USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 319 hydrogens (1 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 ARG N :NH3+ -146:sc= -0.139 (180deg=-1.23) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 154:sc= -0.0733 (180deg=-0.399) USER MOD Single : A 14 ASN : amide:sc= -0.306 K(o=-0.31,f=-2.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA ARG A 1 2.093 0.000 -1.242 1.00 20.13 C ATOM 3 C ARG A 1 1.654 -1.145 -2.150 1.00 51.21 C ATOM 4 O ARG A 1 1.529 -0.975 -3.363 1.00 13.42 O ATOM 5 CB ARG A 1 3.589 -0.116 -0.945 1.00 2.42 C ATOM 6 CG ARG A 1 4.100 0.935 0.027 1.00 2.32 C ATOM 7 CD ARG A 1 4.920 0.309 1.144 1.00 3.03 C ATOM 8 NE ARG A 1 6.331 0.187 0.786 1.00 52.34 N ATOM 9 CZ ARG A 1 7.148 1.226 0.654 1.00 52.32 C ATOM 10 NH1 ARG A 1 6.697 2.458 0.850 1.00 20.45 N ATOM 11 NH2 ARG A 1 8.419 1.035 0.325 1.00 20.30 N ATOM 0 H1 ARG A 1 1.185 0.979 0.319 1.00 0.00 H new ATOM 0 H2 ARG A 1 0.406 -0.452 -0.160 1.00 0.00 H new ATOM 0 H3 ARG A 1 1.851 -0.528 0.729 1.00 0.00 H new ATOM 0 HA ARG A 1 1.903 0.942 -1.756 1.00 20.13 H new ATOM 0 HB2 ARG A 1 3.794 -1.106 -0.538 1.00 2.42 H new ATOM 0 HB3 ARG A 1 4.144 -0.035 -1.880 1.00 2.42 H new ATOM 0 HG2 ARG A 1 4.709 1.662 -0.509 1.00 2.32 H new ATOM 0 HG3 ARG A 1 3.257 1.478 0.454 1.00 2.32 H new ATOM 0 HD2 ARG A 1 4.826 0.914 2.046 1.00 3.03 H new ATOM 0 HD3 ARG A 1 4.519 -0.677 1.379 1.00 3.03 H new ATOM 0 HE ARG A 1 6.710 -0.747 0.629 1.00 52.34 H new ATOM 0 HH11 ARG A 1 5.720 2.609 1.103 1.00 20.45 H new ATOM 0 HH12 ARG A 1 7.327 3.254 0.748 1.00 20.45 H new ATOM 0 HH21 ARG A 1 8.770 0.089 0.173 1.00 20.30 H new ATOM 0 HH22 ARG A 1 9.045 1.834 0.224 1.00 20.30 H new ATOM 25 N TRP A 2 1.423 -2.309 -1.555 1.00 75.43 N ATOM 26 CA TRP A 2 0.998 -3.482 -2.311 1.00 61.41 C ATOM 27 C TRP A 2 -0.107 -4.233 -1.576 1.00 41.01 C ATOM 28 O TRP A 2 -1.168 -4.503 -2.139 1.00 34.14 O ATOM 29 CB TRP A 2 2.187 -4.413 -2.558 1.00 54.01 C ATOM 30 CG TRP A 2 2.362 -4.783 -4.000 1.00 35.22 C ATOM 31 CD1 TRP A 2 2.368 -3.934 -5.069 1.00 42.31 C ATOM 32 CD2 TRP A 2 2.553 -6.100 -4.529 1.00 40.54 C ATOM 33 NE1 TRP A 2 2.552 -4.643 -6.232 1.00 3.23 N ATOM 34 CE2 TRP A 2 2.669 -5.973 -5.928 1.00 23.24 C ATOM 35 CE3 TRP A 2 2.640 -7.372 -3.959 1.00 33.13 C ATOM 36 CZ2 TRP A 2 2.866 -7.072 -6.760 1.00 41.31 C ATOM 37 CZ3 TRP A 2 2.835 -8.461 -4.786 1.00 73.44 C ATOM 38 CH2 TRP A 2 2.947 -8.306 -6.174 1.00 40.14 C ATOM 0 H TRP A 2 1.523 -2.466 -0.552 1.00 75.43 H new ATOM 0 HA TRP A 2 0.605 -3.143 -3.270 1.00 61.41 H new ATOM 0 HB2 TRP A 2 3.097 -3.931 -2.201 1.00 54.01 H new ATOM 0 HB3 TRP A 2 2.056 -5.322 -1.970 1.00 54.01 H new ATOM 0 HD1 TRP A 2 2.246 -2.863 -5.010 1.00 42.31 H new ATOM 0 HE1 TRP A 2 2.595 -4.243 -7.169 1.00 3.23 H new ATOM 0 HE3 TRP A 2 2.556 -7.502 -2.890 1.00 33.13 H new ATOM 0 HZ2 TRP A 2 2.952 -6.955 -7.830 1.00 41.31 H new ATOM 0 HZ3 TRP A 2 2.902 -9.449 -4.355 1.00 73.44 H new ATOM 0 HH2 TRP A 2 3.100 -9.177 -6.793 1.00 40.14 H new ATOM 49 N LYS A 3 0.148 -4.568 -0.316 1.00 2.32 N ATOM 50 CA LYS A 3 -0.825 -5.286 0.498 1.00 74.13 C ATOM 51 C LYS A 3 -2.166 -4.558 0.512 1.00 62.24 C ATOM 52 O LYS A 3 -3.157 -5.054 -0.024 1.00 35.31 O ATOM 53 CB LYS A 3 -0.306 -5.447 1.928 1.00 22.41 C ATOM 54 CG LYS A 3 0.517 -6.707 2.138 1.00 34.00 C ATOM 55 CD LYS A 3 0.674 -7.031 3.614 1.00 11.43 C ATOM 56 CE LYS A 3 2.101 -6.798 4.087 1.00 72.11 C ATOM 57 NZ LYS A 3 2.484 -7.737 5.177 1.00 20.31 N ATOM 0 H LYS A 3 1.022 -4.353 0.164 1.00 2.32 H new ATOM 0 HA LYS A 3 -0.971 -6.272 0.058 1.00 74.13 H new ATOM 0 HB2 LYS A 3 0.301 -4.579 2.185 1.00 22.41 H new ATOM 0 HB3 LYS A 3 -1.153 -5.458 2.614 1.00 22.41 H new ATOM 0 HG2 LYS A 3 0.038 -7.544 1.630 1.00 34.00 H new ATOM 0 HG3 LYS A 3 1.501 -6.580 1.686 1.00 34.00 H new ATOM 0 HD2 LYS A 3 -0.009 -6.414 4.198 1.00 11.43 H new ATOM 0 HD3 LYS A 3 0.396 -8.070 3.791 1.00 11.43 H new ATOM 0 HE2 LYS A 3 2.786 -6.917 3.248 1.00 72.11 H new ATOM 0 HE3 LYS A 3 2.204 -5.772 4.439 1.00 72.11 H new ATOM 0 HZ1 LYS A 3 3.463 -7.546 5.472 1.00 20.31 H new ATOM 0 HZ2 LYS A 3 1.846 -7.606 5.988 1.00 20.31 H new ATOM 0 HZ3 LYS A 3 2.410 -8.716 4.834 1.00 20.31 H new ATOM 71 N ILE A 4 -2.188 -3.380 1.125 1.00 4.13 N ATOM 72 CA ILE A 4 -3.406 -2.583 1.206 1.00 63.53 C ATOM 73 C ILE A 4 -4.033 -2.397 -0.172 