USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 280 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 33 THR OG1 : rot -178:sc= 1.05 USER MOD Set 1.2: A 38 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 27 THR OG1 : rot 180:sc= -0.16 USER MOD Set 2.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 51:sc= 0.675 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.01 K(o=-1,f=-4.2!) USER MOD Single : A 14 SER OG : rot 39:sc= 0.225 USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0872 USER MOD Single : A 17 SER OG : rot 180:sc= 0.244 USER MOD Single : A 19 GLN : amide:sc= 0.0579 X(o=0.058,f=-0.011) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.386 K(o=0.39,f=-7.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 30 ASN : amide:sc= -3.61 K(o=-3.6,f=-4.1!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.788 -10.457 -16.745 1.00 0.00 N ATOM 2 CA GLY A 1 6.695 -10.147 -17.649 1.00 0.00 C ATOM 3 C GLY A 1 5.365 -10.029 -16.931 1.00 0.00 C ATOM 4 O GLY A 1 4.425 -10.767 -17.227 1.00 0.00 O ATOM 0 H1 GLY A 1 8.675 -10.527 -17.284 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.874 -9.704 -16.033 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.599 -11.363 -16.270 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.909 -9.212 -18.166 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.626 -10.924 -18.410 1.00 0.00 H new ATOM 8 N SER A 2 5.286 -9.100 -15.984 1.00 0.00 N ATOM 9 CA SER A 2 4.063 -8.892 -15.218 1.00 0.00 C ATOM 10 C SER A 2 3.171 -7.853 -15.891 1.00 0.00 C ATOM 11 O SER A 2 3.355 -6.650 -15.709 1.00 0.00 O ATOM 12 CB SER A 2 4.397 -8.447 -13.793 1.00 0.00 C ATOM 13 OG SER A 2 4.815 -9.546 -13.001 1.00 0.00 O ATOM 0 H SER A 2 6.054 -8.479 -15.729 1.00 0.00 H new ATOM 0 HA SER A 2 3.524 -9.838 -15.178 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.184 -7.693 -13.819 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.523 -7.980 -13.340 1.00 0.00 H new ATOM 0 HG SER A 2 5.024 -9.236 -12.095 1.00 0.00 H new ATOM 19 N SER A 3 2.203 -8.328 -16.669 1.00 0.00 N ATOM 20 CA SER A 3 1.284 -7.441 -17.373 1.00 0.00 C ATOM 21 C SER A 3 0.178 -6.956 -16.442 1.00 0.00 C ATOM 22 O SER A 3 -1.001 -6.978 -16.794 1.00 0.00 O ATOM 23 CB SER A 3 0.673 -8.158 -18.579 1.00 0.00 C ATOM 24 OG SER A 3 1.586 -8.205 -19.661 1.00 0.00 O ATOM 0 H SER A 3 2.035 -9.322 -16.828 1.00 0.00 H new ATOM 0 HA SER A 3 1.848 -6.576 -17.721 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.386 -9.171 -18.297 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.237 -7.644 -18.889 1.00 0.00 H new ATOM 0 HG SER A 3 1.172 -8.670 -20.418 1.00 0.00 H new ATOM 30 N GLY A 4 0.567 -6.516 -15.249 1.00 0.00 N ATOM 31 CA GLY A 4 -0.402 -6.031 -14.284 1.00 0.00 C ATOM 32 C GLY A 4 0.135 -6.041 -12.867 1.00 0.00 C ATOM 33 O GLY A 4 -0.212 -6.912 -12.070 1.00 0.00 O ATOM 0 H GLY A 4 1.537 -6.487 -14.934 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.698 -5.016 -14.550 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.299 -6.648 -14.333 1.00 0.00 H new ATOM 37 N SER A 5 0.987 -5.070 -12.552 1.00 0.00 N ATOM 38 CA SER A 5 1.578 -4.974 -11.222 1.00 0.00 C ATOM 39 C SER A 5 1.320 -3.600 -10.611 1.00 0.00 C ATOM 40 O SER A 5 2.123 -2.680 -10.762 1.00 0.00 O ATOM 41 CB SER A 5 3.084 -5.239 -11.290 1.00 0.00 C ATOM 42 OG SER A 5 3.721 -4.337 -12.178 1.00 0.00 O ATOM 0 H SER A 5 1.283 -4.339 -13.199 1.00 0.00 H new ATOM 0 HA SER A 5 1.111 -5.728 -10.588 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.519 -5.143 -10.295 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.262 -6.263 -11.618 1.00 0.00 H new ATOM 0 HG SER A 5 3.456 -3.419 -11.958 1.00 0.00 H new ATOM 48 N SER A 6 0.192 -3.469 -9.920 1.00 0.00 N ATOM 49 CA SER A 6 -0.176 -2.208 -9.289 1.00 0.00 C ATOM 50 C SER A 6 0.049 -2.269 -7.781 1.00 0.00 C ATOM 51 O SER A 6 -0.865 -2.577 -7.017 1.00 0.00 O ATOM 52 CB SER A 6 -1.640 -1.873 -9.584 1.00 0.00 C ATOM 53 OG SER A 6 -1.976 -0.584 -9.100 1.00 0.00 O ATOM 0 H SER A 6 -0.483 -4.222 -9.783 1.00 0.00 H new ATOM 0 HA SER A 6 0.459 -1.425 -9.703 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.817 -1.919 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.287 -2.618 -9.122 1.00 0.00 H new ATOM 0 HG SER A 6 -2.916 -0.393 -9.302 1.00 0.00 H new ATOM 59 N GLY A 7 1.275 -1.972 -7.359 1.00 0.00 N ATOM 60 CA GLY A 7 1.600 -1.999 -5.945 1.00 0.00 C ATOM 61 C GLY A 7 2.669 -0.990 -5.577 1.00 0.00 C ATOM 62 