USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -155:sc= -0.622 (180deg=-1.94!) USER MOD Single : A 12 ASN : amide:sc= -0.0284 K(o=-0.028,f=-0.74) USER MOD Single : A 13 SER OG : rot -168:sc= -2.32! USER MOD Single : A 15 GLN : amide:sc= -0.0556 X(o=-0.056,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= -0.956 (180deg=-0.981) USER MOD Single : A 46 THR OG1 : rot -89:sc= 0.3 USER MOD Single : A 47 SER OG : rot 38:sc= 0.223 USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= -0.531 (180deg=-1.78!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.628 -12.929 -39.687 1.00 0.00 N ATOM 2 CA ALA A 1 -6.553 -12.524 -38.737 1.00 0.00 C ATOM 3 C ALA A 1 -7.167 -11.908 -37.486 1.00 0.00 C ATOM 4 O ALA A 1 -6.868 -10.767 -37.135 1.00 0.00 O ATOM 5 CB ALA A 1 -5.605 -11.521 -39.388 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.200 -13.348 -40.537 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.249 -13.628 -39.231 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.186 -12.094 -39.956 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.986 -13.414 -38.463 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.829 -11.239 -38.677 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.145 -11.973 -40.267 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.163 -10.633 -39.686 1.00 0.00 H new ATOM 13 N GLU A 2 -8.025 -12.671 -36.818 1.00 0.00 N ATOM 14 CA GLU A 2 -8.684 -12.201 -35.605 1.00 0.00 C ATOM 15 C GLU A 2 -8.266 -13.047 -34.410 1.00 0.00 C ATOM 16 O GLU A 2 -7.320 -13.831 -34.493 1.00 0.00 O ATOM 17 CB GLU A 2 -10.200 -12.262 -35.784 1.00 0.00 C ATOM 18 CG GLU A 2 -10.682 -13.704 -35.918 1.00 0.00 C ATOM 19 CD GLU A 2 -11.677 -13.823 -37.065 1.00 0.00 C ATOM 20 OE1 GLU A 2 -12.869 -13.518 -36.852 1.00 0.00 O ATOM 21 OE2 GLU A 2 -11.263 -14.219 -38.174 1.00 0.00 O ATOM 0 H GLU A 2 -8.281 -13.618 -37.096 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.385 -11.169 -35.420 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.689 -11.790 -34.932 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -10.487 -11.696 -36.670 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.833 -14.364 -36.094 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.149 -14.027 -34.987 1.00 0.00 H new ATOM 28 N GLY A 3 -8.987 -12.891 -33.302 1.00 0.00 N ATOM 29 CA GLY A 3 -8.719 -13.634 -32.084 1.00 0.00 C ATOM 30 C GLY A 3 -7.226 -13.681 -31.767 1.00 0.00 C ATOM 31 O GLY A 3 -6.422 -13.002 -32.407 1.00 0.00 O ATOM 0 H GLY A 3 -9.773 -12.245 -33.229 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -9.253 -13.174 -31.252 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.101 -14.650 -32.186 1.00 0.00 H new ATOM 35 N ASP A 4 -6.865 -14.482 -30.769 1.00 0.00 N ATOM 36 CA ASP A 4 -5.471 -14.614 -30.357 1.00 0.00 C ATOM 37 C ASP A 4 -5.044 -16.073 -30.360 1.00 0.00 C ATOM 38 O ASP A 4 -4.372 -16.541 -31.280 1.00 0.00 O ATOM 39 CB ASP A 4 -5.288 -14.050 -28.951 1.00 0.00 C ATOM 40 CG ASP A 4 -4.463 -12.771 -28.993 1.00 0.00 C ATOM 41 OD1 ASP A 4 -4.984 -11.742 -29.473 1.00 0.00 O ATOM 42 OD2 ASP A 4 -3.297 -12.799 -28.546 1.00 0.00 O ATOM 0 H ASP A 4 -7.519 -15.050 -30.230 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.855 -14.059 -31.065 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.261 -13.847 -28.504 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.794 -14.788 -28.318 1.00 0.00 H new ATOM 47 N ASP A 5 -5.426 -16.779 -29.302 1.00 0.00 N ATOM 48 CA ASP A 5 -5.087 -18.164 -29.132 1.00 0.00 C ATOM 49 C ASP A 5 -5.723 -18.668 -27.842 1.00 0.00 C ATOM 50 O ASP A 5 -5.605 -18.032 -26.794 1.00 0.00 O ATOM 51 CB ASP A 5 -3.574 -18.301 -29.058 1.00 0.00 C ATOM 52 CG ASP A 5 -3.164 -19.765 -28.958 1.00 0.00 C ATOM 53 OD1 ASP A 5 -3.908 -20.553 -28.338 1.00 0.00 O ATOM 54 OD2 ASP A 5 -2.099 -20.122 -29.503 1.00 0.00 O ATOM 0 H ASP A 5 -5.983 -16.393 -28.540 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.456 -18.752 -29.972 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.121 -17.852 -29.942 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -3.197 -17.754 -28.194 1.00 0.00 H new ATOM 59 N PRO A 6 -6.399 -19.820 -27.896 1.00 0.00 N ATOM 60 CA PRO A 6 -7.049 -20.418 -26.719 1.00 0.00 C ATOM 61 C PRO A 6 -6.045 -20.744 -25.617 1.00 0.00 C ATOM 62 O PRO A 6 -6.423 -20.968 -24.468 1.00 0.00 O ATOM 63 CB PRO A 6 -7.735 -21.664 -27.274 1.00 0.00 C ATOM 64 CG PRO A 6 -6.991 -21.979 -28.527 1.00 0.00 C ATOM 65 CD PRO A 6 -6.576 -20.643 -29.091 1.00 0.00 C ATOM 0 HA PRO A 6 -7.756 -19.741 -26.240 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.686 -22.491 -26.566 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.790 -21.479 -27.476 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.123 -22.606 -28.322 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.619 -22.525 -29.231 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.655 -20.718 -29.669 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.336 -20.232 -29.755 1.00 0.00 H new ATOM 73 N ALA A 7 -4.761 -20.735 -25.967 1.00 0.00 N ATOM 74 CA ALA A 7 -3.701 -20.991 -25.004 1.00 0.00 C ATOM 75 C ALA A 7 -3.728 -19.912 -23.931 1.00 0.00 C ATOM 76 O ALA A 7 -3.426 -20.163 -22.765 1.00 0.00 O ATOM 77 CB ALA A 7 -2.351 -20.972 -25.713 1.00 0.00 C ATOM 0 H ALA A 7 -4.432 -20.552 -26.915 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.852 -21.968 -24.545 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.558 -21.164 -24.990 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.334 -21.743 -26.484 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.195 -19.996 -26.172 1.00 0.00 H new ATOM 83 N LYS A 8 -4.091 -18.704 -24.351 1.00 0.00 N ATOM 84 CA LYS A 8 -4.166 -17.556 -23.457 1.00 0.00 C ATOM 85 C LYS A 8 -4.998 -17.884 -22.220 1.00 0.00 C ATOM 86 O LYS A 8 -4.832 -17.266 -21.168 1.00 