USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 272 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -124:sc= 0.288 (180deg=0.00206) USER MOD Single : A 1 SER OG : rot 84:sc= 0.833 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0689 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -20.224 7.971 -11.012 1.00 0.00 N ATOM 2 CA SER A 1 -19.279 9.060 -10.713 1.00 0.00 C ATOM 3 C SER A 1 -18.023 8.863 -11.565 1.00 0.00 C ATOM 4 O SER A 1 -17.931 7.836 -12.239 1.00 0.00 O ATOM 5 CB SER A 1 -18.966 9.024 -9.208 1.00 0.00 C ATOM 6 OG SER A 1 -18.622 7.710 -8.819 1.00 0.00 O ATOM 0 H1 SER A 1 -21.134 8.374 -11.314 1.00 0.00 H new ATOM 0 H2 SER A 1 -19.839 7.376 -11.773 1.00 0.00 H new ATOM 0 H3 SER A 1 -20.368 7.392 -10.160 1.00 0.00 H new ATOM 0 HA SER A 1 -19.698 10.037 -10.953 1.00 0.00 H new ATOM 0 HB2 SER A 1 -18.146 9.706 -8.982 1.00 0.00 H new ATOM 0 HB3 SER A 1 -19.831 9.366 -8.640 1.00 0.00 H new ATOM 0 HG SER A 1 -17.671 7.554 -8.999 1.00 0.00 H new ATOM 14 N PRO A 2 -17.036 9.775 -11.529 1.00 0.00 N ATOM 15 CA PRO A 2 -15.645 9.369 -11.712 1.00 0.00 C ATOM 16 C PRO A 2 -15.248 8.346 -10.621 1.00 0.00 C ATOM 17 O PRO A 2 -15.988 8.189 -9.640 1.00 0.00 O ATOM 18 CB PRO A 2 -14.836 10.670 -11.611 1.00 0.00 C ATOM 19 CG PRO A 2 -15.695 11.557 -10.712 1.00 0.00 C ATOM 20 CD PRO A 2 -17.118 11.167 -11.103 1.00 0.00 C ATOM 0 HA PRO A 2 -15.465 8.874 -12.667 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.850 10.497 -11.180 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.680 11.123 -12.590 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -15.501 11.369 -9.656 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.504 12.616 -10.888 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -17.802 11.281 -10.262 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -17.493 11.802 -11.906 1.00 0.00 H new ATOM 28 N PRO A 3 -14.113 7.644 -10.774 1.00 0.00 N ATOM 29 CA PRO A 3 -13.601 6.755 -9.740 1.00 0.00 C ATOM 30 C PRO A 3 -13.065 7.560 -8.549 1.00 0.00 C ATOM 31 O PRO A 3 -12.861 8.771 -8.632 1.00 0.00 O ATOM 32 CB PRO A 3 -12.498 5.939 -10.425 1.00 0.00 C ATOM 33 CG PRO A 3 -11.974 6.894 -11.497 1.00 0.00 C ATOM 34 CD PRO A 3 -13.231 7.646 -11.933 1.00 0.00 C ATOM 0 HA PRO A 3 -14.374 6.105 -9.330 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.715 5.652 -9.724 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.889 5.019 -10.861 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.217 7.570 -11.100 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.517 6.356 -12.328 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.991 8.664 -12.241 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.703 7.158 -12.785 1.00 0.00 H new ATOM 42 N ASP A 4 -12.769 6.862 -7.458 1.00 0.00 N ATOM 43 CA ASP A 4 -12.190 7.347 -6.203 1.00 0.00 C ATOM 44 C ASP A 4 -10.653 7.364 -6.241 1.00 0.00 C ATOM 45 O ASP A 4 -10.013 7.431 -5.195 1.00 0.00 O ATOM 46 CB ASP A 4 -12.648 6.391 -5.081 1.00 0.00 C ATOM 47 CG ASP A 4 -12.012 4.995 -5.210 1.00 0.00 C ATOM 48 OD1 ASP A 4 -12.064 4.455 -6.344 1.00 0.00 O ATOM 49 OD2 ASP A 4 -11.502 4.479 -4.195 1.00 0.00 O ATOM 0 H ASP A 4 -12.941 5.857 -7.422 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.525 8.370 -6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -12.388 6.819 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.734 6.297 -5.107 1.00 0.00 H new ATOM 54 N TYR A 5 -10.071 7.425 -7.445 1.00 0.00 N ATOM 55 CA TYR A 5 -8.656 7.333 -7.841 1.00 0.00 C ATOM 56 C TYR A 5 -7.638 8.305 -7.199 1.00 0.00 C ATOM 57 O TYR A 5 -6.518 8.428 -7.693 1.00 0.00 O ATOM 58 CB TYR A 5 -8.574 7.385 -9.379 1.00 0.00 C ATOM 59 CG TYR A 5 -8.655 8.763 -10.031 1.00 0.00 C ATOM 60 CD1 TYR A 5 -9.701 9.661 -9.730 1.00 0.00 C ATOM 61 CD2 TYR A 5 -7.665 9.150 -10.958 1.00 0.00 C ATOM 62 CE1 TYR A 5 -9.756 10.926 -10.337 1.00 0.00 C ATOM 63 CE2 TYR A 5 -7.716 10.412 -11.575 1.00 0.00 C ATOM 64 CZ TYR A 5 -8.760 11.308 -11.263 1.00 0.00 C ATOM 65 OH TYR A 5 -8.797 12.534 -11.852 1.00 0.00 O ATOM 0 H TYR A 5 -10.655 7.557 -8.271 1.00 0.00 H new ATOM 0 HA TYR A 5 -8.327 6.379 -7.428 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.636 6.920 -9.684 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -9.380 6.772 -9.782 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -10.467 9.372 -9.026 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.860 8.470 -11.196 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -10.559 11.606 -10.096 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -6.956 10.696 -12.288 1.00 0.00 H new ATOM 0 HH TYR A 5 -8.034 12.628 -12.460 1.00 0.00 H new ATOM 75 N SER A 6 -7.997 8.963 -6.103 1.00 0.00 N ATOM 76 CA SER A 6 -7.324 9.960 -5.271 1.00 0.00 C ATOM 77 C SER A 6 -5.999 9.494 -4.624 1.00 0.00 C ATOM 78 O SER A 6 -5.643 9.963 -3.541 1.00 0.00 O ATOM 79 CB SER A 6 -8.324 10.354 -4.164 1.00 0.00 C ATOM 80 OG SER A 6 -9.660 10.449 -4.639 1.00 0.00 O ATOM 0 H SER A 6 -8.921 8.777 -5.714 1.00 0.00 H new ATOM 0 HA SER A 6 -7.037 10.790 -5.917 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.280 9.618 -3.362 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.026 11.311 -3.735 1.00 0.00 H new ATOM 0 HG SER A 6 -10.253 10.699 -3.900 1.00 0.00 H new ATOM 86 N ALA A 7 -5.295 8.523 -5.210 1.00 0.00 N ATOM 87 CA ALA A 7 -4.093 7.935 -4.642 1.00 0.00 C ATOM 88 C ALA A 7 -3.011 9.001 -4.439 1.00 0.00 C ATOM 89 O ALA A 7 -2.779 9.844 -5.306 1.00 0.00 O ATOM 90 CB ALA A 7 -3.591 6.809 -5.552 1.00 0.00 C ATOM 0 H ALA A 7 -5.555 8.120 -6.110 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.330 7.516 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.690 6.370 -5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.361 6.043 -5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.365 7.212 -6.539 1.00 0.00 H new ATOM 96 N ALA A 8 -2.314 8.911 -3.302 1.00 0.00 N ATOM 97 CA ALA A 8 -1.184 9.770 -2.972 1.00 0.00 C ATOM 98 C ALA A 8 -0.101 9.687 -4.064 1.00 0.00 C ATOM 99 O ALA A 8 0.018 8.651 -4.730 1.00 0.00 O ATOM 100 CB ALA A 8 -0.631 9.342 -1.608 1.00 0.00 C ATOM 0 H ALA A 8 -2.527 8.226 -2.576 1.00 0.00 H new ATOM 0 HA ALA A 8 -1.509 10.809 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.216 9.975 -1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.409 9.444 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.306 8.303 -1.657 1.00 0.00 H new ATOM 106 N PRO A 9 0.729 10.734 -4.234 1.00 0.00 N ATOM 107 CA PRO A 9 1.691 10.784 -5.323 1.00 0.00 C ATOM 108 C PRO A 9 2.757 9.692 -5.195 1.00 0.00 C ATOM 109 O PRO A 9 2.982 9.106 -4.137 1.00 0.00 O ATOM 110 CB PRO A 9 2.278 12.201 -5.298 1.00 0.00 C ATOM 111 CG PRO A 9 2.089 12.648 -3.850 1.00 0.00 C ATOM 112 CD PRO A 9 0.783 11.963 -3.453 1.00 0.00 C ATOM 0 HA PRO A 9 1.218 10.584 -6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.330 12.203 -5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.758 12.862 -5.992 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.919 12.333 -3.218 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.018 13.733 -3.767 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.762 11.749 -2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.075 12.601 -3.667 1.00 0.00 H new ATOM 120 N ARG A 10 3.458 9.436 -6.299 1.00 0.00 N ATOM 121 CA ARG A 10 4.553 8.476 -6.369 1.00 0.00 C ATOM 122 C ARG A 10 5.644 9.073 -7.238 1.00 0.00 C ATOM 123 O ARG A 10 5.342 9.783 -8.201 1.00 0.00 O ATOM 124 CB ARG A 10 4.050 7.068 -6.771 1.00 0.00 C ATOM 125 CG ARG A 10 2.943 6.915 -7.842 1.00 0.00 C ATOM 126 CD ARG A 10 3.408 6.751 -9.297 1.00 0.00 C ATOM 127 NE ARG A 10 4.007 7.979 -9.837 1.00 0.00 N ATOM 128 CZ ARG A 10 4.286 8.270 -11.111 1.00 0.00 C ATOM 129 NH1 ARG A 10 3.957 7.435 -12.096 1.00 0.00 N ATOM 130 NH2 ARG A 10 4.908 9.415 -11.376 1.00 0.00 N ATOM 0 H