USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=1 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+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0101 K(o=-0.01,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.67) USER MOD Single : A 34 THR OG1 : rot 74:sc= 1.04 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.025 -0.852 -0.367 1.00 1.11 N ATOM 2 CA ARG A 1 2.049 -1.178 -1.399 1.00 53.45 C ATOM 3 C ARG A 1 1.398 -2.530 -1.125 1.00 33.10 C ATOM 4 O ARG A 1 1.843 -3.559 -1.634 1.00 12.21 O ATOM 5 CB ARG A 1 2.716 -1.191 -2.776 1.00 53.31 C ATOM 6 CG ARG A 1 3.003 0.197 -3.327 1.00 24.53 C ATOM 7 CD ARG A 1 4.479 0.546 -3.213 1.00 61.13 C ATOM 8 NE ARG A 1 4.691 1.982 -3.052 1.00 73.14 N ATOM 9 CZ ARG A 1 4.499 2.867 -4.025 1.00 21.53 C ATOM 10 NH1 ARG A 1 4.093 2.464 -5.221 1.00 42.10 N ATOM 11 NH2 ARG A 1 4.713 4.157 -3.801 1.00 20.20 N ATOM 0 H1 ARG A 1 3.455 0.072 -0.575 1.00 1.11 H new ATOM 0 H2 ARG A 1 2.552 -0.814 0.558 1.00 1.11 H new ATOM 0 H3 ARG A 1 3.766 -1.582 -0.347 1.00 1.11 H new ATOM 0 HA ARG A 1 1.274 -0.412 -1.385 1.00 53.45 H new ATOM 0 HB2 ARG A 1 3.651 -1.748 -2.712 1.00 53.31 H new ATOM 0 HB3 ARG A 1 2.074 -1.725 -3.476 1.00 53.31 H new ATOM 0 HG2 ARG A 1 2.696 0.246 -4.372 1.00 24.53 H new ATOM 0 HG3 ARG A 1 2.410 0.935 -2.786 1.00 24.53 H new ATOM 0 HD2 ARG A 1 4.912 0.018 -2.363 1.00 61.13 H new ATOM 0 HD3 ARG A 1 5.003 0.200 -4.104 1.00 61.13 H new ATOM 0 HE ARG A 1 5.003 2.324 -2.143 1.00 73.14 H new ATOM 0 HH11 ARG A 1 3.927 1.473 -5.396 1.00 42.10 H new ATOM 0 HH12 ARG A 1 3.946 3.145 -5.966 1.00 42.10 H new ATOM 0 HH21 ARG A 1 5.025 4.470 -2.882 1.00 20.20 H new ATOM 0 HH22 ARG A 1 4.566 4.836 -4.548 1.00 20.20 H new ATOM 25 N TRP A 2 0.343 -2.520 -0.318 1.00 23.03 N ATOM 26 CA TRP A 2 -0.368 -3.746 0.025 1.00 75.21 C ATOM 27 C TRP A 2 -1.745 -3.434 0.602 1.00 5.52 C ATOM 28 O TRP A 2 -2.757 -3.963 0.142 1.00 2.45 O ATOM 29 CB TRP A 2 0.444 -4.569 1.027 1.00 54.34 C ATOM 30 CG TRP A 2 0.007 -6.000 1.112 1.00 10.13 C ATOM 31 CD1 TRP A 2 -0.162 -6.869 0.072 1.00 13.24 C ATOM 32 CD2 TRP A 2 -0.318 -6.727 2.302 1.00 24.12 C ATOM 33 NE1 TRP A 2 -0.573 -8.092 0.544 1.00 24.42 N ATOM 34 CE2 TRP A 2 -0.674 -8.032 1.909 1.00 55.32 C ATOM 35 CE3 TRP A 2 -0.339 -6.404 3.662 1.00 54.15 C ATOM 36 CZ2 TRP A 2 -1.049 -9.009 2.827 1.00 73.34 C ATOM 37 CZ3 TRP A 2 -0.712 -7.375 4.571 1.00 21.12 C ATOM 38 CH2 TRP A 2 -1.062 -8.665 4.151 1.00 20.30 C ATOM 0 H TRP A 2 -0.039 -1.677 0.111 1.00 23.03 H new ATOM 0 HA TRP A 2 -0.500 -4.327 -0.888 1.00 75.21 H new ATOM 0 HB2 TRP A 2 1.497 -4.534 0.747 1.00 54.34 H new ATOM 0 HB3 TRP A 2 0.361 -4.112 2.013 1.00 54.34 H new ATOM 0 HD1 TRP A 2 0.003 -6.630 -0.968 1.00 13.24 H new ATOM 0 HE1 TRP A 2 -0.771 -8.912 -0.029 1.00 24.42 H new ATOM 0 HE3 TRP A 2 -0.068 -5.413 3.996 1.00 54.15 H new ATOM 0 HZ2 TRP A 2 -1.320 -10.004 2.505 1.00 73.34 H new ATOM 0 HZ3 TRP A 2 -0.734 -7.136 5.624 1.00 21.12 H new ATOM 0 HH2 TRP A 2 -1.348 -9.402 4.887 1.00 20.30 H new ATOM 49 N LYS A 3 -1.776 -2.571 1.612 1.00 3.31 N ATOM 50 CA LYS A 3 -3.028 -2.186 2.252 1.00 50.20 C ATOM 51 C LYS A 3 -4.049 -1.726 1.216 1.00 12.04 C ATOM 52 O LYS A 3 -4.996 -2.448 0.902 1.00 12.32 O ATOM 53 CB LYS A 3 -2.782 -1.071 3.271 1.00 33.24 C ATOM 54 CG LYS A 3 -2.097 -1.548 4.540 1.00 10.34 C ATOM 55 CD LYS A 3 -1.674 -0.381 5.418 1.00 74.33 C ATOM 56 CE LYS A 3 -2.548 -0.272 6.658 1.00 41.51 C ATOM 57 NZ LYS A 3 -2.160 -1.263 7.699 1.00 30.01 N ATOM 0 H LYS A 3 -0.947 -2.125 2.005 1.00 3.31 H new ATOM 0 HA LYS A 3 -3.427 -3.059 2.768 1.00 50.20 H new ATOM 0 HB2 LYS A 3 -2.172 -0.295 2.808 1.00 33.24 H new