0.00 O ATOM 87 CB LYS A 8 -4.774 -16.368 -24.203 1.00 0.00 C ATOM 88 CG LYS A 8 -6.261 -16.585 -24.485 1.00 0.00 C ATOM 89 CD LYS A 8 -7.125 -16.044 -23.341 1.00 0.00 C ATOM 90 CE LYS A 8 -7.983 -14.852 -23.774 1.00 0.00 C ATOM 91 NZ LYS A 8 -7.307 -14.041 -24.827 1.00 0.00 N ATOM 0 H LYS A 8 -4.340 -18.495 -25.318 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.159 -17.301 -23.128 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.643 -15.461 -23.613 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.243 -16.217 -25.143 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.534 -16.089 -25.416 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.457 -17.649 -24.621 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.772 -16.839 -22.970 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.482 -15.744 -22.513 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.941 -15.211 -24.150 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.195 -14.223 -22.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.669 -13.066 -24.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.281 -14.035 -24.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.499 -14.456 -25.761 1.00 0.00 H new ATOM 105 N ALA A 9 -5.896 -18.855 -22.355 1.00 0.00 N ATOM 106 CA ALA A 9 -6.760 -19.259 -21.251 1.00 0.00 C ATOM 107 C ALA A 9 -5.941 -19.520 -19.992 1.00 0.00 C ATOM 108 O ALA A 9 -6.312 -19.088 -18.900 1.00 0.00 O ATOM 109 CB ALA A 9 -7.538 -20.515 -21.632 1.00 0.00 C ATOM 0 H ALA A 9 -6.044 -19.377 -23.219 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.460 -18.449 -21.047 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.181 -20.810 -20.803 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.150 -20.311 -22.511 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.840 -21.322 -21.855 1.00 0.00 H new ATOM 115 N ALA A 10 -4.829 -20.229 -20.149 1.00 0.00 N ATOM 116 CA ALA A 10 -3.958 -20.549 -19.021 1.00 0.00 C ATOM 117 C ALA A 10 -3.590 -19.285 -18.253 1.00 0.00 C ATOM 118 O ALA A 10 -3.502 -19.300 -17.025 1.00 0.00 O ATOM 119 CB ALA A 10 -2.692 -21.241 -19.521 1.00 0.00 C ATOM 0 H ALA A 10 -4.508 -20.594 -21.046 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.493 -21.220 -18.349 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.047 -21.477 -18.674 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.961 -22.161 -20.039 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.163 -20.580 -20.207 1.00 0.00 H new ATOM 125 N PHE A 11 -3.375 -18.190 -18.978 1.00 0.00 N ATOM 126 CA PHE A 11 -3.016 -16.922 -18.352 1.00 0.00 C ATOM 127 C PHE A 11 -4.030 -16.570 -17.268 1.00 0.00 C ATOM 128 O PHE A 11 -3.655 -16.194 -16.157 1.00 0.00 O ATOM 129 CB PHE A 11 -2.949 -15.810 -19.406 1.00 0.00 C ATOM 130 CG PHE A 11 -2.314 -14.522 -18.898 1.00 0.00 C ATOM 131 CD1 PHE A 11 -1.757 -14.462 -17.624 1.00 0.00 C ATOM 132 CD2 PHE A 11 -2.286 -13.393 -19.710 1.00 0.00 C ATOM 133 CE1 PHE A 11 -1.182 -13.287 -17.170 1.00 0.00 C ATOM 134 CE2 PHE A 11 -1.709 -12.220 -19.250 1.00 0.00 C ATOM 135 CZ PHE A 11 -1.158 -12.168 -17.983 1.00 0.00 C ATOM 0 H PHE A 11 -3.443 -18.156 -19.995 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.033 -17.020 -17.892 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.383 -16.170 -20.265 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.958 -15.593 -19.757 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.773 -15.334 -16.988 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.715 -13.431 -20.701 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.752 -13.244 -16.180 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.690 -11.345 -19.882 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.708 -11.253 -17.628 1.00 0.00 H new ATOM 145 N ASN A 12 -5.314 -16.700 -17.592 1.00 0.00 N ATOM 146 CA ASN A 12 -6.380 -16.400 -16.638 1.00 0.00 C ATOM 147 C ASN A 12 -6.493 -17.508 -15.591 1.00 0.00 C ATOM 148 O ASN A 12 -6.728 -17.237 -14.413 1.00 0.00 O ATOM 149 CB ASN A 12 -7.711 -16.239 -17.368 1.00 0.00 C ATOM 150 CG ASN A 12 -8.631 -15.312 -16.586 1.00 0.00 C ATOM 151 OD1 ASN A 12 -8.431 -15.086 -15.392 1.00 0.00 O ATOM 152 ND2 ASN A 12 -9.641 -14.774 -17.258 1.00 0.00 N ATOM 0 H ASN A 12 -5.642 -17.011 -18.507 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.135 -15.466 -16.133 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -7.540 -15.836 -18.366 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -8.185 -17.212 -17.494 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.290 -14.145 -16.786 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.768 -14.990 -18.247 1.00 0.00 H new ATOM 159 N SER A 13 -6.330 -18.756 -16.026 1.00 0.00 N ATOM 160 CA SER A 13 -6.419 -19.903 -15.129 1.00 0.00 C ATOM 161 C SER A 13 -5.414 -19.778 -13.990 1.00 0.00 C ATOM 162 O SER A 13 -5.727 -20.087 -12.841 1.00 0.00 O ATOM 163 CB SER A 13 -6.158 -21.185 -15.911 1.00 0.00 C ATOM 164 OG SER A 13 -6.366 -20.967 -17.299 1.00 0.00 O ATOM 0 H SER A 13 -6.135 -18.997 -16.998 1.00 0.00 H new ATOM 0 HA SER A 13 -7.421 -19.934 -14.701 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.136 -21.523 -15.738 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.819 -21.976 -15.557 1.00 0.00 H new ATOM 0 HG SER A 13 -6.383 -21.828 -17.766 1.00 0.00 H new ATOM 170 N LEU A 14 -4.205 -19.328 -14.313 1.00 0.00 N ATOM 171 CA LEU A 14 -3.156 -19.170 -13.308 1.00 0.00 C ATOM 172 C LEU A 14 -3.674 -18.367 -12.121 1.00 0.00 C ATOM 173 O LEU A 14 -3.173 -18.500 -11.003 1.00 0.00 O ATOM 174 CB LEU A 14 -1.936 -18.481 -13.919 1.00 0.00 C ATOM 175 CG LEU A 14 -0.679 -18.742 -13.088 1.00 0.00 C ATOM 176 CD1 LEU A 14 -0.237 -20.203 -13.198 1.00 0.00 C ATOM 177 CD2 LEU A 14 0.463 -17.808 -13.495 1.00 0.00 C ATOM 0 H LEU A 14 -3.927 -19.067 -15.259 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.861 -20.159 -12.957 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.784 -18.841 -14.937 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.116 -17.408 -13.984 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.931 -18.537 -12.047 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.659 -20.358 -12.597 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.034 -20.852 -12.836 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.021 -20.440 -14.240 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.341 -18.020 -12.885 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.705 -17.965 -14.546 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.158 -16.773 -13.344 1.00 0.00 H new ATOM 189 N GLN A 15 -4.681 -17.538 -12.369 1.00 0.00 N ATOM 190 CA GLN A 15 -5.273 -16.712 -11.321 1.00 0.00 C ATOM 191 C GLN A 15 -6.350 -17.485 -10.560 1.00 0.00 C ATOM 192 O GLN A 15 -6.728 -17.104 -9.453 1.00 0.00 O ATOM 193 CB GLN A 15 -5.876 -15.453 -11.933 1.00 0.00 C ATOM 194 CG GLN A 15 -6.151 -14.401 -10.864 1.00 0.00 C ATOM 195 CD GLN A 15 -7.372 -13.571 -11.243 1.00 0.00 C ATOM 196 OE1 GLN A 15 -8.267 -13.359 -10.427 1.00 0.00 O ATOM 197 NE2 GLN A 15 -7.407 -13.104 -12.486 1.00 0.00 N ATOM 0 H GLN A 15 -5.106 -17.419 -13.288 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.488 -16.434 -10.618 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.195 -15.047 -12.681 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.803 -15.703 -12.448 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.316 -14.885 -9.901 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.282 -13.752 -10.750 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.641 -13.306 -13.128 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.200 -12.544 -12.798 1.00 0.00 H new ATOM 206 N ALA A 16 -6.845 -18.567 -11.158 1.00 0.00 N ATOM 207 CA ALA A 16 -7.881 -19.385 -10.535 1.00 0.00 C ATOM 208 C ALA A 16 -7.259 -20.494 -9.694 1.00 0.00 C ATOM 209 O ALA A 16 -7.893 -21.017 -8.777 1.00 0.00 O ATOM 210 CB ALA A 16 -8.773 -19.993 -11.612 1.00 0.00 C ATOM 0 H ALA A 16 -6.544 -18.897 -12.075 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.479 -18.750 -9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.545 -20.603 -11.143 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.241 -19.196 -12.190 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.171 -20.615 -12.274 1.00 0.00 H new ATOM 216 N SER A 17 -6.022 -20.858 -10.014 1.00 0.00 N ATOM 217 CA SER A 17 -5.323 -21.917 -9.291 1.00 0.00 C ATOM 218 C SER A 17 -4.423 -21.342 -8.197 1.00 0.00 C ATOM 219 O SER A 17 -3.939 -22.078 -7.338 1.00 0.00 O ATOM 220 CB SER A 17 -4.486 -22.738 -10.265 1.00 0.00 C ATOM 221 OG SER A 17 -5.316 -23.317 -11.263 1.00 0.00 O ATOM 0 H SER A 17 -5.482 -20.436 -10.769 1.00 0.00 H new ATOM 0 HA SER A 17 -6.070 -22.554 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.733 -22.103 -10.732 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.953 -23.521 -9.726 1.00 0.00 H new ATOM 0 HG SER A 17 -4.766 -23.840 -11.883 1.00 0.00 H new ATOM 227 N ALA A 18 -4.190 -20.033 -8.232 1.00 0.00 N ATOM 228 CA ALA A 18 -3.338 -19.381 -7.240 1.00 0.00 C ATOM 229 C ALA A 18 -3.888 -19.586 -5.831 1.00 0.00 C ATOM 230 O ALA A 18 -3.146 -19.929 -4.911 1.00 0.00 O ATOM 231 CB ALA A 18 -3.237 -17.890 -7.546 1.00 0.00 C ATOM 0 H ALA A 18 -4.578 -19.403 -8.935 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.346 -19.830 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.601 -17.408 -6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.807 -17.750 -8.538 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.231 -17.444 -7.516 1.00 0.00 H new ATOM 237 N THR A 19 -5.188 -19.366 -5.668 1.00 0.00 N ATOM 238 CA THR A 19 -5.841 -19.517 -4.368 1.00 0.00 C ATOM 239 C THR A 19 -5.448 -20.831 -3.704 1.00 0.00 C ATOM 240 O THR A 19 -5.406 -20.927 -2.478 1.00 0.00 O ATOM 241 CB THR A 19 -7.354 -19.457 -4.543 1.00 0.00 C ATOM 242 OG1 THR A 19 -7.679 -18.721 -5.713 1.00 0.00 O ATOM 243 CG2 THR A 19 -8.020 -18.822 -3.326 1.00 0.00 C ATOM 0 H THR A 19 -5.814 -19.081 -6.421 1.00 0.00 H new ATOM 0 HA THR A 19 -5.514 -18.701 -3.724 1.00 0.00 H new ATOM 0 HB THR A 19 -7.727 -20.476 -4.644 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.653 -18.689 -5.819 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.099 -18.791 -3.476 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.794 -19.413 -2.438 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.643 -17.808 -3.193 1.00 0.00 H new ATOM 251 N GLU A 20 -5.183 -21.847 -4.515 1.00 0.00 N ATOM 252 CA GLU A 20 -4.820 -23.161 -4.009 1.00 0.00 C ATOM 253 C GLU A 20 -3.403 -23.189 -3.436 1.00 0.00 C ATOM 254 O GLU A 20 -3.004 -24.182 -2.830 1.00 0.00 O ATOM 255 CB GLU A 20 -4.920 -24.168 -5.141 1.00 0.00 C ATOM 256 CG GLU A 20 -6.339 -24.705 -5.293 1.00 0.00 C ATOM 257 CD GLU A 20 -6.439 -25.582 -6.534 1.00 0.00 C ATOM 258 OE1 GLU A 20 -6.062 -26.769 -6.457 1.00 0.00 O ATOM 259 OE2 GLU A 20 -6.895 -25.079 -7.583 1.00 0.00 O ATOM 0 H GLU A 20 -5.214 -21.783 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.507 -23.411 -3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.606 -23.700 -6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.236 -24.995 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.615 -25.280 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.043 -23.876 -5.367 1.00 0.00 H new ATOM 266 N TYR A 21 -2.626 -22.129 -3.649 1.00 0.00 N ATOM 267 CA TYR A 21 -1.255 -22.101 -3.164 1.00 0.00 C ATOM 268 C TYR A 21 -0.947 -20.846 -2.344 1.00 0.00 C ATOM 269 O TYR A 21 0.150 -20.718 -1.802 1.00 0.00 O ATOM 270 CB TYR A 21 -0.312 -22.170 -4.355 1.00 0.00 C ATOM 271 CG TYR A 21 -0.372 -23.491 -5.082 1.00 0.00 C ATOM 272 CD1 TYR A 21 -0.167 -24.675 -4.395 1.00 0.00 C ATOM 273 CD2 TYR A 21 -0.637 -23.519 -6.441 1.00 0.00 C ATOM 274 CE1 TYR A 21 -0.225 -25.886 -5.068 1.00 0.00 C ATOM 275 CE2 TYR A 21 -0.695 -24.730 -7.111 1.00 0.00 C ATOM 276 CZ TYR A 21 -0.489 -25.907 -6.421 1.00 0.00 C ATOM 277 OH TYR A 21 -0.549 -27.109 -7.089 1.00 0.00 O ATOM 0 H TYR A 21 -2.921 -21.290 -4.148 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.117 -22.958 -2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.556 -21.368 -5.051 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.708 -21.996 -4.013 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.038 -24.656 -3.335 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.798 -22.596 -6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.064 -26.811 -4.534 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.901 -24.753 -8.171 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.745 -26.948 -8.036 1.00 0.00 H new ATOM 287 N ILE A 22 -1.895 -19.916 -2.254 1.00 0.00 N ATOM 288 CA ILE A 22 -1.680 -18.692 -1.503 1.00 0.00 C ATOM 289 C ILE A 22 -1.734 -18.959 0.008 1.00 0.00 C ATOM 290 O ILE A 22 -1.498 -18.053 0.807 1.00 0.00 O ATOM 291 CB ILE A 22 -2.737 -17.656 -1.932 1.00 0.00 C ATOM 292 CG1 ILE A 22 -2.434 -17.099 -3.338 1.00 0.00 C ATOM 293 CG2 ILE A 22 -2.846 -16.516 -0.928 1.00 0.00 C ATOM 294 CD1 ILE A 22 -3.419 -15.979 -3.730 1.00 0.00 C ATOM 0 H ILE A 22 -2.814 -19.990 -2.691 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.687 -18.298 -1.718 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.696 -18.173 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.415 -16.714 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.490 -17.905 -4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.601 -15.806 -1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.131 -16.915 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.884 -16.011 -0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.174 -15.611 -4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.436 -16.372 -3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.344 -15.161 -3.013 1.00 0.00 H new ATOM 306 N GLY A 23 -2.033 -20.196 0.402 1.00 0.00 N ATOM 307 CA GLY A 23 -2.095 -20.544 1.819 1.00 0.00 C ATOM 308 C GLY A 23 -3.426 -21.199 2.162 1.00 0.00 C ATOM 309 O GLY A 23 -4.241 -20.627 2.886 1.00 0.00 O ATOM 0 H GLY A 23 -2.234 -20.967 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.278 -21.221 2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.960 -19.647 2.424 1.00 0.00 H new ATOM 313 N TYR A 24 -3.642 -22.396 1.633 1.00 0.00 N ATOM 314 CA TYR A 24 -4.873 -23.129 1.873 1.00 0.00 C ATOM 315 C TYR A 24 -4.618 -24.319 2.804 1.00 0.00 C ATOM 316 O TYR A 24 -5.290 -24.475 3.824 1.00 0.00 O ATOM 317 CB TYR A 24 -5.458 -23.557 0.520 1.00 0.00 C ATOM 318 CG TYR A 24 -5.319 -25.028 0.203 1.00 0.00 C ATOM 319 CD1 TYR A 24 -6.299 -25.910 0.614 1.00 0.00 C ATOM 320 CD2 TYR A 24 -4.220 -25.490 -0.496 1.00 0.00 C ATOM 321 CE1 TYR A 24 -6.181 -27.260 0.327 1.00 0.00 C ATOM 322 CE2 TYR A 24 -4.101 -26.840 -0.784 1.00 0.00 C ATOM 323 CZ TYR A 24 -5.083 -27.719 -0.372 1.00 0.00 C ATOM 324 OH TYR A 24 -4.965 -29.059 -0.658 1.00 0.00 O ATOM 0 H TYR A 24 -2.975 -22.880 1.032 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.601 -22.495 2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.516 -23.294 0.498 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.971 -22.983 -0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.158 -25.547 1.159 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.455 -24.799 -0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.946 -27.951 0.649 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.243 -27.204 -1.329 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.136 -29.215 -1.156 1.00 0.00 H new ATOM 334 N ALA A 25 -3.644 -25.152 2.446 1.00 0.00 N ATOM 335 CA ALA A 25 -3.299 -26.321 3.248 1.00 0.00 C ATOM 336 C ALA A 25 -2.026 -26.048 4.034 1.00 0.00 C ATOM 337 O ALA A 25 -1.994 -26.191 5.256 1.00 0.00 O ATOM 338 CB ALA A 25 -3.106 -27.540 2.345 1.00 0.00 C ATOM 0 H ALA A 25 -3.079 -25.038 1.604 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.112 -26.526 3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.849 -28.407 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.029 -27.740 1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.302 -27.344 1.636 1.00 0.00 H new ATOM 344 N TRP A 26 -0.977 -25.640 3.327 1.00 0.00 N ATOM 345 CA TRP A 26 0.293 -25.330 3.953 1.00 0.00 C ATOM 346 C TRP A 26 0.085 -24.282 5.040 1.00 0.00 C ATOM 347 O TRP A 26 0.823 -24.235 6.024 1.00 0.00 O ATOM 348 CB TRP A 26 1.257 -24.810 2.897 1.00 0.00 C ATOM 349 CG TRP A 26 2.094 -25.895 2.289 1.00 0.00 C ATOM 350 CD1 TRP A 26 2.107 -26.280 0.975 1.00 0.00 C ATOM 351 CD2 TRP A 26 3.046 -26.742 2.969 1.00 0.00 C ATOM 352 NE1 TRP A 26 3.004 -27.300 0.825 1.00 0.00 N ATOM 353 CE2 TRP A 26 3.592 -27.606 2.013 1.00 0.00 C ATOM 354 CE3 TRP A 26 3.485 -26.849 4.289 1.00 0.00 C ATOM 355 CZ2 TRP A 26 4.547 -28.556 2.339 1.00 0.00 C ATOM 356 CZ3 TRP A 26 4.442 -27.798 4.623 1.00 0.00 C ATOM 357 CH2 TRP A 26 4.968 -28.645 3.655 1.00 0.00 C ATOM 0 H TRP A 26 -0.987 -25.517 2.314 1.00 0.00 H new ATOM 0 HA TRP A 26 0.711 -26.228 4.408 1.00 0.00 H new ATOM 0 HB2 TRP A 26 0.692 -24.310 2.111 1.00 0.00 H new ATOM 0 HB3 TRP A 26 1.910 -24.062 3.345 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.507 -25.849 0.187 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.205 -27.769 -0.058 1.00 0.00 H new ATOM 0 HE3 TRP A 26 3.082 -26.196 5.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 4.954 -29.212 1.