O GLY A 7 3.721 -0.927 -6.215 1.00 0.00 O ATOM 0 H GLY A 7 2.049 -1.713 -7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.700 -1.798 -5.364 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.939 -2.998 -5.672 1.00 0.00 H new ATOM 66 N LEU A 8 2.401 -0.196 -4.546 1.00 0.00 N ATOM 67 CA LEU A 8 3.348 0.817 -4.094 1.00 0.00 C ATOM 68 C LEU A 8 4.560 0.172 -3.429 1.00 0.00 C ATOM 69 O LEU A 8 4.482 -0.920 -2.866 1.00 0.00 O ATOM 70 CB LEU A 8 2.669 1.780 -3.118 1.00 0.00 C ATOM 71 CG LEU A 8 1.241 2.198 -3.472 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.725 3.228 -2.479 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.182 2.746 -4.890 1.00 0.00 C ATOM 0 H LEU A 8 1.536 -0.234 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 8 3.689 1.374 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.657 1.317 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.281 2.679 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 8 0.601 1.318 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.292 3.514 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.730 2.801 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.367 4.109 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.159 3.038 -5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.835 3.615 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.510 1.978 -5.591 1.00 0.00 H new ATOM 85 N PRO A 9 5.708 0.863 -3.493 1.00 0.00 N ATOM 86 CA PRO A 9 6.958 0.378 -2.900 1.00 0.00 C ATOM 87 C PRO A 9 6.920 0.391 -1.376 1.00 0.00 C ATOM 88 O PRO A 9 6.155 1.131 -0.757 1.00 0.00 O ATOM 89 CB PRO A 9 8.004 1.368 -3.419 1.00 0.00 C ATOM 90 CG PRO A 9 7.239 2.615 -3.699 1.00 0.00 C ATOM 91 CD PRO A 9 5.874 2.171 -4.148 1.00 0.00 C ATOM 0 HA PRO A 9 7.162 -0.658 -3.169 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.786 1.541 -2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.492 0.993 -4.318 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.173 3.240 -2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.730 3.209 -4.470 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.101 2.875 -3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.815 2.087 -5.233 1.00 0.00 H new ATOM 99 N PRO A 10 7.766 -0.444 -0.755 1.00 0.00 N ATOM 100 CA PRO A 10 7.848 -0.546 0.705 1.00 0.00 C ATOM 101 C PRO A 10 8.459 0.700 1.339 1.00 0.00 C ATOM 102 O PRO A 10 9.678 0.817 1.452 1.00 0.00 O ATOM 103 CB PRO A 10 8.757 -1.758 0.925 1.00 0.00 C ATOM 104 CG PRO A 10 9.584 -1.841 -0.311 1.00 0.00 C ATOM 105 CD PRO A 10 8.706 -1.354 -1.430 1.00 0.00 C ATOM 0 HA PRO A 10 6.864 -0.645 1.163 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.380 -1.630 1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 10 8.175 -2.668 1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.480 -1.227 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.915 -2.864 -0.491 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.283 -0.839 -2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.186 -2.177 -1.920 1.00 0.00 H new ATOM 113 N GLY A 11 7.602 1.628 1.753 1.00 0.00 N ATOM 114 CA GLY A 11 8.076 2.853 2.371 1.00 0.00 C ATOM 115 C GLY A 11 7.071 3.983 2.265 1.00 0.00 C ATOM 116 O GLY A 11 7.045 4.880 3.107 1.00 0.00 O ATOM 0 H GLY A 11 6.588 1.554 1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.296 2.664 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.010 3.156 1.899 1.00 0.00 H new ATOM 120 N TRP A 12 6.243 3.940 1.227 1.00 0.00 N ATOM 121 CA TRP A 12 5.233 4.970 1.013 1.00 0.00 C ATOM 122 C TRP A 12 3.949 4.638 1.766 1.00 0.00 C ATOM 123 O TRP A 12 3.533 3.481 1.819 1.00 0.00 O ATOM 124 CB TRP A 12 4.938 5.122 -0.480 1.00 0.00 C ATOM 125 CG TRP A 12 5.938 5.978 -1.199 1.00 0.00 C ATOM 126 CD1 TRP A 12 7.185 5.607 -1.614 1.00 0.00 C ATOM 127 CD2 TRP A 12 5.774 7.347 -1.584 1.00 0.00 C ATOM 128 NE1 TRP A 12 7.807 6.664 -2.234 1.00 0.00 N ATOM 129 CE2 TRP A 12 6.962 7.742 -2.230 1.00 0.00 C ATOM 130 CE3 TRP A 12 4.740 8.276 -1.448 1.00 0.00 C ATOM 131 CZ2 TRP A 12 7.141 9.027 -2.736 1.00 0.00 C ATOM 132 CZ3 TRP A 12 4.919 9.551 -1.951 1.00 0.00 C ATOM 133 CH2 TRP A 12 6.112 9.917 -2.589 1.00 0.00 C ATOM 0 H TRP A 12 6.251 3.204 0.521 1.00 0.00 H new ATOM 0 HA TRP A 12 5.624 5.912 1.397 1.00 0.00 H new ATOM 0 HB2 TRP A 12 4.917 4.135 -0.941 1.00 0.00 H new ATOM 0 HB3 TRP A 12 3.945 5.553 -0.605 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.618 4.628 -1.475 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.746 6.648 -2.633 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.817 8.003 -0.