 N ATOM 525 CA PRO A 32 -6.448 -0.376 -2.049 1.00 0.00 C ATOM 526 C PRO A 32 -7.917 -0.421 -1.613 1.00 0.00 C ATOM 527 O PRO A 32 -8.239 -0.778 -0.483 1.00 0.00 O ATOM 528 CB PRO A 32 -6.041 -1.686 -2.733 1.00 0.00 C ATOM 529 CG PRO A 32 -5.306 -2.466 -1.649 1.00 0.00 C ATOM 530 CD PRO A 32 -4.721 -1.399 -0.741 1.00 0.00 C ATOM 0 HA PRO A 32 -6.389 0.482 -2.719 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.912 -2.233 -3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.399 -1.502 -3.595 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.984 -3.122 -1.104 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.525 -3.097 -2.074 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.754 -1.718 0.301 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.675 -1.215 -0.985 1.00 0.00 H new ATOM 538 N SER A 33 -8.810 -0.116 -2.563 1.00 0.00 N ATOM 539 CA SER A 33 -10.269 -0.156 -2.386 1.00 0.00 C ATOM 540 C SER A 33 -11.025 -0.657 -3.635 1.00 0.00 C ATOM 541 O SER A 33 -12.246 -0.491 -3.707 1.00 0.00 O ATOM 542 CB SER A 33 -10.761 1.232 -1.950 1.00 0.00 C ATOM 543 OG SER A 33 -12.153 1.191 -1.718 1.00 0.00 O ATOM 0 H SER A 33 -8.532 0.173 -3.501 1.00 0.00 H new ATOM 0 HA SER A 33 -10.489 -0.887 -1.608 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.241 1.545 -1.045 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.532 1.968 -2.720 1.00 0.00 H new ATOM 0 HG SER A 33 -12.601 0.785 -2.489 1.00 0.00 H new ATOM 549 N GLY A 34 -10.318 -1.243 -4.609 1.00 0.00 N ATOM 550 CA GLY A 34 -10.847 -1.879 -5.820 1.00 0.00 C ATOM 551 C GLY A 34 -9.950 -3.044 -6.223 1.00 0.00 C ATOM 552 O GLY A 34 -8.737 -2.942 -5.934 1.00 0.00 O ATOM 553 OXT GLY A 34 -10.492 -4.039 -6.741 1.00 0.00 O ATOM 0 H GLY A 34 -9.300 -1.288 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.862 -2.234 -5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.901 -1.152 -6.630 1.00 0.00 H new TER 557 GLY A 34