USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 291 hydrogens (3 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 26 GLN : amide:sc= 1.53 K(o=5.3,f=-12!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -154:sc= 1.78 (180deg=0.836) USER MOD Set 1.3: A 30 LYS NZ :NH3+ 164:sc= 2.04 (180deg=0.807) USER MOD Single : A 2 SER OG : rot 180:sc= 0.546 USER MOD Single : A 7 THR OG1 : rot -85:sc= 0.601 USER MOD Single : A 8 GLN : amide:sc= 0.391 X(o=0.39,f=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 120:sc= 0.352 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.15 K(o=-1.2,f=-7!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -115:sc= 0.0291 (180deg=-0.174) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 5.861 5.384 -5.240 1.00 0.00 C HETATM 2 O ACE A 0 4.798 5.263 -5.849 1.00 0.00 O HETATM 3 CH3 ACE A 0 7.035 6.116 -5.880 1.00 0.00 C HETATM 0 H1 ACE A 0 7.310 6.971 -5.263 1.00 0.00 H new HETATM 0 H2 ACE A 0 7.885 5.439 -5.962 1.00 0.00 H new HETATM 0 H3 ACE A 0 6.750 6.462 -6.874 1.00 0.00 H new ATOM 7 N LEU A 1 6.055 4.907 -4.005 1.00 0.00 N ATOM 8 CA LEU A 1 5.018 4.221 -3.249 1.00 0.00 C ATOM 9 C LEU A 1 4.094 5.256 -2.607 1.00 0.00 C ATOM 10 O LEU A 1 4.279 5.638 -1.453 1.00 0.00 O ATOM 11 CB LEU A 1 5.656 3.263 -2.227 1.00 0.00 C ATOM 12 CG LEU A 1 4.702 2.266 -1.532 1.00 0.00 C ATOM 13 CD1 LEU A 1 3.802 2.884 -0.455 1.00 0.00 C ATOM 14 CD2 LEU A 1 3.831 1.485 -2.523 1.00 0.00 C ATOM 0 H LEU A 1 6.941 4.990 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 1 4.407 3.606 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 1 6.436 2.694 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 1 6.145 3.860 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 1 5.386 1.581 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.168 2.110 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.420 3.325 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.177 3.657 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.182 0.801 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.221 2.181 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.470 0.917 -3.199 1.00 0.00 H new ATOM 26 N SER A 2 3.096 5.711 -3.370 1.00 0.00 N ATOM 27 CA SER A 2 1.995 6.513 -2.861 1.00 0.00 C ATOM 28 C SER A 2 0.947 5.569 -2.265 1.00 0.00 C ATOM 29 O SER A 2 1.024 4.355 -2.453 1.00 0.00 O ATOM 30 CB SER A 2 1.405 7.343 -4.006 1.00 0.00 C ATOM 31 OG SER A 2 0.882 6.496 -5.010 1.00 0.00 O ATOM 0 H SER A 2 3.035 5.527 -4.371 1.00 0.00 H new ATOM 0 HA SER A 2 2.337 7.199 -2.086 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.618 7.994 -3.624 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.174 7.988 -4.430 1.00 0.00 H new ATOM 0 HG SER A 2 0.507 7.040 -5.734 1.00 0.00 H new ATOM 37 N ILE A 3 -0.058 6.116 -1.573 1.00 0.00 N ATOM 38 CA ILE A 3 -1.184 5.345 -1.070 1.00 0.00 C ATOM 39 C ILE A 3 -1.883 4.649 -2.248 1.00 0.00 C ATOM 40 O ILE A 3 -2.290 3.493 -2.140 1.00 0.00 O ATOM 41 CB ILE A 3 -2.112 6.289 -0.263 1.00 0.00 C ATOM 42 CG1 ILE A 3 -1.915 5.939 1.219 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.599 6.166 -0.641 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.766 6.765 2.188 1.00 0.00 C ATOM 0 H ILE A 3 -0.107 7.110 -1.349 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.863 4.556 -0.389 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.843 7.321 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.145 4.883 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.864 6.074 1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.187 6.856 -0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.728 6.409 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.937 5.146 -0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.562 6.450 3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.521 7.821 2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.822 6.613 1.965 1.00 0.00 H new ATOM 56 N GLU A 4 -1.997 5.350 -3.384 1.00 0.00 N ATOM 57 CA GLU A 4 -2.639 4.833 -4.580 1.00 0.00 C ATOM 58 C GLU A 4 -1.819 3.689 -5.171 1.00 0.00 C ATOM 59 O GLU A 4 -2.378 2.649 -5.517 1.00 0.00 O ATOM 60 CB GLU A 4 -2.817 5.962 -5.605 1.00 0.00 C ATOM 61 CG GLU A 4 -4.039 6.836 -5.295 1.00 0.00 C ATOM 62 CD GLU A 4 -5.350 6.054 -5.347 1.00 0.00 C ATOM 63 OE1 GLU A 4 -6.003 5.903 -4.317 1.00 0.00 