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.060 9.311 -3.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.126 10.277 -1.851 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.221 10.921 -2.972 1.00 0.00 H new ATOM 144 N GLN A 13 3.327 5.659 2.345 1.00 0.00 N ATOM 145 CA GLN A 13 2.090 5.473 3.095 1.00 0.00 C ATOM 146 C GLN A 13 0.885 5.933 2.281 1.00 0.00 C ATOM 147 O GLN A 13 0.975 6.884 1.504 1.00 0.00 O ATOM 148 CB GLN A 13 2.150 6.241 4.417 1.00 0.00 C ATOM 149 CG GLN A 13 3.197 5.709 5.382 1.00 0.00 C ATOM 150 CD GLN A 13 2.842 4.343 5.934 1.00 0.00 C ATOM 151 OE1 GLN A 13 2.617 3.396 5.180 1.00 0.00 O ATOM 152 NE2 GLN A 13 2.790 4.233 7.256 1.00 0.00 N ATOM 0 H GLN A 13 3.658 6.623 2.310 1.00 0.00 H new ATOM 0 HA GLN A 13 1.979 4.409 3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.359 7.290 4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.172 6.200 4.896 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.159 5.652 4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.314 6.411 6.208 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.984 5.044 7.843 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.556 3.337 7.684 1.00 0.00 H new ATOM 161 N SER A 14 -0.241 5.251 2.463 1.00 0.00 N ATOM 162 CA SER A 14 -1.463 5.586 1.742 1.00 0.00 C ATOM 163 C SER A 14 -2.492 6.213 2.678 1.00 0.00 C ATOM 164 O SER A 14 -2.977 5.568 3.607 1.00 0.00 O ATOM 165 CB SER A 14 -2.051 4.337 1.083 1.00 0.00 C ATOM 166 OG SER A 14 -2.170 3.277 2.016 1.00 0.00 O ATOM 0 H SER A 14 -0.332 4.463 3.104 1.00 0.00 H new ATOM 0 HA SER A 14 -1.211 6.312 0.969 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.030 4.569 0.665 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.416 4.026 0.254 1.00 0.00 H new ATOM 0 HG SER A 14 -2.459 3.634 2.882 1.00 0.00 H new ATOM 172 N TYR A 15 -2.819 7.476 2.427 1.00 0.00 N ATOM 173 CA TYR A 15 -3.788 8.192 3.248 1.00 0.00 C ATOM 174 C TYR A 15 -4.986 8.637 2.414 1.00 0.00 C ATOM 175 O TYR A 15 -5.028 8.422 1.202 1.00 0.00 O ATOM 176 CB TYR A 15 -3.131 9.407 3.905 1.00 0.00 C ATOM 177 CG TYR A 15 -1.862 9.077 4.658 1.00 0.00 C ATOM 178 CD1 TYR A 15 -1.886 8.240 5.766 1.00 0.00 C ATOM 179 CD2 TYR A 15 -0.638 9.601 4.259 1.00 0.00 C ATOM 180 CE1 TYR A 15 -0.730 7.936 6.457 1.00 0.00 C ATOM 181 CE2 TYR A 15 0.524 9.301 4.943 1.00 0.00 C ATOM 182 CZ TYR A 15 0.473 8.468 6.042 1.00 0.00 C ATOM 183 OH TYR A 15 1.628 8.167 6.727 1.00 0.00 O ATOM 0 H TYR A 15 -2.427 8.025 1.662 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.141 7.513 4.024 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.906 10.147 3.137 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.842 9.867 4.592 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.826 7.819 6.093 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.595 10.254 3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.768 7.285 7.318 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.467 9.716 4.619 1.00 0.00 H new ATOM 0 HH TYR A 15 2.387 8.621 6.305 1.00 0.00 H new ATOM 193 N LEU A 16 -5.958 9.258 3.072 1.00 0.00 N ATOM 194 CA LEU A 16 -7.158 9.735 2.393 1.00 0.00 C ATOM 195 C LEU A 16 -7.400 11.212 2.688 1.00 0.00 C ATOM 196 O LEU A 16 -7.244 11.662 3.823 1.00 0.00 O ATOM 197 CB LEU A 16 -8.373 8.911 2.825 1.00 0.00 C ATOM 198 CG LEU A 16 -8.398 7.456 2.355 1.00 0.00 C ATOM 199 CD1 LEU A 16 -9.640 6.749 2.876 1.00 0.00 C ATOM 200 CD2 LEU A 16 -8.338 7.384 0.837 1.00 0.00 C ATOM 0 H LEU A 16 -5.939 9.443 4.075 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.010 9.618 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.426 8.921 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.272 9.406 2.458 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.521 6.949 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.641 5.715 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.640 6.769 3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.530 7.256 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.357 6.341 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.196 7.907 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.418 7.853 0.487 1.00 0.00 H new ATOM 212 N SER A 17 -7.785 11.960 1.659 1.00 0.00 N ATOM 213 CA SER A 17 -8.047 13.386 1.807 1.00 0.00 C ATOM 214 C SER A 17 -9.258 13.626 2.704 1.00 