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.781 -27.879 5.645 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.711 -29.378 3.931 1.00 0.00 H new ATOM 368 N ALA A 27 -0.935 -23.448 4.853 1.00 0.00 N ATOM 369 CA ALA A 27 -1.261 -22.400 5.813 1.00 0.00 C ATOM 370 C ALA A 27 -1.928 -23.006 7.038 1.00 0.00 C ATOM 371 O ALA A 27 -1.702 -22.561 8.163 1.00 0.00 O ATOM 372 CB ALA A 27 -2.190 -21.376 5.167 1.00 0.00 C ATOM 0 H ALA A 27 -1.552 -23.479 4.041 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.342 -21.902 6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.430 -20.596 5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.697 -20.931 4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.108 -21.869 4.847 1.00 0.00 H new ATOM 378 N MET A 28 -2.743 -24.034 6.816 1.00 0.00 N ATOM 379 CA MET A 28 -3.431 -24.706 7.902 1.00 0.00 C ATOM 380 C MET A 28 -2.415 -25.479 8.728 1.00 0.00 C ATOM 381 O MET A 28 -2.453 -25.466 9.959 1.00 0.00 O ATOM 382 CB MET A 28 -4.486 -25.656 7.326 1.00 0.00 C ATOM 383 CG MET A 28 -5.384 -26.274 8.401 1.00 0.00 C ATOM 384 SD MET A 28 -5.905 -25.103 9.670 1.00 0.00 S ATOM 385 CE MET A 28 -7.605 -25.627 9.936 1.00 0.00 C ATOM 0 H MET A 28 -2.940 -24.416 5.891 1.00 0.00 H new ATOM 0 HA MET A 28 -3.929 -23.976 8.540 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.105 -25.113 6.612 1.00 0.00 H new ATOM 0 HB3 MET A 28 -3.987 -26.453 6.775 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.268 -26.697 7.924 1.00 0.00 H new ATOM 0 HG3 MET A 28 -4.853 -27.099 8.876 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.065 -24.997 10.697 1.00 0.00 H new ATOM 0 HE2 MET A 28 -8.163 -25.538 9.004 1.00 0.00 H new ATOM 0 HE3 MET A 28 -7.618 -26.665 10.269 1.00 0.00 H new ATOM 395 N VAL A 29 -1.487 -26.136 8.033 1.00 0.00 N ATOM 396 CA VAL A 29 -0.435 -26.900 8.691 1.00 0.00 C ATOM 397 C VAL A 29 0.337 -25.979 9.622 1.00 0.00 C ATOM 398 O VAL A 29 0.746 -26.372 10.714 1.00 0.00 O ATOM 399 CB VAL A 29 0.504 -27.502 7.649 1.00 0.00 C ATOM 400 CG1 VAL A 29 1.615 -28.300 8.324 1.00 0.00 C ATOM 401 CG2 VAL A 29 -0.272 -28.385 6.675 1.00 0.00 C ATOM 0 H VAL A 29 -1.445 -26.153 7.014 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.878 -27.712 9.267 1.00 0.00 H new ATOM 0 HB VAL A 29 0.960 -26.687 7.087 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.274 -28.721 7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.189 -27.643 8.978 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.178 -29.107 8.912 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.414 -28.805 5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.756 -29.193 7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.028 -27.788 6.166 1.00 0.00 H new ATOM 411 N VAL A 30 0.512 -24.737 9.180 1.00 0.00 N ATOM 412 CA VAL A 30 1.211 -23.729 9.962 1.00 0.00 C ATOM 413 C VAL A 30 0.433 -23.463 11.244 1.00 0.00 C ATOM 414 O VAL A 30 1.014 -23.277 12.313 1.00 0.00 O ATOM 415 CB VAL A 30 1.362 -22.456 9.122 1.00 0.00 C ATOM 416 CG1 VAL A 30 1.734 -21.248 9.978 1.00 0.00 C ATOM 417 CG2 VAL A 30 2.405 -22.669 8.028 1.00 0.00 C ATOM 0 H VAL A 30 0.175 -24.405 8.276 1.00 0.00 H new ATOM 0 HA VAL A 30 2.207 -24.078 10.234 1.00 0.00 H new ATOM 0 HB VAL A 30 0.395 -22.247 8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.831 -20.368 9.343 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.956 -21.075 10.721 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.682 -21.437 10.482 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.504 -21.758 7.437 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.365 -22.913 8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.092 -23.489 7.381 1.00 0.00 H new ATOM 427 N VAL A 31 -0.889 -23.474 11.127 1.00 0.00 N ATOM 428 CA VAL A 31 -1.763 -23.262 12.271 1.00 0.00 C ATOM 429 C VAL A 31 -1.555 -24.401 13.266 1.00 0.00 C ATOM 430 O VAL A 31 -1.282 -24.178 14.446 1.00 0.00 O ATOM 431 CB VAL A 31 -3.223 -23.170 11.772 1.00 0.00 C ATOM 432 CG1 VAL A 31 -4.158 -24.154 12.480 1.00 0.00 C ATOM 433 CG2 VAL A 31 -3.741 -21.745 11.938 1.00 0.00 C ATOM 0 H VAL A 31 -1.380 -23.628 10.246 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.530 -22.329 12.784 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.216 -23.444 10.717 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.169 -24.042 12.087 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.812 -25.173 12.307 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.160 -23.948 13.550 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.770 -21.689 11.584 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.703 -21.464 12.991 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.120 -21.062 11.358 1.00 0.00 H new ATOM 443 N ILE A 32 -1.686 -25.622 12.765 1.00 0.00 N ATOM 444 CA ILE A 32 -1.516 -26.817 13.575 1.00 0.00 C ATOM 445 C ILE A 32 -0.181 -26.758 14.318 1.00 0.00 C ATOM 446 O ILE A 32 -0.097 -27.123 15.491 1.00 0.00 O ATOM 447 CB ILE A 32 -1.582 -28.047 12.665 1.00 0.00 C ATOM 448 CG1 ILE A 32 -3.009 -28.281 12.179 1.00 0.00 C ATOM 449 CG2 ILE A 32 -1.054 -29.299 13.367 1.00 0.00 C ATOM 450 CD1 ILE A 32 -3.069 -29.443 11.192 1.00 0.00 C ATOM 0 H ILE A 32 -1.912 -25.810 11.788 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.312 -26.881 14.317 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.942 -27.849 11.805 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.657 -28.489 13.030 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.388 -27.376 11.704 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.117 -30.150 12.689 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.015 -29.143 13.657 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.653 -29.498 14.256 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.098 -29.587 10.862 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.439 -29.221 10.330 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.713 -30.352 11.678 1.00 0.00 H new ATOM 462 N VAL A 33 0.863 -26.304 13.626 1.00 0.00 N ATOM 463 CA VAL A 33 2.187 -26.204 14.211 1.00 0.00 C ATOM 464 C VAL