O ATOM 64 OE2 GLU A 4 -5.705 5.562 -6.567 1.00 0.00 O ATOM 0 H GLU A 4 -1.640 6.300 -3.490 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.622 4.443 -4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.922 6.583 -5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.922 5.533 -6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.923 7.278 -4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.083 7.659 -6.008 1.00 0.00 H new ATOM 72 N ASP A 5 -0.499 3.875 -5.285 1.00 0.00 N ATOM 73 CA ASP A 5 0.400 2.842 -5.774 1.00 0.00 C ATOM 74 C ASP A 5 0.340 1.605 -4.878 1.00 0.00 C ATOM 75 O ASP A 5 0.311 0.485 -5.382 1.00 0.00 O ATOM 76 CB ASP A 5 1.826 3.390 -5.856 1.00 0.00 C ATOM 77 CG ASP A 5 2.784 2.359 -6.445 1.00 0.00 C ATOM 78 OD1 ASP A 5 3.356 1.575 -5.693 1.00 0.00 O ATOM 79 OD2 ASP A 5 2.933 2.380 -7.801 1.00 0.00 O ATOM 0 H ASP A 5 -0.031 4.748 -5.039 1.00 0.00 H new ATOM 0 HA ASP A 5 0.084 2.544 -6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.837 4.291 -6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.165 3.677 -4.861 1.00 0.00 H new ATOM 85 N PHE A 6 0.308 1.810 -3.556 1.00 0.00 N ATOM 86 CA PHE A 6 0.223 0.726 -2.595 1.00 0.00 C ATOM 87 C PHE A 6 -1.023 -0.123 -2.851 1.00 0.00 C ATOM 88 O PHE A 6 -0.908 -1.322 -3.095 1.00 0.00 O ATOM 89 CB PHE A 6 0.233 1.260 -1.156 1.00 0.00 C ATOM 90 CG PHE A 6 0.044 0.128 -0.173 1.00 0.00 C ATOM 91 CD1 PHE A 6 1.126 -0.704 0.170 1.00 0.00 C ATOM 92 CD2 PHE A 6 -1.178 -0.001 0.510 1.00 0.00 C ATOM 93 CE1 PHE A 6 1.076 -1.451 1.357 1.00 0.00 C ATOM 94 CE2 PHE A 6 -1.225 -0.742 1.699 1.00 0.00 C ATOM 95 CZ PHE A 6 -0.078 -1.411 2.155 1.00 0.00 C ATOM 0 H PHE A 6 0.341 2.737 -3.131 1.00 0.00 H new ATOM 0 HA PHE A 6 1.102 0.093 -2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.176 1.769 -0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.560 1.997 -1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.989 -0.767 -0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.071 0.466 0.123 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.921 -2.054 1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.144 -0.798 2.264 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.084 -1.895 3.120 1.00 0.00 H new ATOM 105 N THR A 7 -2.205 0.499 -2.781 1.00 0.00 N ATOM 106 CA THR A 7 -3.486 -0.166 -2.892 1.00 0.00 C ATOM 107 C THR A 7 -3.605 -0.931 -4.209 1.00 0.00 C ATOM 108 O THR A 7 -4.001 -2.093 -4.193 1.00 0.00 O ATOM 109 CB THR A 7 -4.596 0.883 -2.762 1.00 0.00 C ATOM 110 OG1 THR A 7 -4.347 2.009 -3.574 1.00 0.00 O ATOM 111 CG2 THR A 7 -4.791 1.343 -1.316 1.00 0.00 C ATOM 0 H THR A 7 -2.288 1.506 -2.642 1.00 0.00 H new ATOM 0 HA THR A 7 -3.581 -0.900 -2.092 1.00 0.00 H new ATOM 0 HB THR A 7 -5.510 0.393 -3.098 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.769 2.638 -3.093 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.588 2.086 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.059 0.488 -0.695 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.865 1.783 -0.946 1.00 0.00 H new ATOM 119 N GLN A 8 -3.271 -0.301 -5.344 1.00 0.00 N ATOM 120 CA GLN A 8 -3.418 -0.950 -6.643 1.00 0.00 C ATOM 121 C GLN A 8 -2.423 -2.104 -6.824 1.00 0.00 C ATOM 122 O GLN A 8 -2.759 -3.093 -7.472 1.00 0.00 O ATOM 123 CB GLN A 8 -3.332 0.082 -7.778 1.00 0.00 C ATOM 124 CG GLN A 8 -1.906 0.575 -8.047 1.00 0.00 C ATOM 125 CD GLN A 8 -1.895 1.789 -8.971 1.00 0.00 C ATOM 126 OE1 GLN A 8 -1.504 1.690 -10.131 1.00 0.00 O ATOM 127 NE2 GLN A 8 -2.318 2.944 -8.453 1.00 0.00 N ATOM 0 H GLN A 8 -2.901 0.649 -5.384 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.410 -1.399 -6.684 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.734 -0.358 -8.690 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.963 0.936 -7.531 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.425 0.832 -7.103 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.321 -0.229 -8.495 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.635 2.983 -7.484 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.325 3.788 -9.026 1.00 0.00 H new ATOM 136 N ALA A 9 -1.217 -1.999 -6.245 1.00 0.00 N ATOM 137 CA ALA A 9 -0.164 -3.000 -6.393 1.00 0.00 C ATOM 138 C ALA A 9 -0.276 -4.092 -5.324 1.00 0.00 C ATOM 139 O ALA A 9 0.742 -4.583 -4.841 1.00 0.00 O ATOM 140 CB ALA A 9 1.208 -2.315 -6.335 1.00 0.00 