0.00 C ATOM 215 O SER A 17 -10.107 12.754 2.890 1.00 0.00 O ATOM 216 CB SER A 17 -8.278 14.029 0.437 1.00 0.00 C ATOM 217 OG SER A 17 -9.652 14.014 0.092 1.00 0.00 O ATOM 0 H SER A 17 -7.922 11.602 0.714 1.00 0.00 H new ATOM 0 HA SER A 17 -7.175 13.844 2.273 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.914 15.056 0.448 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.704 13.495 -0.320 1.00 0.00 H new ATOM 0 HG SER A 17 -9.773 14.432 -0.786 1.00 0.00 H new ATOM 223 N PRO A 18 -9.341 14.837 3.273 1.00 0.00 N ATOM 224 CA PRO A 18 -10.443 15.221 4.160 1.00 0.00 C ATOM 225 C PRO A 18 -11.763 15.375 3.411 1.00 0.00 C ATOM 226 O PRO A 18 -12.755 15.835 3.975 1.00 0.00 O ATOM 227 CB PRO A 18 -9.990 16.569 4.726 1.00 0.00 C ATOM 228 CG PRO A 18 -9.056 17.115 3.702 1.00 0.00 C ATOM 229 CD PRO A 18 -8.365 15.926 3.095 1.00 0.00 C ATOM 0 HA PRO A 18 -10.634 14.466 4.922 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.837 17.236 4.885 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.494 16.448 5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.596 17.681 2.944 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.335 17.796 4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.133 16.090 2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.423 15.708 3.599 1.00 0.00 H new ATOM 237 N GLN A 19 -11.766 14.986 2.140 1.00 0.00 N ATOM 238 CA GLN A 19 -12.964 15.082 1.316 1.00 0.00 C ATOM 239 C GLN A 19 -13.456 13.697 0.908 1.00 0.00 C ATOM 240 O GLN A 19 -14.641 13.502 0.642 1.00 0.00 O ATOM 241 CB GLN A 19 -12.686 15.924 0.070 1.00 0.00 C ATOM 242 CG GLN A 19 -13.892 16.078 -0.843 1.00 0.00 C ATOM 243 CD GLN A 19 -14.984 16.931 -0.228 1.00 0.00 C ATOM 244 OE1 GLN A 19 -15.065 18.133 -0.482 1.00 0.00 O ATOM 245 NE2 GLN A 19 -15.831 16.312 0.585 1.00 0.00 N ATOM 0 H GLN A 19 -10.953 14.602 1.659 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.742 15.566 1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.346 16.913 0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.871 15.468 -0.492 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.575 16.524 -1.785 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.294 15.092 -1.077 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.726 15.314 0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.587 16.834 1.028 1.00 0.00 H new ATOM 254 N GLY A 20 -12.537 12.738 0.861 1.00 0.00 N ATOM 255 CA GLY A 20 -12.897 11.383 0.485 1.00 0.00 C ATOM 256 C GLY A 20 -11.923 10.779 -0.508 1.00 0.00 C ATOM 257 O GLY A 20 -11.819 9.557 -0.620 1.00 0.00 O ATOM 0 H GLY A 20 -11.549 12.875 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.934 10.759 1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.898 11.383 0.054 1.00 0.00 H new ATOM 261 N ARG A 21 -11.209 11.636 -1.230 1.00 0.00 N ATOM 262 CA ARG A 21 -10.241 11.179 -2.220 1.00 0.00 C ATOM 263 C ARG A 21 -9.068 10.473 -1.548 1.00 0.00 C ATOM 264 O ARG A 21 -8.859 10.606 -0.342 1.00 0.00 O ATOM 265 CB ARG A 21 -9.733 12.360 -3.050 1.00 0.00 C ATOM 266 CG ARG A 21 -9.365 11.988 -4.477 1.00 0.00 C ATOM 267 CD ARG A 21 -10.547 12.159 -5.419 1.00 0.00 C ATOM 268 NE ARG A 21 -10.181 11.896 -6.808 1.00 0.00 N ATOM 269 CZ ARG A 21 -11.060 11.571 -7.750 1.00 0.00 C ATOM 270 NH1 ARG A 21 -12.348 11.469 -7.453 1.00 0.00 N ATOM 271 NH2 ARG A 21 -10.650 11.347 -8.992 1.00 0.00 N ATOM 0 H ARG A 21 -11.282 12.650 -1.148 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.740 10.469 -2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.500 13.134 -3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.860 12.790 -2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.536 12.610 -4.814 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.020 10.954 -4.508 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.349 11.483 -5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.936 13.173 -5.332 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.197 11.966 -7.069 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.667 11.640 -6.499 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.020 11.219 -8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.660 11.424 -9.224 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.325 11.098 -9.715 1.00 0.00 H new ATOM 285 N ARG A 22 -8.306 9.721 -2.336 1.00 0.00 N ATOM 286 CA ARG A 22 -7.155 8.993 -1.817 1.00 0.00 C ATOM 287 C ARG A 22 -5.855 9.551 -2.389 1.00 0.00 C ATOM 288 O ARG A 22 -5.735 