1.00 24.12 C ATOM 74 O ILE A 4 -5.228 -2.627 -0.358 1.00 41.41 O ATOM 75 CB ILE A 4 -3.134 -1.200 1.825 1.00 42.20 C ATOM 76 CG1 ILE A 4 -2.466 -1.352 3.193 1.00 14.44 C ATOM 77 CG2 ILE A 4 -4.428 -0.410 1.946 1.00 55.02 C ATOM 78 CD1 ILE A 4 -0.982 -1.058 3.178 1.00 75.32 C ATOM 0 H ILE A 4 -1.376 -2.956 1.573 1.00 4.13 H new ATOM 0 HA ILE A 4 -4.098 -3.128 1.847 1.00 63.53 H new ATOM 0 HB ILE A 4 -2.457 -0.652 1.170 1.00 42.20 H new ATOM 0 HG12 ILE A 4 -2.953 -0.683 3.902 1.00 14.44 H new ATOM 0 HG13 ILE A 4 -2.623 -2.368 3.554 1.00 14.44 H new ATOM 0 HG21 ILE A 4 -4.219 0.565 2.385 1.00 55.02 H new ATOM 0 HG22 ILE A 4 -4.866 -0.276 0.957 1.00 55.02 H new ATOM 0 HG23 ILE A 4 -5.127 -0.952 2.582 1.00 55.02 H new ATOM 0 HD11 ILE A 4 -0.576 -1.186 4.181 1.00 75.32 H new ATOM 0 HD12 ILE A 4 -0.482 -1.744 2.494 1.00 75.32 H new ATOM 0 HD13 ILE A 4 -0.818 -0.032 2.848 1.00 75.32 H new ATOM 90 N PHE A 5 -3.218 -1.981 -1.135 1.00 65.24 N ATOM 91 CA PHE A 5 -3.692 -1.765 -2.497 1.00 44.24 C ATOM 92 C PHE A 5 -4.408 -3.003 -3.027 1.00 71.41 C ATOM 93 O PHE A 5 -5.611 -2.975 -3.290 1.00 3.14 O ATOM 94 CB PHE A 5 -2.522 -1.406 -3.416 1.00 61.33 C ATOM 95 CG PHE A 5 -2.373 0.070 -3.649 1.00 51.10 C ATOM 96 CD1 PHE A 5 -1.887 0.897 -2.649 1.00 70.11 C ATOM 97 CD2 PHE A 5 -2.720 0.631 -4.868 1.00 2.14 C ATOM 98 CE1 PHE A 5 -1.748 2.256 -2.860 1.00 74.11 C ATOM 99 CE2 PHE A 5 -2.583 1.989 -5.084 1.00 40.25 C ATOM 100 CZ PHE A 5 -2.098 2.803 -4.079 1.00 61.22 C ATOM 0 H PHE A 5 -2.226 -1.787 -0.998 1.00 65.24 H new ATOM 0 HA PHE A 5 -4.400 -0.937 -2.481 1.00 44.24 H new ATOM 0 HB2 PHE A 5 -1.599 -1.792 -2.983 1.00 61.33 H new ATOM 0 HB3 PHE A 5 -2.658 -1.905 -4.375 1.00 61.33 H new ATOM 0 HD1 PHE A 5 -1.614 0.475 -1.693 1.00 70.11 H new ATOM 0 HD2 PHE A 5 -3.101 0.000 -5.657 1.00 2.14 H new ATOM 0 HE1 PHE A 5 -1.366 2.889 -2.073 1.00 74.11 H new ATOM 0 HE2 PHE A 5 -2.855 2.414 -6.039 1.00 40.25 H new ATOM 0 HZ PHE A 5 -1.993 3.865 -4.246 1.00 61.22 H new ATOM 110 N LYS A 6 -3.660 -4.091 -3.183 1.00 15.23 N ATOM 111 CA LYS A 6 -4.222 -5.341 -3.680 1.00 62.12 C ATOM 112 C LYS A 6 -5.447 -5.749 -2.868 1.00 23.01 C ATOM 113 O LYS A 6 -6.448 -6.204 -3.421 1.00 20.41 O ATOM 114 CB LYS A 6 -3.170 -6.452 -3.630 1.00 12.21 C ATOM 115 CG LYS A 6 -3.283 -7.448 -4.771 1.00 21.22 C ATOM 116 CD LYS A 6 -2.860 -6.831 -6.094 1.00 34.44 C ATOM 117 CE LYS A 6 -1.966 -7.772 -6.887 1.00 34.21 C ATOM 118 NZ LYS A 6 -1.168 -7.045 -7.912 1.00 62.44 N ATOM 0 H LYS A 6 -2.663 -4.132 -2.972 1.00 15.23 H new ATOM 0 HA LYS A 6 -4.530 -5.186 -4.714 1.00 62.12 H new ATOM 0 HB2 LYS A 6 -2.177 -6.002 -3.648 1.00 12.21 H new ATOM 0 HB3 LYS A 6 -3.261 -6.985 -2.683 1.00 12.21 H new ATOM 0 HG2 LYS A 6 -2.661 -8.318 -4.559 1.00 21.22 H new ATOM 0 HG3 LYS A 6 -4.311 -7.802 -4.846 1.00 21.22 H new ATOM 0 HD2 LYS A 6 -3.745 -6.586 -6.682 1.00 34.44 H new ATOM 0 HD3 LYS A 6 -2.332 -5.896 -5.908 1.00 34.44 H new ATOM 0 HE2 LYS A 6 -1.294 -8.294 -6.206 1.00 34.21 H new ATOM 0 HE3 LYS A 6 -2.579 -8.531 -7.374 1.00 34.21 H new ATOM 0 HZ1 LYS A 6 -0.572 -7.721 -8.431 1.00 62.44 H new ATOM 0 HZ2 LYS A 6 -1.809 -6.567 -8.577 1.00 62.44 H new ATOM 0 HZ3 LYS A 6 -0.564 -6.338 -7.445 1.00 62.44 H new ATOM 132 N LYS A 7 -5.361 -5.582 -1.553 1.00 11.45 N ATOM 133 CA LYS A 7 -6.463 -5.929 -0.663 1.00 70.42 C ATOM 134 C LYS A 7 -7.713 -5.124 -1.004 1.00 45.32 C ATOM 135 O LYS A 7 -8.707 -5.674 -1.479 1.00 3.04 O ATOM 136 CB LYS A 7 -6.066 -5.683 0.794 1.00 35.22 C ATOM 137 CG LYS A 7 -7.189 -5.946 1.783 1.00 53.12 C ATOM 138 CD LYS A 7 -6.651 -6.232 3.175 1.00 72.03 C ATOM 139 CE LYS A 7 -7.095 -5.173 4.172 1.00 34.44 C ATOM 140 NZ LYS A 7 -6.155 -5.066 5.322 1.00 13.13 N ATOM 0 H LYS A 7 -4.539 -5.208 -1.079 1.00 11.45 H new ATOM 0 HA LYS A 7 -6.686 -6.987 -0.798 1.00 70.42 H new ATOM 0 HB2 LYS A 7 -5.217 -6.320 1.043 1.00 35.22 H new ATOM 0 HB3 LYS A 7 -5.733 -4.651 0.902 1.00 35.22 H new ATOM 0 HG2 LYS A 7 -7.853 -5.082 1.819 1.00 53.12 H new ATOM 0 HG3 LYS A 7 -7.785 -6.792 1.441 1.00 53.12 H new ATOM 0 HD2 LYS A 7 -6.996 -7.212 3.505 1.00 72.03 H new ATOM 0 HD3 LYS A 7 -5.562 -6.271 3.145 1.00 72.03 H new ATOM 0 HE2 LYS A 7 -7.166 -4.208 3.670 1.00 34.44 H new ATOM 0 HE3 LYS A 7 -8.092 -5.415 4.539 1.00 34.44 H new ATOM 0 HZ1 LYS A 7 -6.492 -4.334 5.979 1.00 