USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 258 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 20 ASN : amide:sc= 2.55 K(o=3.2,f=-5!) USER MOD Set 1.2: A 23 THR OG1 : rot -49:sc= 0.688 USER MOD Single : A 1 LYS N :NH3+ -121:sc= 0.134 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 152:sc= 2.43 (180deg=2.06) USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= 1.25 (180deg=0.876) USER MOD Single : A 10 MET CE :methyl -173:sc= 0 (180deg=-0.0546) USER MOD Single : A 13 ASN : amide:sc= 1.15 K(o=1.1,f=-0.081) USER MOD Single : A 15 THR OG1 : rot -2:sc= 1.1 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -62:sc= 0.992 USER MOD Single : A 21 HIS : no HD1:sc= -0.608 X(o=-0.61,f=-0.58) USER MOD Single : A 24 ASN : amide:sc= 0.722 K(o=0.72,f=-0.098) USER MOD Single : A 26 SER OG : rot 21:sc= 0.689 USER MOD Single : A 27 GLN : amide:sc= 1.21 K(o=1.2,f=0.11) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -12.318 -6.300 0.968 1.00 0.00 N ATOM 2 CA LYS A 1 -10.920 -5.805 1.006 1.00 0.00 C ATOM 3 C LYS A 1 -10.555 -5.182 -0.345 1.00 0.00 C ATOM 4 O LYS A 1 -11.450 -4.955 -1.153 1.00 0.00 O ATOM 5 CB LYS A 1 -9.926 -6.910 1.444 1.00 0.00 C ATOM 6 CG LYS A 1 -9.850 -8.121 0.488 1.00 0.00 C ATOM 7 CD LYS A 1 -8.458 -8.779 0.423 1.00 0.00 C ATOM 8 CE LYS A 1 -7.488 -7.934 -0.416 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.208 -8.627 -0.692 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.874 -5.826 1.708 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.734 -6.095 0.037 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.327 -7.327 1.132 1.00 0.00 H new ATOM 0 HA LYS A 1 -10.844 -5.027 1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.932 -6.472 1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.209 -7.263 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.579 -8.867 0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -10.136 -7.799 -0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.062 -8.900 1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.543 -9.777 -0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.965 -7.674 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.284 -6.999 0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.810 -8.278 -1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.538 -8.440 0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.376 -9.651 -0.764 1.00 0.00 H new ATOM 25 N LEU A 2 -9.260 -4.942 -0.572 1.00 0.00 N ATOM 26 CA LEU A 2 -8.669 -4.458 -1.821 1.00 0.00 C ATOM 27 C LEU A 2 -9.147 -5.282 -3.050 1.00 0.00 C ATOM 28 O LEU A 2 -9.314 -6.497 -2.902 1.00 0.00 O ATOM 29 CB LEU A 2 -7.131 -4.537 -1.710 1.00 0.00 C ATOM 30 CG LEU A 2 -6.479 -4.133 -0.369 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.007 -4.532 -0.357 1.00 0.00 C ATOM 32 CD2 LEU A 2 -6.595 -2.643 -0.085 1.00 0.00 C ATOM 0 H LEU A 2 -8.557 -5.089 0.153 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.991 -3.428 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.832 -5.562 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.707 -3.906 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.022 -4.663 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.559 -4.242 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.922 -5.611 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.487 -4.029 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.120 -2.416 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.101 -2.082 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.647 -2.362 -0.042 1.00 0.00 H new ATOM 44 N PRO A 3 -9.343 -4.673 -4.243 1.00 0.00 N ATOM 45 CA PRO A 3 -9.794 -5.351 -5.469 1.00 0.00 C ATOM 46 C PRO A 3 -8.879 -6.500 -5.963 1.00 0.00 C ATOM 47 O PRO A 3 -7.735 -6.608 -5.515 1.00 0.00 O ATOM 48 CB PRO A 3 -9.913 -4.249 -6.535 1.00 0.00 C ATOM 49 CG PRO A 3 -10.039 -2.953 -5.746 1.00 0.00 C ATOM 50 CD PRO A 3 -9.254 -3.240 -4.475 1.00 0.00 C ATOM 0 HA PRO A 3 -10.739 -5.854 -5.263 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.038 -4.232 -7.185 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.782 -4.409 -7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.623 -2.107 -6.293 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.080 -2.713 -5.530 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.215 -2.929 -4.584 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.666 -2.685 -3.632 1.00 0.00 H new ATOM 58 N PRO A 4 -9.342 -7.330 -6.929 1.00 0.00 N ATOM 59 CA PRO A 4 -8.660 -8.529 -7.429 1.00 0.00 C ATOM 60 C PRO A 4 -7.136 -8.430 -7.590 1.00 0.00 C ATOM 61 O PRO A 4 -6.613 -7.711 -8.444 1.00 0.00 O ATOM 62 CB PRO A 4 -9.370 -8.894 -8.735 1.00 0.00 C ATOM 63 CG PRO A 4 -10.808 -8.486 -8.433 1.00 0.00 C ATOM 64 CD PRO A 4 -10.632 -7.215 -7.604 1.00 0.00 C ATOM 0 HA PRO A 4 -8.738 -9.313 -6.676 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -8.962 -8.352 -9.588 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -9.286 -9.957 -8.963 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.375 -8.299 -9.345 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.340 -9.260 -7.879 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.658 -6.331 -8.241 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.440 -7.110 -6.880 1.00 0.00 H new ATOM 72 N GLY A 5 -6.426 -9.168 -6.730 1.00 0.00 N ATOM 73 CA GLY A 5 -4.970 -9.275 -6.711 1.00 0.00 C ATOM 74 C GLY A 5 -4.261 -8.267 -5.806 1.00 0.00 C ATOM 75 O GLY A 5 -3.122 -8.523 -5.420 1.00 0.00 O ATOM 0 H GLY A 5 -6.870 -9.727 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.699 -10.281 -6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.598 -9.152 -7.728 1.00 0.00 H new ATOM 79 N TRP A 6 -4.889 -7.141 -5.446 1.00 0.00 N ATOM 80 CA TRP A 6 -4.230 -6.121 -4.630 1.00 0.00 C ATOM 81 C TRP A 6 -4.008 -6.596 -3.194 1.00 0.00 C ATOM 82 O TRP A 6 -4.914 -7.103 -2.532 1.00 0.00 O ATOM 83 CB TRP A 6 -5.010 -4.808 -4.662 1.00 0.00 C ATOM 84 CG TRP A 6 -4.895 -4.066 -5.954 1.00 0.00 C ATOM 85 CD1 TRP A 6 -5.860 -3.968 -6.893 1.00 0.00 C ATOM 86 CD2 TRP A 6 -3.747 -3.330 -6.473 1.00 0.00 C ATOM 87 NE1 TRP A 6 -5.399 -3.205 -7.949 1.00 0.00 N ATOM 88 CE2 TRP A 6 -4.101 -2.785 -7.742 1.00 0.00 C ATOM 89 CE3 TRP A 6 -2.433 -3.092 -6.013 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -3.206 -2.024 -8.508 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -1.524 -2.339 -6.779 1.00 0.00 C ATOM 92 CH2 TRP A 6 -1.909 -1.802 -8.019 1.00 0.00 C ATOM 0 H TRP A 6 -5.849 -6.916 -5.707 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.247 -5.942 -5.065 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.062 -5.017 -4.467 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.657 -4.167 -3.854 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.840 -4.416 -6.829 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.949 -2.980 -8.778 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -2.122 -3.494 -5.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.510 -1.615 -9.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -0.522 -2.173 -6.411 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -1.207 -1.218 -8.596 1.00 0.00 H new ATOM 103 N GLU A 7 -2.784 -6.408 -2.708 1.00 0.00 N ATOM 104 CA GLU A 7 -2.328 -6.775 -1.377 1.00 0.00 C ATOM 105 C GLU A 7 -1.388 -5.700 -0.812 1.00 0.00 C ATOM 106 O GLU A 7 -0.386 -5.337 -1.428 1.00 0.00 O ATOM 107 CB GLU A 7 -1.648 -8.155 -1.436 1.00 0.00 C ATOM 108 CG GLU A 7 -2.567 -9.290 -0.957 1.00 0.00 C ATOM 109 CD GLU A 7 -2.895 -9.158 0.536 1.00 0.00 C ATOM 110 OE1 GLU A 7 -1.986 -9.413 1.365 1.00 0.00 O ATOM 111 OE2 GLU A 7 -4.034 -8.747 0.880 1.00 0.00 O ATOM 0 H GLU A 7 -2.048 -5.973 -3.264 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.181 -6.840 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.332 -8.356 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.748 -8.138 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.491 -9.280 -1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.086 -10.251 -1.141 1.00 0.00 H new ATOM 118 N LYS A 8 -1.731 -5.200 0.381 1.00 0.00 N ATOM 119 CA