9.761 -3.596 1.00 0.00 O ATOM 289 CB ARG A 22 -7.274 7.504 -2.151 1.00 0.00 C ATOM 290 CG ARG A 22 -6.081 6.680 -1.693 1.00 0.00 C ATOM 291 CD ARG A 22 -6.376 5.190 -1.758 1.00 0.00 C ATOM 292 NE ARG A 22 -5.639 4.441 -0.744 1.00 0.00 N ATOM 293 CZ ARG A 22 -6.029 3.262 -0.272 1.00 0.00 C ATOM 294 NH1 ARG A 22 -7.142 2.701 -0.721 1.00 0.00 N ATOM 295 NH2 ARG A 22 -5.304 2.643 0.650 1.00 0.00 N ATOM 0 H ARG A 22 -8.465 9.600 -3.336 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.137 9.116 -0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.178 7.108 -1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.391 7.390 -3.229 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.218 6.909 -2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.817 6.956 -0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.445 5.026 -1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.117 4.812 -2.747 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.777 4.845 -0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.701 3.174 -1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.440 1.796 -0.357 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.446 3.072 0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.604 1.738 1.012 1.00 0.00 H new ATOM 309 N TYR A 23 -4.884 9.790 -1.514 1.00 0.00 N ATOM 310 CA TYR A 23 -3.594 10.326 -1.931 1.00 0.00 C ATOM 311 C TYR A 23 -2.462 9.730 -1.100 1.00 0.00 C ATOM 312 O TYR A 23 -2.666 9.314 0.041 1.00 0.00 O ATOM 313 CB TYR A 23 -3.587 11.851 -1.803 1.00 0.00 C ATOM 314 CG TYR A 23 -3.528 12.338 -0.373 1.00 0.00 C ATOM 315 CD1 TYR A 23 -4.569 12.083 0.512 1.00 0.00 C ATOM 316 CD2 TYR A 23 -2.433 13.054 0.093 1.00 0.00 C ATOM 317 CE1 TYR A 23 -4.520 12.527 1.820 1.00 0.00 C ATOM 318 CE2 TYR A 23 -2.375 13.501 1.399 1.00 0.00 C ATOM 319 CZ TYR A 23 -3.420 13.235 2.258 1.00 0.00 C ATOM 320 OH TYR A 23 -3.367 13.679 3.560 1.00 0.00 O ATOM 0 H TYR A 23 -4.966 9.621 -0.511 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.436 10.054 -2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -2.732 12.249 -2.349 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.483 12.251 -2.278 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.431 11.528 0.172 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.613 13.265 -0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.338 12.321 2.495 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.516 14.056 1.745 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.526 14.159 3.708 1.00 0.00 H new ATOM 330 N TYR A 24 -1.268 9.692 -1.681 1.00 0.00 N ATOM 331 CA TYR A 24 -0.102 9.145 -0.997 1.00 0.00 C ATOM 332 C TYR A 24 0.826 10.260 -0.527 1.00 0.00 C ATOM 333 O TYR A 24 0.927 11.310 -1.163 1.00 0.00 O ATOM 334 CB TYR A 24 0.656 8.190 -1.921 1.00 0.00 C ATOM 335 CG TYR A 24 -0.230 7.164 -2.590 1.00 0.00 C ATOM 336 CD1 TYR A 24 -1.342 6.646 -1.938 1.00 0.00 C ATOM 337 CD2 TYR A 24 0.045 6.711 -3.875 1.00 0.00 C ATOM 338 CE1 TYR A 24 -2.154 5.708 -2.545 1.00 0.00 C ATOM 339 CE2 TYR A 24 -0.762 5.774 -4.490 1.00 0.00 C ATOM 340 CZ TYR A 24 -1.860 5.276 -3.821 1.00 0.00 C ATOM 341 OH TYR A 24 -2.666 4.341 -4.430 1.00 0.00 O ATOM 0 H TYR A 24 -1.082 10.033 -2.624 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.450 8.594 -0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.169 8.770 -2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.424 7.674 -1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.576 6.983 -0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.905 7.098 -4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.014 5.315 -2.023 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.534 5.433 -5.489 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.321 4.146 -5.326 1.00 0.00 H new ATOM 351 N VAL A 25 1.504 10.025 0.592 1.00 0.00 N ATOM 352 CA VAL A 25 2.427 11.007 1.148 1.00 0.00 C ATOM 353 C VAL A 25 3.622 10.327 1.807 1.00 0.00 C ATOM 354 O VAL A 25 3.460 9.461 2.666 1.00 0.00 O ATOM 355 CB VAL A 25 1.729 11.910 2.182 1.00 0.00 C ATOM 356 CG1 VAL A 25 2.730 12.855 2.829 1.00 0.00 C ATOM 357 CG2 VAL A 25 0.594 12.686 1.531 1.00 0.00 C ATOM 0 H VAL A 25 1.431 9.162 1.131 1.00 0.00 H new ATOM 0 HA VAL A 25 2.775 11.621 0.317 1.00 0.00 H new ATOM 0 HB VAL A 25 1.306 11.278 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.218 13.485 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.505 12.276 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.186 