13.13 H new ATOM 0 HZ2 LYS A 7 -6.106 -5.979 5.817 1.00 13.13 H new ATOM 0 HZ3 LYS A 7 -5.209 -4.810 4.974 1.00 13.13 H new ATOM 154 N ILE A 8 -7.654 -3.819 -0.761 1.00 11.21 N ATOM 155 CA ILE A 8 -8.780 -2.938 -1.045 1.00 74.10 C ATOM 156 C ILE A 8 -9.269 -3.116 -2.478 1.00 52.25 C ATOM 157 O ILE A 8 -10.472 -3.128 -2.737 1.00 32.11 O ATOM 158 CB ILE A 8 -8.410 -1.460 -0.820 1.00 60.23 C ATOM 159 CG1 ILE A 8 -7.929 -1.245 0.616 1.00 30.02 C ATOM 160 CG2 ILE A 8 -9.600 -0.563 -1.126 1.00 74.50 C ATOM 161 CD1 ILE A 8 -8.979 -1.559 1.658 1.00 14.44 C ATOM 0 H ILE A 8 -6.839 -3.349 -0.368 1.00 11.21 H new ATOM 0 HA ILE A 8 -9.577 -3.213 -0.355 1.00 74.10 H new ATOM 0 HB ILE A 8 -7.598 -1.197 -1.498 1.00 60.23 H new ATOM 0 HG12 ILE A 8 -7.053 -1.869 0.795 1.00 30.02 H new ATOM 0 HG13 ILE A 8 -7.611 -0.209 0.733 1.00 30.02 H new ATOM 0 HG21 ILE A 8 -9.322 0.478 -0.962 1.00 74.50 H new ATOM 0 HG22 ILE A 8 -9.901 -0.699 -2.165 1.00 74.50 H new ATOM 0 HG23 ILE A 8 -10.431 -0.824 -0.471 1.00 74.50 H new ATOM 0 HD11 ILE A 8 -8.568 -1.384 2.652 1.00 14.44 H new ATOM 0 HD12 ILE A 8 -9.846 -0.917 1.505 1.00 14.44 H new ATOM 0 HD13 ILE A 8 -9.280 -2.603 1.568 1.00 14.44 H new ATOM 173 N GLU A 9 -8.327 -3.255 -3.406 1.00 53.23 N ATOM 174 CA GLU A 9 -8.663 -3.433 -4.814 1.00 71.10 C ATOM 175 C GLU A 9 -9.451 -4.723 -5.026 1.00 50.43 C ATOM 176 O GLU A 9 -10.498 -4.725 -5.674 1.00 50.21 O ATOM 177 CB GLU A 9 -7.392 -3.453 -5.666 1.00 32.01 C ATOM 178 CG GLU A 9 -7.647 -3.763 -7.131 1.00 45.04 C ATOM 179 CD GLU A 9 -7.012 -2.747 -8.061 1.00 53.22 C ATOM 180 OE1 GLU A 9 -5.769 -2.737 -8.171 1.00 25.31 O ATOM 181 OE2 GLU A 9 -7.761 -1.961 -8.680 1.00 22.14 O ATOM 0 H GLU A 9 -7.326 -3.248 -3.208 1.00 53.23 H new ATOM 0 HA GLU A 9 -9.285 -2.593 -5.122 1.00 71.10 H new ATOM 0 HB2 GLU A 9 -6.898 -2.485 -5.589 1.00 32.01 H new ATOM 0 HB3 GLU A 9 -6.704 -4.195 -5.260 1.00 32.01 H new ATOM 0 HG2 GLU A 9 -7.258 -4.755 -7.362 1.00 45.04 H new ATOM 0 HG3 GLU A 9 -8.722 -3.793 -7.311 1.00 45.04 H new ATOM 188 N LYS A 10 -8.940 -5.819 -4.476 1.00 43.33 N ATOM 189 CA LYS A 10 -9.594 -7.116 -4.603 1.00 43.33 C ATOM 190 C LYS A 10 -10.941 -7.118 -3.887 1.00 64.34 C ATOM 191 O LYS A 10 -11.980 -7.364 -4.500 1.00 0.03 O ATOM 192 CB LYS A 10 -8.699 -8.219 -4.034 1.00 12.04 C ATOM 193 CG LYS A 10 -9.344 -9.594 -4.051 1.00 63.32 C ATOM 194 CD LYS A 10 -8.532 -10.580 -4.875 1.00 53.24 C ATOM 195 CE LYS A 10 -9.431 -11.500 -5.687 1.00 41.03 C ATOM 196 NZ LYS A 10 -10.192 -10.755 -6.728 1.00 72.11 N ATOM 0 H LYS A 10 -8.074 -5.835 -3.937 1.00 43.33 H new ATOM 0 HA LYS A 10 -9.766 -7.307 -5.662 1.00 43.33 H new ATOM 0 HB2 LYS A 10 -7.772 -8.255 -4.606 1.00 12.04 H new ATOM 0 HB3 LYS A 10 -8.431 -7.965 -3.008 1.00 12.04 H new ATOM 0 HG2 LYS A 10 -9.441 -9.964 -3.030 1.00 63.32 H new ATOM 0 HG3 LYS A 10 -10.352 -9.519 -4.460 1.00 63.32 H new ATOM 0 HD2 LYS A 10 -7.867 -10.035 -5.545 1.00 53.24 H new ATOM 0 HD3 LYS A 10 -7.901 -11.175 -4.215 1.00 53.24 H new ATOM 0 HE2 LYS A 10 -8.826 -12.272 -6.162 1.00 41.03 H new ATOM 0 HE3 LYS A 10 -10.129 -12.007 -5.020 1.00 41.03 H new ATOM 0 HZ1 LYS A 10 -10.430 -11.398 -7.510 1.00 72.11 H new ATOM 0 HZ2 LYS A 10 -11.067 -10.375 -6.313 1.00 72.11 H new ATOM 0 HZ3 LYS A 10 -9.611 -9.971 -7.089 1.00 72.11 H new ATOM 210 N VAL A 11 -10.915 -6.842 -2.587 1.00 53.04 N ATOM 211 CA VAL A 11 -12.135 -6.810 -1.789 1.00 3.13 C ATOM 212 C VAL A 11 -13.178 -5.892 -2.415 1.00 40.33 C ATOM 213 O VAL A 11 -14.374 -6.176 -2.376 1.00 13.12 O ATOM 214 CB VAL A 11 -11.851 -6.340 -0.350 1.00 1.33 C ATOM 215 CG1 VAL A 11 -13.109 -6.430 0.500 1.00 75.13 C ATOM 216 CG2 VAL A 11 -10.724 -7.156 0.264 1.00 4.14 C ATOM 0 H VAL A 11 -10.063 -6.638 -2.064 1.00 53.04 H new ATOM 0 HA VAL A 11 -12.522 -7.829 -1.762 1.00 3.13 H new ATOM 0 HB VAL A 11 -11.538 -5.297 -0.383 1.00 1.33 H new ATOM 0 HG11 VAL A 11 -12.888 -6.094 1.513 1.00 75.13 H new ATOM 0 HG12 VAL A 11 -13.885 -5.798 0.069 1.00 75.13 H new ATOM 0 HG13 VAL A 11 -13.456 -7.463 0.528 1.00 75.13 H new ATOM 0 HG21 VAL A 11 -10.537 -6.810 1.281 1.00 4.14 H new ATOM 0 HG22 VAL A 11 -11.006 -8.209 0.285 1.00 4.14 H new ATOM 0 HG23 VAL A 11 -9.820 -7.035 -0.333 1.00 4.14 H new ATOM 226 N GLY A 12 -12.716 -4.788 -2.995 1.00 4.34 N ATOM 227 CA GLY A 12 -13.622 -3.844 -3.622 1.00 41.02 