ARG A 10 3.274 9.902 -7.188 1.00 0.00 H new ATOM 0 HA ARG A 10 4.998 8.298 -5.390 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.915 6.502 -7.117 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.692 6.581 -5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.334 6.050 -7.580 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.295 7.790 -7.789 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.135 5.941 -9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.559 6.462 -9.916 1.00 0.00 H new ATOM 0 HE ARG A 10 4.239 8.700 -9.154 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.484 6.557 -11.883 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.178 7.674 -13.063 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.160 10.046 -10.616 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.133 9.662 -12.340 1.00 0.00 H new ATOM 144 N GLY A 11 6.903 8.801 -6.904 1.00 0.00 N ATOM 145 CA GLY A 11 8.052 9.414 -7.566 1.00 0.00 C ATOM 146 C GLY A 11 8.300 10.854 -7.102 1.00 0.00 C ATOM 147 O GLY A 11 9.217 11.505 -7.588 1.00 0.00 O ATOM 0 H GLY A 11 7.156 8.147 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.941 8.815 -7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.893 9.406 -8.644 1.00 0.00 H new ATOM 151 N ARG A 12 7.491 11.362 -6.169 1.00 0.00 N ATOM 152 CA ARG A 12 7.614 12.644 -5.495 1.00 0.00 C ATOM 153 C ARG A 12 6.893 12.454 -4.170 1.00 0.00 C ATOM 154 O ARG A 12 5.670 12.396 -4.182 1.00 0.00 O ATOM 155 CB ARG A 12 6.977 13.810 -6.282 1.00 0.00 C ATOM 156 CG ARG A 12 7.849 14.321 -7.439 1.00 0.00 C ATOM 157 CD ARG A 12 7.399 15.717 -7.897 1.00 0.00 C ATOM 158 NE ARG A 12 8.331 16.295 -8.884 1.00 0.00 N ATOM 159 CZ ARG A 12 8.319 17.559 -9.337 1.00 0.00 C ATOM 160 NH1 ARG A 12 7.379 18.416 -8.936 1.00 0.00 N ATOM 161 NH2 ARG A 12 9.254 17.964 -10.195 1.00 0.00 N ATOM 0 H ARG A 12 6.674 10.844 -5.845 1.00 0.00 H new ATOM 0 HA ARG A 12 8.664 12.916 -5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.015 13.486 -6.679 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.778 14.634 -5.597 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.892 14.357 -7.124 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.793 13.625 -8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.402 15.653 -8.332 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.328 16.378 -7.033 1.00 0.00 H new ATOM 0 HE ARG A 12 9.052 15.677 -9.257 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.660 18.113 -8.279 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.379 19.374 -9.286 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.976 17.315 -10.506 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.248 18.924 -10.541 1.00 0.00 H new ATOM 175 N PHE A 13 7.666 12.204 -3.112 1.00 0.00 N ATOM 176 CA PHE A 13 7.285 12.107 -1.701 1.00 0.00 C ATOM 177 C PHE A 13 5.812 11.754 -1.454 1.00 0.00 C ATOM 178 O PHE A 13 5.014 12.620 -1.102 1.00 0.00 O ATOM 179 CB PHE A 13 7.719 13.395 -0.982 1.00 0.00 C ATOM 180 CG PHE A 13 9.194 13.717 -1.148 1.00 0.00 C ATOM 181 CD1 PHE A 13 10.164 12.940 -0.487 1.00 0.00 C ATOM 182 CD2 PHE A 13 9.599 14.774 -1.988 1.00 0.00 C ATOM 183 CE1 PHE A 13 11.532 13.214 -0.669 1.00 0.00 C ATOM 184 CE2 PHE A 13 10.967 15.047 -2.168 1.00 0.00 C ATOM 185 CZ PHE A 13 11.933 14.265 -1.511 1.00 0.00 C ATOM 0 H PHE A 13 8.667 12.050 -3.232 1.00 0.00 H new ATOM 0 HA PHE A 13 7.814 11.253 -1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 13 7.129 14.229 -1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.493 13.302 0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.858 12.132 0.161 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.858 15.375 -2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 13 12.274 12.616 -0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 13 11.275 15.858 -2.811 1.00 0.00 H new ATOM 0 HZ PHE A 13 12.983 14.472 -1.653 1.00 0.00 H new