A 33 2.140 -25.437 15.528 1.00 0.00 C ATOM 465 O VAL A 33 2.806 -25.807 16.496 1.00 0.00 O ATOM 466 CB VAL A 33 3.121 -25.509 13.226 1.00 0.00 C ATOM 467 CG1 VAL A 33 4.506 -25.340 13.831 1.00 0.00 C ATOM 468 CG2 VAL A 33 3.202 -26.298 11.922 1.00 0.00 C ATOM 0 H VAL A 33 0.810 -25.999 12.654 1.00 0.00 H new ATOM 0 HA VAL A 33 2.560 -27.207 14.420 1.00 0.00 H new ATOM 0 HB VAL A 33 2.718 -24.520 13.009 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.158 -24.842 13.113 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.436 -24.738 14.737 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.917 -26.319 14.077 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.872 -25.789 11.230 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.582 -27.299 12.125 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.209 -26.370 11.478 1.00 0.00 H new ATOM 478 N GLY A 34 1.351 -24.368 15.559 1.00 0.00 N ATOM 479 CA GLY A 34 1.218 -23.546 16.759 1.00 0.00 C ATOM 480 C GLY A 34 0.844 -24.398 17.965 1.00 0.00 C ATOM 481 O GLY A 34 1.338 -24.174 19.070 1.00 0.00 O ATOM 0 H GLY A 34 0.793 -24.049 14.767 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.156 -23.026 16.954 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.457 -22.782 16.599 1.00 0.00 H new ATOM 485 N ALA A 35 -0.034 -25.371 17.748 1.00 0.00 N ATOM 486 CA ALA A 35 -0.480 -26.255 18.821 1.00 0.00 C ATOM 487 C ALA A 35 0.611 -27.258 19.180 1.00 0.00 C ATOM 488 O ALA A 35 0.808 -27.583 20.351 1.00 0.00 O ATOM 489 CB ALA A 35 -1.744 -26.994 18.394 1.00 0.00 C ATOM 0 H ALA A 35 -0.452 -25.568 16.839 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.697 -25.649 19.701 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.071 -27.652 19.200 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.530 -26.272 18.173 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.535 -27.587 17.504 1.00 0.00 H new ATOM 495 N THR A 36 1.313 -27.751 18.165 1.00 0.00 N ATOM 496 CA THR A 36 2.382 -28.724 18.372 1.00 0.00 C ATOM 497 C THR A 36 3.590 -28.067 19.030 1.00 0.00 C ATOM 498 O THR A 36 4.183 -28.624 19.954 1.00 0.00 O ATOM 499 CB THR A 36 2.790 -29.338 17.035 1.00 0.00 C ATOM 500 OG1 THR A 36 1.638 -29.780 16.332 1.00 0.00 O ATOM 501 CG2 THR A 36 3.754 -30.503 17.246 1.00 0.00 C ATOM 0 H THR A 36 1.161 -27.493 17.190 1.00 0.00 H new ATOM 0 HA THR A 36 2.012 -29.508 19.033 1.00 0.00 H new ATOM 0 HB THR A 36 3.298 -28.575 16.446 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.908 -30.171 15.475 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.031 -30.925 16.280 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.649 -30.147 17.757 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.271 -31.270 17.852 1.00 0.00 H new ATOM 509 N ILE A 37 3.954 -26.883 18.548 1.00 0.00 N ATOM 510 CA ILE A 37 5.094 -26.150 19.083 1.00 0.00 C ATOM 511 C ILE A 37 4.926 -25.909 20.581 1.00 0.00 C ATOM 512 O ILE A 37 5.867 -26.078 21.357 1.00 0.00 O ATOM 513 CB ILE A 37 5.232 -24.840 18.330 1.00 0.00 C ATOM 514 CG1 ILE A 37 5.605 -25.145 16.880 1.00 0.00 C ATOM 515 CG2 ILE A 37 6.246 -23.902 18.997 1.00 0.00 C ATOM 516 CD1 ILE A 37 7.102 -25.333 16.705 1.00 0.00 C ATOM 0 H ILE A 37 3.472 -26.409 17.784 1.00 0.00 H new ATOM 0 HA ILE A 37 6.002 -26.737 18.949 1.00 0.00 H new ATOM 0 HB ILE A 37 4.279 -24.312 18.351 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.086 -26.046 16.554 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.264 -24.332 16.239 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.315 -22.976 18.427 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.922 -23.679 20.013 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.223 -24.384 19.026 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.322 -25.548 15.659 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.621 -24.422 17.005 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.439 -26.164 17.325 1.00 0.00 H new ATOM 528 N GLY A 38 3.721 -25.515 20.980 1.00 0.00 N ATOM 529 CA GLY A 38 3.425 -25.249 22.385 1.00 0.00 C ATOM 530 C GLY A 38 3.729 -26.468 23.243 1.00 0.00 C ATOM 531 O GLY A 38 4.462 -26.379 24.227 1.00 0.00 O ATOM 0 H GLY A 38 2.932 -25.372 20.350 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.014 -24.400 22.731 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.376 -24.975 22.494 1.00 0.00 H new ATOM 535 N ILE A 39 3.161 -27.610 22.866 1.00 0.00 N ATOM 536 CA ILE A 39 3.373 -28.850 23.606 1.00 0.00 C ATOM 537 C ILE A 39 4.865 -29.102 23.798 1.00 0.00 C ATOM 538 O ILE A 39 5.276 -29.758 24.754 1.00 0.00 O ATOM 539 CB ILE A 39 2.733 -30.021 22.861 1.00 0.00 C ATOM 540 CG1 ILE A 39 1.226 -29.809 22.733 1.00 0.00 C ATOM 541 CG2 ILE A 39 3.021 -31.341 23.578 1.00 0.00 C ATOM 542 CD1 ILE A 39 0.568 -30.964 21.984 1.00 0.00 C ATOM 0 H ILE A 39 2.551 -27.702 22.054 1.00 0.00 H new ATOM 0 HA ILE A 39 2.906 -28.758 24.586 1.00 0.00 H new ATOM 0 HB ILE A 39 3.168 -30.069 21.863 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.784 -29.716 23.725 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.031 -28.874 22.208 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.556 -32.161 23.031 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.098 -31.501 23.626 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.614 -31.302 24.589 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.505 -30.785 21.909 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.995 -31.039 20.984 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.743 -31.895 22.524 1.00 0.00 H new ATOM 554 N LYS A 40 5.672 -28.575 22.883 1.00 0.00 N ATOM 555 CA LYS A 40 7.121 -28.741 22.951 1.00 0.00 C ATOM 556 C LYS A 40 7.732 -27.697 23.879 1.00 0.00 C ATOM 557 O LYS A 40 8.260 -28.030 24.939 1.00 0.00 O ATOM 558 CB LYS A 40 7.723 -28.614 21.554 1.00 0.00 C ATOM 559 CG LYS A 40 