C ATOM 0 H ALA A 9 -0.949 -1.209 -5.658 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.280 -3.485 -7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.993 -3.063 -6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.285 -1.586 -7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.322 -1.809 -5.376 1.00 0.00 H new ATOM 146 N PHE A 10 -1.501 -4.480 -4.946 1.00 0.00 N ATOM 147 CA PHE A 10 -1.720 -5.444 -3.876 1.00 0.00 C ATOM 148 C PHE A 10 -3.185 -5.876 -3.886 1.00 0.00 C ATOM 149 O PHE A 10 -3.485 -7.068 -3.864 1.00 0.00 O ATOM 150 CB PHE A 10 -1.399 -4.792 -2.522 1.00 0.00 C ATOM 151 CG PHE A 10 -0.120 -5.274 -1.876 1.00 0.00 C ATOM 152 CD1 PHE A 10 -0.016 -6.591 -1.394 1.00 0.00 C ATOM 153 CD2 PHE A 10 0.974 -4.397 -1.760 1.00 0.00 C ATOM 154 CE1 PHE A 10 1.161 -7.015 -0.757 1.00 0.00 C ATOM 155 CE2 PHE A 10 2.163 -4.834 -1.157 1.00 0.00 C ATOM 156 CZ PHE A 10 2.259 -6.144 -0.663 1.00 0.00 C ATOM 0 H PHE A 10 -2.359 -4.133 -5.374 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.074 -6.309 -4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.336 -3.713 -2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.228 -4.978 -1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.842 -7.277 -1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.898 -3.387 -2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.222 -8.009 -0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.004 -4.162 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.179 -6.483 -0.210 1.00 0.00 H new ATOM 166 N GLY A 11 -4.085 -4.888 -3.874 1.00 0.00 N ATOM 167 CA GLY A 11 -5.521 -5.085 -3.753 1.00 0.00 C ATOM 168 C GLY A 11 -5.987 -5.040 -2.295 1.00 0.00 C ATOM 169 O GLY A 11 -6.973 -5.696 -1.964 1.00 0.00 O ATOM 0 H GLY A 11 -3.821 -3.906 -3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.041 -4.316 -4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.793 -6.045 -4.191 1.00 0.00 H new ATOM 173 N MET A 12 -5.280 -4.303 -1.421 1.00 0.00 N ATOM 174 CA MET A 12 -5.609 -4.195 -0.002 1.00 0.00 C ATOM 175 C MET A 12 -5.446 -2.765 0.504 1.00 0.00 C ATOM 176 O MET A 12 -4.698 -1.977 -0.070 1.00 0.00 O ATOM 177 CB MET A 12 -4.755 -5.173 0.818 1.00 0.00 C ATOM 178 CG MET A 12 -3.289 -4.743 0.965 1.00 0.00 C ATOM 179 SD MET A 12 -2.086 -6.094 1.118 1.00 0.00 S ATOM 180 CE MET A 12 -2.639 -6.944 2.619 1.00 0.00 C ATOM 0 H MET A 12 -4.457 -3.763 -1.689 1.00 0.00 H new ATOM 0 HA MET A 12 -6.658 -4.463 0.123 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.194 -5.280 1.810 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.790 -6.155 0.346 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.019 -4.136 0.101 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.203 -4.103 1.843 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.983 -7.791 2.820 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.608 -6.253 3.461 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.660 -7.301 2.480 1.00 0.00 H new ATOM 190 N THR A 13 -6.136 -2.450 1.605 1.00 0.00 N ATOM 191 CA THR A 13 -6.010 -1.182 2.313 1.00 0.00 C ATOM 192 C THR A 13 -4.667 -1.076 3.040 1.00 0.00 C ATOM 193 O THR A 13 -4.174 -2.070 3.575 1.00 0.00 O ATOM 194 CB THR A 13 -7.212 -0.934 3.258 1.00 0.00 C ATOM 195 OG1 THR A 13 -6.794 -0.441 4.507 1.00 0.00 O ATOM 196 CG2 THR A 13 -8.061 -2.170 3.581 1.00 0.00 C ATOM 0 H THR A 13 -6.810 -3.085 2.033 1.00 0.00 H new ATOM 0 HA THR A 13 -6.028 -0.386 1.568 1.00 0.00 H new ATOM 0 HB THR A 13 -7.813 -0.222 2.693 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.197 0.439 4.663 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.875 -1.888 4.249 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.474 -2.579 2.659 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.439 -2.922 4.065 1.00 0.00 H new ATOM 204 N PRO A 14 -4.089 0.137 3.103 1.00 0.00 N ATOM 205 CA PRO A 14 -2.911 0.414 3.902 1.00 0.00 C ATOM 206 C PRO A 14 -3.229 0.323 5.395 1.00 0.00 C ATOM 207 O PRO A 14 -2.305 0.151 6.185 1.00 0.00 O ATOM 208 CB PRO A 14 -2.467 1.823 3.506 1.00 0.00 C ATOM 209 CG PRO A 14 -3.779 2.503 3.127 1.00 0.00 C ATOM 210 CD PRO A 14 -4.593 1.367 2.510 1.00 0.00 C ATOM 0 HA PRO A 14 -2.119 -0.313 3.722 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.970 2.336 4.329 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.766 1.806 