ATOM 195 N GLY A 14 5.441 10.486 -1.637 1.00 0.00 N ATOM 196 CA GLY A 14 4.106 10.013 -1.317 1.00 0.00 C ATOM 197 C GLY A 14 4.102 8.495 -1.192 1.00 0.00 C ATOM 198 O GLY A 14 5.065 7.824 -1.575 1.00 0.00 O ATOM 0 H GLY A 14 6.059 9.766 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.767 10.463 -0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.407 10.323 -2.093 1.00 0.00 H new ATOM 202 N ILE A 15 3.019 7.969 -0.624 1.00 0.00 N ATOM 203 CA ILE A 15 2.810 6.572 -0.272 1.00 0.00 C ATOM 204 C ILE A 15 1.386 6.249 -0.722 1.00 0.00 C ATOM 205 O ILE A 15 0.438 6.548 0.003 1.00 0.00 O ATOM 206 CB ILE A 15 3.019 6.379 1.254 1.00 0.00 C ATOM 207 CG1 ILE A 15 4.478 6.704 1.661 1.00 0.00 C ATOM 208 CG2 ILE A 15 2.603 4.967 1.711 1.00 0.00 C ATOM 209 CD1 ILE A 15 4.769 6.585 3.162 1.00 0.00 C ATOM 0 H ILE A 15 2.214 8.547 -0.383 1.00 0.00 H new ATOM 0 HA ILE A 15 3.517 5.897 -0.755 1.00 0.00 H new ATOM 0 HB ILE A 15 2.367 7.085 1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.148 6.035 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.713 7.719 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.764 4.870 2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.548 4.808 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.202 4.223 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.814 6.831 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.129 7.274 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.571 5.565 3.491 1.00 0.00 H new ATOM 221 N PRO A 16 1.200 5.744 -1.952 1.00 0.00 N ATOM 222 CA PRO A 16 -0.103 5.279 -2.395 1.00 0.00 C ATOM 223 C PRO A 16 -0.390 3.961 -1.653 1.00 0.00 C ATOM 224 O PRO A 16 0.331 3.567 -0.735 1.00 0.00 O ATOM 225 CB PRO A 16 0.019 5.134 -3.919 1.00 0.00 C ATOM 226 CG PRO A 16 1.503 4.849 -4.133 1.00 0.00 C ATOM 227 CD PRO A 16 2.179 5.650 -3.022 1.00 0.00 C ATOM 0 HA PRO A 16 -0.938 5.945 -2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.604 4.323 -4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.294 6.042 -4.435 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.724 3.785 -4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.836 5.170 -5.120 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.087 5.154 -2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.470 6.640 -3.374 1.00 0.00 H new ATOM 235 N PHE A 17 -1.406 3.220 -2.084 1.00 0.00 N ATOM 236 CA PHE A 17 -1.792 1.908 -1.564 1.00 0.00 C ATOM 237 C PHE A 17 -0.711 0.810 -1.682 1.00 0.00 C ATOM 238 O PHE A 17 -1.030 -0.366 -1.520 1.00 0.00 O ATOM 239 CB PHE A 17 -3.096 1.496 -2.275 1.00 0.00 C ATOM 240 CG PHE A 17 -3.004 1.506 -3.794 1.00 0.00 C ATOM 241 CD1 PHE A 17 -2.388 0.439 -4.478 1.00 0.00 C ATOM 242 CD2 PHE A 17 -3.505 2.602 -4.524 1.00 0.00 C ATOM 243 CE1 PHE A 17 -2.261 0.475 -5.877 1.00 0.00 C ATOM 244 CE2 PHE A 17 -3.378 2.637 -5.924 1.00 0.00 C ATOM 245 CZ PHE A 17 -2.754 1.575 -6.601 1.00 0.00 C ATOM 0 H PHE A 17 -2.013 3.531 -2.842 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.933 2.006 -0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.377 0.496 -1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.895 2.170 -1.965 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.012 -0.409 -3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.988 3.418 -4.007 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.784 -0.343 -6.397 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.760 3.481 -6.480 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.653 1.604 -7.676 1.00 0.00 H new ATOM 255 N PHE A 18 0.562 1.140 -1.935 1.00 0.00 N ATOM 256 CA PHE A 18 1.623 0.174 -2.188 1.00 0.00 C ATOM 257 C PHE A 18 1.695 -0.904 -1.081 1.00 0.00 C ATOM 258 O PHE A 18 1.825 -2.078 -1.442 1.00 0.00 O ATOM 259 CB PHE A 18 3.001 0.838 -2.435 1.00 0.00 C ATOM 260 CG PHE A 18 3.865 1.277 -1.266 1.00 0.00 C ATOM 261 CD1 PHE A 18 4.591 0.303 -0.545 1.00 0.00 C ATOM 262 CD2 PHE A 18 