C ATOM 228 C GLY A 12 -14.453 -4.480 -4.719 1.00 13.15 C ATOM 229 O GLY A 12 -15.671 -4.307 -4.762 1.00 74.24 O ATOM 0 H GLY A 12 -11.730 -4.531 -3.042 1.00 4.34 H new ATOM 0 HA2 GLY A 12 -14.285 -3.424 -2.866 1.00 41.02 H new ATOM 0 HA3 GLY A 12 -13.048 -3.016 -4.039 1.00 41.02 H new ATOM 233 N ARG A 13 -13.794 -5.216 -5.607 1.00 72.32 N ATOM 234 CA ARG A 13 -14.480 -5.878 -6.711 1.00 13.44 C ATOM 235 C ARG A 13 -15.168 -7.154 -6.236 1.00 33.20 C ATOM 236 O ARG A 13 -16.215 -7.537 -6.757 1.00 63.41 O ATOM 237 CB ARG A 13 -13.491 -6.205 -7.831 1.00 55.21 C ATOM 238 CG ARG A 13 -14.001 -5.846 -9.217 1.00 74.13 C ATOM 239 CD ARG A 13 -14.591 -7.056 -9.924 1.00 74.33 C ATOM 240 NE ARG A 13 -13.613 -7.721 -10.781 1.00 40.41 N ATOM 241 CZ ARG A 13 -13.941 -8.543 -11.771 1.00 75.12 C ATOM 242 NH1 ARG A 13 -15.216 -8.801 -12.028 1.00 55.41 N ATOM 243 NH2 ARG A 13 -12.994 -9.109 -12.507 1.00 24.40 N ATOM 0 H ARG A 13 -12.786 -5.369 -5.584 1.00 72.32 H new ATOM 0 HA ARG A 13 -15.240 -5.197 -7.094 1.00 13.44 H new ATOM 0 HB2 ARG A 13 -12.558 -5.673 -7.647 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -13.261 -7.270 -7.802 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -14.758 -5.065 -9.137 1.00 74.13 H new ATOM 0 HG3 ARG A 13 -13.184 -5.438 -9.812 1.00 74.13 H new ATOM 0 HD2 ARG A 13 -14.963 -7.763 -9.183 1.00 74.33 H new ATOM 0 HD3 ARG A 13 -15.446 -6.744 -10.524 1.00 74.33 H new ATOM 0 HE ARG A 13 -12.623 -7.544 -10.610 1.00 40.41 H new ATOM 0 HH11 ARG A 13 -15.948 -8.368 -11.465 1.00 55.41 H new ATOM 0 HH12 ARG A 13 -15.465 -9.433 -12.789 1.00 55.41 H new ATOM 0 HH21 ARG A 13 -12.012 -8.913 -12.313 1.00 24.40 H new ATOM 0 HH22 ARG A 13 -13.248 -9.740 -13.267 1.00 24.40 H new ATOM 257 N ASN A 14 -14.572 -7.808 -5.244 1.00 52.12 N ATOM 258 CA ASN A 14 -15.127 -9.042 -4.700 1.00 30.01 C ATOM 259 C ASN A 14 -16.555 -8.826 -4.208 1.00 71.14 C ATOM 260 O ASN A 14 -17.500 -9.416 -4.733 1.00 42.33 O ATOM 261 CB ASN A 14 -14.254 -9.557 -3.554 1.00 4.51 C ATOM 262 CG ASN A 14 -14.561 -10.997 -3.194 1.00 74.22 C ATOM 263 OD1 ASN A 14 -15.723 -11.399 -3.135 1.00 35.14 O ATOM 264 ND2 ASN A 14 -13.518 -11.782 -2.952 1.00 70.31 N ATOM 0 H ASN A 14 -13.705 -7.504 -4.801 1.00 52.12 H new ATOM 0 HA ASN A 14 -15.144 -9.785 -5.497 1.00 30.01 H new ATOM 0 HB2 ASN A 14 -13.204 -9.472 -3.834 1.00 4.51 H new ATOM 0 HB3 ASN A 14 -14.402 -8.927 -2.677 1.00 4.51 H new ATOM 0 HD21 ASN A 14 -13.663 -12.761 -2.706 1.00 70.31 H new ATOM 0 HD22 ASN A 14 -12.572 -11.406 -3.013 1.00 70.31 H new ATOM 271 N VAL A 15 -16.705 -7.976 -3.198 1.00 31.05 N ATOM 272 CA VAL A 15 -18.018 -7.680 -2.636 1.00 24.23 C ATOM 273 C VAL A 15 -19.005 -7.282 -3.727 1.00 33.14 C ATOM 274 O VAL A 15 -20.067 -7.889 -3.868 1.00 40.04 O ATOM 275 CB VAL A 15 -17.940 -6.550 -1.592 1.00 24.32 C ATOM 276 CG1 VAL A 15 -19.292 -6.344 -0.926 1.00 45.11 C ATOM 277 CG2 VAL A 15 -16.867 -6.855 -0.557 1.00 13.03 C ATOM 0 H VAL A 15 -15.934 -7.480 -2.752 1.00 31.05 H new ATOM 0 HA VAL A 15 -18.367 -8.591 -2.149 1.00 24.23 H new ATOM 0 HB VAL A 15 -17.669 -5.625 -2.102 1.00 24.32 H new ATOM 0 HG11 VAL A 15 -19.217 -5.542 -0.192 1.00 45.11 H new ATOM 0 HG12 VAL A 15 -20.032 -6.078 -1.680 1.00 45.11 H new ATOM 0 HG13 VAL A 15 -19.596 -7.265 -0.428 1.00 45.11 H new ATOM 0 HG21 VAL A 15 -16.825 -6.047 0.173 1.00 13.03 H new ATOM 0 HG22 VAL A 15 -17.106 -7.790 -0.050 1.00 13.03 H new ATOM 0 HG23 VAL A 15 -15.900 -6.947 -1.052 1.00 13.03 H new ATOM 287 N ARG A 16 -18.648 -6.259 -4.496 1.00 12.33 N ATOM 288 CA ARG A 16 -19.504 -5.779 -5.574 1.00 43.42 C ATOM 289 C ARG A 16 -19.918 -6.926 -6.491 1.00 13.21 C ATOM 290 O ARG A 16 -21.107 -7.183 -6.682 1.00 11.43 O ATOM 291 CB ARG A 16 -18.782 -4.700 -6.384 1.00 54.31 C ATOM 292 CG ARG A 16 -18.508 -3.429 -5.597 1.00 12.40 C ATOM 293 CD ARG A 16 -19.733 -2.529 -5.548 1.00 41.51 C ATOM 294 NE ARG A 16 -19.377 -1.115 -5.637 1.00 51.15 N ATOM 295 CZ ARG A 16 -20.271 -0.135 -5.703 1.00 53.23 C ATOM 296 NH1 ARG A 16 -21.567 -0.413 -5.689 1.00 75.44 N ATOM 297 NH2 ARG A 16 -19.869 1.127 -5.783 1.00 15.33 N ATOM 0 H ARG A 16 -17.772 -5.747 -4.393 1.00 12.33 H new ATOM 0 HA ARG A 16 -20.402 -5.351 -5.128 1.00 43.42 H new ATOM 0 HB2 ARG A 16 -17.837 -5.103 -6.748 1.00 54.31 H new ATOM 0 HB3 ARG A 16 -19.382 -4.453 -7.260 1.00 