2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.278 2.930 3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.621 3.317 2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.656 1.492 2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.480 1.351 1.426 1.00 0.00 H new ATOM 218 N ALA A 15 -4.507 0.415 5.799 1.00 0.00 N ATOM 219 CA ALA A 15 -4.877 0.243 7.201 1.00 0.00 C ATOM 220 C ALA A 15 -4.720 -1.225 7.600 1.00 0.00 C ATOM 221 O ALA A 15 -4.092 -1.526 8.616 1.00 0.00 O ATOM 222 CB ALA A 15 -6.297 0.750 7.463 1.00 0.00 C ATOM 0 H ALA A 15 -5.291 0.606 5.175 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.208 0.841 7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.545 0.609 8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.357 1.810 7.215 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.002 0.193 6.846 1.00 0.00 H new ATOM 228 N ALA A 16 -5.255 -2.139 6.777 1.00 0.00 N ATOM 229 CA ALA A 16 -5.069 -3.575 6.952 1.00 0.00 C ATOM 230 C ALA A 16 -3.583 -3.929 6.950 1.00 0.00 C ATOM 231 O ALA A 16 -3.134 -4.725 7.772 1.00 0.00 O ATOM 232 CB ALA A 16 -5.802 -4.345 5.849 1.00 0.00 C ATOM 0 H ALA A 16 -5.830 -1.895 5.970 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.489 -3.862 7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.654 -5.415 5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.867 -4.117 5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.407 -4.052 4.876 1.00 0.00 H new ATOM 238 N PHE A 17 -2.824 -3.316 6.035 1.00 0.00 N ATOM 239 CA PHE A 17 -1.384 -3.493 5.950 1.00 0.00 C ATOM 240 C PHE A 17 -0.714 -3.066 7.258 1.00 0.00 C ATOM 241 O PHE A 17 0.078 -3.818 7.818 1.00 0.00 O ATOM 242 CB PHE A 17 -0.847 -2.700 4.747 1.00 0.00 C ATOM 243 CG PHE A 17 0.340 -3.325 4.049 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.196 -4.599 3.476 1.00 0.00 C ATOM 245 CD2 PHE A 17 1.557 -2.631 3.907 1.00 0.00 C ATOM 246 CE1 PHE A 17 1.211 -5.130 2.669 1.00 0.00 C ATOM 247 CE2 PHE A 17 2.618 -3.216 3.194 1.00 0.00 C ATOM 248 CZ PHE A 17 2.441 -4.466 2.573 1.00 0.00 C ATOM 0 H PHE A 17 -3.201 -2.681 5.332 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.150 -4.547 5.800 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.652 -2.578 4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.567 -1.702 5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.701 -5.172 3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.675 -1.651 4.345 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.046 -6.047 2.123 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.568 -2.707 3.123 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.254 -4.914 2.022 1.00 0.00 H new ATOM 258 N SER A 18 -1.062 -1.867 7.746 1.00 0.00 N ATOM 259 CA SER A 18 -0.467 -1.232 8.915 1.00 0.00 C ATOM 260 C SER A 18 -0.643 -2.081 10.172 1.00 0.00 C ATOM 261 O SER A 18 0.247 -2.108 11.020 1.00 0.00 O ATOM 262 CB SER A 18 -1.045 0.174 9.115 1.00 0.00 C ATOM 263 OG SER A 18 -0.372 0.824 10.174 1.00 0.00 O ATOM 0 H SER A 18 -1.792 -1.298 7.317 1.00 0.00 H new ATOM 0 HA SER A 18 0.604 -1.143 8.735 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.942 0.753 8.197 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.111 0.111 9.334 1.00 0.00 H new ATOM 0 HG SER A 18 -0.745 1.722 10.296 1.00 0.00 H new ATOM 269 N ALA A 19 -1.788 -2.769 10.281 1.00 0.00 N ATOM 270 CA ALA A 19 -2.121 -3.628 11.408 1.00 0.00 C ATOM 271 C ALA A 19 -1.095 -4.745 11.631 1.00 0.00 C ATOM 272 O ALA A 19 -0.921 -5.183 12.767 1.00 0.00 O ATOM 273 CB ALA A 19 -3.520 -4.214 11.208 1.00 0.00 C ATOM 0 H ALA A 19 -2.518 -2.738 9.570 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.102 -3.011 12.306 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.769 -4.857 12.052 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.247 -3.405 11.141 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.542 -4.798 10.288 1.00 0.00 H new ATOM 279 N LEU A 20 -0.413 -5.212 10.572 1.00 0.00 N ATOM 280 CA LEU A 20 0.599 -6.258 10.718 1.00 0.00 C ATOM 281 C LEU A 20 1.850 -5.676 11.387 1.00 0.00 C ATOM 282 O LEU A 20 2.067 -4.468 11.306 1.00 0.00 O ATOM 283 CB LEU A 20 1.019 -6.836 9.354 1.00 0.00 C ATOM 284 CG LEU A 20 -0.112 -7.107 8.350 1.00 0.00 C ATOM 285 CD1 LEU A 20 0.523 -7.453 6.998 1.00 0.00 C ATOM 286 CD2 LEU A 20 -1.018 -8.246 8.827 1.00 0.00 C ATOM 0 