4.109 2.637 -1.013 1.00 0.00 C ATOM 263 CE1 PHE A 18 5.514 0.684 0.443 1.00 0.00 C ATOM 264 CE2 PHE A 18 5.073 3.017 -0.063 1.00 0.00 C ATOM 265 CZ PHE A 18 5.760 2.045 0.682 1.00 0.00 C ATOM 0 H PHE A 18 0.883 2.108 -1.969 1.00 0.00 H new ATOM 0 HA PHE A 18 1.358 -0.329 -3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.592 0.141 -3.028 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.828 1.717 -3.055 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.435 -0.745 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.555 3.393 -1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.033 -0.069 1.018 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.287 4.064 0.095 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.474 2.343 1.435 1.00 0.00 H new ATOM 275 N PRO A 19 1.578 -0.603 0.239 1.00 0.00 N ATOM 276 CA PRO A 19 1.756 -1.633 1.256 1.00 0.00 C ATOM 277 C PRO A 19 0.641 -2.685 1.274 1.00 0.00 C ATOM 278 O PRO A 19 0.808 -3.689 1.962 1.00 0.00 O ATOM 279 CB PRO A 19 1.897 -0.905 2.596 1.00 0.00 C ATOM 280 CG PRO A 19 1.134 0.393 2.370 1.00 0.00 C ATOM 281 CD PRO A 19 1.417 0.695 0.903 1.00 0.00 C ATOM 0 HA PRO A 19 2.649 -2.217 1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.472 -1.484 3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.942 -0.720 2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.067 0.275 2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.488 1.190 3.023 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.599 1.261 0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.317 1.300 0.797 1.00 0.00 H new ATOM 289 N VAL A 20 -0.458 -2.525 0.526 1.00 0.00 N ATOM 290 CA VAL A 20 -1.504 -3.539 0.391 1.00 0.00 C ATOM 291 C VAL A 20 -0.886 -4.853 -0.070 1.00 0.00 C ATOM 292 O VAL A 20 -1.004 -5.880 0.593 1.00 0.00 O ATOM 293 CB VAL A 20 -2.570 -3.037 -0.613 1.00 0.00 C ATOM 294 CG1 VAL A 20 -3.425 -4.158 -1.221 1.00 0.00 C ATOM 295 CG2 VAL A 20 -3.466 -1.981 0.047 1.00 0.00 C ATOM 0 H VAL A 20 -0.645 -1.676 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.988 -3.712 1.352 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.020 -2.592 -1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.149 -3.729 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.782 -4.857 -1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.953 -4.685 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.211 -1.636 -0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.968 -2.418 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.856 -1.137 0.370 1.00 0.00 H new ATOM 305 N HIS A 21 -0.232 -4.823 -1.226 1.00 0.00 N ATOM 306 CA HIS A 21 0.311 -5.997 -1.886 1.00 0.00 C ATOM 307 C HIS A 21 1.339 -6.726 -1.019 1.00 0.00 C ATOM 308 O HIS A 21 1.427 -7.959 -1.068 1.00 0.00 O ATOM 309 CB HIS A 21 0.938 -5.508 -3.189 1.00 0.00 C ATOM 310 CG HIS A 21 0.002 -5.278 -4.349 1.00 0.00 C ATOM 311 ND1 HIS A 21 -1.376 -5.175 -4.325 1.00 0.00 N ATOM 312 CD2 HIS A 21 0.411 -5.057 -5.637 1.00 0.00 C ATOM 313 CE1 HIS A 21 -1.781 -4.902 -5.580 1.00 0.00 C ATOM 314 NE2 HIS A 21 -0.728 -4.822 -6.405 1.00 0.00 N ATOM 0 H HIS A 21 -0.062 -3.958 -1.740 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.479 -6.724 -2.073 1.00 0.00 H new ATOM 0 HB2 HIS A 21 1.462 -4.574 -2.985 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.690 -6.234 -3.498 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.431 -5.064 -5.993 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.810 -4.767 -5.879 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -0.755 -4.626 -7.406 1.00 0.00 H new ATOM 322 N LEU A 22 2.101 -5.967 -0.232 1.00 0.00 N ATOM 323 CA LEU A 22 3.100 -6.468 0.697 1.00 0.00 C ATOM 324 C LEU A 22 2.439 -7.038 1.947 1.00 0.00 C ATOM 325 O LEU A 22 2.708 -8.185 2.294 1.00 0.00 O ATOM 326 CB LEU A 22 4.102 -5.352 1.046 1.00 0.00 C ATOM 327 CG LEU A 22 5.076 -4.929 -0.080 1.00 0.00 C ATOM 328 CD1 LEU A 22 