ATOM 0 HB3 LYS A 3 -3.736 -0.613 3.533 1.00 33.24 H new ATOM 0 HG2 LYS A 3 -2.772 -2.197 5.097 1.00 10.34 H new ATOM 0 HG3 LYS A 3 -1.223 -2.145 4.280 1.00 10.34 H new ATOM 0 HD2 LYS A 3 -0.633 -0.506 5.715 1.00 74.33 H new ATOM 0 HD3 LYS A 3 -1.733 0.546 4.847 1.00 74.33 H new ATOM 0 HE2 LYS A 3 -2.472 0.735 7.069 1.00 41.51 H new ATOM 0 HE3 LYS A 3 -3.591 -0.425 6.382 1.00 41.51 H new ATOM 0 HZ1 LYS A 3 -2.779 -1.156 8.528 1.00 30.01 H new ATOM 0 HZ2 LYS A 3 -2.257 -2.225 7.316 1.00 30.01 H new ATOM 0 HZ3 LYS A 3 -1.172 -1.101 7.982 1.00 30.01 H new ATOM 71 N ILE A 4 -3.850 -0.523 0.689 1.00 2.23 N ATOM 72 CA ILE A 4 -4.752 0.031 -0.313 1.00 32.14 C ATOM 73 C ILE A 4 -4.942 -0.937 -1.476 1.00 11.51 C ATOM 74 O ILE A 4 -6.029 -1.033 -2.046 1.00 71.01 O ATOM 75 CB ILE A 4 -4.233 1.375 -0.857 1.00 21.22 C ATOM 76 CG1 ILE A 4 -2.853 1.193 -1.493 1.00 53.42 C ATOM 77 CG2 ILE A 4 -4.177 2.411 0.256 1.00 23.31 C ATOM 78 CD1 ILE A 4 -2.894 1.073 -3.000 1.00 74.44 C ATOM 0 H ILE A 4 -3.072 0.087 0.939 1.00 2.23 H new ATOM 0 HA ILE A 4 -5.710 0.195 0.181 1.00 32.14 H new ATOM 0 HB ILE A 4 -4.922 1.731 -1.623 1.00 21.22 H new ATOM 0 HG12 ILE A 4 -2.222 2.039 -1.221 1.00 53.42 H new ATOM 0 HG13 ILE A 4 -2.385 0.300 -1.078 1.00 53.42 H new ATOM 0 HG21 ILE A 4 -3.808 3.355 -0.144 1.00 23.31 H new ATOM 0 HG22 ILE A 4 -5.176 2.557 0.668 1.00 23.31 H new ATOM 0 HG23 ILE A 4 -3.507 2.064 1.043 1.00 23.31 H new ATOM 0 HD11 ILE A 4 -1.881 0.946 -3.383 1.00 74.44 H new ATOM 0 HD12 ILE A 4 -3.498 0.210 -3.280 1.00 74.44 H new ATOM 0 HD13 ILE A 4 -3.332 1.976 -3.425 1.00 74.44 H new ATOM 90 N PHE A 5 -3.878 -1.653 -1.822 1.00 42.14 N ATOM 91 CA PHE A 5 -3.927 -2.614 -2.918 1.00 21.54 C ATOM 92 C PHE A 5 -4.983 -3.684 -2.655 1.00 24.51 C ATOM 93 O PHE A 5 -6.015 -3.732 -3.323 1.00 55.33 O ATOM 94 CB PHE A 5 -2.558 -3.269 -3.111 1.00 62.51 C ATOM 95 CG PHE A 5 -1.922 -2.950 -4.434 1.00 1.22 C ATOM 96 CD1 PHE A 5 -2.333 -3.595 -5.589 1.00 1.10 C ATOM 97 CD2 PHE A 5 -0.913 -2.004 -4.522 1.00 23.53 C ATOM 98 CE1 PHE A 5 -1.750 -3.303 -6.808 1.00 11.21 C ATOM 99 CE2 PHE A 5 -0.327 -1.708 -5.738 1.00 5.03 C ATOM 100 CZ PHE A 5 -0.745 -2.359 -6.882 1.00 2.21 C ATOM 0 H PHE A 5 -2.971 -1.586 -1.360 1.00 42.14 H new ATOM 0 HA PHE A 5 -4.197 -2.078 -3.828 1.00 21.54 H new ATOM 0 HB2 PHE A 5 -1.893 -2.946 -2.310 1.00 62.51 H new ATOM 0 HB3 PHE A 5 -2.665 -4.350 -3.020 1.00 62.51 H new ATOM 0 HD1 PHE A 5 -3.118 -4.335 -5.537 1.00 1.10 H new ATOM 0 HD2 PHE A 5 -0.581 -1.493 -3.631 1.00 23.53 H new ATOM 0 HE1 PHE A 5 -2.080 -3.813 -7.701 1.00 11.21 H new ATOM 0 HE2 PHE A 5 0.458 -0.968 -5.794 1.00 5.03 H new ATOM 0 HZ PHE A 5 -0.287 -2.130 -7.833 1.00 2.21 H new ATOM 110 N LYS A 6 -4.715 -4.543 -1.677 1.00 34.13 N ATOM 111 CA LYS A 6 -5.641 -5.613 -1.323 1.00 64.12 C ATOM 112 C LYS A 6 -7.002 -5.048 -0.932 1.00 53.12 C ATOM 113 O LYS A 6 -8.040 -5.645 -1.220 1.00 21.14 O ATOM 114 CB LYS A 6 -5.073 -6.447 -0.172 1.00 41.41 C ATOM 115 CG LYS A 6 -3.995 -7.426 -0.604 1.00 52.10 C ATOM 116 CD LYS A 6 -4.109 -8.745 0.142 1.00 5.43 C ATOM 117 CE LYS A 6 -4.731 -9.826 -0.728 1.00 13.33 C ATOM 118 NZ LYS A 6 -4.866 -11.116 0.003 1.00 70.31 N ATOM 0 H LYS A 6 -3.864 -4.519 -1.115 1.00 34.13 H new ATOM 0 HA LYS A 6 -5.770 -6.251 -2.197 1.00 64.12 H new ATOM 0 HB2 LYS A 6 -4.662 -5.777 0.583 1.00 41.41 H new ATOM 0 HB3 LYS A 6 -5.885 -6.999 0.301 1.00 41.41 H new ATOM 0 HG2 LYS A 6 -4.073 -7.605 -1.676 1.00 52.10 H new ATOM 0 HG3 LYS A 6 -3.013 -6.989 -0.425 1.00 52.10 H new ATOM 0 HD2 LYS A 6 -3.120 -9.065 0.470 1.00 5.43 H new ATOM 0 HD3 LYS A 6 -4.713 -8.606 1.039 1.00 5.43 H new ATOM 0 HE2 LYS