LYS A 8 -0.925 -4.328 1.238 1.00 0.00 C ATOM 120 C LYS A 8 0.439 -4.949 1.568 1.00 0.00 C ATOM 121 O LYS A 8 0.534 -6.118 1.947 1.00 0.00 O ATOM 122 CB LYS A 8 -1.721 -3.973 2.514 1.00 0.00 C ATOM 123 CG LYS A 8 -1.914 -5.088 3.565 1.00 0.00 C ATOM 124 CD LYS A 8 -2.593 -6.363 3.033 1.00 0.00 C ATOM 125 CE LYS A 8 -2.928 -7.375 4.129 1.00 0.00 C ATOM 126 NZ LYS A 8 -3.355 -8.658 3.523 1.00 0.00 N ATOM 0 H LYS A 8 -2.638 -5.408 0.799 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.714 -3.408 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.222 -3.135 3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.707 -3.623 2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.940 -5.355 3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.508 -4.693 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.509 -6.087 2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.939 -6.835 2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.057 -7.536 4.765 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.720 -6.983 4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.756 -9.273 4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.075 -8.475 2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.535 -9.127 3.089 1.00 0.00 H new ATOM 140 N ARG A 9 1.498 -4.161 1.423 1.00 0.00 N ATOM 141 CA ARG A 9 2.907 -4.516 1.636 1.00 0.00 C ATOM 142 C ARG A 9 3.653 -3.305 2.217 1.00 0.00 C ATOM 143 O ARG A 9 3.049 -2.267 2.487 1.00 0.00 O ATOM 144 CB ARG A 9 3.515 -4.994 0.296 1.00 0.00 C ATOM 145 CG ARG A 9 2.928 -6.299 -0.279 1.00 0.00 C ATOM 146 CD ARG A 9 3.170 -7.520 0.625 1.00 0.00 C ATOM 147 NE ARG A 9 2.540 -8.746 0.092 1.00 0.00 N ATOM 148 CZ ARG A 9 1.380 -9.283 0.462 1.00 0.00 C ATOM 149 NH1 ARG A 9 0.584 -8.731 1.341 1.00 0.00 N ATOM 150 NH2 ARG A 9 0.959 -10.407 -0.065 1.00 0.00 N ATOM 0 H ARG A 9 1.394 -3.189 1.134 1.00 0.00 H new ATOM 0 HA ARG A 9 2.999 -5.332 2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.386 -4.203 -0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.588 -5.130 0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.856 -6.173 -0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.367 -6.487 -1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.242 -7.683 0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.777 -7.316 1.621 1.00 0.00 H new ATOM 0 HE ARG A 9 3.052 -9.236 -0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.842 -7.846 1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.295 -9.185 1.589 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.523 -10.883 -0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.068 -10.806 0.229 1.00 0.00 H new ATOM 164 N MET A 10 4.973 -3.402 2.385 1.00 0.00 N ATOM 165 CA MET A 10 5.759 -2.394 3.097 1.00 0.00 C ATOM 166 C MET A 10 7.211 -2.396 2.621 1.00 0.00 C ATOM 167 O MET A 10 7.780 -3.437 2.294 1.00 0.00 O ATOM 168 CB MET A 10 5.667 -2.590 4.621 1.00 0.00 C ATOM 169 CG MET A 10 6.215 -3.937 5.113 1.00 0.00 C ATOM 170 SD MET A 10 6.055 -4.211 6.899 1.00 0.00 S ATOM 171 CE MET A 10 7.270 -3.024 7.534 1.00 0.00 C ATOM 0 H MET A 10 5.527 -4.182 2.031 1.00 0.00 H new ATOM 0 HA MET A 10 5.336 -1.416 2.867 1.00 0.00 H new ATOM 0 HB2 MET A 10 6.213 -1.786 5.114 1.00 0.00 H new ATOM 0 HB3 MET A 10 4.624 -2.501 4.926 1.00 0.00 H new ATOM 0 HG2 MET A 10 5.696 -4.739 4.588 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.268 -4.007 4.841 1.00 0.00 H new ATOM 0 HE1 MET A 10 7.381 -3.158 8.610 1.00 0.00 H new ATOM 0 HE2 MET A 10 8.231 -3.191 7.046 1.00 0.00 H new ATOM 0 HE3 MET A 10 6.930 -2.009 7.328 1.00 0.00 H new ATOM 181 N PHE A 11 7.754 -1.185 2.502 1.00 0.00 N ATOM 182 CA PHE A 11 9.029 -0.868 1.878 1.00 0.00 C ATOM 183 C PHE A 11 10.123 -0.569 2.913 1.00 0.00 C ATOM 184 O PHE A 11 9.851 -0.013 3.980 1.00 0.00 O ATOM 185 CB PHE A 11 8.785 0.339 0.959 1.00 0.00 C ATOM 186 CG PHE A 11 9.894 0.572 -0.041 1.00 0.00 C ATOM 187 CD1 PHE A 11 10.060 -0.328 -1.109 1.00 0.00 C ATOM 188 CD2 PHE A 11 10.760 1.673 0.094 1.00 0.00 C ATOM 189 CE1 PHE A 11 11.112 -0.145 -2.024 1.00 0.00 C ATOM 190 CE2 PHE A 11 11.812 1.856 -0.822 1.00 0.00 C ATOM 191 CZ PHE A 11 11.990 0.944 -1.877 1.00 0.00 C ATOM 0 H PHE A 11 7.285 -0.353 2.861 1.00 0.00 H new ATOM 0 HA PHE A 11 9.392 -1.725 1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.848 0.193 0.422 1.00 0.00 H new ATOM 0 HB3 PHE A 11 8.665 1.233 1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.380 -1.159 -1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.617 2.377 0.900 1.00 0.00 H new ATOM 0 HE1 PHE A 11 11.246 -0.840 -2.839 1.00 0.00 H new ATOM 0 HE2 PHE A 11 12.482 2.696 -0.715 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.802 1.080 -2.576 1.00 0.00 H new ATOM 201 N ALA A 12 11.377 -0.886 2.563 1.00 0.00 N ATOM 202 CA ALA A 12 12.534 -0.820 3.462 1.00 0.00 C ATOM 203 C ALA A 12 12.842 0.584 4.019 1.00 0.00 C ATOM 204 O ALA A 12 13.468 0.696 5.068 1.00 0.00 O ATOM 205 CB ALA A 12 13.748 -1.387 2.717 1.00 0.00 C ATOM 0 H ALA A 12 11.619 -1.203 1.624 1.00 0.00 H new ATOM 0 HA ALA A 12 12.291 -1.413 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.623 -1.349 3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.551 -2.421 2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.934 -0.795 1.821 1.00 0.00 H new ATOM 211 N ASN A 13 12.370 1.649 3.358 1.00 0.00 N ATOM 212 CA ASN A 13 12.466 3.025 3.859 1.00 0.00 C ATOM 213 C ASN A 13 11.474 3.320 5.014 1.00 0.00 C ATOM 214 O ASN A 13 11.488 4.426 5.553 1.00 0.00 O ATOM 215 CB ASN A 13 12.276 3.988 2.667 1.00 0.00 C ATOM 216 CG ASN A 13 13.038 5.305 2.794 1.00 0.00 C ATOM 217 OD1 ASN A 13 13.810 5.671 1.924 1.00 0.00 O ATOM 218 ND2 ASN A 13 12.854 6.048 3.863 1.00 0.00 N ATOM 0 H ASN A 13 11.907 1.578 2.452 1.00 0.00 H new ATOM 0 HA ASN A 13 13.453 3.172 4.298 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.594 3.484 1.754 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.214 4.206 2.557 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.357 6.930 3.964 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.208 5.743 4.591 1.00 0.00 H new ATOM 225 N GLY A 14 10.601 2.371 5.383 1.00 0.00 N ATOM 226 CA GLY A 14 9.571 2.559 6.405 1.00 0.00 C ATOM 227 C GLY A 14 8.334 3.239 5.822 1.00 0.00 C ATOM 228 O GLY A 14 8.052 4.401 6.106 1.00 0.00 O ATOM 0 H GLY A 14 10.594 1.438 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.293 1.593 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.970 3.161 7.221 1.00 0.00 H new ATOM 232 N THR A 15 7.608 2.546 4.940 1.00 0.00 N ATOM 233 CA THR A 15 6.370 3.048 4.316 1.00 0.00 C ATOM 234 C THR A 15 5.540 1.862 3.819 1.00 0.00 C ATOM 235 O THR A 15 6.108 0.824 3.486 1.00 0.00 O ATOM 236 CB THR A 15 6.743 4.008 3.167 1.00 0.00 C ATOM 237 OG1 THR A 15 7.271 5.191 3.723 1.00 0.00 O ATOM 238 CG2 THR A 15 5.590 4.441 2.260 1.00 0.00 C ATOM 0 H THR A 15 7.863 1.608 4.632 1.00 0.00 H new ATOM 0 HA THR A 15 5.768 3.599 5.038 1.00 0.00 H new ATOM 0 HB THR A 15 7.443 3.444 2.551 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.240 5.135 4.701 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.966 5.113 1.489 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.147 3.563 1.791 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.834 4.956 2.853 1.00 0.00 H new ATOM 246 N VAL A 16 4.213 2.011 3.737 1.00 0.00 N ATOM 247 CA VAL A 16 3.306 0.988 3.190 1.00 0.00 C ATOM 248 C VAL A 16 3.031 1.265 1.715 1.00 0.00 C ATOM 249 O VAL A 16 2.880 2.413 1.302 1.00 0.00 O ATOM 250 CB VAL A 16 2.001 0.914 4.020 1.00 0.00 C ATOM 251 CG1 VAL A 16 0.758 0.400 3.272 1.00 0.00 C ATOM 252 CG2 VAL A 16 2.238 -0.033 5.202 1.00 0.00 C ATOM 0 H VAL A 16 3.731 2.853 4.051 1.00 0.00 H new ATOM 0 HA VAL A 16 3.786 0.012 3.260 1.00 0.00 H new ATOM 0 HB VAL A 16 1.785 1.943 4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.096 0.390 3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.544 1.056 2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.944 -0.611 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.330 -0.101 5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.501 -1.023 4.828 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.052 0.350 5.818 1.00 0.00 H new ATOM 262 N TYR A 17 2.930 0.186 0.936 1.00 0.00 N ATOM 263 CA TYR A 17 2.504 0.218 -0.460 1.00 0.00 C ATOM 264 C TYR A 17 1.552 -0.947 -0.756 1.00 0.00 C ATOM 265 O TYR A 17 1.216 -1.736 0.127 1.00 0.00 O ATOM 266 CB TYR A 17 3.736 0.235 -1.383 1.00 0.00 C ATOM 267 CG TYR A 17 4.436 -1.100 -1.567 1.00 0.00 C ATOM 268 CD1 TYR A 17 5.363 -1.534 -0.601 1.00 0.00 C ATOM 269 CD2 TYR A 17 4.177 -1.900 -2.702 1.00 0.00 C ATOM 270 CE1 TYR A 17 6.043 -2.753 -0.769 1.00 0.00 C ATOM 271 CE2 TYR A 17 4.851 -3.123 -2.868 1.00 0.00 C ATOM 272 CZ TYR A 17 5.789 -3.551 -1.905 1.00 0.00 C ATOM 273 OH TYR A 17 6.427 -4.742 -2.066 1.00 0.00 O ATOM 0 H TYR A 17 3.147 -0.754 1.268 1.00 0.00 H new ATOM 0 HA TYR A 17 1.945 1.133 -0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.429 0.602 -2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.456 0.951 -0.986 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.553 -0.928 0.273 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.462 -1.573 -3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 17 6.759 -3.079 -0.029 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.650 -3.736 -3.734 1.00 0.00 H new ATOM 0 HH TYR A 17 6.133 -5.160 -2.902 1.00 0.00 H new ATOM 283 N TYR A 18 1.117 -1.059 -2.007 1.00 0.00 N ATOM 284 CA TYR A 18 0.179 -2.065 -2.480 1.00 0.00 C ATOM 285 C TYR A 18 0.740 -2.758 -3.716 1.00 0.00 C ATOM 286 O TYR A 18 1.211 -2.102 -4.645 1.00 0.00 O ATOM 287 CB TYR A 18 -1.159 -1.386 -2.763 1.00 0.00 C ATOM 288 CG TYR A 18 -1.771 -0.855 -1.490 1.00 0.00 C ATOM 289 CD1 TYR A 18 -2.563 -1.710 -0.707 1.00 0.00 C ATOM 290 CD2 TYR A 18 -1.498 0.457 -1.056 1.00 0.00 C ATOM 291 CE1 TYR A 18 -3.125 -1.241 0.490 1.00 0.00 C ATOM 292 CE2 TYR A 18 -2.022 0.911 0.167 1.00 0.00 C ATOM 293 CZ TYR A 18 -2.858 0.071 0.933 1.00 0.00 C ATOM 294 OH TYR A 18 -3.430 0.539 2.074 1.00 0.00 O ATOM 0 H TYR A 18 1.422 -0.426 -2.746 1.00 0.00 H new ATOM 0 HA TYR A 18 0.025 -2.834 -1.723 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.015 -0.569 -3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.841 -2.096 -3.231 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.739 -2.727 -1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.888 1.112 -1.661 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.764 -1.887 1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.785 1.903 0.521 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.404 0.554 1.969 1.00 0.00 H new ATOM 304 N PHE A 19 0.677 -4.089 -3.722 1.00 0.00 N ATOM 305 CA PHE A 19 1.137 -4.952 -4.803 1.00 0.00 C ATOM 306 C PHE A 19 -0.034 -5.763 -5.357 1.00 0.00 C ATOM 307 O PHE A 19 -0.769 -6.380 -4.589 1.00 0.00 O ATOM 308 CB PHE A 19 2.225 -5.881 -4.253 1.00 0.00 C ATOM 309 CG PHE A 19 2.735 -6.884 -5.268 1.00 0.00 C ATOM 310 CD1 PHE A 19 3.525 -6.437 -6.342 1.00 0.00 C ATOM 311 CD2 PHE A 19 2.407 -8.250 -5.159 1.00 0.00 C ATOM 312 CE1 PHE A 19 3.994 -7.351 -7.299 1.00 0.00 C ATOM 313 CE2 PHE A 19 2.889 -9.165 -6.113 1.00 0.00 C ATOM 314 CZ PHE A 19 3.676 -8.716 -7.188 1.00 0.00 C ATOM 0 H PHE A 19 0.287 -4.615 -2.940 1.00 0.00 H new ATOM 0 HA PHE A 19 1.547 -4.352 -5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.061 -5.278 -3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.831 -6.418 -3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.771 -5.389 -6.431 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.787 -8.594 -4.345 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.601 -7.005 -8.123 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.654 -10.215 -6.019 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.035 -9.418 -7.926 1.00 0.00 H new ATOM 324 N ASN A 20 -0.211 -5.779 -6.678 1.00 0.00 N ATOM 325 CA ASN A 20 -1.230 -6.585 -7.333 1.00 0.00 C ATOM 326 C ASN A 20 -0.644 -7.926 -7.792 1.00 0.00 C ATOM 327 O ASN A 20 -0.037 -8.022 -8.858 1.00 0.00 O ATOM 328 CB ASN A 20 -1.869 -5.806 -8.481 1.00 0.00 C ATOM 329 CG ASN A 20 -3.063 -6.579 -9.011 1.00 0.00 C ATOM 330 OD1 ASN A 20 -2.897 -7.531 -9.765 1.00 0.00 O ATOM 331 ND2 ASN A 20 -4.262 -6.237 -8.584 1.00 0.00 N ATOM 0 H ASN A 20 0.354 -5.228 -7.324 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.021 -6.811 -6.618 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.183 -4.821 -8.136 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.142 -5.648 -9.277 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.080 -6.769 -8.881 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.372 -5.440 -7.957 1.00 0.00 H new ATOM 338 N HIS A 21 -0.848 -8.983 -7.006 1.00 0.00 N ATOM 339 CA HIS A 21 -0.252 -10.294 -7.271 1.00 0.00 C ATOM 340 C HIS A 21 -0.834 -11.041 -8.491 1.00 0.00 C ATOM 341 O HIS A 21 -0.351 -12.124 -8.811 1.00 0.00 O ATOM 342 CB HIS A 21 -0.288 -11.129 -5.982 1.00 0.00 C ATOM 343 CG HIS A 21 -1.656 -11.620 -5.574 1.00 0.00 C ATOM 344 ND1 HIS A 21 -2.398 -11.155 -4.512 1.00 0.00 N ATOM 345 CD2 HIS A 21 -2.378 -12.614 -6.178 1.00 0.00 C ATOM 346 CE1 HIS A 21 -3.542 -11.858 -4.476 1.00 0.00 C ATOM 347 NE2 HIS A 21 -3.580 -12.748 -5.477 1.00 0.00 N ATOM 0 H HIS A 21 -1.430 -8.956 -6.169 1.00 0.00 H new ATOM 0 HA HIS A 21 0.784 -10.125 -7.566 1.00 0.00 H new ATOM 0 HB2 HIS A 21 0.368 -11.991 -6.108 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.124 -10.531 -5.169 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.074 -13.190 -7.040 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -4.323 -11.724 -3.742 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.338 -13.397 -5.687 1.00 0.00 H new ATOM 355 N ILE A 22 -1.842 -10.482 -9.179 1.00 0.00 N ATOM 356 CA ILE A 22 -2.410 -11.034 -10.422 1.00 0.00 C ATOM 357 C ILE A 22 -1.804 -10.363 -11.673 1.00 0.00 C ATOM 358 O ILE A 22 -1.882 -10.918 -12.767 1.00 0.00 O ATOM 359 CB ILE A 22 -3.958 -10.927 -10.358 1.00 0.00 C ATOM 360 CG1 ILE A 22 -4.551 -11.764 -9.197 1.00 0.00 C ATOM 361 CG2 ILE A 22 -4.661 -11.310 -11.673 1.00 0.00 C ATOM 362 CD1 ILE A 22 -4.364 -13.285 -9.293 1.00 0.00 C ATOM 0 H ILE A 22 -2.295 -9.617 -8.882 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.147 -12.088 -10.511 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.152 -9.870 -10.178 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.103 -11.422 -8.264 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.619 -11.553 -9.133 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.740 -11.211 -11.551 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.324 -10.649 -12.472 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.418 -12.341 -11.928 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.820 -13.763 -8.426 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.839 -13.653 -10.202 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.300 -13.520 -9.319 1.00 0.00 H new ATOM 374 N THR A 23 -1.158 -9.199 -11.520 1.00 0.00 N ATOM 375 CA THR A 23 -0.614 -8.390 -12.633 1.00 0.00 C ATOM 376 C THR A 23 0.828 -7.925 -12.422 1.00 0.00 C ATOM 377 O THR A 23 1.430 -7.386 -13.347 1.00 0.00 O ATOM 378 CB THR A 23 -1.462 -7.129 -12.849 1.00 0.00 C ATOM 379 OG1 THR A 23 -1.438 -6.370 -11.662 1.00 0.00 O ATOM 380 CG2 THR A 23 -2.919 -7.422 -13.213 1.00 0.00 C ATOM 0 H THR A 23 -0.993 -8.781 -10.605 1.00 0.00 H new ATOM 0 HA THR A 23 -0.640 -9.056 -13.495 1.00 0.00 H new ATOM 0 HB THR A 23 -1.029 -6.592 -13.693 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.648 -6.949 -10.899 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.456 -6.483 -13.350 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.954 -7.998 -14.137 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.387 -7.993 -12.411 1.00 0.00 H new ATOM 388 N ASN A 24 1.375 -8.101 -11.213 1.00 0.00 N ATOM 389 CA ASN A 24 2.644 -7.545 -10.754 1.00 0.00 C ATOM 390 C ASN A 24 2.643 -5.996 -10.691 1.00 0.00 C ATOM 391 O ASN A 24 3.716 -5.399 -10.573 1.00 0.00 O ATOM 392 CB ASN A 24 3.803 -8.180 -11.557 1.00 0.00 C ATOM 393 CG ASN A 24 5.111 -8.287 -10.786 1.00 0.00 C ATOM 394 OD1 ASN A 24 5.564 -9.367 -10.443 1.00 0.00 O