54.31 H new ATOM 0 HG2 ARG A 16 -18.204 -3.686 -4.583 1.00 12.40 H new ATOM 0 HG3 ARG A 16 -17.677 -2.890 -6.052 1.00 12.40 H new ATOM 0 HD2 ARG A 16 -20.405 -2.786 -6.367 1.00 41.51 H new ATOM 0 HD3 ARG A 16 -20.278 -2.708 -4.621 1.00 41.51 H new ATOM 0 HE ARG A 16 -18.388 -0.867 -5.649 1.00 51.15 H new ATOM 0 HH11 ARG A 16 -21.880 -1.382 -5.627 1.00 75.44 H new ATOM 0 HH12 ARG A 16 -22.251 0.342 -5.740 1.00 75.44 H new ATOM 0 HH21 ARG A 16 -18.873 1.345 -5.794 1.00 15.33 H new ATOM 0 HH22 ARG A 16 -20.556 1.879 -5.834 1.00 15.33 H new ATOM 311 N ASP A 17 -18.930 -7.611 -7.056 1.00 35.43 N ATOM 312 CA ASP A 17 -19.192 -8.732 -7.952 1.00 51.51 C ATOM 313 C ASP A 17 -20.094 -9.764 -7.283 1.00 2.03 C ATOM 314 O ASP A 17 -20.999 -10.313 -7.910 1.00 42.41 O ATOM 315 CB ASP A 17 -17.878 -9.386 -8.382 1.00 53.11 C ATOM 316 CG ASP A 17 -18.050 -10.292 -9.585 1.00 64.23 C ATOM 317 OD1 ASP A 17 -18.352 -11.488 -9.389 1.00 61.24 O ATOM 318 OD2 ASP A 17 -17.882 -9.805 -10.723 1.00 33.42 O ATOM 0 H ASP A 17 -17.941 -7.410 -6.910 1.00 35.43 H new ATOM 0 HA ASP A 17 -19.704 -8.348 -8.835 1.00 51.51 H new ATOM 0 HB2 ASP A 17 -17.149 -8.610 -8.616 1.00 53.11 H new ATOM 0 HB3 ASP A 17 -17.474 -9.963 -7.551 1.00 53.11 H new ATOM 323 N GLY A 18 -19.839 -10.025 -6.004 1.00 10.31 N ATOM 324 CA GLY A 18 -20.635 -10.992 -5.271 1.00 53.40 C ATOM 325 C GLY A 18 -22.071 -10.542 -5.090 1.00 13.45 C ATOM 326 O GLY A 18 -23.001 -11.336 -5.238 1.00 2.51 O ATOM 0 H GLY A 18 -19.095 -9.584 -5.463 1.00 10.31 H new ATOM 0 HA2 GLY A 18 -20.620 -11.945 -5.799 1.00 53.40 H new ATOM 0 HA3 GLY A 18 -20.185 -11.162 -4.293 1.00 53.40 H new ATOM 330 N ILE A 19 -22.254 -9.266 -4.766 1.00 45.23 N ATOM 331 CA ILE A 19 -23.587 -8.712 -4.564 1.00 23.42 C ATOM 332 C ILE A 19 -24.338 -8.591 -5.885 1.00 41.52 C ATOM 333 O ILE A 19 -25.550 -8.801 -5.944 1.00 23.45 O ATOM 334 CB ILE A 19 -23.526 -7.328 -3.891 1.00 65.24 C ATOM 335 CG1 ILE A 19 -22.818 -7.425 -2.538 1.00 61.13 C ATOM 336 CG2 ILE A 19 -24.926 -6.759 -3.723 1.00 52.43 C ATOM 337 CD1 ILE A 19 -22.281 -6.101 -2.041 1.00 64.32 C ATOM 0 H ILE A 19 -21.495 -8.596 -4.638 1.00 45.23 H new ATOM 0 HA ILE A 19 -24.119 -9.402 -3.909 1.00 23.42 H new ATOM 0 HB ILE A 19 -22.956 -6.654 -4.530 1.00 65.24 H new ATOM 0 HG12 ILE A 19 -23.514 -7.825 -1.801 1.00 61.13 H new ATOM 0 HG13 ILE A 19 -21.995 -8.135 -2.618 1.00 61.13 H new ATOM 0 HG21 ILE A 19 -24.866 -5.781 -3.246 1.00 52.43 H new ATOM 0 HG22 ILE A 19 -25.397 -6.658 -4.701 1.00 52.43 H new ATOM 0 HG23 ILE A 19 -25.519 -7.430 -3.102 1.00 52.43 H new ATOM 0 HD11 ILE A 19 -21.792 -6.245 -1.078 1.00 64.32 H new ATOM 0 HD12 ILE A 19 -21.560 -5.708 -2.758 1.00 64.32 H new ATOM 0 HD13 ILE A 19 -23.103 -5.394 -1.929 1.00 64.32 H new ATOM 349 N ILE A 20 -23.610 -8.251 -6.944 1.00 13.12 N ATOM 350 CA ILE A 20 -24.208 -8.104 -8.265 1.00 65.24 C ATOM 351 C ILE A 20 -24.534 -9.463 -8.875 1.00 33.21 C ATOM 352 O ILE A 20 -25.620 -9.668 -9.419 1.00 1.44 O ATOM 353 CB ILE A 20 -23.276 -7.336 -9.222 1.00 15.43 C ATOM 354 CG1 ILE A 20 -22.971 -5.945 -8.663 1.00 2.45 C ATOM 355 CG2 ILE A 20 -23.906 -7.231 -10.603 1.00 3.31 C ATOM 356 CD1 ILE A 20 -21.702 -5.336 -9.218 1.00 13.42 C ATOM 0 H ILE A 20 -22.606 -8.072 -6.913 1.00 13.12 H new ATOM 0 HA ILE A 20 -25.129 -7.537 -8.133 1.00 65.24 H new ATOM 0 HB ILE A 20 -22.339 -7.885 -9.312 1.00 15.43 H new ATOM 0 HG12 ILE A 20 -23.808 -5.283 -8.882 1.00 2.45 H new ATOM 0 HG13 ILE A 20 -22.890 -6.008 -7.578 1.00 2.45 H new ATOM 0 HG21 ILE A 20 -23.236 -6.686 -11.268 1.00 3.31 H new ATOM 0 HG22 ILE A 20 -24.078 -8.231 -11.001 1.00 3.31 H new ATOM 0 HG23 ILE A 20 -24.856 -6.701 -10.530 1.00 3.31 H new ATOM 0 HD11 ILE A 20 -21.549 -4.351 -8.778 1.00 13.42 H new ATOM 0 HD12 ILE A 20 -20.855 -5.977 -8.976 1.00 13.42 H new ATOM 0 HD13 ILE A 20 -21.787 -5.241 -10.300 1.00 13.42 H new ATOM 368 N LYS A 21 -23.588 -10.391 -8.779 1.00 73.23 N ATOM 369 CA LYS A 21 -23.775 -11.733 -9.318 1.00 20.20 C ATOM 370 C LYS A 21 -25.066 -12.355 -8.795 1.00 52.41 C ATOM 371 O LYS A 21 -26.026 -12.536 -9.544 1.00 21.45 O ATOM 372 CB LYS A 21 -22.584 -12.622 -8.952 1.00 71.13 C ATOM 373 CG LYS A 21 -22.635 -14.000 -9.590 1.00 11.23 C ATOM 374 CD LYS A 21 -21.267 -14.661 -9.598 1.00 72.31 C ATOM 375 CE LYS A 21 -20.752 -14.857 -11.016 1.00 25.35 