A 6 -5.713 -9.497 -1.069 1.00 13.33 H new ATOM 0 HE3 LYS A 6 -4.118 -9.975 -1.617 1.00 13.33 H new ATOM 0 HZ1 LYS A 6 -5.294 -11.827 -0.624 1.00 70.31 H new ATOM 0 HZ2 LYS A 6 -3.927 -11.443 0.307 1.00 70.31 H new ATOM 0 HZ3 LYS A 6 -5.472 -10.980 0.837 1.00 70.31 H new ATOM 132 N LYS A 7 -6.992 -3.892 -0.276 1.00 60.34 N ATOM 133 CA LYS A 7 -8.226 -3.244 0.152 1.00 43.01 C ATOM 134 C LYS A 7 -9.094 -2.880 -1.048 1.00 71.02 C ATOM 135 O LYS A 7 -10.196 -3.405 -1.210 1.00 52.23 O ATOM 136 CB LYS A 7 -7.910 -1.987 0.966 1.00 63.30 C ATOM 137 CG LYS A 7 -9.146 -1.261 1.468 1.00 43.24 C ATOM 138 CD LYS A 7 -8.896 -0.598 2.812 1.00 44.32 C ATOM 139 CE LYS A 7 -10.181 -0.461 3.614 1.00 62.43 C ATOM 140 NZ LYS A 7 -10.542 0.965 3.845 1.00 62.32 N ATOM 0 H LYS A 7 -6.142 -3.385 -0.029 1.00 60.34 H new ATOM 0 HA LYS A 7 -8.778 -3.946 0.778 1.00 43.01 H new ATOM 0 HB2 LYS A 7 -7.290 -2.263 1.819 1.00 63.30 H new ATOM 0 HB3 LYS A 7 -7.322 -1.305 0.352 1.00 63.30 H new ATOM 0 HG2 LYS A 7 -9.447 -0.508 0.740 1.00 43.24 H new ATOM 0 HG3 LYS A 7 -9.972 -1.966 1.557 1.00 43.24 H new ATOM 0 HD2 LYS A 7 -8.173 -1.184 3.379 1.00 44.32 H new ATOM 0 HD3 LYS A 7 -8.456 0.387 2.657 1.00 44.32 H new ATOM 0 HE2 LYS A 7 -10.993 -0.960 3.086 1.00 62.43 H new ATOM 0 HE3 LYS A 7 -10.066 -0.966 4.573 1.00 62.43 H new ATOM 0 HZ1 LYS A 7 -11.423 1.015 4.395 1.00 62.32 H new ATOM 0 HZ2 LYS A 7 -9.778 1.436 4.371 1.00 62.32 H new ATOM 0 HZ3 LYS A 7 -10.677 1.441 2.930 1.00 62.32 H new ATOM 154 N ILE A 8 -8.590 -1.981 -1.886 1.00 51.43 N ATOM 155 CA ILE A 8 -9.319 -1.550 -3.072 1.00 53.55 C ATOM 156 C ILE A 8 -9.599 -2.725 -4.003 1.00 14.21 C ATOM 157 O ILE A 8 -10.681 -2.828 -4.580 1.00 15.33 O ATOM 158 CB ILE A 8 -8.544 -0.469 -3.848 1.00 43.43 C ATOM 159 CG1 ILE A 8 -8.301 0.753 -2.959 1.00 70.14 C ATOM 160 CG2 ILE A 8 -9.302 -0.073 -5.106 1.00 51.34 C ATOM 161 CD1 ILE A 8 -9.572 1.462 -2.547 1.00 41.10 C ATOM 0 H ILE A 8 -7.680 -1.537 -1.766 1.00 51.43 H new ATOM 0 HA ILE A 8 -10.264 -1.130 -2.726 1.00 53.55 H new ATOM 0 HB ILE A 8 -7.578 -0.878 -4.143 1.00 43.43 H new ATOM 0 HG12 ILE A 8 -7.763 0.440 -2.064 1.00 70.14 H new ATOM 0 HG13 ILE A 8 -7.658 1.456 -3.489 1.00 70.14 H new ATOM 0 HG21 ILE A 8 -8.741 0.692 -5.643 1.00 51.34 H new ATOM 0 HG22 ILE A 8 -9.428 -0.947 -5.745 1.00 51.34 H new ATOM 0 HG23 ILE A 8 -10.281 0.320 -4.832 1.00 51.34 H new ATOM 0 HD11 ILE A 8 -9.324 2.318 -1.919 1.00 41.10 H new ATOM 0 HD12 ILE A 8 -10.101 1.806 -3.436 1.00 41.10 H new ATOM 0 HD13 ILE A 8 -10.208 0.774 -1.989 1.00 41.10 H new ATOM 173 N GLU A 9 -8.617 -3.609 -4.142 1.00 60.52 N ATOM 174 CA GLU A 9 -8.759 -4.779 -5.002 1.00 40.52 C ATOM 175 C GLU A 9 -9.889 -5.680 -4.513 1.00 2.02 C ATOM 176 O GLU A 9 -10.775 -6.057 -5.280 1.00 40.30 O ATOM 177 CB GLU A 9 -7.448 -5.566 -5.050 1.00 60.13 C ATOM 178 CG GLU A 9 -7.420 -6.637 -6.128 1.00 53.43 C ATOM 179 CD GLU A 9 -7.337 -6.055 -7.526 1.00 40.12 C ATOM 180 OE1 GLU A 9 -7.331 -4.813 -7.653 1.00 43.31 O ATOM 181 OE2 GLU A 9 -7.278 -6.843 -8.493 1.00 42.14 O ATOM 0 H GLU A 9 -7.715 -3.538 -3.671 1.00 60.52 H new ATOM 0 HA GLU A 9 -9.003 -4.433 -6.006 1.00 40.52 H new ATOM 0 HB2 GLU A 9 -6.624 -4.873 -5.217 1.00 60.13 H new ATOM 0 HB3 GLU A 9 -7.279 -6.034 -4.080 1.00 60.13 H new ATOM 0 HG2 GLU A 9 -6.566 -7.294 -5.961 1.00 53.43 H new ATOM 0 HG3 GLU A 9 -8.316 -7.252 -6.047 1.00 53.43 H new ATOM 188 N LYS A 10 -9.850 -6.023 -3.230 1.00 14.03 N ATOM 189 CA LYS A 10 -10.870 -6.879 -2.635 1.00 62.43 C ATOM 190 C LYS A 10 -12.225 -6.180 -2.617 1.00 11.30 C ATOM 191 O LYS A 10 -13.210 -6.699 -3.143 1.00 10.34 O ATOM 192 CB LYS A 10 -10.468 -7.273 -1.212 1.00 60.11 C ATOM 193 CG LYS A 10 -11.434 -8.243 -0.554 1.00 23.22 C ATOM 194 CD LYS A 10 -11.297 -9.643 -1.130 1.00 15.32 C ATOM 195 CE LYS A 10 -10.498 -10.550 -0.207 1.00 50.11 C ATOM 196 NZ LYS A 10 -11.307 -11.705 0.273 1.00 42.52 N ATOM 0 H LYS A 10 -9.123 -5.721 -2.582 1.00 14.03 H new ATOM 0 HA LYS A 10 -10.954 -7.779 -3.245 1.00 62.43 H new ATOM 0 HB2 LYS A 10 -9.475 -7.722 -1.235 1.00 60.11 H new ATOM 0 HB3 LYS A 10 -10.397 -6.373 -0.601 1.00 60.11 H new ATOM 0 HG2 LYS A 10 -11.249 -8.271 0.520 1.00 23.22 H new ATOM 0 HG3 LYS A 10 -12.456 -7.890 -0.692 1.00 23.22 H new ATOM 0 HD2 LYS A 10 -12.287 -10.069 -1.293 1.00 15.32 H new ATOM 0 HD3 LYS A 10 -10.808 -9.591 -2.103 1.00 15.32 H new ATOM 0 HE2 LYS A 10 -9.617 -10.917 -0.733 1.00 50.11 H new ATOM 0 HE3 LYS A 10 -10.142 -9.975 0.648 1.00 50.11 H new ATOM 0 HZ1 LYS A 10 -10.727 -12.299 0.899 1.00 42.52 H new ATOM 0 HZ2 LYS A 10 -12.135 -11.355 0.797 1.00 42.52 H new ATOM 0 HZ3 LYS A 10 -11.625 -12.268 -0.541 1.00 42.52 H new ATOM 210 N VAL A 11 -12.268 -4.998 -2.010 1.00 1.02 N ATOM 211 CA VAL A 11 -13.502 -4.226 -1.926 1.00 1.04 C ATOM 212 C VAL A 11 -14.083 -3.966 -3.311 1.00 33.52 C ATOM 213 O VAL A 11 -15.297 -3.848 -3.474 1.00 60.20 O ATOM 214 CB VAL A 11 -13.273 -2.878 -1.216 1.00 74.11 C ATOM 215 CG1 VAL A 11 -14.564 -2.075 -1.167 1.00 50.32 C ATOM 216 CG2 VAL A 11 -12.721 -3.100 0.184 1.00 64.34 C ATOM 0 H VAL A 11 -11.462 -4.554 -1.569 1.00 1.02 H new ATOM 0 HA VAL A 11 -14.208 -4.819 -1.345 1.00 1.04 H new ATOM 0 HB VAL A 11 -12.539 -2.308 -1.785 1.00 74.11 H new ATOM 0 HG11 VAL A 11 -14.383 -1.126 -0.662 1.00 50.32 H new ATOM 0 HG12 VAL A 11 -14.913 -1.885 -2.182 1.00 50.32 H new ATOM 0 HG13 VAL A 11 -15.322 -2.638 -0.622 1.00 50.32 H new ATOM 0 HG21 VAL A 11 -12.565 -2.137 0.671 1.00 64.34 H new ATOM 0 HG22 VAL A 11 -13.430 -3.690 0.765 1.00 64.34 H new ATOM 0 HG23 VAL A 11 -11.772 -3.632 0.121 1.00 64.34 H new ATOM 226 N GLY A 12 -13.208 -3.879 -4.308 1.00 24.43 N ATOM 227 CA GLY A 12 -13.653 -3.635 -5.667 1.00 41.10 C ATOM 228 C GLY A 12 -14.317 -4.848 -6.287 1.00 21.42 C ATOM 229 O GLY A 12 -15.313 -4.723 -7.000 1.00 24.11 O ATOM 0 H GLY A 12 -12.198 -3.973 -4.198 1.00 24.43 H new ATOM 0 HA2 GLY A 12 -14.353 -2.799 -5.672 1.00 41.10 H new ATOM 0 HA3 GLY A 12 -12.800 -3.340 -6.278 1.00 41.10 H new ATOM 233 N ARG A 13 -13.764 -6.026 -6.016 1.00 61.33 N ATOM 234 CA ARG A 13 -14.307 -7.267 -6.555 1.00 73.21 C ATOM 235 C ARG A 13 -15.514 -7.730 -5.743 1.00 65.23 C ATOM 236 O ARG A 13 -16.439 -8.338 -6.280 1.00 22.02 O ATOM 237 CB ARG A 13 -13.235 -8.358 -6.562 1.00 43.12 C ATOM 238 CG ARG A 13 -12.777 -8.753 -7.957 1.00 3.43 C ATOM 239 CD ARG A 13 -13.208 -10.169 -8.305 1.00 13.41 C ATOM 240 NE ARG A 13 -12.718 -10.584 -9.616 1.00 45.53 N ATOM 241 CZ ARG A 13 -11.443 -10.860 -9.870 1.00 53.35 C ATOM 242 NH1 ARG A 13 -10.536 -10.766 -8.908 1.00 15.02 N ATOM 243 NH2 ARG A 13 -11.074 -11.231 -11.090 1.00 31.13 N ATOM 0 H ARG A 13 -12.940 -6.147 -5.426 1.00 61.33 H new ATOM 0 HA ARG A 13 -14.630 -7.078 -7.579 1.00 73.21 H new ATOM 0 HB2 ARG A 13 -12.374 -8.013 -5.990 1.00 43.12 H new ATOM 0 HB3 ARG A 13 -13.623 -9.240 -6.053 1.00 43.12 H new ATOM 0 HG2 ARG A 13 -13.189 -8.056 -8.687 1.00 3.43 H new ATOM 0 HG3 ARG A 13 -11.692 -8.676 -8.020 1.00 3.43 H new ATOM 0 HD2 ARG A 13 -12.838 -10.857 -7.545 1.00 13.41 H new ATOM 0 HD3 ARG A 13 -14.296 -10.231 -8.289 1.00 13.41 H new ATOM 0 HE ARG A 13 -13.391 -10.667 -10.378 1.00 45.53 H new ATOM 0 HH11 ARG A 13 -10.816 -10.481 -7.969 1.00 15.02 H new ATOM 0 HH12 ARG A 13 -9.558 -10.979 -9.106 1.00 15.02 H new ATOM 0 HH21 ARG A 13 -11.769 -11.304 -11.833 1.00 31.13 H new ATOM 0 HH22 ARG A 13 -10.095 -11.443 -11.285 1.00 31.13 H new ATOM 257 N ASN A 14 -15.495 -7.439 -4.447 1.00 1.53 N ATOM 258 CA ASN A 14 -16.586 -7.826 -3.560 1.00 54.14 C ATOM 259 C ASN A 14 -17.918 -7.282 -4.068 1.00 13.54 C ATOM 260 O ASN A 14 -18.807 -8.042 -4.451 1.00 31.54 O ATOM 261 CB ASN A 14 -16.323 -7.319 -2.141 1.00 61.20 C ATOM 262 CG ASN A 14 -17.350 -7.825 -1.146 1.00 63.34 C ATOM 263 OD1 ASN A 14 -18.072 -8.784 -1.417 1.00 74.43 O ATOM 264 ND2 ASN A 14 -17.419 -7.181 0.012 1.00 4.54 N ATOM 0 H ASN A 14 -14.736 -6.936 -3.987 1.00 1.53 H new ATOM 0 HA ASN A 14 -16.640 -8.915 -3.545 1.00 54.14 H new ATOM 0 HB2 ASN A 14 -15.329 -7.634 -1.824 1.00 61.20 H new ATOM 0 HB3 ASN A 14 -16.328 -6.229 -2.141 1.00 61.20 H new ATOM 0 HD21 ASN A 14 -18.091 -7.476 0.721 1.00 4.54 H new ATOM 0 HD22 ASN A 14 -16.800 -6.391 0.194 1.00 4.54 H new ATOM 271 N VAL A 15 -18.049 -5.959 -4.068 1.00 12.31 N ATOM 272 CA VAL A 15 -19.271 -5.311 -4.530 1.00 34.45 C ATOM 273 C VAL A 15 -19.673 -5.818 -5.910 1.00 55.53 C ATOM 274 O VAL A 15 -20.799 -6.274 -6.112 1.00 0.21 O ATOM 275 CB VAL A 15 -19.110 -3.781 -4.583 1.00 12.42 C ATOM 276 CG1 VAL A 15 -20.431 -3.117 -4.942 1.00 44.43 C ATOM 277 CG2 VAL A 15 -18.583 -3.254 -3.256 1.00 71.34 C ATOM 0 H VAL A 15 -17.324 -5.315 -3.753 1.00 12.31 H new ATOM 0 HA VAL A 15 -20.053 -5.561 -3.813 1.00 34.45 H new ATOM 0 HB VAL A 15 -18.385 -3.536 -5.359 1.00 12.42 H new ATOM 0 HG11 VAL A 15 -20.298 -2.036 -4.975 1.00 44.43 H new ATOM 0 HG12 VAL A 15 -20.763 -3.471 -5.918 1.00 44.43 H new ATOM 0 HG13 VAL A 15 -21.180 -3.368 -4.191 1.00 44.43 H new ATOM 0 HG21 VAL A 15 -18.475 -2.171 -3.312 1.00 71.34 H new ATOM 0 HG22 VAL A 15 -19.282 -3.509 -2.460 1.00 71.34 H new ATOM 0 HG23 VAL A 15 -17.613 -3.705 -3.045 1.00 71.34 H new ATOM 287 N ARG A 16 -18.746 -5.734 -6.858 1.00 62.03 N ATOM 288 CA ARG A 16 -19.004 -6.183 -8.221 1.00 44.02 C ATOM 289 C ARG A 16 -19.549 -7.608 -8.230 1.00 62.11 C ATOM 290 O ARG A 16 -20.660 -7.856 -8.700 1.00 45.51 O ATOM 291 CB ARG A 16 -17.724 -6.110 -9.056 1.00 25.04 C ATOM 292 CG ARG A 16 -17.857 -5.250 -10.302 1.00 20.03 C ATOM 293 CD ARG A 16 -16.557 -4.530 -10.624 1.00 24.42 C ATOM 294 NE ARG A 16 -16.554 -3.985 -11.978 1.00 50.25 N ATOM 295 CZ ARG A 16 -15.675 -3.086 -12.407 1.00 0.20 C ATOM 296 NH1 ARG A 16 -14.732 -2.634 -11.591 1.00 75.12 N ATOM 297 NH2 ARG A 16 -15.737 -2.637 -13.654 1.00 74.12 N ATOM 0 H ARG A 16 -17.809 -5.359 -6.708 1.00 62.03 H new ATOM 0 HA ARG A 16 -19.753 -5.523 -8.658 1.00 44.02 H new ATOM 0 HB2 ARG A 16 -16.919 -5.715 -8.437 1.00 25.04 H new ATOM 0 HB3 ARG A 16 -17.434 -7.119 -9.350 1.00 25.04 H new ATOM 0 HG2 ARG A 16 -18.147 -5.874 -11.147 1.00 20.03 H new ATOM 0 HG3 ARG A 16 -18.653 -4.519 -10.158 1.00 20.03 H new ATOM 0 HD2 ARG A 16 -16.403 -3.723 -9.908 1.00 24.42 H new ATOM 0 HD3 ARG A 16 -15.722 -5.221 -10.510 1.00 24.42 H new ATOM 0 HE ARG A 16 -17.266 -4.312 -12.631 1.00 50.25 H new ATOM 0 HH11 ARG A 16 -14.681 -2.977 -10.632 1.00 75.12 H new ATOM 0 HH12 ARG A 16 -14.058 -1.944 -11.923 1.00 75.12 H new ATOM 0 HH21 ARG A 16 -16.460 -2.982 -14.285 1.00 74.12 H new ATOM 0 HH22 ARG A 16 -15.061 -1.947 -13.982 1.00 74.12 H new ATOM 311 N ASP A 17 -18.760 -8.541 -7.708 1.00 40.14 N ATOM 312 CA ASP A 17 -19.163 -9.941 -7.656 1.00 34.44 C ATOM 313 C ASP A 17 -20.520 -10.091 -6.974 1.00 52.25 C ATOM 314 O ASP A 17 -21.359 -10.881 -7.406 1.00 10.42 O ATOM 315 CB ASP A 17 -18.113 -10.769 -6.914 1.00 64.31 C ATOM 316 CG ASP A 17 -18.574 -12.189 -6.652 1.00 31.43 C ATOM 317 OD1 ASP A 17 -19.216 -12.420 -5.606 1.00 23.52 O ATOM 318 OD2 ASP A 