USER MOD reduce.3.24.130724 H: found=0, std=0, add=268, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 272 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 7 THR OG1 : rot -82:sc= 0.605 USER MOD Single : A 8 GLN : amide:sc= 0.593 K(o=0.59,f=0) USER MOD Single : A 12 MET CE :methyl 180:sc=-0.00459 (180deg=-0.00459) USER MOD Single : A 13 THR OG1 : rot 124:sc= 0.251 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= -0.626 K(o=-0.63,f=-5.6!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0.166 X(o=0.17,f=-0.0026) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= 0.781 (180deg=0.448) USER MOD Single : A 30 LYS NZ :NH3+ 157:sc= 1.06 (180deg=-0.021) USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00212) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 0.105 5.728 -0.017 1.00 0.00 N ATOM 38 CA ILE A 3 -1.208 5.115 -0.037 1.00 0.00 C ATOM 39 C ILE A 3 -1.692 4.868 -1.472 1.00 0.00 C ATOM 40 O ILE A 3 -2.264 3.817 -1.756 1.00 0.00 O ATOM 41 CB ILE A 3 -2.125 6.064 0.758 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.294 5.467 2.157 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.537 6.200 0.160 1.00 0.00 C ATOM 44 CD1 ILE A 3 -0.995 5.474 2.971 1.00 0.00 C ATOM 0 HA ILE A 3 -1.203 4.125 0.420 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.660 7.050 0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.057 6.028 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.655 4.442 2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.127 6.883 0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.466 6.591 -0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.019 5.223 0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.179 5.038 3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.236 4.889 2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.645 6.500 3.089 1.00 0.00 H new ATOM 56 N GLU A 4 -1.476 5.834 -2.373 1.00 0.00 N ATOM 57 CA GLU A 4 -1.997 5.782 -3.730 1.00 0.00 C ATOM 58 C GLU A 4 -1.352 4.688 -4.574 1.00 0.00 C ATOM 59 O GLU A 4 -2.057 3.892 -5.194 1.00 0.00 O ATOM 60 CB GLU A 4 -1.892 7.168 -4.384 1.00 0.00 C ATOM 61 CG GLU A 4 -2.816 7.341 -5.597 1.00 0.00 C ATOM 62 CD GLU A 4 -4.282 7.059 -5.282 1.00 0.00 C ATOM 63 OE1 GLU A 4 -4.937 7.893 -4.662 1.00 0.00 O ATOM 64 OE2 GLU A 4 -4.767 5.861 -5.721 1.00 0.00 O ATOM 0 H GLU A 4 -0.932 6.674 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.051 5.508 -3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.131 7.930 -3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.861 7.338 -4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.722 8.359 -5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.488 6.674 -6.394 1.00 0.00 H new ATOM 72 N ASP A 5 -0.018 4.633 -4.591 1.00 0.00 N ATOM 73 CA ASP A 5 0.689 3.554 -5.260 1.00 0.00 C ATOM 74 C ASP A 5 0.348 2.222 -4.595 1.00 0.00 C ATOM 75 O ASP A 5 0.118 1.238 -5.291 1.00 0.00 O ATOM 76 CB ASP A 5 2.195 3.821 -5.237 1.00 0.00 C ATOM 77 CG ASP A 5 2.971 2.714 -5.947 1.00 0.00 C ATOM 78 OD1 ASP A 5 3.289 1.706 -5.322 1.00 0.00 O ATOM 79 OD2 ASP A 5 3.260 2.931 -7.261 1.00 0.00 O ATOM 0 H ASP A 5 0.587 5.324 -4.148 1.00 0.00 H new ATOM 0 HA ASP A 5 0.375 3.503 -6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 5 2.403 4.778 -5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.536 3.901 -4.205 1.00 0.00 H new ATOM 85 N PHE A 6 0.302 2.198 -3.257 1.00 0.00 N ATOM 86 CA PHE A 6 0.008 0.998 -2.489 1.00 0.00 C ATOM 87 C PHE A 6 -1.311 0.350 -2.907 1.00 0.00 C ATOM 88 O PHE A 6 -1.322 -0.816 -3.289 1.00 0.00 O ATOM 89 CB PHE A 6 0.020 1.303 -0.988 1.00 0.00 C ATOM 90 CG PHE A 6 -0.174 0.037 -0.186 1.00 0.00 C ATOM 91 CD1 PHE A 6 0.918 -0.808 0.083 1.00 0.00 C ATOM 92 CD2 PHE A 6 -1.425 -0.236 0.390 1.00 0.00 C ATOM 93 CE1 PHE A 6 0.819 -1.769 1.103 1.00 0.00 C ATOM 94 CE2 PHE A 6 -1.519 -1.190 1.411 1.00 0.00 C ATOM 95 CZ PHE A 6 -0.378 -1.897 1.823 1.00 0.00 C ATOM 0 H PHE A 6 0.470 3.022 -2.679 1.00 0.00 H new ATOM 0 HA PHE A 6 0.795 0.275 -2.704 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.965 1.772 -0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.770 2.015 -0.750 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.828 -0.718 -0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.307 0.285 0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.660 -2.406 1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.471 -1.382 1.883 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.422 -2.537 2.692 1.00 0.00 H new ATOM 105 N THR A 7 -2.425 1.084 -2.829 1.00 0.00 N ATOM 106 CA THR A 7 -3.740 0.567 -3.144 1.00 0.00 C ATOM 107 C THR A 7 -3.775 -0.047 -4.543 1.00 0.00 C ATOM 108 O THR A 7 -4.279 -1.154 -4.712 1.00 0.00 O ATOM 109 CB THR A 7 -4.764 1.699 -3.001 1.00 0.00 C ATOM 110 OG1 THR A 7 -4.303 2.904 -3.579 1.00 0.00 O ATOM 111 CG2 THR A 7 -5.130 1.926 -1.534 1.00 0.00 C ATOM 0 H THR A 7 -2.428 2.063 -2.541 1.00 0.00 H new ATOM 0 HA THR A 7 -3.991 -0.233 -2.447 1.00 0.00 H new ATOM 0 HB THR A 7 -5.657 1.388 -3.543 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.706 3.361 -2.950 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.858 2.734 -1.461 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.559 1.013 -1.121 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.235 2.193 -0.973 1.00 0.00 H new ATOM 119 N GLN A 8 -3.227 0.662 -5.535 1.00 0.00 N ATOM 120 CA GLN A 8 -3.265 0.235 -6.923 1.00 0.00 C ATOM 121 C GLN A 8 -2.351 -0.965 -7.169 1.00 0.00 C ATOM 122 O GLN A 8 -2.808 -2.013 -7.620 1.00 0.00 O ATOM 123 CB GLN A 8 -2.893 1.417 -7.828 1.00 0.00 C ATOM 124 CG GLN A 8 -3.940 2.535 -7.750 1.00 0.00 C ATOM 125 CD GLN A 8 -3.502 3.752 -8.559 1.00 0.00 C ATOM 126 OE1 GLN A 8 -4.031 4.013 -9.636 1.00 0.00 O ATOM 127 NE2 GLN A 8 -2.527 4.500 -8.038 1.00 0.00 N ATOM 0 H GLN A 8 -2.745 1.549 -5.390 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.277 -0.091 -7.162 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.919 1.808 -7.535 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.802 1.073 -8.858 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.896 2.170 -8.125 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.094 2.822 -6.710 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.115 4.247 -7.140 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.194 5.324 -8.538 1.00 0.00 H new ATOM 136 N ALA A 9 -1.056 -0.798 -6.891 1.00 0.00 N ATOM 137 CA ALA A 9 -0.024 -1.773 -7.211 1.00 0.00 C ATOM 138 C ALA A 9 -0.147 -3.040 -6.364 1.00 0.00 C ATOM 139 O ALA A 9 0.165 -4.127 -6.850 1.00 0.00 O ATOM 140 CB ALA A 9 1.352 -1.126 -7.039 1.00 0.00 C ATOM 0 H ALA A 9 -0.694 0.036 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.152 -2.082 -8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.128 -1.853 -7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.438 -0.270 -7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.471 -0.793 -6.008 1.00 0.00 H new ATOM 146 N PHE A 10 -0.586 -2.910 -5.104 1.00 0.00 N ATOM 147 CA PHE A 10 -0.683 -4.036 -4.180 1.00 0.00 C ATOM 148 C PHE A 10 -2.050 -4.703 -4.294 1.00 0.00 C ATOM 149 O PHE A 10 -2.141 -5.930 -4.271 1.00 0.00 O ATOM 150 CB PHE A 10 -0.408 -3.598 -2.733 1.00 0.00 C ATOM 151 CG PHE A 10 0.361 -4.628 -1.928 1.00 0.00 C ATOM 152 CD1 PHE A 10 -0.264 -5.809 -1.486 1.00 0.00 C ATOM 153 CD2 PHE A 10 1.720 -4.410 -1.636 1.00 0.00 C ATOM 154 CE1 PHE A 10 0.492 -6.804 -0.841 1.00 0.00 C ATOM 155 CE2 PHE A 10 2.462 -5.385 -0.958 1.00 0.00 C ATOM 156 CZ PHE A 10 1.864 -6.604 -0.607 1.00 0.00 C ATOM 0 H PHE A 10 -0.882 -2.020 -4.702 1.00 0.00 H new ATOM 0 HA PHE A 10 0.081 -4.763 -4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.153 -2.664 -2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.357 -3.394 -2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.323 -5.951 -1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.193 -3.487 -1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.019 -7.722 -0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.495 -5.198 -0.705 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.456 -7.388 -0.158 1.00 0.00 H new ATOM 166 N GLY A 11 -3.108 -3.891 -4.395 1.00 0.00 N ATOM 167 CA GLY A 11 -4.479 -4.371 -4.432 1.00 0.00 C ATOM 168 C GLY A 11 -5.024 -4.666 -3.033 1.00 0.00 C ATOM 169 O GLY A 11 -5.908 -5.509 -2.904 1.00 0.00 O ATOM 0 H GLY A 11 -3.028 -2.876 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.110 -3.626 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.530 -5.275 -5.038 1.00 0.00 H new ATOM 173 N MET A 12 -4.502 -3.995 -1.991 1.00 0.00 N ATOM 174 CA MET A 12 -4.973 -4.155 -0.617 1.00 0.00 C ATOM 175 C MET A 12 -5.184 -2.797 0.050 1.00 0.00 C ATOM 176 O MET A 12 -4.764 -1.757 -0.453 1.00 0.00 O ATOM 177 CB MET A 12 -3.996 -5.050 0.164 1.00 0.00 C ATOM 178 CG MET A 12 -4.484 -5.497 1.547 1.00 0.00 C ATOM 179 SD MET A 12 -3.857 -7.104 2.106 1.00 0.00 S ATOM 180 CE MET A 12 -2.179 -6.643 2.583 1.00 0.00 C ATOM 0 H MET A 12 -3.739 -3.325 -2.086 1.00 0.00 H new ATOM 0 HA MET A 12 -5.945 -4.649 -0.622 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.784 -5.937 -0.433 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.054 -4.514 0.284 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.199 -4.740 2.277 1.00 0.00 H new ATOM 0 HG3 MET A 12 -5.573 -5.534 1.536 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.651 -7.522 2.952 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.652 -6.240 1.718 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.218 -5.887 3.368 1.00 0.00 H new ATOM 190 N THR A 13 -5.859 -2.841 1.200 1.00 0.00 N ATOM 191 CA THR A 13 -6.163 -1.708 2.058 1.00 0.00 C ATOM 192 C THR A 13 -4.931 -1.267 2.854 1.00 0.00 C ATOM 193 O THR A 13 -4.235 -2.111 3.416 1.00 0.00 O ATOM 194 CB THR A 13 -7.366 -2.000 2.986 1.00 0.00 C ATOM 195 OG1 THR A 13 -7.154 -1.507 4.286 1.00 0.00 O ATOM 196 CG2 THR A 13 -7.714 -3.483 3.160 1.00 0.00 C ATOM 0 H THR A 13 -6.225 -3.717 1.572 1.00 0.00 H new ATOM 0 HA THR A 13 -6.451 -0.878 1.413 1.00 0.00 H new ATOM 0 HB THR A 13 -8.187 -1.499 2.473 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.885 -0.901 4.529 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.570 -3.580 3.828 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.960 -3.915 2.190 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.860 -4.010 3.586 1.00 0.00 H new ATOM 204 N PRO A 14 -4.680 0.050 2.956 1.00 0.00 N ATOM 205 CA PRO A 14 -3.696 0.600 3.869 1.00 0.00 C ATOM 206 C PRO A 14 -3.990 0.241 5.324 1.00 0.00 C ATOM 207 O PRO A 14 -3.067 0.284 6.128 1.00 0.00 O ATOM 208 CB PRO A 14 -3.744 2.120 3.683 1.00 0.00 C ATOM 209 CG PRO A 14 -4.315 2.292 2.280 1.00 0.00 C ATOM 210 CD PRO A 14 -5.274 1.112 2.162 1.00 0.00 C ATOM 0 HA PRO A 14 -2.711 0.188 3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.375 2.596 4.434 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.753 2.566 3.770 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.830 3.246 2.167 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.536 2.258 1.519 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.265 1.373 2.533 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.394 0.806 1.123 1.00 0.00 H new ATOM 218 N ALA A 15 -5.238 -0.106 5.684 1.00 0.00 N ATOM 219 CA ALA A 15 -5.537 -0.504 7.057 1.00 0.00 C ATOM 220 C ALA A 15 -4.897 -1.861 7.352 1.00 0.00 C ATOM 221 O ALA A 15 -4.187 -2.009 8.347 1.00 0.00 O ATOM 222 CB ALA A 15 -7.046 -0.518 7.318 1.00 0.00 C ATOM 0 H ALA A 15 -6.038 -0.117 5.051 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.110 0.232 7.738 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.234 -0.818 8.349 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.454 0.479 7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.526 -1.225 6.641 1.00 0.00 H new ATOM 228 N ALA A 16 -5.106 -2.835 6.454 1.00 0.00 N ATOM 229 CA ALA A 16 -4.408 -4.114 6.500 1.00 0.00 C ATOM 230 C ALA A 16 -2.896 -3.885 6.495 1.00 0.00 C ATOM 231 O ALA A 16 -2.182 -4.478 7.302 1.00 0.00 O ATOM 232 CB ALA A 16 -4.822 -4.983 5.310 1.00 0.00 C ATOM 0 H ALA A 16 -5.764 -2.752 5.679 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.679 -4.634 7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.295 -5.936 5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.897 -5.161 5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.570 -4.472 4.381 1.00 0.00 H new ATOM 238 N PHE A 17 -2.419 -2.995 5.614 1.00 0.00 N ATOM 239 CA PHE A 17 -1.005 -2.657 5.487 1.00 0.00 C ATOM 240 C PHE A 17 -0.567 -1.537 6.429 1.00 0.00 C ATOM 241 O PHE A 17 0.385 -0.817 6.137 1.00 0.00 O ATOM 242 CB PHE A 17 -0.692 -2.312 4.033 1.00 0.00 C ATOM 243 CG PHE A 17 0.601 -2.928 3.541 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.595 -4.271 3.133 1.00 0.00 C ATOM 245 CD2 PHE A 17 1.792 -2.181 3.468 1.00 0.00 C ATOM 246 CE1 PHE A 17 1.726 -4.830 2.527 1.00 0.00 C ATOM 247 CE2 PHE A 17 2.957 -2.774 2.947 1.00 0.00 C ATOM 248 CZ PHE A 17 2.919 -4.098 2.471 1.00 0.00 C ATOM 0 H PHE A 17 -3.017 -2.486 4.963 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.430 -3.533 5.787 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.513 -2.651 3.401 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.635 -1.229 3.927 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.286 -4.876 3.287 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.812 -1.157 3.810 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.679 -5.823 2.104 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.880 -2.214 2.912 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.811 -4.550 2.062 1.00 0.00 H new ATOM 258 N SER A 18 -1.271 -1.400 7.553 1.00 0.00 N ATOM 259 CA SER A 18 -0.889 -0.559 8.685 1.00 0.00 C ATOM 260 C SER A 18 -0.804 -1.410 9.950 1.00 0.00 C ATOM 261 O SER A 18 0.143 -1.263 10.722 1.00 0.00 O ATOM 262 CB SER A 18 -1.859 0.616 8.856 1.00 0.00 C ATOM 263 OG SER A 18 -1.518 1.373 9.998 1.00 0.00 O ATOM 0 H SER A 18 -2.153 -1.889 7.704 1.00 0.00 H new ATOM 0 HA SER A 18 0.094 -0.129 8.491 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.832 1.250 7.970 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.879 0.243 8.950 1.00 0.00 H new ATOM 0 HG SER A 18 -2.144 2.120 10.094 1.00 0.00 H new ATOM 269 N ALA A 19 -1.775 -2.311 10.144 1.00 0.00 N ATOM 270 CA ALA A 19 -1.907 -3.159 11.322 1.00 0.00 C ATOM 271 C ALA A 19 -0.636 -3.939 11.689 1.00 0.00 C ATOM 272 O ALA A 19 -0.422 -4.222 12.866 1.00 0.00 O ATOM 273 CB ALA A 19 -3.072 -4.129 11.099 1.00 0.00 C ATOM 0 H ALA A 19 -2.513 -2.471 9.458 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.094 -2.497 12.168 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.183 -4.771 11.973 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.991 -3.564 10.944 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.871 -4.743 10.221 1.00 0.00 H new ATOM 279 N LEU A 20 0.189 -4.316 10.703 1.00 0.00 N ATOM 280 CA LEU A 20 1.326 -5.209 10.929 1.00 0.00 C ATOM 281 C LEU A 20 2.532 -4.419 11.456 1.00 0.00 C ATOM 282 O LEU A 20 2.626 -3.220 11.199 1.00 0.00 O ATOM 283 CB LEU A 20 1.719 -5.948 9.634 1.00 0.00 C ATOM 284 CG LEU A 20 0.548 -6.334 8.715 1.00 0.00 C ATOM 285 CD1 LEU A 20 1.104 -6.937 7.424 1.00 0.00 C ATOM 286 CD2 LEU A 20 -0.393 -7.335 9.397 1.00 0.00 C ATOM 0 H LEU A 20 0.086 -4.012 9.735 1.00 0.00 H new ATOM 0 HA LEU A 20 1.025 -5.947 11.673 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.408 -5.319 9.071 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.262 -6.854 9.903 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.029 -5.437 8.491 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.279 -7.213 6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.737 -6.204 6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.692 -7.824 7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.209 -7.586 8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.160 -8.240 9.650 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.799 -6.891 10.306 1.00 0.00 H new ATOM 298 N PRO A 21 3.487 -5.061 12.154 1.00 0.00 N ATOM 299 CA PRO A 21 4.757 -4.436 12.486 1.00 0.00 C ATOM 300 C PRO A 21 5.501 -4.026 11.218 1.00 0.00 C ATOM 301 O PRO A 21 5.439 -4.722 10.205 1.00 0.00 O ATOM 302 CB PRO A 21 5.570 -5.474 13.262 1.00 0.00 C ATOM 303 CG PRO A 21 4.895 -6.804 12.925 1.00 0.00 C ATOM 304 CD PRO A 21 3.439 -6.414 12.677 1.00 0.00 C ATOM 0 HA PRO A 21 4.601 -3.535 13.079 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.617 -5.470 12.957 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.549 -5.277 14.334 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.341 -7.269 12.046 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.985 -7.518 13.743 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.966 -7.093 11.968 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.858 -6.459 13.598 1.00 0.00 H new ATOM 312 N ARG A 22 6.214 -2.897 11.306 1.00 0.00 N ATOM 313 CA ARG A 22 6.984 -2.296 10.230 1.00 0.00 C ATOM 314 C ARG A 22 7.833 -3.321 9.486 1.00 0.00 C ATOM 315 O ARG A 22 7.800 -3.349 8.257 1.00 0.00 O ATOM 316 CB ARG A 22 7.843 -1.167 10.813 1.00 0.00 C ATOM 317 CG ARG A 22 8.792 -0.499 9.807 1.00 0.00 C ATOM 318 CD ARG A 22 8.123 0.010 8.524 1.00 0.00 C ATOM 319 NE ARG A 22 6.901 0.774 8.817 1.00 0.00 N ATOM 320 CZ ARG A 22 5.721 0.640 8.187 1.00 0.00 C ATOM 321 NH1 ARG A 22 5.601 -0.105 7.079 1.00 0.00 N ATOM 322 NH2 ARG A 22 4.637 1.251 8.680 1.00 0.00 N ATOM 0 H ARG A 22 6.267 -2.360 12.171 1.00 0.00 H new ATOM 0 HA ARG A 22 6.297 -1.887 9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.184 -0.406 11.231 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.433 -1.566 11.638 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.286 0.339 10.298 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.570 -1.213 9.535 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.822 0.639 7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.879 -0.835 7.880 1.00 0.00 H new ATOM 0 HE ARG A 22 6.953 1.467 9.564 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.416 -0.585 6.697 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.695 -0.192 6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.710 1.813 9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.738 1.154 8.208 1.00 0.00 H new ATOM 336 N TRP A 23 8.583 -4.156 10.215 1.00 0.00 N ATOM 337 CA TRP A 23 9.499 -5.100 9.587 1.00 0.00 C ATOM 338 C TRP A 23 8.746 -6.017 8.622 1.00 0.00 C ATOM 339 O TRP A 23 9.178 -6.213 7.487 1.00 0.00 O ATOM 340 CB TRP A 23 10.291 -5.887 10.642 1.00 0.00 C ATOM 341 CG TRP A 23 9.598 -7.080 11.234 1.00 0.00 C ATOM 342 CD1 TRP A 23 8.935 -7.095 12.410 1.00 0.00 C ATOM 343 CD2 TRP A 23 9.453 -8.426 10.684 1.00 0.00 C ATOM 344 NE1 TRP A 23 8.364 -8.333 12.618 1.00 0.00 N ATOM 345 CE2 TRP A 23 8.640 -9.190 11.572 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.882 -9.066 9.499 1.00 0.00 C ATOM 347 CZ2 TRP A 23 8.272 -10.517 11.300 1.00 0.00 C ATOM 348 CZ3 TRP A 23 9.513 -10.394 9.214 1.00 0.00 C ATOM 349 CH2 TRP A 23 8.709 -11.119 10.110 1.00 0.00 C ATOM 0 H TRP A 23 8.570 -4.193 11.234 1.00 0.00 H new ATOM 0 HA TRP A 23 10.228 -4.541 9.001 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.225 -6.222 10.191 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.554 -5.206 11.452 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.862 -6.259 13.089 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.810 -8.583 13.437 1.00 0.00 H new ATOM 0 HE3 TRP A 23 10.504 -8.527 8.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.660 -11.068 11.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 9.850 -10.859 8.300 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.428 -12.137 9.883 1.00 0.00 H new ATOM 360 N LYS A 24 7.611 -6.560 9.079 1.00 0.00 N ATOM 361 CA LYS A 24 6.850 -7.532 8.325 1.00 0.00 C ATOM 362 C LYS A 24 6.202 -6.851 7.136 1.00 0.00 C ATOM 363 O LYS A 24 6.377 -7.288 6.003 1.00 0.00 O ATOM 364 CB LYS A 24 5.805 -8.210 9.223 1.00 0.00 C ATOM 365 CG LYS A 24 5.347 -9.537 8.602 1.00 0.00 C ATOM 366 CD LYS A 24 4.499 -10.375 9.566 1.00 0.00 C ATOM 367 CE LYS A 24 3.179 -9.685 9.922 1.00 0.00 C ATOM 368 NZ LYS A 24 2.327 -10.546 10.761 1.00 0.00 N ATOM 0 H LYS A 24 7.204 -6.329 9.985 1.00 0.00 H new ATOM 0 HA LYS A 24 7.517 -8.311 7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.228 -8.390 10.211 