5.564 -6.105 -0.935 1.00 0.00 C ATOM 329 CD2 LEU A 22 4.481 -3.863 -1.004 1.00 0.00 C ATOM 0 H LEU A 22 2.033 -4.949 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 22 3.649 -7.280 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.539 -4.473 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.691 -5.677 1.904 1.00 0.00 H new ATOM 0 HG LEU A 22 5.931 -4.509 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.243 -5.738 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.086 -6.823 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.710 -6.591 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.207 -3.604 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.577 -4.251 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.235 -2.974 -0.423 1.00 0.00 H new ATOM 341 N LYS A 23 1.533 -6.309 2.607 1.00 0.00 N ATOM 342 CA LYS A 23 0.824 -6.850 3.767 1.00 0.00 C ATOM 343 C LYS A 23 -0.002 -8.071 3.363 1.00 0.00 C ATOM 344 O LYS A 23 -0.183 -8.962 4.181 1.00 0.00 O ATOM 345 CB LYS A 23 -0.024 -5.764 4.456 1.00 0.00 C ATOM 346 CG LYS A 23 -0.502 -6.237 5.842 1.00 0.00 C ATOM 347 CD LYS A 23 -1.284 -5.165 6.612 1.00 0.00 C ATOM 348 CE LYS A 23 -1.718 -5.738 7.972 1.00 0.00 C ATOM 349 NZ LYS A 23 -2.514 -4.779 8.776 1.00 0.00 N ATOM 0 H LYS A 23 1.276 -5.353 2.360 1.00 0.00 H new ATOM 0 HA LYS A 23 1.556 -7.183 4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.562 -4.851 4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.885 -5.520 3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.131 -7.119 5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.362 -6.541 6.433 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.665 -4.280 6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.157 -4.853 6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.305 -6.642 7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.833 -6.030 8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.778 -5.219 9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.948 -3.926 8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.375 -4.519 8.254 1.00 0.00 H new ATOM 363 N ARG A 24 -0.456 -8.170 2.112 1.00 0.00 N ATOM 364 CA ARG A 24 -1.146 -9.354 1.608 1.00 0.00 C ATOM 365 C ARG A 24 -0.217 -10.561 1.644 1.00 0.00 C ATOM 366 O ARG A 24 -0.687 -11.651 1.946 1.00 0.00 O ATOM 367 CB ARG A 24 -1.738 -9.042 0.219 1.00 0.00 C ATOM 368 CG ARG A 24 -2.298 -10.217 -0.614 1.00 0.00 C ATOM 369 CD ARG A 24 -1.282 -11.208 -1.216 1.00 0.00 C ATOM 370 NE ARG A 24 -0.032 -10.562 -1.665 1.00 0.00 N ATOM 371 CZ ARG A 24 1.027 -11.165 -2.215 1.00 0.00 C ATOM 372 NH1 ARG A 24 1.003 -12.469 -2.487 1.00 0.00 N ATOM 373 NH2 ARG A 24 2.109 -10.438 -2.475 1.00 0.00 N ATOM 0 H ARG A 24 -0.354 -7.428 1.420 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.987 -9.620 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.540 -8.317 0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.963 -8.554 -0.372 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.984 -10.781 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.887 -9.800 -1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.043 -11.969 -0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.742 -11.721 -2.061 1.00 0.00 H new ATOM 0 HE ARG A 24 0.030 -9.551 -1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.170 -13.019 -2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.817 -12.918 -2.907 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.119 -9.442 -2.255 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.929 -10.876 -2.894 1.00 0.00 H new ATOM 387 N LEU A 25 1.075 -10.387 1.347 1.00 0.00 N ATOM 388 CA LEU A 25 2.056 -11.461 1.455 1.00 0.00 C ATOM 389 C LEU A 25 2.111 -11.917 2.908 1.00 0.00 C ATOM 390 O LEU A 25 1.993 -13.108 3.167 1.00 0.00 O ATOM 391 CB LEU A 25 3.427 -10.989 0.933 1.00 0.00 C ATOM 392 CG LEU A 25 4.403 -12.136 0.590 1.00 0.00 C ATOM 393 CD1 