17 -18.293 -13.070 -7.492 1.00 2.13 O ATOM 0 H ASP A 17 -17.838 -8.353 -7.315 1.00 40.14 H new ATOM 0 HA ASP A 17 -19.247 -10.307 -8.679 1.00 34.44 H new ATOM 0 HB2 ASP A 17 -17.193 -10.791 -7.498 1.00 64.31 H new ATOM 0 HB3 ASP A 17 -17.877 -10.286 -5.966 1.00 64.31 H new ATOM 323 N GLY A 18 -20.728 -9.327 -5.906 1.00 50.44 N ATOM 324 CA GLY A 18 -21.984 -9.390 -5.182 1.00 1.00 C ATOM 325 C GLY A 18 -23.159 -8.918 -6.016 1.00 23.42 C ATOM 326 O GLY A 18 -24.223 -9.537 -6.006 1.00 14.13 O ATOM 0 H GLY A 18 -20.049 -8.666 -5.529 1.00 50.44 H new ATOM 0 HA2 GLY A 18 -22.162 -10.415 -4.857 1.00 1.00 H new ATOM 0 HA3 GLY A 18 -21.912 -8.779 -4.282 1.00 1.00 H new ATOM 330 N ILE A 19 -22.966 -7.820 -6.738 1.00 53.11 N ATOM 331 CA ILE A 19 -24.019 -7.266 -7.580 1.00 71.15 C ATOM 332 C ILE A 19 -24.255 -8.137 -8.810 1.00 22.12 C ATOM 333 O ILE A 19 -25.388 -8.288 -9.268 1.00 21.45 O ATOM 334 CB ILE A 19 -23.680 -5.835 -8.037 1.00 15.42 C ATOM 335 CG1 ILE A 19 -23.482 -4.923 -6.824 1.00 54.11 C ATOM 336 CG2 ILE A 19 -24.778 -5.293 -8.940 1.00 14.11 C ATOM 337 CD1 ILE A 19 -22.696 -3.668 -7.133 1.00 60.35 C ATOM 0 H ILE A 19 -22.091 -7.296 -6.757 1.00 53.11 H new ATOM 0 HA ILE A 19 -24.926 -7.241 -6.975 1.00 71.15 H new ATOM 0 HB ILE A 19 -22.750 -5.861 -8.605 1.00 15.42 H new ATOM 0 HG12 ILE A 19 -24.458 -4.642 -6.428 1.00 54.11 H new ATOM 0 HG13 ILE A 19 -22.968 -5.480 -6.041 1.00 54.11 H new ATOM 0 HG21 ILE A 19 -24.524 -4.281 -9.255 1.00 14.11 H new ATOM 0 HG22 ILE A 19 -24.876 -5.932 -9.818 1.00 14.11 H new ATOM 0 HG23 ILE A 19 -25.722 -5.277 -8.396 1.00 14.11 H new ATOM 0 HD11 ILE A 19 -22.595 -3.070 -6.227 1.00 60.35 H new ATOM 0 HD12 ILE A 19 -21.707 -3.940 -7.501 1.00 60.35 H new ATOM 0 HD13 ILE A 19 -23.220 -3.089 -7.894 1.00 60.35 H new ATOM 349 N ILE A 20 -23.178 -8.709 -9.338 1.00 51.33 N ATOM 350 CA ILE A 20 -23.268 -9.567 -10.513 1.00 33.33 C ATOM 351 C ILE A 20 -23.892 -10.914 -10.163 1.00 12.04 C ATOM 352 O ILE A 20 -24.748 -11.422 -10.887 1.00 52.34 O ATOM 353 CB ILE A 20 -21.884 -9.804 -11.145 1.00 21.35 C ATOM 354 CG1 ILE A 20 -21.254 -8.473 -11.559 1.00 63.11 C ATOM 355 CG2 ILE A 20 -22.000 -10.737 -12.341 1.00 13.21 C ATOM 356 CD1 ILE A 20 -19.745 -8.524 -11.660 1.00 33.11 C ATOM 0 H ILE A 20 -22.233 -8.594 -8.971 1.00 51.33 H new ATOM 0 HA ILE A 20 -23.903 -9.051 -11.233 1.00 33.33 H new ATOM 0 HB ILE A 20 -21.238 -10.275 -10.404 1.00 21.35 H new ATOM 0 HG12 ILE A 20 -21.664 -8.170 -12.522 1.00 63.11 H new ATOM 0 HG13 ILE A 20 -21.536 -7.707 -10.837 1.00 63.11 H new ATOM 0 HG21 ILE A 20 -21.013 -10.895 -12.777 1.00 13.21 H new ATOM 0 HG22 ILE A 20 -22.411 -11.693 -12.018 1.00 13.21 H new ATOM 0 HG23 ILE A 20 -22.659 -10.292 -13.087 1.00 13.21 H new ATOM 0 HD11 ILE A 20 -19.367 -7.546 -11.958 1.00 33.11 H new ATOM 0 HD12 ILE A 20 -19.325 -8.796 -10.692 1.00 33.11 H new ATOM 0 HD13 ILE A 20 -19.455 -9.267 -12.403 1.00 33.11 H new ATOM 368 N LYS A 21 -23.459 -11.488 -9.045 1.00 40.22 N ATOM 369 CA LYS A 21 -23.976 -12.775 -8.595 1.00 52.42 C ATOM 370 C LYS A 21 -25.408 -12.638 -8.087 1.00 1.11 C ATOM 371 O LYS A 21 -26.350 -13.107 -8.724 1.00 52.15 O ATOM 372 CB LYS A 21 -23.085 -13.348 -7.492 1.00 24.15 C ATOM 373 CG LYS A 21 -23.526 -14.717 -7.003 1.00 65.13 C ATOM 374 CD LYS A 21 -22.849 -15.832 -7.783 1.00 41.12 C ATOM 375 CE LYS A 21 -23.681 -17.105 -7.771 1.00 60.12 C ATOM 376 NZ LYS A 21 -22.941 -18.245 -7.163 1.00 72.51 N ATOM 0 H LYS A 21 -22.751 -11.082 -8.434 1.00 40.22 H new ATOM 0 HA LYS A 21 -23.974 -13.457 -9.445 1.00 52.42 H new ATOM 0 HB2 LYS A 21 -22.062 -13.416 -7.862 1.00 24.15 H new ATOM 0 HB3 LYS A 21 -23.074 -12.657 -6.649 1.00 24.15 H new ATOM 0 HG2 LYS A 21 -23.292 -14.819 -5.943 1.00 65.13 H new ATOM 0 HG3 LYS A 21 -24.608 -14.808 -7.101 1.00 65.13 H new ATOM 0 HD2 LYS A 21 -22.687 -15.511 -8.812 1.00 41.12 H new ATOM 0 HD3 LYS A 21 -21.867 -16.034 -7.354 1.00 41.12 H new ATOM 0 HE2 LYS A 21 -24.602 -16.932 -7.214 1.00 60.12 H new ATOM 0 HE3 LYS A 21 -23.968 -17.361 -8.791 1.00 60.12 H new ATOM 0 HZ1 LYS A 21 -23.542 -19.094 -7.173 1.00 72.51 H new ATOM 0 HZ2 LYS A 21 -22.075 -18.427 -7.709 1.00 72.51 H new ATOM 0 HZ3 LYS A 21 -22.689 -18.011 -6.181 1.00 72.51 H new ATOM 390 N ALA A 22 -25.563 -11.991 -6.936 1.00 73.42 N ATOM 391 CA ALA A 22 -26.880 -11.790 -6.345 1.00 33.11 C ATOM 392 C ALA A 22 -27.514 -10.496 -6.844 1.00 74.45 C ATOM 393 O ALA A 22 -28.435 -10.520 -7.661 1.00 3.55 O ATOM 394 CB ALA A 22 -26.781 -11.780 -4.827 1.00 11.44 C ATOM 0 H ALA A 22 -24.793 -11.597 -6.395 1.00 73.42 H new ATOM 0 HA ALA A 22 -27.519 -12.618 -6.651 1.00 33.11 H new ATOM 0 HB1 ALA A 22 -27.772 -11.629 -4.399 1.00 11.44 H new ATOM 0 HB2 ALA A 22 -26.378 -12.732 -4.482 1.00 11.44 H new ATOM 0 HB3 ALA A 22 -26.122 -10.971 -4.511 1.00 11.44 H new ATOM 400 N GLY A 23 -27.016 -9.368 -6.348 1.00 60.01 N ATOM 401 CA GLY A 23 -27.547 -8.080 -6.755 1.00 61.23 C ATOM 402 C GLY A 23 -27.575 -7.079 -5.618 1.00 3.31 C ATOM 403 O GLY A 23 -26.793 -6.128 -5.580 1.00 72.03 O ATOM 0 H GLY A 23 -26.254 -9.323 -5.671 1.00 60.01 H new ATOM 0 HA2 GLY A 23 -26.942 -7.682 -7.570 1.00 61.23 H new ATOM 0 HA3 GLY A 23 -28.557 -8.213 -7.143 1.00 61.23 H new ATOM 407 N PRO A 24 -28.494 -7.286 -4.664 1.00 31.33 N ATOM 408 CA PRO A 24 -28.644 -6.404 -3.503 1.00 4.41 C ATOM 409 C PRO A 24 -27.471 -6.516 -2.535 1.00 0.24 C ATOM 410 O PRO A 24 -27.359 -7.490 -1.791 1.00 11.33 O ATOM 411 CB PRO A 24 -29.932 -6.901 -2.843 1.00 22.15 C ATOM 412 CG PRO A 24 -30.047 -8.326 -3.262 1.00 50.25 C ATOM 413 CD PRO A 24 -29.458 -8.399 -4.644 1.00 73.12 C ATOM 0 HA PRO A 24 -28.675 -5.353 -3.791 1.00 4.41 H new ATOM 0 HB2 PRO A 24 -29.881 -6.810 -1.758 1.00 22.15 H new ATOM 0 HB3 PRO A 24 -30.794 -6.321 -3.171 1.00 22.15 H new ATOM 0 HG2 PRO A 24 -29.511 -8.980 -2.574 1.00 50.25 H new ATOM 0 HG3 PRO A 24 -31.088 -8.650 -3.264 1.00 50.25 H new ATOM 0 HD2 PRO A 24 -28.969 -9.357 -4.822 1.00 73.12 H new ATOM 0 HD3 PRO A 24 -30.222 -8.283 -5.413 1.00 73.12 H new ATOM 421 N ALA A 25 -26.599 -5.513 -2.549 1.00 54.42 N ATOM 422 CA ALA A 25 -25.437 -5.498 -1.670 1.00 44.04 C ATOM 423 C ALA A 25 -25.700 -4.657 -0.426 1.00 22.44 C ATOM 424 O ALA A 25 -25.090 -4.873 0.622 1.00 41.12 O ATOM 425 CB ALA A 25 -24.218 -4.974 -2.416 1.00 13.42 C ATOM 0 H ALA A 25 -26.676 -4.700 -3.160 1.00 54.42 H new ATOM 0 HA ALA A 25 -25.242 -6.521 -1.350 1.00 44.04 H new ATOM 0 HB1 ALA A 25 -23.357 -4.968 -1.748 1.00 13.42 H new ATOM 0 HB2 ALA A 25 -24.010 -5.618 -3.270 1.00 13.42 H new ATOM 0 HB3 ALA A 25 -24.413 -3.960 -2.765 1.00 13.42 H new ATOM 431 N VAL A 26 -26.612 -3.698 -0.547 1.00 44.31 N ATOM 432 CA VAL A 26 -26.956 -2.825 0.569 1.00 42.53 C ATOM 433 C VAL A 26 -27.303 -3.634 1.813 1.00 1.11 C ATOM 434 O VAL A 26 -26.672 -3.485 2.859 1.00 1.30 O ATOM 435 CB VAL A 26 -28.143 -1.908 0.218 1.00 2.44 C ATOM 436 CG1 VAL A 26 -28.500 -1.021 1.401 1.00 2.44 C ATOM 437 CG2 VAL A 26 -27.823 -1.069 -1.010 1.00 73.10 C ATOM 0 H VAL A 26 -27.126 -3.506 -1.407 1.00 44.31 H new ATOM 0 HA VAL A 26 -26.079 -2.210 0.773 1.00 42.53 H new ATOM 0 HB VAL A 26 -29.007 -2.532 -0.012 1.00 2.44 H new ATOM 0 HG11 VAL A 26 -29.340 -0.380 1.135 1.00 2.44 H new ATOM 0 HG12 VAL A 26 -28.774 -1.643 2.253 1.00 2.44 H new ATOM 0 HG13 VAL A 26 -27.642 -0.403 1.664 1.00 