H LEU A 20 -0.546 -4.882 9.616 1.00 0.00 H new ATOM 0 HA LEU A 20 0.161 -7.051 11.324 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.727 -6.146 8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.552 -7.770 9.528 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.738 -6.219 8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.261 -7.650 6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.134 -6.617 6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.149 -8.339 7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.808 -8.413 8.095 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.429 -9.156 8.940 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.462 -7.980 9.786 1.00 0.00 H new ATOM 298 N PRO A 21 2.711 -6.497 12.013 1.00 0.00 N ATOM 299 CA PRO A 21 4.021 -6.047 12.453 1.00 0.00 C ATOM 300 C PRO A 21 4.795 -5.465 11.269 1.00 0.00 C ATOM 301 O PRO A 21 4.761 -6.011 10.165 1.00 0.00 O ATOM 302 CB PRO A 21 4.736 -7.266 13.038 1.00 0.00 C ATOM 303 CG PRO A 21 3.906 -8.462 12.568 1.00 0.00 C ATOM 304 CD PRO A 21 2.503 -7.884 12.387 1.00 0.00 C ATOM 0 HA PRO A 21 3.943 -5.261 13.204 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.764 -7.332 12.681 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.779 -7.216 14.126 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.292 -8.875 11.636 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.915 -9.268 13.302 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.952 -8.422 11.616 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.923 -7.962 13.307 1.00 0.00 H new ATOM 312 N ARG A 22 5.465 -4.336 11.518 1.00 0.00 N ATOM 313 CA ARG A 22 6.112 -3.512 10.510 1.00 0.00 C ATOM 314 C ARG A 22 7.109 -4.307 9.661 1.00 0.00 C ATOM 315 O ARG A 22 7.231 -4.050 8.465 1.00 0.00 O ATOM 316 CB ARG A 22 6.798 -2.331 11.212 1.00 0.00 C ATOM 317 CG ARG A 22 7.228 -1.229 10.233 1.00 0.00 C ATOM 318 CD ARG A 22 6.344 0.024 10.315 1.00 0.00 C ATOM 319 NE ARG A 22 4.926 -0.239 10.006 1.00 0.00 N ATOM 320 CZ ARG A 22 3.882 -0.060 10.840 1.00 0.00 C ATOM 321 NH1 ARG A 22 4.054 0.125 12.156 1.00 0.00 N ATOM 322 NH2 ARG A 22 2.642 -0.058 10.339 1.00 0.00 N ATOM 0 H ARG A 22 5.572 -3.964 12.462 1.00 0.00 H new ATOM 0 HA ARG A 22 5.355 -3.144 9.818 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.118 -1.909 11.952 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.673 -2.693 11.752 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.262 -0.952 10.438 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.199 -1.622 9.217 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.418 0.447 11.317 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.726 0.775 9.623 1.00 0.00 H new ATOM 0 HE ARG A 22 4.715 -0.590 9.072 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.994 0.133 12.551 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.245 0.258 12.762 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.496 -0.191 9.338 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.842 0.076 10.958 1.00 0.00 H new ATOM 336 N TRP A 23 7.816 -5.274 10.259 1.00 0.00 N ATOM 337 CA TRP A 23 8.775 -6.084 9.519 1.00 0.00 C ATOM 338 C TRP A 23 8.071 -6.885 8.421 1.00 0.00 C ATOM 339 O TRP A 23 8.534 -6.921 7.282 1.00 0.00 O ATOM 340 CB TRP A 23 9.577 -6.978 10.478 1.00 0.00 C ATOM 341 CG TRP A 23 8.909 -8.255 10.897 1.00 0.00 C ATOM 342 CD1 TRP A 23 8.238 -8.442 12.052 1.00 0.00 C ATOM 343 CD2 TRP A 23 8.797 -9.516 10.167 1.00 0.00 C ATOM 344 NE1 TRP A 23 7.667 -9.697 12.071 1.00 0.00 N ATOM 345 CE2 TRP A 23 7.964 -10.396 10.918 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.261 -9.986 8.917 1.00 0.00 C ATOM 347 CZ2 TRP A 23 7.600 -11.667 10.451 1.00 0.00 C ATOM 348 CZ3 TRP A 23 8.905 -11.261 8.440 1.00 0.00 C ATOM 349 CH2 TRP A 23 8.072 -12.100 9.201 1.00 0.00 C ATOM 0 H TRP A 23 7.738 -5.509 11.248 1.00 0.00 H new ATOM 0 HA TRP A 23 9.489 -5.427 9.023 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.527 -7.226 10.004 1.00 0.00 H new ATOM 0 HB3 TRP A 23 9.809 -6.401 11.373 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.159 -7.715 12.846 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.100 -10.061 12.836 1.00 0.00 H new ATOM 0 HE3 TRP A 23 9.900 -9.355 8.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.964 -12.306 11.