9.232 -28.842 21.578 1.00 0.00 C ATOM 560 CD LYS A 40 9.878 -28.402 20.267 1.00 0.00 C ATOM 561 CE LYS A 40 9.988 -26.883 20.190 1.00 0.00 C ATOM 562 NZ LYS A 40 10.824 -26.459 19.031 1.00 0.00 N ATOM 0 H LYS A 40 5.348 -28.029 22.085 1.00 0.00 H new ATOM 0 HA LYS A 40 7.343 -29.732 23.348 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.254 -29.337 20.887 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.509 -27.624 21.152 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.673 -28.289 22.407 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.440 -29.898 21.753 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.870 -28.846 20.180 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.289 -28.770 19.427 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.992 -26.448 20.102 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.422 -26.500 21.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.880 -25.421 19.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.780 -26.855 19.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.395 -26.805 18.149 1.00 0.00 H new ATOM 576 N LEU A 41 7.659 -26.433 23.471 1.00 0.00 N ATOM 577 CA LEU A 41 8.210 -25.334 24.265 1.00 0.00 C ATOM 578 C LEU A 41 7.766 -25.439 25.717 1.00 0.00 C ATOM 579 O LEU A 41 8.551 -25.217 26.637 1.00 0.00 O ATOM 580 CB LEU A 41 7.772 -23.985 23.682 1.00 0.00 C ATOM 581 CG LEU A 41 6.261 -23.916 23.483 1.00 0.00 C ATOM 582 CD1 LEU A 41 5.562 -23.431 24.752 1.00 0.00 C ATOM 583 CD2 LEU A 41 5.927 -22.998 22.310 1.00 0.00 C ATOM 0 H LEU A 41 7.224 -26.142 22.595 1.00 0.00 H new ATOM 0 HA LEU A 41 9.297 -25.402 24.229 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.088 -23.182 24.348 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.272 -23.822 22.727 1.00 0.00 H new ATOM 0 HG LEU A 41 5.900 -24.920 23.262 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.486 -23.391 24.582 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.775 -24.119 25.570 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.926 -22.436 25.010 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.846 -22.956 22.177 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.307 -21.996 22.512 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.390 -23.385 21.402 1.00 0.00 H new ATOM 595 N PHE A 42 6.502 -25.771 25.912 1.00 0.00 N ATOM 596 CA PHE A 42 5.924 -25.906 27.253 1.00 0.00 C ATOM 597 C PHE A 42 6.879 -26.630 28.196 1.00 0.00 C ATOM 598 O PHE A 42 6.951 -26.316 29.384 1.00 0.00 O ATOM 599 CB PHE A 42 4.611 -26.676 27.176 1.00 0.00 C ATOM 600 CG PHE A 42 3.798 -26.571 28.443 1.00 0.00 C ATOM 601 CD1 PHE A 42 3.976 -27.497 29.458 1.00 0.00 C ATOM 602 CD2 PHE A 42 2.875 -25.549 28.593 1.00 0.00 C ATOM 603 CE1 PHE A 42 3.231 -27.402 30.621 1.00 0.00 C ATOM 604 CE2 PHE A 42 2.130 -25.455 29.756 1.00 0.00 C ATOM 605 CZ PHE A 42 2.308 -26.380 30.770 1.00 0.00 C ATOM 0 H PHE A 42 5.844 -25.955 25.155 1.00 0.00 H new ATOM 0 HA PHE A 42 5.745 -24.904 27.644 1.00 0.00 H new ATOM 0 HB2 PHE A 42 4.022 -26.299 26.339 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.822 -27.726 26.971 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.696 -28.293 29.342 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.737 -24.826 27.803 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.369 -28.124 31.412 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.409 -24.659 29.872 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.727 -26.305 31.677 1.00 0.00 H new ATOM 615 N LYS A 43 7.602 -27.605 27.661 1.00 0.00 N ATOM 616 CA LYS A 43 8.544 -28.383 28.450 1.00 0.00 C ATOM 617 C LYS A 43 9.892 -27.652 28.545 1.00 0.00 C ATOM 618 O LYS A 43 10.590 -27.761 29.553 1.00 0.00 O ATOM 619 CB LYS A 43 8.674 -29.788 27.830 1.00 0.00 C ATOM 620 CG LYS A 43 10.091 -30.329 27.895 1.00 0.00 C ATOM 621 CD LYS A 43 10.096 -31.851 27.921 1.00 0.00 C ATOM 622 CE LYS A 43 9.830 -32.435 26.535 1.00 0.00 C ATOM 623 NZ LYS A 43 11.033 -33.139 26.002 1.00 0.00 N ATOM 0 H LYS A 43 7.552 -27.876 26.679 1.00 0.00 H new ATOM 0 HA LYS A 43 8.181 -28.498 29.471 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.004 -30.473 28.349 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.350 -29.753 26.790 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.658 -29.975 27.034 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.590 -29.945 28.785 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.059 -32.207 28.288 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.338 -32.207 28.619 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.992 -33.130 26.586 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.541 -31.637 25.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.821 -33.524 25.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.825 -32.468 25.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.293 -33.916 26.643 1.00 0.00 H new ATOM 637 N LYS A 44 10.255 -26.917 27.499 1.00 0.00 N ATOM 638 CA LYS A 44 11.519 -26.186 27.487 1.00 0.00 C ATOM 639 C LYS A 44 11.406 -24.906 28.304 1.00 0.00 C ATOM 640 O LYS A 44 12.370 -24.467 28.928 1.00 0.00 O ATOM 641 CB LYS A 44 11.913 -25.853 26.053 1.00 0.00 C ATOM 642 CG LYS A 44 12.885 -26.896 25.490 1.00 0.00 C ATOM 643 CD LYS A 44 14.012 -26.223 24.689 1.00 0.00 C ATOM 644 CE LYS A 44 15.223 -25.908 25.579 1.00 0.00 C ATOM 645 NZ LYS A 44 14.797 -25.450 26.932 1.00 0.00 N ATOM 0 H LYS A 44 9.696 -26.811 26.652 1.00 0.00 H new ATOM 0 HA LYS A 44 12.288 -26.816 27.934 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.021 -25.809 25.429 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.375 -24.866 26.019 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.312 -27.478 26.306 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.345 -27.593 24.849 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.319 -26.876 23.872 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.640 -25.302 24.239 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.848 -26.796 25.674 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.833 -25.138 25.