C ATOM 376 NZ LYS A 21 -19.910 -16.080 -11.135 1.00 44.24 N ATOM 0 H LYS A 21 -22.684 -10.238 -8.333 1.00 73.23 H new ATOM 0 HA LYS A 21 -23.843 -11.655 -10.403 1.00 20.20 H new ATOM 0 HB2 LYS A 21 -21.663 -12.124 -9.255 1.00 71.13 H new ATOM 0 HB3 LYS A 21 -22.544 -12.734 -7.868 1.00 71.13 H new ATOM 0 HG2 LYS A 21 -23.340 -14.628 -9.046 1.00 11.23 H new ATOM 0 HG3 LYS A 21 -23.005 -13.916 -10.612 1.00 11.23 H new ATOM 0 HD2 LYS A 21 -20.562 -14.049 -9.035 1.00 72.31 H new ATOM 0 HD3 LYS A 21 -21.325 -15.626 -9.094 1.00 72.31 H new ATOM 0 HE2 LYS A 21 -21.596 -14.928 -11.702 1.00 25.35 H new ATOM 0 HE3 LYS A 21 -20.171 -13.985 -11.315 1.00 25.35 H new ATOM 0 HZ1 LYS A 21 -19.578 -16.179 -12.116 1.00 44.24 H new ATOM 0 HZ2 LYS A 21 -19.091 -16.001 -10.499 1.00 44.24 H new ATOM 0 HZ3 LYS A 21 -20.472 -16.915 -10.874 1.00 44.24 H new ATOM 390 N ALA A 22 -25.083 -12.677 -7.506 1.00 3.11 N ATOM 391 CA ALA A 22 -26.257 -13.274 -6.883 1.00 32.32 C ATOM 392 C ALA A 22 -27.099 -12.219 -6.173 1.00 24.12 C ATOM 393 O ALA A 22 -28.216 -11.919 -6.590 1.00 13.32 O ATOM 394 CB ALA A 22 -25.840 -14.364 -5.906 1.00 61.15 C ATOM 0 H ALA A 22 -24.296 -12.534 -6.873 1.00 3.11 H new ATOM 0 HA ALA A 22 -26.867 -13.719 -7.669 1.00 32.32 H new ATOM 0 HB1 ALA A 22 -26.727 -14.801 -5.448 1.00 61.15 H new ATOM 0 HB2 ALA A 22 -25.288 -15.138 -6.439 1.00 61.15 H new ATOM 0 HB3 ALA A 22 -25.206 -13.934 -5.131 1.00 61.15 H new ATOM 400 N GLY A 23 -26.554 -11.660 -5.097 1.00 4.24 N ATOM 401 CA GLY A 23 -27.269 -10.645 -4.346 1.00 3.35 C ATOM 402 C GLY A 23 -27.901 -11.196 -3.083 1.00 11.31 C ATOM 403 O GLY A 23 -29.124 -11.267 -2.955 1.00 44.04 O ATOM 0 H GLY A 23 -25.630 -11.892 -4.732 1.00 4.24 H new ATOM 0 HA2 GLY A 23 -26.582 -9.840 -4.084 1.00 3.35 H new ATOM 0 HA3 GLY A 23 -28.044 -10.210 -4.976 1.00 3.35 H new ATOM 407 N PRO A 24 -27.057 -11.599 -2.121 1.00 75.24 N ATOM 408 CA PRO A 24 -27.519 -12.155 -0.846 1.00 4.03 C ATOM 409 C PRO A 24 -28.180 -11.104 0.039 1.00 2.13 C ATOM 410 O PRO A 24 -28.089 -9.906 -0.230 1.00 34.53 O ATOM 411 CB PRO A 24 -26.231 -12.668 -0.196 1.00 40.20 C ATOM 412 CG PRO A 24 -25.148 -11.842 -0.799 1.00 4.00 C ATOM 413 CD PRO A 24 -25.588 -11.543 -2.205 1.00 74.43 C ATOM 0 HA PRO A 24 -28.278 -12.925 -0.988 1.00 4.03 H new ATOM 0 HB2 PRO A 24 -26.261 -12.552 0.887 1.00 40.20 H new ATOM 0 HB3 PRO A 24 -26.080 -13.728 -0.399 1.00 40.20 H new ATOM 0 HG2 PRO A 24 -24.998 -10.922 -0.233 1.00 4.00 H new ATOM 0 HG3 PRO A 24 -24.199 -12.378 -0.793 1.00 4.00 H new ATOM 0 HD2 PRO A 24 -25.241 -10.564 -2.535 1.00 74.43 H new ATOM 0 HD3 PRO A 24 -25.198 -12.274 -2.913 1.00 74.43 H new ATOM 421 N ALA A 25 -28.844 -11.560 1.096 1.00 11.12 N ATOM 422 CA ALA A 25 -29.518 -10.658 2.022 1.00 32.31 C ATOM 423 C ALA A 25 -28.674 -10.421 3.270 1.00 50.23 C ATOM 424 O ALA A 25 -28.641 -9.314 3.808 1.00 42.14 O ATOM 425 CB ALA A 25 -30.882 -11.216 2.403 1.00 4.14 C ATOM 0 H ALA A 25 -28.930 -12.549 1.332 1.00 11.12 H new ATOM 0 HA ALA A 25 -29.656 -9.700 1.521 1.00 32.31 H new ATOM 0 HB1 ALA A 25 -31.374 -10.533 3.095 1.00 4.14 H new ATOM 0 HB2 ALA A 25 -31.493 -11.328 1.507 1.00 4.14 H new ATOM 0 HB3 ALA A 25 -30.757 -12.188 2.880 1.00 4.14 H new ATOM 431 N VAL A 26 -27.993 -11.467 3.726 1.00 60.21 N ATOM 432 CA VAL A 26 -27.148 -11.372 4.910 1.00 31.14 C ATOM 433 C VAL A 26 -26.116 -10.260 4.761 1.00 20.13 C ATOM 434 O VAL A 26 -26.050 -9.347 5.583 1.00 3.32 O ATOM 435 CB VAL A 26 -26.419 -12.700 5.188 1.00 73.31 C ATOM 436 CG1 VAL A 26 -25.553 -12.584 6.433 1.00 71.21 C ATOM 437 CG2 VAL A 26 -27.420 -13.837 5.329 1.00 61.43 C ATOM 0 H VAL A 26 -28.010 -12.390 3.293 1.00 60.21 H new ATOM 0 HA VAL A 26 -27.805 -11.144 5.750 1.00 31.14 H new ATOM 0 HB VAL A 26 -25.768 -12.921 4.342 1.00 73.31 H new ATOM 0 HG11 VAL A 26 -25.046 -13.532 6.613 1.00 71.21 H new ATOM 0 HG12 VAL A 26 -24.812 -11.798 6.289 1.00 71.21 H new ATOM 0 HG13 VAL A 26 -26.180 -12.339 7.291 1.00 71.21 H new ATOM 0 HG21 VAL A 26 -26.888 -14.768 5.525 1.00 61.43 H new ATOM 0 HG22 VAL A 26 -28.097 -13.625 6.156 1.00 61.43 H new ATOM 0 HG23 VAL A 26 -27.993 -13.934 4.407 1.00 61.43 H new ATOM 447 N ALA A 27 -25.312 -10.344 3.706 1.00 31.03 N ATOM 448 CA ALA A 27 -24.284 -9.343 3.448 1.00 73.44 C ATOM 449 C ALA A 27 -24.886 -7.944 3.379 1.00 43.30 C