LEU A 25 5.467 -11.611 -0.384 1.00 0.00 C ATOM 394 CD2 LEU A 25 5.120 -12.718 1.814 1.00 0.00 C ATOM 0 H LEU A 25 1.464 -9.500 1.027 1.00 0.00 H new ATOM 0 HA LEU A 25 1.767 -12.311 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.274 -10.379 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.888 -10.347 1.684 1.00 0.00 H new ATOM 0 HG LEU A 25 3.804 -12.935 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.161 -12.414 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.984 -11.255 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.013 -10.790 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.789 -13.518 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.698 -11.934 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.383 -13.116 2.512 1.00 0.00 H new ATOM 406 N LEU A 26 2.235 -10.972 3.844 1.00 0.00 N ATOM 407 CA LEU A 26 2.316 -11.276 5.273 1.00 0.00 C ATOM 408 C LEU A 26 1.048 -11.969 5.787 1.00 0.00 C ATOM 409 O LEU A 26 1.147 -12.919 6.554 1.00 0.00 O ATOM 410 CB LEU A 26 2.608 -9.988 6.063 1.00 0.00 C ATOM 411 CG LEU A 26 2.735 -10.196 7.587 1.00 0.00 C ATOM 412 CD1 LEU A 26 3.883 -11.142 7.957 1.00 0.00 C ATOM 413 CD2 LEU A 26 2.965 -8.833 8.253 1.00 0.00 C ATOM 0 H LEU A 26 2.282 -9.976 3.631 1.00 0.00 H new ATOM 0 HA LEU A 26 3.136 -11.978 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.532 -9.548 5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.812 -9.269 5.871 1.00 0.00 H new ATOM 0 HG LEU A 26 1.812 -10.655 7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.928 -11.253 9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.714 -12.116 7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.825 -10.730 7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.057 -8.966 9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.880 -8.387 7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.122 -8.176 8.039 1.00 0.00 H new ATOM 425 N ILE A 27 -0.134 -11.501 5.382 1.00 0.00 N ATOM 426 CA ILE A 27 -1.412 -12.101 5.756 1.00 0.00 C ATOM 427 C ILE A 27 -1.459 -13.538 5.234 1.00 0.00 C ATOM 428 O ILE A 27 -1.857 -14.425 5.976 1.00 0.00 O ATOM 429 CB ILE A 27 -2.587 -11.224 5.257 1.00 0.00 C ATOM 430 CG1 ILE A 27 -2.654 -9.917 6.085 1.00 0.00 C ATOM 431 CG2 ILE A 27 -3.945 -11.950 5.345 1.00 0.00 C ATOM 432 CD1 ILE A 27 -3.500 -8.815 5.434 1.00 0.00 C ATOM 0 H ILE A 27 -0.230 -10.685 4.778 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.513 -12.145 6.840 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.397 -11.002 4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.063 -10.142 7.070 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.642 -9.543 6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.734 -11.291 4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.916 -12.851 4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.146 -12.221 6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.500 -7.931 6.072 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.080 -8.560 4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.523 -9.169 5.306 1.00 0.00 H new ATOM 444 N LEU A 28 -1.058 -13.784 3.984 1.00 0.00 N ATOM 445 CA LEU A 28 -1.017 -15.134 3.430 1.00 0.00 C ATOM 446 C LEU A 28 -0.025 -16.017 4.179 1.00 0.00 C ATOM 447 O LEU A 28 -0.372 -17.128 4.557 1.00 0.00 O ATOM 448 CB LEU A 28 -0.750 -15.051 1.928 1.00 0.00 C ATOM 449 CG LEU A 28 -1.098 -16.338 1.167 1.00 0.00 C ATOM 450 CD1 LEU A 28 -0.136 -17.490 1.432 1.00 0.00 C ATOM 451 CD2 LEU A 28 -2.540 -16.822 1.404 1.00 0.00 C ATOM 0 H LEU A 28 -0.756 -13.058 3.335 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.984 -15.619 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.327 -14.226 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.303 -14.818 1.767 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.998 -16.044 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.448 -18.363 