13.482 2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.112 13.319 2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.992 13.308 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.136 11.988 1.121 1.00 0.00 H new ATOM 367 N ASN A 26 4.822 10.728 1.400 1.00 0.00 N ATOM 368 CA ASN A 26 6.046 10.157 1.952 1.00 0.00 C ATOM 369 C ASN A 26 6.351 10.748 3.325 1.00 0.00 C ATOM 370 O ASN A 26 6.024 11.902 3.603 1.00 0.00 O ATOM 371 CB ASN A 26 7.221 10.405 1.005 1.00 0.00 C ATOM 372 CG ASN A 26 8.426 9.548 1.341 1.00 0.00 C ATOM 373 OD1 ASN A 26 9.017 9.682 2.412 1.00 0.00 O ATOM 374 ND2 ASN A 26 8.796 8.661 0.424 1.00 0.00 N ATOM 0 H ASN A 26 4.973 11.445 0.691 1.00 0.00 H new ATOM 0 HA ASN A 26 5.898 9.083 2.063 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.908 10.201 -0.019 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.503 11.457 1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.600 8.057 0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.276 8.584 -0.450 1.00 0.00 H new ATOM 381 N THR A 27 6.980 9.949 4.181 1.00 0.00 N ATOM 382 CA THR A 27 7.329 10.391 5.525 1.00 0.00 C ATOM 383 C THR A 27 8.763 10.907 5.578 1.00 0.00 C ATOM 384 O THR A 27 9.016 12.024 6.033 1.00 0.00 O ATOM 385 CB THR A 27 7.166 9.254 6.551 1.00 0.00 C ATOM 386 OG1 THR A 27 8.001 8.147 6.192 1.00 0.00 O ATOM 387 CG2 THR A 27 5.717 8.799 6.629 1.00 0.00 C ATOM 0 H THR A 27 7.258 8.991 3.967 1.00 0.00 H new ATOM 0 HA THR A 27 6.644 11.200 5.780 1.00 0.00 H new ATOM 0 HB THR A 27 7.464 9.631 7.529 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.893 7.429 6.850 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.627 7.996 7.360 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.088 9.637 6.931 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.396 8.438 5.652 1.00 0.00 H new ATOM 395 N THR A 28 9.700 10.088 5.111 1.00 0.00 N ATOM 396 CA THR A 28 11.108 10.462 5.106 1.00 0.00 C ATOM 397 C THR A 28 11.339 11.725 4.284 1.00 0.00 C ATOM 398 O THR A 28 11.850 12.725 4.792 1.00 0.00 O ATOM 399 CB THR A 28 11.988 9.330 4.543 1.00 0.00 C ATOM 400 OG1 THR A 28 11.683 8.097 5.206 1.00 0.00 O ATOM 401 CG2 THR A 28 13.464 9.653 4.719 1.00 0.00 C ATOM 0 H THR A 28 9.509 9.161 4.731 1.00 0.00 H new ATOM 0 HA THR A 28 11.388 10.650 6.143 1.00 0.00 H new ATOM 0 HB THR A 28 11.778 9.232 3.478 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.245 7.382 4.841 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.065 8.839 4.314 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.700 10.576 4.190 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.686 9.775 5.779 1.00 0.00 H new ATOM 409 N THR A 29 10.960 11.675 3.011 1.00 0.00 N ATOM 410 CA THR A 29 11.127 12.816 2.119 1.00 0.00 C ATOM 411 C THR A 29 10.099 13.902 2.417 1.00 0.00 C ATOM 412 O THR A 29 10.403 15.092 2.350 1.00 0.00 O ATOM 413 CB THR A 29 10.999 12.396 0.642 1.00 0.00 C ATOM 414 OG1 THR A 29 9.619 12.245 0.293 1.00 0.00 O ATOM 415 CG2 THR A 29 11.739 11.092 0.384 1.00 0.00 C ATOM 0 H THR A 29 10.535 10.857 2.574 1.00 0.00 H new ATOM 0 HA THR A 29 12.128 13.210 2.293 1.00 0.00 H new ATOM 0 HB THR A 29 11.445 13.176 0.026 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.547 11.980 -0.648 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.634 10.816 -0.665 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.795 11.220 0.622 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.319 10.305 1.010 1.00 0.00 H new ATOM 423 N ASN A 30 8.882 13.483 2.748 1.00 0.00 N ATOM 424 CA ASN A 30 7.809 14.422 3.057 1.00 0.00 C ATOM 425 C ASN A 30 7.282 15.083 1.787 1.00 0.00 C ATOM 426 O ASN A 30 7.096 16.298 1.740 1.00 0.00 O ATOM 427 CB ASN A 30 8.304 15.490 4.034 1.00 0.00 C ATOM 428 CG ASN A 30 9.158 14.908 5.144 1.00 0.00 C ATOM 429 OD1 ASN A 30 10.373 14.773 5.001 1.00 0.00 O ATOM 430 ND2 ASN A 30 8.524 14.559 6.257 1.00 0.00 N ATOM 0 H ASN A 30 8.614 12.501 2.809 1.00 0.00 H new ATOM 0 HA ASN A 30 6.994 13.865 3.520 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.881 16.237 3.489 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.448 16.004 4.470 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.046 14.161 7.038 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.515 14.689 6.331 1.00 0.00 H new ATOM 437 N GLU A 31 7.043 14.273 0.760 1.00 0.00 N ATOM 438 CA GLU A 31 6.537 14.780 -0.510 1.00 0.00 C ATOM 439 C GLU A 31 5.084 14.364 -0.722 