ATOM 450 O ALA A 27 -24.417 -7.022 4.047 1.00 20.23 O ATOM 451 CB ALA A 27 -23.546 -9.667 2.157 1.00 0.41 C ATOM 0 H ALA A 27 -25.353 -11.095 3.017 1.00 31.03 H new ATOM 0 HA ALA A 27 -23.574 -9.364 4.275 1.00 73.44 H new ATOM 0 HB1 ALA A 27 -22.781 -8.912 1.976 1.00 0.41 H new ATOM 0 HB2 ALA A 27 -23.076 -10.647 2.243 1.00 0.41 H new ATOM 0 HB3 ALA A 27 -24.252 -9.675 1.327 1.00 0.41 H new ATOM 457 N VAL A 28 -25.926 -7.791 2.566 1.00 52.10 N ATOM 458 CA VAL A 28 -26.592 -6.503 2.410 1.00 31.23 C ATOM 459 C VAL A 28 -27.088 -5.975 3.752 1.00 64.02 C ATOM 460 O VAL A 28 -26.658 -4.917 4.211 1.00 14.44 O ATOM 461 CB VAL A 28 -27.783 -6.601 1.438 1.00 22.01 C ATOM 462 CG1 VAL A 28 -28.476 -5.254 1.305 1.00 2.41 C ATOM 463 CG2 VAL A 28 -27.321 -7.109 0.080 1.00 11.34 C ATOM 0 H VAL A 28 -26.326 -8.543 2.005 1.00 52.10 H new ATOM 0 HA VAL A 28 -25.854 -5.813 2.001 1.00 31.23 H new ATOM 0 HB VAL A 28 -28.502 -7.314 1.842 1.00 22.01 H new ATOM 0 HG11 VAL A 28 -29.315 -5.343 0.614 1.00 2.41 H new ATOM 0 HG12 VAL A 28 -28.842 -4.935 2.281 1.00 2.41 H new ATOM 0 HG13 VAL A 28 -27.769 -4.517 0.924 1.00 2.41 H new ATOM 0 HG21 VAL A 28 -28.175 -7.172 -0.595 1.00 11.34 H new ATOM 0 HG22 VAL A 28 -26.582 -6.422 -0.333 1.00 11.34 H new ATOM 0 HG23 VAL A 28 -26.875 -8.097 0.194 1.00 11.34 H new ATOM 473 N VAL A 29 -27.994 -6.720 4.377 1.00 51.13 N ATOM 474 CA VAL A 29 -28.548 -6.328 5.667 1.00 4.13 C ATOM 475 C VAL A 29 -27.441 -6.018 6.669 1.00 63.41 C ATOM 476 O VAL A 29 -27.421 -4.950 7.278 1.00 51.42 O ATOM 477 CB VAL A 29 -29.456 -7.429 6.246 1.00 23.03 C ATOM 478 CG1 VAL A 29 -30.000 -7.013 7.604 1.00 21.25 C ATOM 479 CG2 VAL A 29 -30.589 -7.746 5.283 1.00 54.54 C ATOM 0 H VAL A 29 -28.360 -7.599 4.011 1.00 51.13 H new ATOM 0 HA VAL A 29 -29.142 -5.430 5.497 1.00 4.13 H new ATOM 0 HB VAL A 29 -28.861 -8.332 6.381 1.00 23.03 H new ATOM 0 HG11 VAL A 29 -30.639 -7.803 7.997 1.00 21.25 H new ATOM 0 HG12 VAL A 29 -29.171 -6.841 8.291 1.00 21.25 H new ATOM 0 HG13 VAL A 29 -30.580 -6.096 7.498 1.00 21.25 H new ATOM 0 HG21 VAL A 29 -31.221 -8.526 5.708 1.00 54.54 H new ATOM 0 HG22 VAL A 29 -31.185 -6.849 5.114 1.00 54.54 H new ATOM 0 HG23 VAL A 29 -30.175 -8.091 4.335 1.00 54.54 H new ATOM 489 N GLY A 30 -26.519 -6.962 6.834 1.00 22.24 N ATOM 490 CA GLY A 30 -25.420 -6.771 7.763 1.00 32.33 C ATOM 491 C GLY A 30 -24.617 -5.522 7.462 1.00 0.42 C ATOM 492 O GLY A 30 -24.501 -4.633 8.306 1.00 73.13 O ATOM 0 H GLY A 30 -26.513 -7.855 6.341 1.00 22.24 H new ATOM 0 HA2 GLY A 30 -25.813 -6.711 8.778 1.00 32.33 H new ATOM 0 HA3 GLY A 30 -24.762 -7.640 7.727 1.00 32.33 H new ATOM 496 N GLN A 31 -24.060 -5.454 6.257 1.00 22.14 N ATOM 497 CA GLN A 31 -23.261 -4.305 5.849 1.00 11.40 C ATOM 498 C GLN A 31 -24.033 -3.005 6.053 1.00 30.21 C ATOM 499 O GLN A 31 -23.579 -2.107 6.760 1.00 3.45 O ATOM 500 CB GLN A 31 -22.846 -4.440 4.383 1.00 71.20 C ATOM 501 CG GLN A 31 -21.889 -3.354 3.919 1.00 72.14 C ATOM 502 CD GLN A 31 -20.967 -3.823 2.810 1.00 34.23 C ATOM 503 OE1 GLN A 31 -21.305 -3.739 1.629 1.00 3.30 O ATOM 504 NE2 GLN A 31 -19.795 -4.322 3.186 1.00 53.40 N ATOM 0 H GLN A 31 -24.147 -6.181 5.547 1.00 22.14 H new ATOM 0 HA GLN A 31 -22.367 -4.277 6.471 1.00 11.40 H new ATOM 0 HB2 GLN A 31 -22.378 -5.413 4.235 1.00 71.20 H new ATOM 0 HB3 GLN A 31 -23.739 -4.417 3.758 1.00 71.20 H new ATOM 0 HG2 GLN A 31 -22.462 -2.495 3.571 1.00 72.14 H new ATOM 0 HG3 GLN A 31 -21.291 -3.016 4.765 1.00 72.14 H new ATOM 0 HE21 GLN A 31 -19.556 -4.373 4.176 1.00 53.40 H new ATOM 0 HE22 GLN A 31 -19.134 -4.655 2.484 1.00 53.40 H new ATOM 513 N ALA A 32 -25.202 -2.913 5.428 1.00 34.14 N ATOM 514 CA ALA A 32 -26.038 -1.724 5.543 1.00 72.30 C ATOM 515 C ALA A 32 -26.290 -1.369 7.004 1.00 33.34 C ATOM 516 O ALA A 32 -26.008 -0.253 7.439 1.00 32.34 O ATOM 517 CB ALA A 32 -27.357 -1.934 4.814 1.00 61.04 C ATOM 0 H ALA A 32 -25.592 -3.647 4.837 1.00 34.14 H new ATOM 0 HA ALA A 32 -25.508 -0.891 5.080 1.00 72.30 H new ATOM 0 HB1 ALA A 32 -27.971 -1.039 4.908 1.00 61.04 H new ATOM 0 HB2 ALA A 32 -27.163 -2.132 3.760 1.00 61.04 H new ATOM 0 HB3 ALA A 32 -27.883 -2.783 5.251 1.00 61.04 H new ATOM 523 N ALA A 33 -26.824 -2.326 7.757 1.00 2.33 N ATOM 524 CA ALA A 33 -27.113 -2.114 9.170 1.00 3.12 C ATOM 525 C ALA A 33 -25.874 -1.631 9.917 1.00 12.33 C ATOM 526 