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.871 -17.200 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.142 -17.732 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.715 -17.735 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.687 -17.022 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.240 -16.052 1.079 1.00 0.00 H new ATOM 463 N LEU A 29 1.186 -15.524 4.426 1.00 0.00 N ATOM 464 CA LEU A 29 2.177 -16.227 5.237 1.00 0.00 C ATOM 465 C LEU A 29 1.565 -16.660 6.574 1.00 0.00 C ATOM 466 O LEU A 29 1.670 -17.828 6.934 1.00 0.00 O ATOM 467 CB LEU A 29 3.426 -15.348 5.423 1.00 0.00 C ATOM 468 CG LEU A 29 4.513 -15.987 6.312 1.00 0.00 C ATOM 469 CD1 LEU A 29 5.055 -17.297 5.726 1.00 0.00 C ATOM 470 CD2 LEU A 29 5.670 -14.992 6.470 1.00 0.00 C ATOM 0 H LEU A 29 1.508 -14.625 4.069 1.00 0.00 H new ATOM 0 HA LEU A 29 2.490 -17.134 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.853 -15.129 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.126 -14.396 5.860 1.00 0.00 H new ATOM 0 HG LEU A 29 4.059 -16.222 7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.817 -17.705 6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.241 -18.014 5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.493 -17.104 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.445 -15.432 7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.085 -14.758 5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.303 -14.078 6.936 1.00 0.00 H new ATOM 482 N LEU A 30 0.885 -15.746 7.275 1.00 0.00 N ATOM 483 CA LEU A 30 0.178 -16.042 8.523 1.00 0.00 C ATOM 484 C LEU A 30 -0.931 -17.078 8.317 1.00 0.00 C ATOM 485 O LEU A 30 -1.108 -17.964 9.145 1.00 0.00 O ATOM 486 CB LEU A 30 -0.393 -14.741 9.098 1.00 0.00 C ATOM 487 CG LEU A 30 -1.086 -14.892 10.467 1.00 0.00 C ATOM 488 CD1 LEU A 30 -0.126 -15.371 11.564 1.00 0.00 C ATOM 489 CD2 LEU A 30 -1.675 -13.534 10.874 1.00 0.00 C ATOM 0 H LEU A 30 0.810 -14.770 6.988 1.00 0.00 H new ATOM 0 HA LEU A 30 0.887 -16.474 9.229 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.415 -14.016 9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.109 -14.329 8.387 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.865 -15.647 10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.666 -15.460 12.507 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.286 -16.342 11.289 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.685 -14.652 11.677 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.169 -13.627 11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.875 -12.797 10.944 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.400 -13.213 10.126 1.00 0.00 H new ATOM 501 N LEU A 31 -1.669 -16.972 7.209 1.00 0.00 N ATOM 502 CA LEU A 31 -2.692 -17.930 6.781 1.00 0.00 C ATOM 503 C LEU A 31 -2.104 -19.320 6.481 1.00 0.00 C ATOM 504 O LEU A 31 -2.847 -20.292 6.394 1.00 0.00 O ATOM 505 CB LEU A 31 -3.489 -17.358 5.593 1.00 0.00 C ATOM 506 CG LEU A 31 -4.815 -18.109 5.322 1.00 0.00 C ATOM 507 CD1 LEU A 31 -5.966 -17.107 5.154 1.00 0.00 C ATOM 508 CD2 LEU A 31 -4.748 -18.974 4.056 1.00 0.00 C ATOM 0 H LEU A 31 -1.567 -16.190 6.563 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.384 -18.080 7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.708 -16.308 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.869 -17.396 4.697 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.985 -18.758 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.894 -17.647 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.070 -16.516 6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.753 -16.445 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.702 -19.480 3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.537 -18.341 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.957 -19.716 4.164 1.00 0.00 H new HETATM 520 N NH2 A 32 -0.790 -19.459 6.338 1.00 0.00 N TER 523 NH2 A 32