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 9.274 -11.598 7.483 1.00 0.00 H new ATOM 0 HH2 TRP A 23 7.796 -13.074 8.826 1.00 0.00 H new ATOM 360 N LYS A 24 6.947 -7.520 8.776 1.00 0.00 N ATOM 361 CA LYS A 24 6.230 -8.436 7.908 1.00 0.00 C ATOM 362 C LYS A 24 5.649 -7.666 6.744 1.00 0.00 C ATOM 363 O LYS A 24 5.953 -7.948 5.591 1.00 0.00 O ATOM 364 CB LYS A 24 5.132 -9.152 8.703 1.00 0.00 C ATOM 365 CG LYS A 24 4.639 -10.393 7.953 1.00 0.00 C ATOM 366 CD LYS A 24 3.688 -11.240 8.806 1.00 0.00 C ATOM 367 CE LYS A 24 2.473 -10.432 9.272 1.00 0.00 C ATOM 368 NZ LYS A 24 1.469 -11.289 9.926 1.00 0.00 N ATOM 0 H LYS A 24 6.511 -7.404 9.691 1.00 0.00 H new ATOM 0 HA LYS A 24 6.911 -9.192 7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.515 -9.441 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.299 -8.471 8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.130 -10.086 7.039 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.494 -10.999 7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.352 -12.102 8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.223 -11.626 9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.796 -9.655 9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.021 -9.928 8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.661 -10.708 10.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.143 -12.015 9.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.894 -11.750 10.756 1.00 0.00 H new ATOM 382 N GLN A 25 4.845 -6.670 7.103 1.00 0.00 N ATOM 383 CA GLN A 25 4.264 -5.641 6.273 1.00 0.00 C ATOM 384 C GLN A 25 5.205 -5.234 5.141 1.00 0.00 C ATOM 385 O GLN A 25 4.861 -5.371 3.971 1.00 0.00 O ATOM 386 CB GLN A 25 3.991 -4.501 7.248 1.00 0.00 C ATOM 387 CG GLN A 25 3.151 -3.345 6.731 1.00 0.00 C ATOM 388 CD GLN A 25 2.903 -2.367 7.875 1.00 0.00 C ATOM 389 OE1 GLN A 25 3.134 -1.167 7.736 1.00 0.00 O ATOM 390 NE2 GLN A 25 2.458 -2.883 9.025 1.00 0.00 N ATOM 0 H GLN A 25 4.562 -6.560 8.077 1.00 0.00 H new ATOM 0 HA GLN A 25 3.358 -5.967 5.762 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.495 -4.916 8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.949 -4.102 7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.664 -2.843 5.910 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.204 -3.713 6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.279 -3.884 9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.298 -2.275 9.828 1.00 0.00 H new ATOM 399 N GLN A 26 6.409 -4.764 5.478 1.00 0.00 N ATOM 400 CA GLN A 26 7.332 -4.248 4.483 1.00 0.00 C ATOM 401 C GLN A 26 7.938 -5.397 3.672 1.00 0.00 C ATOM 402 O GLN A 26 8.127 -5.253 2.465 1.00 0.00 O ATOM 403 CB GLN A 26 8.386 -3.383 5.187 1.00 0.00 C ATOM 404 CG GLN A 26 8.389 -1.941 4.663 1.00 0.00 C ATOM 405 CD GLN A 26 9.550 -1.669 3.712 1.00 0.00 C ATOM 406 OE1 GLN A 26 9.353 -1.522 2.507 1.00 0.00 O ATOM 407 NE2 GLN A 26 10.766 -1.589 4.257 1.00 0.00 N ATOM 0 H GLN A 26 6.761 -4.733 6.435 1.00 0.00 H new ATOM 0 HA GLN A 26 6.810 -3.615 3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.194 -3.379 6.260 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.372 -3.824 5.042 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.448 -1.742 4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.444 -1.252 5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.884 -1.718 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.577 -1.399 3.668 1.00 0.00 H new ATOM 416 N ASN A 27 8.196 -6.546 4.314 1.00 0.00 N ATOM 417 CA ASN A 27 8.631 -7.760 3.641 1.00 0.00 C ATOM 418 C ASN A 27 7.614 -8.234 2.594 1.00 0.00 C ATOM 419 O ASN A 27 8.035 -8.773 1.577 1.00 0.00 O ATOM 420 CB ASN A 27 8.965 -8.854 4.664 1.00 0.00 C ATOM 421 CG ASN A 27 9.457 -10.128 3.981 1.00 0.00 C ATOM 422 OD1 ASN A 27 10.598 -10.192 3.529 1.00 0.00 O ATOM 423 ND2 ASN A 27 8.597 -11.146 3.901 1.00 0.00 N ATOM 0 H ASN A 27 8.105 -6.651 5.325 1.00 0.00 H new ATOM 0 HA ASN A 27 9.544 -7.530 3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.729 -8.490 5.351 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.081 -9.078 5.260 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.879 -12.017 3.452 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.658 -11.052 4.289 1.00 0.00 H new ATOM 430 N LEU A 28 6.302 -8.023 2.796 1.00 0.00 N ATOM 431 CA LEU A 28 5.290 -8.382 1.800 1.00 0.00 C