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.624 -25.101 27.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.100 -24.684 26.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.369 -26.245 27.449 1.00 0.00 H new ATOM 659 N PHE A 45 10.222 -24.310 28.289 1.00 0.00 N ATOM 660 CA PHE A 45 9.971 -23.071 29.023 1.00 0.00 C ATOM 661 C PHE A 45 10.118 -23.294 30.524 1.00 0.00 C ATOM 662 O PHE A 45 10.363 -22.352 31.278 1.00 0.00 O ATOM 663 CB PHE A 45 8.569 -22.554 28.714 1.00 0.00 C ATOM 664 CG PHE A 45 8.279 -21.226 29.365 1.00 0.00 C ATOM 665 CD1 PHE A 45 8.923 -20.081 28.926 1.00 0.00 C ATOM 666 CD2 PHE A 45 7.365 -21.149 30.404 1.00 0.00 C ATOM 667 CE1 PHE A 45 8.654 -18.862 29.525 1.00 0.00 C ATOM 668 CE2 PHE A 45 7.097 -19.931 31.003 1.00 0.00 C ATOM 669 CZ PHE A 45 7.741 -18.787 30.564 1.00 0.00 C ATOM 0 H PHE A 45 9.415 -24.664 27.775 1.00 0.00 H new ATOM 0 HA PHE A 45 10.706 -22.331 28.707 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.452 -22.457 27.635 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.835 -23.286 29.050 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.635 -20.139 28.116 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.861 -22.041 30.746 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.156 -17.969 29.182 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.385 -19.873 31.813 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.532 -17.836 31.031 1.00 0.00 H new ATOM 679 N THR A 46 9.966 -24.543 30.956 1.00 0.00 N ATOM 680 CA THR A 46 10.080 -24.882 32.368 1.00 0.00 C ATOM 681 C THR A 46 11.496 -25.344 32.694 1.00 0.00 C ATOM 682 O THR A 46 11.693 -26.220 33.537 1.00 0.00 O ATOM 683 CB THR A 46 9.077 -25.976 32.725 1.00 0.00 C ATOM 684 OG1 THR A 46 8.960 -26.898 31.652 1.00 0.00 O ATOM 685 CG2 THR A 46 7.714 -25.374 33.047 1.00 0.00 C ATOM 0 H THR A 46 9.764 -25.336 30.347 1.00 0.00 H new ATOM 0 HA THR A 46 9.861 -23.992 32.958 1.00 0.00 H new ATOM 0 HB THR A 46 9.440 -26.501 33.609 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.263 -26.594 31.034 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.014 -26.171 33.299 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.808 -24.693 33.893 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.344 -24.827 32.180 1.00 0.00 H new ATOM 693 N SER A 47 12.479 -24.751 32.024 1.00 0.00 N ATOM 694 CA SER A 47 13.878 -25.100 32.244 1.00 0.00 C ATOM 695 C SER A 47 14.784 -23.941 31.840 1.00 0.00 C ATOM 696 O SER A 47 15.402 -23.306 32.694 1.00 0.00 O ATOM 697 CB SER A 47 14.236 -26.349 31.443 1.00 0.00 C ATOM 698 OG SER A 47 14.109 -27.509 32.255 1.00 0.00 O ATOM 0 H SER A 47 12.332 -24.025 31.323 1.00 0.00 H new ATOM 0 HA SER A 47 14.025 -25.304 33.305 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.583 -26.432 30.574 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.256 -26.269 31.068 1.00 0.00 H new ATOM 0 HG SER A 47 13.330 -27.414 32.842 1.00 0.00 H new ATOM 704 N LYS A 48 14.841 -23.666 30.532 1.00 0.00 N ATOM 705 CA LYS A 48 15.653 -22.579 29.976 1.00 0.00 C ATOM 706 C LYS A 48 16.930 -22.345 30.783 1.00 0.00 C ATOM 707 O LYS A 48 17.117 -21.278 31.369 1.00 0.00 O ATOM 708 CB LYS A 48 14.819 -21.307 29.936 1.00 0.00 C ATOM 709 CG LYS A 48 13.620 -21.460 29.003 1.00 0.00 C ATOM 710 CD LYS A 48 14.040 -21.382 27.537 1.00 0.00 C ATOM 711 CE LYS A 48 12.979 -20.703 26.666 1.00 0.00 C ATOM 712 NZ LYS A 48 12.371 -19.530 27.356 1.00 0.00 N ATOM 0 H LYS A 48 14.324 -24.193 29.828 1.00 0.00 H new ATOM 0 HA LYS A 48 15.958 -22.862 28.969 1.00 0.00 H new ATOM 0 HB2 LYS A 48 14.472 -21.065 30.941 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.438 -20.474 29.603 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.130 -22.415 29.192 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.890 -20.679 29.216 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.978 -20.832 27.458 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.227 -22.388 27.161 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.430 -20.380 25.728 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.199 -21.422 26.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.032 -18.848 26.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.572 -19.847 27.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.084 -19.075 27.961 1.00 0.00 H new ATOM 726 N ALA A 49 17.802 -23.347 30.810 1.00 0.00 N ATOM 727 CA ALA A 49 19.057 -23.254 31.542 1.00 0.00 C ATOM 728 C ALA A 49 19.862 -22.049 31.072 1.00 0.00 C ATOM 729 O ALA A 49 20.198 -21.937 29.892 1.00 0.00 O ATOM 730 CB ALA A 49 19.857 -24.531 31.329 1.00 0.00 C ATOM 0 H ALA A 49 17.660 -24.236 30.331 1.00 0.00 H new ATOM 0 HA ALA A 49 18.843 -23.129 32.603 1.00 0.00 H new ATOM 0 HB1 ALA A 49 20.798 -24.466 31.875 1.00 0.00 H new ATOM 0 HB2 ALA A 49 19.284 -25.384 31.693 1.00 0.00 H new ATOM 0 HB3 ALA A 49 20.063 -24.659 30.266 1.00 0.00 H new ATOM 736 N SER A 50 20.171 -21.149 31.999 1.00 0.00 N ATOM 737 CA SER A 50 20.938 -19.952 31.678 1.00 0.00 C ATOM 738 C SER A 50 20.287 -19.197 30.526 1.00 0.00 C ATOM 739 O SER A 50 21.011 -18.800 29.589 1.00 0.00 O ATOM 740 CB SER A 50 22.368 -20.335 31.309 1.00 0.00 C ATOM 741 OG SER A 50 23.261 -19.279 31.635 1.00 0.00 O ATOM 742 OXT SER A 50 19.054 -19.004 30.563 1.00 0.00 O ATOM 0 H SER A 50 19.902 -21.226 32.980 1.00 0.00 H new ATOM 0 HA SER A 50 20.956 -19.303 32.553 1.00 0.00 H new ATOM 0 HB2 SER A 50 22.657 -21.242 31.840 1.00 0.00 H new ATOM 0 HB3 SER A 50 22.429 -20.556 30.243 1.00 0.00 H new ATOM 0 HG SER A 50 24.175 -19.538 31.395 1.00 0.00 H new TER 748 SER A 50