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.949 -7.549 9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.770 -9.332 7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.221 -10.113 8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.290 -11.345 9.115 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.066 -10.563 10.477 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.385 -8.753 10.448 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.646 -9.424 9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.442 -10.048 10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.110 -11.425 10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.827 -10.774 11.644 1.00 0.00 H new ATOM 382 N GLN A 25 5.484 -5.766 7.426 1.00 0.00 N ATOM 383 CA GLN A 25 4.803 -4.901 6.485 1.00 0.00 C ATOM 384 C GLN A 25 5.686 -4.601 5.275 1.00 0.00 C ATOM 385 O GLN A 25 5.270 -4.813 4.140 1.00 0.00 O ATOM 386 CB GLN A 25 4.401 -3.635 7.243 1.00 0.00 C ATOM 387 CG GLN A 25 3.294 -2.835 6.558 1.00 0.00 C ATOM 388 CD GLN A 25 2.663 -1.883 7.568 1.00 0.00 C ATOM 389 OE1 GLN A 25 2.860 -0.673 7.498 1.00 0.00 O ATOM 390 NE2 GLN A 25 1.916 -2.441 8.523 1.00 0.00 N ATOM 0 H GLN A 25 5.360 -5.455 8.389 1.00 0.00 H new ATOM 0 HA GLN A 25 3.912 -5.385 6.084 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.071 -3.911 8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.278 -2.998 7.360 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.702 -2.274 5.717 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.538 -3.509 6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.781 -3.452 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.480 -1.857 9.236 1.00 0.00 H new ATOM 399 N GLN A 26 6.918 -4.137 5.505 1.00 0.00 N ATOM 400 CA GLN A 26 7.802 -3.737 4.441 1.00 0.00 C ATOM 401 C GLN A 26 8.371 -4.976 3.746 1.00 0.00 C ATOM 402 O GLN A 26 8.492 -4.983 2.523 1.00 0.00 O ATOM 403 CB GLN A 26 8.902 -2.844 5.033 1.00 0.00 C ATOM 404 CG GLN A 26 8.730 -1.465 4.409 1.00 0.00 C ATOM 405 CD GLN A 26 9.887 -0.521 4.720 1.00 0.00 C ATOM 406 OE1 GLN A 26 9.694 0.501 5.374 1.00 0.00 O ATOM 407 NE2 GLN A 26 11.089 -0.855 4.248 1.00 0.00 N ATOM 0 H GLN A 26 7.317 -4.034 6.438 1.00 0.00 H new ATOM 0 HA GLN A 26 7.266 -3.165 3.683 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.815 -2.791 6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.890 -3.248 4.812 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.635 -1.571 3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.801 -1.023 4.769 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.205 -1.713 3.709 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.892 -0.252 4.426 1.00 0.00 H new ATOM 416 N ASN A 27 8.685 -6.032 4.512 1.00 0.00 N ATOM 417 CA ASN A 27 9.090 -7.318 3.965 1.00 0.00 C ATOM 418 C ASN A 27 8.057 -7.869 2.974 1.00 0.00 C ATOM 419 O ASN A 27 8.463 -8.510 2.012 1.00 0.00 O ATOM 420 CB ASN A 27 9.402 -8.314 5.089 1.00 0.00 C ATOM 421 CG ASN A 27 9.737 -9.696 4.530 1.00 0.00 C ATOM 422 OD1 ASN A 27 10.826 -9.907 4.003 1.00 0.00 O ATOM 423 ND2 ASN A 27 8.792 -10.632 4.627 1.00 0.00 N ATOM 0 H ASN A 27 8.662 -6.009 5.531 1.00 0.00 H new ATOM 0 HA ASN A 27 10.008 -7.165 3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.240 -7.946 5.681 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.546 -8.388 5.760 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.960 -11.567 4.255 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.901 -10.413 5.073 1.00 0.00 H new ATOM 430 N LEU A 28 6.752 -7.613 3.164 1.00 0.00 N ATOM 431 CA LEU A 28 5.733 -8.031 2.199 1.00 0.00 C ATOM 432 C LEU A 28 6.026 -7.415 0.831 1.00 0.00 C ATOM 433 O LEU A 28 6.112 -8.118 -0.172 1.00 0.00 O ATOM 434 CB LEU A 28 4.308 -7.632 2.619 1.00 0.00 C ATOM 435 CG LEU A 28 3.894 -7.919 4.065 1.00 0.00 C ATOM 436 CD1 LEU A 28 2.400 -7.661 4.267 1.00 0.00 C ATOM 437 CD2 LEU A 28 4.233 -9.345 4.467 1.00 0.00 C ATOM 0 H LEU A 28 6.383 -7.119 3.977 1.00 0.00 H new ATOM 0 HA LEU A 28 5.778 -9.119 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.191 -6.563 