ATOM 395 ND2 ASN A 24 5.750 -7.178 -10.484 1.00 0.00 N ATOM 0 H ASN A 24 0.918 -8.664 -10.496 1.00 0.00 H new ATOM 0 HA ASN A 24 2.803 -7.818 -9.711 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.503 -9.176 -11.881 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.972 -7.590 -12.458 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.626 -7.220 -9.962 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.370 -6.276 -10.771 1.00 0.00 H new ATOM 402 N ALA A 25 1.479 -5.322 -10.758 1.00 0.00 N ATOM 403 CA ALA A 25 1.438 -3.872 -10.536 1.00 0.00 C ATOM 404 C ALA A 25 1.809 -3.501 -9.082 1.00 0.00 C ATOM 405 O ALA A 25 1.631 -4.296 -8.157 1.00 0.00 O ATOM 406 CB ALA A 25 0.056 -3.330 -10.925 1.00 0.00 C ATOM 0 H ALA A 25 0.576 -5.750 -10.960 1.00 0.00 H new ATOM 0 HA ALA A 25 2.189 -3.403 -11.172 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.028 -2.253 -10.759 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.134 -3.540 -11.977 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.708 -3.811 -10.315 1.00 0.00 H new ATOM 412 N SER A 26 2.294 -2.273 -8.873 1.00 0.00 N ATOM 413 CA SER A 26 2.718 -1.752 -7.567 1.00 0.00 C ATOM 414 C SER A 26 2.435 -0.255 -7.467 1.00 0.00 C ATOM 415 O SER A 26 2.899 0.497 -8.327 1.00 0.00 O ATOM 416 CB SER A 26 4.215 -1.979 -7.354 1.00 0.00 C ATOM 417 OG SER A 26 4.958 -1.268 -8.326 1.00 0.00 O ATOM 0 H SER A 26 2.406 -1.595 -9.627 1.00 0.00 H new ATOM 0 HA SER A 26 2.154 -2.285 -6.802 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.502 -1.652 -6.355 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.442 -3.043 -7.418 1.00 0.00 H new ATOM 0 HG SER A 26 4.410 -0.542 -8.690 1.00 0.00 H new ATOM 423 N GLN A 27 1.725 0.166 -6.419 1.00 0.00 N ATOM 424 CA GLN A 27 1.321 1.559 -6.182 1.00 0.00 C ATOM 425 C GLN A 27 1.372 1.889 -4.683 1.00 0.00 C ATOM 426 O GLN A 27 1.287 0.991 -3.848 1.00 0.00 O ATOM 427 CB GLN A 27 -0.106 1.777 -6.728 1.00 0.00 C ATOM 428 CG GLN A 27 -0.140 1.850 -8.263 1.00 0.00 C ATOM 429 CD GLN A 27 -1.548 2.075 -8.803 1.00 0.00 C ATOM 430 OE1 GLN A 27 -2.233 1.151 -9.216 1.00 0.00 O ATOM 431 NE2 GLN A 27 -2.026 3.301 -8.834 1.00 0.00 N ATOM 0 H GLN A 27 1.404 -0.469 -5.688 1.00 0.00 H new ATOM 0 HA GLN A 27 2.013 2.223 -6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.749 0.964 -6.391 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.514 2.699 -6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.509 2.658 -8.600 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.262 0.925 -8.677 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.461 4.078 -8.491 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.962 3.474 -9.201 1.00 0.00 H new ATOM 440 N PHE A 28 1.497 3.171 -4.330 1.00 0.00 N ATOM 441 CA PHE A 28 1.339 3.643 -2.945 1.00 0.00 C ATOM 442 C PHE A 28 -0.124 4.022 -2.662 1.00 0.00 C ATOM 443 O PHE A 28 -0.613 3.878 -1.543 1.00 0.00 O ATOM 444 CB PHE A 28 2.269 4.838 -2.706 1.00 0.00 C ATOM 445 CG PHE A 28 3.738 4.473 -2.801 1.00 0.00 C ATOM 446 CD1 PHE A 28 4.338 3.725 -1.771 1.00 0.00 C ATOM 447 CD2 PHE A 28 4.497 4.846 -3.927 1.00 0.00 C ATOM 448 CE1 PHE A 28 5.691 3.360 -1.858 1.00 0.00 C ATOM 449 CE2 PHE A 28 5.852 4.477 -4.015 1.00 0.00 C ATOM 450 CZ PHE A 28 6.450 3.736 -2.981 1.00 0.00 C ATOM 0 H PHE A 28 1.711 3.915 -4.995 1.00 0.00 H new ATOM 0 HA PHE A 28 1.610 2.839 -2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.046 5.617 -3.435 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.067 5.257 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.756 3.431 -0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.039 5.415 -4.723 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.149 2.791 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.434 4.764 -4.879 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.491 3.456 -3.049 1.00 0.00 H new ATOM 460 N GLU A 29 -0.814 4.487 -3.706 1.00 0.00 N ATOM 461 CA GLU A 29 -2.217 4.878 -3.762 1.00 0.00 C ATOM 462 C GLU A 29 -3.111 3.708 -3.318 1.00 0.00 C ATOM 463 O GLU A 29 -3.217 2.700 -4.017 1.00 