O ALA A 33 -25.948 -0.714 10.736 1.00 41.41 O ATOM 527 CB ALA A 33 -27.644 -3.394 9.798 1.00 53.21 C ATOM 0 H ALA A 33 -27.065 -3.255 7.412 1.00 2.33 H new ATOM 0 HA ALA A 33 -27.877 -1.340 9.247 1.00 3.12 H new ATOM 0 HB1 ALA A 33 -27.855 -3.221 10.853 1.00 53.21 H new ATOM 0 HB2 ALA A 33 -28.559 -3.696 9.289 1.00 53.21 H new ATOM 0 HB3 ALA A 33 -26.898 -4.183 9.702 1.00 53.21 H new ATOM 533 N THR A 34 -24.735 -2.254 9.631 1.00 33.12 N ATOM 534 CA THR A 34 -23.481 -1.889 10.277 1.00 30.14 C ATOM 535 C THR A 34 -23.059 -0.474 9.898 1.00 24.41 C ATOM 536 O THR A 34 -22.604 0.296 10.744 1.00 53.53 O ATOM 537 CB THR A 34 -22.351 -2.867 9.904 1.00 33.42 C ATOM 538 OG1 THR A 34 -22.733 -4.207 10.237 1.00 55.24 O ATOM 539 CG2 THR A 34 -21.063 -2.508 10.628 1.00 2.24 C ATOM 0 H THR A 34 -24.656 -3.014 8.956 1.00 33.12 H new ATOM 0 HA THR A 34 -23.653 -1.938 11.352 1.00 30.14 H new ATOM 0 HB THR A 34 -22.178 -2.794 8.830 1.00 33.42 H new ATOM 0 HG1 THR A 34 -23.141 -4.635 9.455 1.00 55.24 H new ATOM 0 HG21 THR A 34 -20.280 -3.213 10.348 1.00 2.24 H new ATOM 0 HG22 THR A 34 -20.759 -1.499 10.351 1.00 2.24 H new ATOM 0 HG23 THR A 34 -21.226 -2.555 11.705 1.00 2.24 H new ATOM 547 N VAL A 35 -23.212 -0.138 8.621 1.00 24.31 N ATOM 548 CA VAL A 35 -22.847 1.185 8.130 1.00 15.40 C ATOM 549 C VAL A 35 -23.777 2.255 8.692 1.00 72.00 C ATOM 550 O VAL A 35 -23.343 3.359 9.023 1.00 74.41 O ATOM 551 CB VAL A 35 -22.887 1.244 6.591 1.00 23.44 C ATOM 552 CG1 VAL A 35 -22.522 2.636 6.100 1.00 12.21 C ATOM 553 CG2 VAL A 35 -21.956 0.198 5.995 1.00 1.43 C ATOM 0 H VAL A 35 -23.586 -0.764 7.908 1.00 24.31 H new ATOM 0 HA VAL A 35 -21.829 1.378 8.467 1.00 15.40 H new ATOM 0 HB VAL A 35 -23.903 1.024 6.262 1.00 23.44 H new ATOM 0 HG11 VAL A 35 -22.556 2.658 5.011 1.00 12.21 H new ATOM 0 HG12 VAL A 35 -23.232 3.360 6.500 1.00 12.21 H new ATOM 0 HG13 VAL A 35 -21.517 2.889 6.437 1.00 12.21 H new ATOM 0 HG21 VAL A 35 -21.996 0.253 4.907 1.00 1.43 H new ATOM 0 HG22 VAL A 35 -20.936 0.385 6.331 1.00 1.43 H new ATOM 0 HG23 VAL A 35 -22.268 -0.794 6.320 1.00 1.43 H new ATOM 563 N VAL A 36 -25.059 1.921 8.798 1.00 74.41 N ATOM 564 CA VAL A 36 -26.052 2.852 9.322 1.00 64.33 C ATOM 565 C VAL A 36 -25.912 3.011 10.831 1.00 13.44 C ATOM 566 O VAL A 36 -25.735 4.120 11.336 1.00 11.32 O ATOM 567 CB VAL A 36 -27.484 2.388 8.995 1.00 3.14 C ATOM 568 CG1 VAL A 36 -28.504 3.359 9.571 1.00 25.31 C ATOM 569 CG2 VAL A 36 -27.666 2.240 7.492 1.00 22.25 C ATOM 0 H VAL A 36 -25.435 1.012 8.528 1.00 74.41 H new ATOM 0 HA VAL A 36 -25.871 3.813 8.840 1.00 64.33 H new ATOM 0 HB VAL A 36 -27.646 1.413 9.455 1.00 3.14 H new ATOM 0 HG11 VAL A 36 -29.510 3.015 9.330 1.00 25.31 H new ATOM 0 HG12 VAL A 36 -28.387 3.410 10.654 1.00 25.31 H new ATOM 0 HG13 VAL A 36 -28.347 4.349 9.142 1.00 25.31 H new ATOM 0 HG21 VAL A 36 -28.683 1.912 7.279 1.00 22.25 H new ATOM 0 HG22 VAL A 36 -27.486 3.200 7.007 1.00 22.25 H new ATOM 0 HG23 VAL A 36 -26.960 1.503 7.111 1.00 22.25 H new ATOM 579 N LYS A 37 -25.993 1.896 11.549 1.00 71.23 N ATOM 580 CA LYS A 37 -25.874 1.910 13.002 1.00 74.32 C ATOM 581 C LYS A 37 -24.464 1.523 13.436 1.00 12.53 C ATOM 582 O LYS A 37 -23.745 2.328 14.029 1.00 22.34 O ATOM 583 CB LYS A 37 -26.892 0.952 13.626 1.00 10.33 C ATOM 584 CG LYS A 37 -27.872 1.634 14.566 1.00 43.13 C ATOM 585 CD LYS A 37 -28.860 2.503 13.806 1.00 2.31 C ATOM 586 CE LYS A 37 -29.308 3.695 14.638 1.00 41.22 C ATOM 587 NZ LYS A 37 -28.473 4.900 14.375 1.00 54.21 N ATOM 0 H LYS A 37 -26.141 0.970 11.148 1.00 71.23 H new ATOM 0 HA LYS A 37 -26.077 2.923 13.349 1.00 74.32 H new ATOM 0 HB2 LYS A 37 -27.449 0.458 12.830 1.00 10.33 H new ATOM 0 HB3 LYS A 37 -26.359 0.174 14.172 1.00 10.33 H new ATOM 0 HG2 LYS A 37 -28.414 0.880 15.138 1.00 43.13 H new ATOM 0 HG3 LYS A 37 -27.324 2.246 15.283 1.00 43.13 H new ATOM 0 HD2 LYS A 37 -28.401 2.855 12.882 1.00 2.31 H new ATOM 0 HD3 LYS A 37 -29.728 1.908 13.524 1.00 2.31 H new ATOM 0 HE2 LYS A 37 -30.351 3.921 14.417 1.00 41.22 H new ATOM 0 HE3 LYS A 37 -29.254 3.440 15.696 1.00 41.22 H new ATOM 0 HZ1 LYS A 37 -28.810 5.690 14.961 1.00 54.21 H new ATOM 0 HZ2 LYS A 37 -27.481 4.693 14.610 1.00 54.21 H new ATOM 0 HZ3 LYS A 37 -28.544 5.159 13.370 1.00 54.21 H new HETATM 601 N NH2 A 38 -24.075 0.289 13.136 1.00 64.40 N TER 603 NH2 A 38