1.00 0.00 C ATOM 440 O GLU A 31 4.705 13.226 -0.444 1.00 0.00 O ATOM 441 CB GLU A 31 7.399 14.272 -1.667 1.00 0.00 C ATOM 442 CG GLU A 31 8.556 15.194 -2.016 1.00 0.00 C ATOM 443 CD GLU A 31 9.572 14.535 -2.929 1.00 0.00 C ATOM 444 OE1 GLU A 31 10.402 13.750 -2.425 1.00 0.00 O ATOM 445 OE2 GLU A 31 9.536 14.806 -4.148 1.00 0.00 O ATOM 0 H GLU A 31 7.192 13.264 0.783 1.00 0.00 H new ATOM 0 HA GLU A 31 6.584 15.869 -0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.794 13.289 -1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.770 14.143 -2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.168 16.091 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.051 15.513 -1.099 1.00 0.00 H new ATOM 452 N THR A 32 4.274 15.296 -1.217 1.00 0.00 N ATOM 453 CA THR A 32 2.864 15.028 -1.465 1.00 0.00 C ATOM 454 C THR A 32 2.634 14.580 -2.904 1.00 0.00 C ATOM 455 O THR A 32 3.171 15.169 -3.843 1.00 0.00 O ATOM 456 CB THR A 32 1.998 16.270 -1.182 1.00 0.00 C ATOM 457 OG1 THR A 32 2.429 16.902 0.028 1.00 0.00 O ATOM 458 CG2 THR A 32 0.529 15.890 -1.066 1.00 0.00 C ATOM 0 H THR A 32 4.572 16.243 -1.454 1.00 0.00 H new ATOM 0 HA THR A 32 2.571 14.227 -0.787 1.00 0.00 H new ATOM 0 HB THR A 32 2.113 16.964 -2.015 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.875 17.692 0.200 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.063 16.783 -0.866 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.196 15.435 -1.999 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.400 15.179 -0.250 1.00 0.00 H new ATOM 466 N THR A 33 1.832 13.533 -3.073 1.00 0.00 N ATOM 467 CA THR A 33 1.531 13.006 -4.398 1.00 0.00 C ATOM 468 C THR A 33 0.065 12.605 -4.510 1.00 0.00 C ATOM 469 O THR A 33 -0.685 12.680 -3.537 1.00 0.00 O ATOM 470 CB THR A 33 2.412 11.786 -4.730 1.00 0.00 C ATOM 471 OG1 THR A 33 2.585 11.679 -6.147 1.00 0.00 O ATOM 472 CG2 THR A 33 1.790 10.507 -4.191 1.00 0.00 C ATOM 0 H THR A 33 1.379 13.033 -2.308 1.00 0.00 H new ATOM 0 HA THR A 33 1.742 13.803 -5.111 1.00 0.00 H new ATOM 0 HB THR A 33 3.383 11.926 -4.256 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.122 10.885 -6.352 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.430 9.659 -4.437 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.687 10.581 -3.108 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.807 10.363 -4.640 1.00 0.00 H new ATOM 480 N TRP A 34 -0.337 12.180 -5.703 1.00 0.00 N ATOM 481 CA TRP A 34 -1.715 11.766 -5.942 1.00 0.00 C ATOM 482 C TRP A 34 -1.778 10.308 -6.380 1.00 0.00 C ATOM 483 O TRP A 34 -1.431 9.976 -7.513 1.00 0.00 O ATOM 484 CB TRP A 34 -2.360 12.659 -7.003 1.00 0.00 C ATOM 485 CG TRP A 34 -2.818 13.982 -6.469 1.00 0.00 C ATOM 486 CD1 TRP A 34 -2.237 15.199 -6.685 1.00 0.00 C ATOM 487 CD2 TRP A 34 -3.951 14.221 -5.627 1.00 0.00 C ATOM 488 NE1 TRP A 34 -2.940 16.180 -6.029 1.00 0.00 N ATOM 489 CE2 TRP A 34 -3.997 15.606 -5.373 1.00 0.00 C ATOM 490 CE3 TRP A 34 -4.932 13.400 -5.064 1.00 0.00 C ATOM 491 CZ2 TRP A 34 -4.985 16.184 -4.581 1.00 0.00 C ATOM 492 CZ3 TRP A 34 -5.912 13.976 -4.278 1.00 0.00 C ATOM 493 CH2 TRP A 34 -5.933 15.357 -4.043 1.00 0.00 C ATOM 0 H TRP A 34 0.271 12.113 -6.519 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.266 11.868 -5.007 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -1.645 12.828 -7.808 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.212 12.136 -7.438 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -1.354 15.366 -7.284 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -2.712 17.174 -6.030 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -4.924 12.334 -5.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -5.003 17.248 -4.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.675 13.351 -3.837 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.713 15.777 -3.425 1.00 0.00 H new ATOM 504 N GLU A 35 -2.222 9.441 -5.475 1.00 0.00 N ATOM 505 CA GLU A 35 -2.329 8.017 -5.771 1.00 0.00 C ATOM 506 C GLU A 35 -1.146 7.545 -6.611 1.00 0.00 C ATOM 507 O GLU A 35 -1.309 6.765 -7.549 1.00 0.00 O ATOM 508 CB GLU A 35 -3.639 7.722 -6.504 1.00 0.00 C ATOM 509 CG GLU A 35 -4.788 7.364 -5.577 1.00 0.00 C ATOM 510 CD GLU A 35 -5.961 6.745 -6.313 1.00 0.00 C ATOM 511 OE1 GLU A 35 -5.761 5.708 -6.979 1.00 0.00 O ATOM 512 OE2 GLU A 35 -7.077 7.298 -6.224 1.00 0.00 O ATOM 0 H GLU A 35 -2.513 9.699 -4.532 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.320 7.475 