0.00 O ATOM 464 CB GLU A 29 -2.574 5.351 -5.190 1.00 0.00 C ATOM 465 CG GLU A 29 -1.569 6.326 -5.839 1.00 0.00 C ATOM 466 CD GLU A 29 -0.447 5.590 -6.594 1.00 0.00 C ATOM 467 OE1 GLU A 29 0.553 5.205 -5.941 1.00 0.00 O ATOM 468 OE2 GLU A 29 -0.633 5.335 -7.804 1.00 0.00 O ATOM 0 H GLU A 29 -0.361 4.609 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.390 5.708 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.668 4.474 -5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.552 5.831 -5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.098 6.984 -6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.130 6.959 -5.068 1.00 0.00 H new ATOM 475 N ARG A 30 -3.733 3.834 -2.137 1.00 0.00 N ATOM 476 CA ARG A 30 -4.444 2.740 -1.464 1.00 0.00 C ATOM 477 C ARG A 30 -5.700 2.253 -2.221 1.00 0.00 C ATOM 478 O ARG A 30 -6.701 2.973 -2.270 1.00 0.00 O ATOM 479 CB ARG A 30 -4.682 3.091 0.014 1.00 0.00 C ATOM 480 CG ARG A 30 -5.690 4.214 0.301 1.00 0.00 C ATOM 481 CD ARG A 30 -5.501 4.806 1.706 1.00 0.00 C ATOM 482 NE ARG A 30 -5.493 3.758 2.742 1.00 0.00 N ATOM 483 CZ ARG A 30 -4.519 3.393 3.562 1.00 0.00 C ATOM 484 NH1 ARG A 30 -3.382 4.043 3.664 1.00 0.00 N ATOM 485 NH2 ARG A 30 -4.702 2.325 4.290 1.00 0.00 N ATOM 0 H ARG A 30 -3.756 4.711 -1.616 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.799 1.861 -1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.020 2.191 0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.726 3.371 0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.578 5.002 -0.443 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.704 3.826 0.204 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.564 5.362 1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.302 5.516 1.913 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.365 3.238 2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.216 4.873 3.095 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.665 3.718 4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.574 1.801 4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.973 2.015 4.932 1.00 0.00 H new ATOM 499 N PRO A 31 -5.683 1.044 -2.820 1.00 0.00 N ATOM 500 CA PRO A 31 -6.770 0.526 -3.641 1.00 0.00 C ATOM 501 C PRO A 31 -7.891 -0.028 -2.748 1.00 0.00 C ATOM 502 O PRO A 31 -8.003 -1.232 -2.537 1.00 0.00 O ATOM 503 CB PRO A 31 -6.102 -0.523 -4.537 1.00 0.00 C ATOM 504 CG PRO A 31 -5.028 -1.122 -3.630 1.00 0.00 C ATOM 505 CD PRO A 31 -4.619 0.053 -2.747 1.00 0.00 C ATOM 0 HA PRO A 31 -7.264 1.280 -4.253 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.813 -1.278 -4.872 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.670 -0.073 -5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.417 -1.952 -3.040 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.185 -1.506 -4.204 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.469 -0.274 -1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.675 0.478 -3.087 1.00 0.00 H new ATOM 513 N SER A 32 -8.717 0.874 -2.209 1.00 0.00 N ATOM 514 CA SER A 32 -9.868 0.571 -1.339 1.00 0.00 C ATOM 515 C SER A 32 -9.497 -0.220 -0.069 1.00 0.00 C ATOM 516 O SER A 32 -10.108 -1.245 0.242 1.00 0.00 O ATOM 517 CB SER A 32 -10.991 -0.117 -2.136 1.00 0.00 C ATOM 518 OG SER A 32 -11.359 0.639 -3.275 1.00 0.00 O ATOM 0 H SER A 32 -8.602 1.875 -2.370 1.00 0.00 H new ATOM 0 HA SER A 32 -10.239 1.530 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.662 -1.109 -2.447 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.861 -0.256 -1.494 1.00 0.00 H new ATOM 0 HG SER A 32 -12.073 0.174 -3.760 1.00 0.00 H new ATOM 524 N GLY A 33 -8.501 0.279 0.677 1.00 0.00 N ATOM 525 CA GLY A 33 -8.091 -0.247 1.987 1.00 0.00 C ATOM 526 C GLY A 33 -6.812 0.395 2.498 1.00 0.00 C ATOM 527 O GLY A 33 -5.720 -0.181 2.305 1.00 0.00 O ATOM 528 OXT GLY A 33 -6.919 1.493 3.084 1.00 0.00 O ATOM 0 H GLY A 33 -7.944 1.080 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.891 -0.080 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.948 -1.325 1.913 1.00 0.00 H new TER 532 GLY A 33