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.607 -8.144 1.960 1.00 0.00 H new ATOM 0 HG LEU A 28 4.458 -7.240 4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.131 -7.872 5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.177 -6.619 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.826 -8.308 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.926 -9.515 5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.709 -10.042 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.308 -9.502 4.378 1.00 0.00 H new ATOM 449 N LYS A 29 6.177 -6.089 0.805 1.00 0.00 N ATOM 450 CA LYS A 29 6.438 -5.310 -0.394 1.00 0.00 C ATOM 451 C LYS A 29 7.746 -5.746 -1.060 1.00 0.00 C ATOM 452 O LYS A 29 7.804 -5.880 -2.282 1.00 0.00 O ATOM 453 CB LYS A 29 6.446 -3.831 0.013 1.00 0.00 C ATOM 454 CG LYS A 29 6.527 -2.895 -1.193 1.00 0.00 C ATOM 455 CD LYS A 29 6.607 -1.427 -0.761 1.00 0.00 C ATOM 456 CE LYS A 29 7.867 -1.135 0.061 1.00 0.00 C ATOM 457 NZ LYS A 29 8.301 0.265 -0.080 1.00 0.00 N ATOM 0 H LYS A 29 6.118 -5.516 1.647 1.00 0.00 H new ATOM 0 HA LYS A 29 5.662 -5.474 -1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.543 -3.609 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.293 -3.643 0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.402 -3.147 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.653 -3.041 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.595 -0.789 -1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.725 -1.174 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.673 -1.351 1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.671 -1.798 -0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.878 0.534 0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.865 0.368 -0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.467 0.883 -0.135 1.00 0.00 H new ATOM 471 N LYS A 30 8.788 -5.970 -0.250 1.00 0.00 N ATOM 472 CA LYS A 30 10.116 -6.330 -0.724 1.00 0.00 C ATOM 473 C LYS A 30 10.145 -7.747 -1.305 1.00 0.00 C ATOM 474 O LYS A 30 10.657 -7.935 -2.407 1.00 0.00 O ATOM 475 CB LYS A 30 11.146 -6.140 0.403 1.00 0.00 C ATOM 476 CG LYS A 30 11.858 -4.783 0.293 1.00 0.00 C ATOM 477 CD LYS A 30 10.918 -3.598 0.547 1.00 0.00 C ATOM 478 CE LYS A 30 11.638 -2.255 0.372 1.00 0.00 C ATOM 479 NZ LYS A 30 12.027 -2.019 -1.031 1.00 0.00 N ATOM 0 H LYS A 30 8.724 -5.904 0.766 1.00 0.00 H new ATOM 0 HA LYS A 30 10.386 -5.662 -1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.647 -6.213 1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.882 -6.943 0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.679 -4.749 1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.296 -4.687 -0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.073 -3.650 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.513 -3.665 1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.988 -1.448 0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.526 -2.234 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.143 -0.998 -1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.925 -2.505 -1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.288 -2.387 -1.663 1.00 0.00 H new ATOM 493 N GLU A 31 9.601 -8.742 -0.592 1.00 0.00 N ATOM 494 CA GLU A 31 9.596 -10.130 -1.047 1.00 0.00 C ATOM 495 C GLU A 31 8.668 -10.314 -2.254 1.00 0.00 C ATOM 496 O GLU A 31 8.963 -11.119 -3.135 1.00 0.00 O ATOM 497 CB GLU A 31 9.266 -11.082 0.114 1.00 0.00 C ATOM 498 CG GLU A 31 7.771 -11.172 0.454 1.00 0.00 C ATOM 499 CD GLU A 31 7.508 -11.876 1.783 1.00 0.00 C ATOM 500 OE1 GLU A 31 8.415 -12.473 2.360 1.00 0.00 O ATOM 501 OE2 GLU A 31 6.232 -11.784 2.255 1.00 0.00 O ATOM 0 H GLU A 31 9.154 -8.603 0.314 1.00 0.00 H new ATOM 0 HA GLU A 31 10.598 -10.389 -1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.630 -12.079 -0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.809 -10.756 1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.350 -10.167 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.253 -11.705 -0.343 1.00 0.00 H new ATOM 509 N LYS A 32 7.577 -9.535 -2.320 