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.919 8.594 -7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.478 6.901 -7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.433 6.668 -4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.123 8.261 -5.057 1.00 0.00 H new ATOM 519 N ARG A 36 0.045 8.026 -6.268 1.00 0.00 N ATOM 520 CA ARG A 36 1.256 7.655 -6.991 1.00 0.00 C ATOM 521 C ARG A 36 2.501 8.089 -6.225 1.00 0.00 C ATOM 522 O ARG A 36 2.856 9.268 -6.185 1.00 0.00 O ATOM 523 CB ARG A 36 1.256 8.287 -8.385 1.00 0.00 C ATOM 524 CG ARG A 36 0.337 7.585 -9.372 1.00 0.00 C ATOM 525 CD ARG A 36 0.875 7.670 -10.791 1.00 0.00 C ATOM 526 NE ARG A 36 -0.197 7.678 -11.783 1.00 0.00 N ATOM 527 CZ ARG A 36 -0.035 7.288 -13.043 1.00 0.00 C ATOM 528 NH1 ARG A 36 1.148 6.861 -13.462 1.00 0.00 N ATOM 529 NH2 ARG A 36 -1.059 7.325 -13.886 1.00 0.00 N ATOM 0 H ARG A 36 0.197 8.673 -5.494 1.00 0.00 H new ATOM 0 HA ARG A 36 1.272 6.570 -7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.955 9.331 -8.301 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.272 8.278 -8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.225 6.539 -9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.655 8.035 -9.330 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.475 8.574 -10.898 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.537 6.825 -10.979 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.120 8.000 -11.493 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.937 6.831 -12.817 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.269 6.562 -14.430 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.971 7.653 -13.567 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.934 7.026 -14.853 1.00 0.00 H new ATOM 543 N PRO A 37 3.181 7.116 -5.600 1.00 0.00 N ATOM 544 CA PRO A 37 4.397 7.373 -4.823 1.00 0.00 C ATOM 545 C PRO A 37 5.577 7.766 -5.706 1.00 0.00 C ATOM 546 O PRO A 37 6.321 6.908 -6.182 1.00 0.00 O ATOM 547 CB PRO A 37 4.668 6.034 -4.134 1.00 0.00 C ATOM 548 CG PRO A 37 4.024 5.018 -5.014 1.00 0.00 C ATOM 549 CD PRO A 37 2.816 5.690 -5.606 1.00 0.00 C ATOM 0 HA PRO A 37 4.270 8.206 -4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.738 5.850 -4.034 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.245 6.013 -3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.709 4.688 -5.795 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.739 4.133 -4.445 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.611 5.332 -6.615 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.921 5.502 -5.013 1.00 0.00 H new ATOM 557 N SER A 38 5.743 9.067 -5.920 1.00 0.00 N ATOM 558 CA SER A 38 6.831 9.573 -6.749 1.00 0.00 C ATOM 559 C SER A 38 8.144 8.877 -6.405 1.00 0.00 C ATOM 560 O SER A 38 8.693 9.064 -5.319 1.00 0.00 O ATOM 561 CB SER A 38 6.979 11.085 -6.566 1.00 0.00 C ATOM 562 OG SER A 38 5.994 11.787 -7.305 1.00 0.00 O ATOM 0 H SER A 38 5.138 9.790 -5.531 1.00 0.00 H new ATOM 0 HA SER A 38 6.590 9.362 -7.791 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.893 11.337 -5.509 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.972 11.398 -6.889 1.00 0.00 H new ATOM 0 HG SER A 38 6.109 12.751 -7.170 1.00 0.00 H new ATOM 568 N SER A 39 8.643 8.073 -7.339 1.00 0.00 N ATOM 569 CA SER A 39 9.890 7.346 -7.135 1.00 0.00 C ATOM 570 C SER A 39 11.010 7.937 -7.986 1.00 0.00 C ATOM 571 O SER A 39 10.807 8.269 -9.154 1.00 0.00 O ATOM 572 CB SER A 39 9.703 5.866 -7.475 1.00 0.00 C ATOM 573 OG SER A 39 10.681 5.067 -6.832 1.00 0.00 O ATOM 0 H SER A 39 8.202 7.909 -8.244 1.00 0.00 H new ATOM 0 HA SER A 39 10.168 7.439 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.708 5.543 -7.171 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.767 5.727 -8.554 1.00 0.00 H new ATOM 0 HG SER A 39 10.539 4.126 -7.064 1.00 0.00 H new ATOM 579 N SER A 40 12.192 8.065 -7.392 1.00 0.00 N ATOM 580 CA SER A 40 13.344 8.619 -8.093 1.00 0.00 C ATOM 581 C SER A 40 14.632 7.933 -7.649 1.00 0.00 C ATOM 582 O SER A 40 14.778 7.560 -6.486 1.00 0.00 O ATOM 583 CB SER A 40 13.442 10.125 -7.844 1.00 0.00 C ATOM 584 OG SER A 40 14.668 10.643 -8.331 1.00 0.00 O ATOM 0 H SER A 40 12.377 7.792 -6.427 1.00 0.00 H new ATOM 0 HA SER A 40 13.209 8.442 -9.160 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.610 10.632 -8.332 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.357 10.327 -6.776 1.00 0.00 H new ATOM 0 HG SER A 40 14.706 11.607 -8.162 1.00 0.00 H new TER 590 SER A 40