ATOM 432 C LEU A 28 5.569 -7.672 0.475 1.00 0.00 C ATOM 433 O LEU A 28 5.499 -8.281 -0.588 1.00 0.00 O ATOM 434 CB LEU A 28 3.858 -8.020 2.245 1.00 0.00 C ATOM 435 CG LEU A 28 3.392 -8.483 3.630 1.00 0.00 C ATOM 436 CD1 LEU A 28 1.911 -8.173 3.862 1.00 0.00 C ATOM 437 CD2 LEU A 28 3.603 -9.976 3.804 1.00 0.00 C ATOM 0 H LEU A 28 5.921 -7.604 3.644 1.00 0.00 H new ATOM 0 HA LEU A 28 5.353 -9.464 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.761 -6.935 2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.167 -8.428 1.507 1.00 0.00 H new ATOM 0 HG LEU A 28 3.991 -7.936 4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.619 -8.516 4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.748 -7.098 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.310 -8.684 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.264 -10.278 4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.034 -10.515 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.662 -10.209 3.696 1.00 0.00 H new ATOM 449 N LYS A 29 5.845 -6.369 0.555 1.00 0.00 N ATOM 450 CA LYS A 29 6.034 -5.480 -0.580 1.00 0.00 C ATOM 451 C LYS A 29 7.413 -5.696 -1.211 1.00 0.00 C ATOM 452 O LYS A 29 7.555 -5.623 -2.431 1.00 0.00 O ATOM 453 CB LYS A 29 5.848 -4.054 -0.041 1.00 0.00 C ATOM 454 CG LYS A 29 5.726 -2.972 -1.115 1.00 0.00 C ATOM 455 CD LYS A 29 5.245 -1.640 -0.519 1.00 0.00 C ATOM 456 CE LYS A 29 6.055 -1.153 0.692 1.00 0.00 C ATOM 457 NZ LYS A 29 7.479 -0.956 0.374 1.00 0.00 N ATOM 0 H LYS A 29 5.946 -5.891 1.450 1.00 0.00 H new ATOM 0 HA LYS A 29 5.316 -5.675 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.954 -4.030 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.692 -3.812 0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.692 -2.828 -1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.029 -3.300 -1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.281 -0.875 -1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.201 -1.745 -0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.634 -0.215 1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.963 -1.877 1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.046 -1.064 1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.779 -1.663 -0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.619 -0.002 -0.015 1.00 0.00 H new ATOM 471 N LYS A 30 8.420 -5.975 -0.374 1.00 0.00 N ATOM 472 CA LYS A 30 9.800 -6.173 -0.797 1.00 0.00 C ATOM 473 C LYS A 30 10.009 -7.536 -1.458 1.00 0.00 C ATOM 474 O LYS A 30 10.674 -7.604 -2.490 1.00 0.00 O ATOM 475 CB LYS A 30 10.747 -5.956 0.393 1.00 0.00 C ATOM 476 CG LYS A 30 11.067 -4.462 0.504 1.00 0.00 C ATOM 477 CD LYS A 30 11.986 -4.149 1.689 1.00 0.00 C ATOM 478 CE LYS A 30 12.744 -2.833 1.472 1.00 0.00 C ATOM 479 NZ LYS A 30 11.866 -1.737 1.020 1.00 0.00 N ATOM 0 H LYS A 30 8.290 -6.070 0.633 1.00 0.00 H new ATOM 0 HA LYS A 30 10.034 -5.432 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.284 -6.312 1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.664 -6.529 0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.540 -4.125 -0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.138 -3.901 0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.396 -4.085 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.698 -4.963 1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.232 -2.542 2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.531 -2.990 0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.353 -0.827 1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.636 -1.869 0.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.989 -1.741 1.579 1.00 0.00 H new ATOM 493 N GLU A 31 9.444 -8.614 -0.900 1.00 0.00 N ATOM 494 CA GLU A 31 9.537 -9.942 -1.502 1.00 0.00 C ATOM 495 C GLU A 31 8.800 -9.980 -2.846 1.00 0.00 C ATOM 496 O GLU A 31 9.232 -10.668 -3.768 1.00 0.00 O ATOM 497 CB GLU A 31 9.052 -11.027 -0.525 1.00 0.00 C ATOM 498 CG GLU A 31 7.529 -11.180 -0.437 1.00 0.00 C ATOM 499 CD GLU A 31 7.135 -12.145 0.678 1.00 0.00 C ATOM 500 OE1 GLU A 31 6.430 -11.750 1.603 1.00 0.00 O ATOM 501 OE2 GLU A 31 7.607 -13.419 0.558 1.00 0.00 O ATOM 0 H GLU A 31 8.916 -8.588 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 31 10.585 -10.160 -1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.482 -11.983 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.438 -10.800 0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.073 -10.207 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.142 -11.543 -1.389 1.00 0.00 H new ATOM 509 N LYS A 32 7.714 -9.203 -2.965 1.00 0.00 N ATOM 510 CA LYS A 32 6.989 -8.988 -4.210 1.00 0.00 C ATOM 511 C LYS A 32 7.751 -8.080 -5.185 1.00 0.00 C ATOM 512 O LYS A 32 7.332 -7.947 -6.334 1.00 0.00 O ATOM 513 CB LYS A 32 5.600 -8.420 -3.879 1.00 0.00 C ATOM 514 CG LYS A 32 4.701 -9.534 -3.335 1.00 0.00 C ATOM 515 CD LYS A 32 3.320 -8.975 -2.976 1.00 0.00 C ATOM 516 CE LYS A 32 2.448 -10.038 -2.301 1.00 0.00 C ATOM 517 NZ LYS A 32 2.974 -10.419 -0.976 1.00 0.00 N ATOM 0 H LYS A 32 7.312 -8.698 -2.175 1.00 0.00 H new ATOM 0 HA LYS A 32 6.883 -9.945 -4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.690 -7.621 -3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.153 -7.983 -4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.599 -10.324 -4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.159 -9.983 -2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.433 -8.119 -2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.825 -8.615 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.432 -9.659 -2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.393 -10.921 -2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.272 -11.415 -0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.789 -9.818 -0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.232 -10.293 -0.258 1.00 0.00 H new ATOM 531 N GLY A 33 8.866 -7.470 -4.760 1.00 0.00 N ATOM 532 CA GLY A 33 9.731 -6.686 -5.631 1.00 0.00 C ATOM 533 C GLY A 33 9.124 -5.339 -6.022 1.00 0.00 C ATOM 534 O GLY A 33 9.564 -4.740 -7.001 1.00 0.00 O ATOM 0 H GLY A 33 9.189 -7.511 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.684 -6.517 -5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.943 -7.258 -6.534 1.00 0.00 H new ATOM 538 N LEU A 34 8.105 -4.872 -5.289 1.00 0.00 N ATOM 539 CA LEU A 34 7.396 -3.642 -5.602 1.00 0.00 C ATOM 540 C LEU A 34 8.252 -2.452 -5.165 1.00 0.00 C ATOM 541 O LEU A 34 8.738 -1.696 -6.003 1.00 0.00 O ATOM 542 CB LEU A 34 6.020 -3.644 -4.917 1.00 0.00 C ATOM 543 CG LEU A 34 5.154 -4.868 -5.260 1.00 0.00 C ATOM 544 CD1 LEU A 34 3.893 -4.861 -4.390 1.00 0.00 C ATOM 545 CD2 LEU A 34 4.754 -4.900 -6.737 1.00 0.00 C ATOM 0 H LEU A 34 7.753 -5.347 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 34 7.224 -3.563 -6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.163 -3.604 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.482 -2.740 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 34 5.750 -5.759 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.279 -5.728 -4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.176 -4.900 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.325 -3.950 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.144 -5.782 -6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.183 -4.004 -6.979 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.650 -4.937 -7.356 1.00 0.00 H new ATOM 557 N PHE A 35 8.440 -2.310 -3.848 1.00 0.00 N ATOM 558 CA PHE A 35 9.252 -1.278 -3.218 1.00 0.00 C ATOM 559 C PHE A 35 9.826 -1.831 -1.913 1.00 0.00 C ATOM 560 O PHE A 35 10.994 -1.507 -1.610 1.00 0.00 O ATOM 561 CB PHE A 35 8.402 -0.031 -2.939 1.00 0.00 C ATOM 562 CG PHE A 35 8.066 0.800 -4.162 1.00 0.00 C ATOM 563 CD1 PHE A 35 8.947 1.815 -4.582 1.00 0.00 C ATOM 564 CD2 PHE A 35 6.880 0.565 -4.883 1.00 0.00 C ATOM 565 CE1 PHE A 35 8.641 2.593 -5.712 1.00 0.00 C ATOM 566 CE2 PHE A 35 6.589 1.327 -6.027 1.00 0.00 C ATOM 567 CZ PHE A 35 7.459 2.352 -6.432 1.00 0.00 C ATOM 568 OXT PHE A 35 9.080 -2.550 -1.214 1.00 0.00 O ATOM 0 H PHE A 35 8.011 -2.939 -3.170 1.00 0.00 H new ATOM 0 HA PHE A 35 10.066 -0.993 -3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.472 -0.342 -2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 35 8.931 0.599 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 35 9.860 1.996 -4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.193 -0.202 -4.556 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.315 3.376 -6.027 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.694 1.124 -6.596 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.220 2.954 -7.296 1.00 0.00 H new TER 578 PHE A 35