1.00 0.00 N ATOM 510 CA LYS A 32 6.721 -9.444 -3.496 1.00 0.00 C ATOM 511 C LYS A 32 7.483 -8.838 -4.683 1.00 0.00 C ATOM 512 O LYS A 32 7.121 -9.091 -5.831 1.00 0.00 O ATOM 513 CB LYS A 32 5.477 -8.617 -3.139 1.00 0.00 C ATOM 514 CG LYS A 32 4.389 -8.627 -4.219 1.00 0.00 C ATOM 515 CD LYS A 32 3.160 -7.868 -3.696 1.00 0.00 C ATOM 516 CE LYS A 32 1.987 -7.882 -4.685 1.00 0.00 C ATOM 517 NZ LYS A 32 1.377 -9.217 -4.805 1.00 0.00 N ATOM 0 H LYS A 32 7.268 -8.947 -1.546 1.00 0.00 H new ATOM 0 HA LYS A 32 6.407 -10.442 -3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.055 -8.998 -2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.780 -7.587 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.760 -8.160 -5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.119 -9.652 -4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.839 -8.311 -2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.439 -6.836 -3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.231 -7.167 -4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.336 -7.554 -5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.579 -9.175 -5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.086 -9.892 -5.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.035 -9.528 -3.873 1.00 0.00 H new ATOM 531 N GLY A 33 8.530 -8.044 -4.416 1.00 0.00 N ATOM 532 CA GLY A 33 9.339 -7.405 -5.442 1.00 0.00 C ATOM 533 C GLY A 33 8.663 -6.153 -5.997 1.00 0.00 C ATOM 534 O GLY A 33 8.998 -5.719 -7.097 1.00 0.00 O ATOM 0 H GLY A 33 8.836 -7.830 -3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.311 -7.140 -5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.521 -8.110 -6.253 1.00 0.00 H new ATOM 538 N LEU A 34 7.682 -5.604 -5.268 1.00 0.00 N ATOM 539 CA LEU A 34 6.821 -4.544 -5.766 1.00 0.00 C ATOM 540 C LEU A 34 7.586 -3.216 -5.816 1.00 0.00 C ATOM 541 O LEU A 34 7.860 -2.712 -6.904 1.00 0.00 O ATOM 542 CB LEU A 34 5.558 -4.486 -4.893 1.00 0.00 C ATOM 543 CG LEU A 34 4.402 -3.734 -5.570 1.00 0.00 C ATOM 544 CD1 LEU A 34 3.693 -4.633 -6.588 1.00 0.00 C ATOM 545 CD2 LEU A 34 3.384 -3.312 -4.510 1.00 0.00 C ATOM 0 H LEU A 34 7.469 -5.890 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 34 6.507 -4.748 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.237 -5.501 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.797 -4.000 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 34 4.811 -2.863 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.878 -4.081 -7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.403 -4.948 -7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.293 -5.511 -6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.562 -2.778 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.997 -4.197 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.866 -2.660 -3.782 1.00 0.00 H new ATOM 557 N PHE A 35 7.942 -2.674 -4.645 1.00 0.00 N ATOM 558 CA PHE A 35 8.755 -1.473 -4.478 1.00 0.00 C ATOM 559 C PHE A 35 9.483 -1.557 -3.131 1.00 0.00 C ATOM 560 O PHE A 35 9.625 -0.508 -2.466 1.00 0.00 O ATOM 561 CB PHE A 35 7.886 -0.205 -4.560 1.00 0.00 C ATOM 562 CG PHE A 35 7.181 0.029 -5.883 1.00 0.00 C ATOM 563 CD1 PHE A 35 7.905 0.509 -6.989 1.00 0.00 C ATOM 564 CD2 PHE A 35 5.806 -0.237 -6.011 1.00 0.00 C ATOM 565 CE1 PHE A 35 7.259 0.713 -8.221 1.00 0.00 C ATOM 566 CE2 PHE A 35 5.161 -0.042 -7.245 1.00 0.00 C ATOM 567 CZ PHE A 35 5.887 0.436 -8.349 1.00 0.00 C ATOM 568 OXT PHE A 35 9.893 -2.681 -2.763 1.00 0.00 O ATOM 0 H PHE A 35 7.657 -3.080 -3.754 1.00 0.00 H new ATOM 0 HA PHE A 35 9.487 -1.412 -5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.134 -0.252 -3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 35 8.516 0.659 -4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.959 0.721 -6.892 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.244 -0.592 -5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.817 1.082 -9.069 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.108 -0.260 -7.344 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.391 0.591 -9.296 1.00 0.00 H new