2.44 H new ATOM 0 HG21 VAL A 26 -28.672 -0.427 -1.244 1.00 73.10 H new ATOM 0 HG22 VAL A 26 -26.946 -0.453 -0.811 1.00 73.10 H new ATOM 0 HG23 VAL A 26 -27.621 -1.725 -1.856 1.00 73.10 H new ATOM 447 N ALA A 27 -28.311 -4.492 1.692 1.00 4.11 N ATOM 448 CA ALA A 27 -28.740 -5.327 2.807 1.00 74.45 C ATOM 449 C ALA A 27 -27.578 -6.143 3.362 1.00 5.40 C ATOM 450 O ALA A 27 -27.346 -6.169 4.571 1.00 75.31 O ATOM 451 CB ALA A 27 -29.872 -6.247 2.371 1.00 64.00 C ATOM 0 H ALA A 27 -28.845 -4.627 0.834 1.00 4.11 H new ATOM 0 HA ALA A 27 -29.101 -4.673 3.600 1.00 74.45 H new ATOM 0 HB1 ALA A 27 -30.183 -6.865 3.213 1.00 64.00 H new ATOM 0 HB2 ALA A 27 -30.716 -5.648 2.029 1.00 64.00 H new ATOM 0 HB3 ALA A 27 -29.528 -6.887 1.558 1.00 64.00 H new ATOM 457 N VAL A 28 -26.848 -6.807 2.471 1.00 31.35 N ATOM 458 CA VAL A 28 -25.708 -7.623 2.873 1.00 75.40 C ATOM 459 C VAL A 28 -24.691 -6.800 3.654 1.00 1.22 C ATOM 460 O VAL A 28 -24.450 -7.048 4.836 1.00 74.43 O ATOM 461 CB VAL A 28 -25.013 -8.255 1.653 1.00 61.24 C ATOM 462 CG1 VAL A 28 -23.848 -9.127 2.094 1.00 24.42 C ATOM 463 CG2 VAL A 28 -26.008 -9.058 0.829 1.00 34.20 C ATOM 0 H VAL A 28 -27.026 -6.796 1.467 1.00 31.35 H new ATOM 0 HA VAL A 28 -26.096 -8.416 3.512 1.00 75.40 H new ATOM 0 HB VAL A 28 -24.620 -7.454 1.027 1.00 61.24 H new ATOM 0 HG11 VAL A 28 -23.369 -9.565 1.218 1.00 24.42 H new ATOM 0 HG12 VAL A 28 -23.124 -8.520 2.637 1.00 24.42 H new ATOM 0 HG13 VAL A 28 -24.214 -9.922 2.743 1.00 24.42 H new ATOM 0 HG21 VAL A 28 -25.499 -9.497 -0.029 1.00 34.20 H new ATOM 0 HG22 VAL A 28 -26.433 -9.851 1.444 1.00 34.20 H new ATOM 0 HG23 VAL A 28 -26.806 -8.402 0.481 1.00 34.20 H new ATOM 473 N VAL A 29 -24.095 -5.817 2.986 1.00 13.34 N ATOM 474 CA VAL A 29 -23.104 -4.954 3.618 1.00 30.22 C ATOM 475 C VAL A 29 -23.637 -4.367 4.920 1.00 24.25 C ATOM 476 O VAL A 29 -22.981 -4.438 5.959 1.00 14.03 O ATOM 477 CB VAL A 29 -22.683 -3.804 2.684 1.00 74.43 C ATOM 478 CG1 VAL A 29 -21.662 -2.907 3.367 1.00 75.22 C ATOM 479 CG2 VAL A 29 -22.132 -4.355 1.377 1.00 0.22 C ATOM 0 H VAL A 29 -24.281 -5.599 2.007 1.00 13.34 H new ATOM 0 HA VAL A 29 -22.234 -5.575 3.832 1.00 30.22 H new ATOM 0 HB VAL A 29 -23.563 -3.203 2.456 1.00 74.43 H new ATOM 0 HG11 VAL A 29 -21.377 -2.100 2.692 1.00 75.22 H new ATOM 0 HG12 VAL A 29 -22.097 -2.485 4.273 1.00 75.22 H new ATOM 0 HG13 VAL A 29 -20.780 -3.492 3.627 1.00 75.22 H new ATOM 0 HG21 VAL A 29 -21.839 -3.529 0.729 1.00 0.22 H new ATOM 0 HG22 VAL A 29 -21.263 -4.980 1.583 1.00 0.22 H new ATOM 0 HG23 VAL A 29 -22.898 -4.951 0.882 1.00 0.22 H new ATOM 489 N GLY A 30 -24.831 -3.787 4.857 1.00 34.10 N ATOM 490 CA GLY A 30 -25.433 -3.196 6.038 1.00 23.12 C ATOM 491 C GLY A 30 -25.574 -4.189 7.175 1.00 11.41 C ATOM 492 O GLY A 30 -25.005 -3.996 8.249 1.00 11.11 O ATOM 0 H GLY A 30 -25.393 -3.716 4.009 1.00 34.10 H new ATOM 0 HA2 GLY A 30 -24.826 -2.353 6.369 1.00 23.12 H new ATOM 0 HA3 GLY A 30 -26.416 -2.800 5.782 1.00 23.12 H new ATOM 496 N GLN A 31 -26.336 -5.252 6.939 1.00 1.11 N ATOM 497 CA GLN A 31 -26.552 -6.277 7.954 1.00 41.44 C ATOM 498 C GLN A 31 -25.224 -6.781 8.509 1.00 71.32 C ATOM 499 O GLN A 31 -24.988 -6.736 9.716 1.00 64.34 O ATOM 500 CB GLN A 31 -27.350 -7.443 7.369 1.00 71.13 C ATOM 501 CG GLN A 31 -27.609 -8.562 8.364 1.00 74.50 C ATOM 502 CD GLN A 31 -28.959 -9.222 8.162 1.00 15.20 C ATOM 503 OE1 GLN A 31 -29.959 -8.550 7.903 1.00 64.41 O ATOM 504 NE2 GLN A 31 -28.996 -10.544 8.280 1.00 74.04 N ATOM 0 H GLN A 31 -26.814 -5.426 6.055 1.00 1.11 H new ATOM 0 HA GLN A 31 -27.120 -5.831 8.770 1.00 41.44 H new ATOM 0 HB2 GLN A 31 -28.305 -7.069 6.998 1.00 71.13 H new ATOM 0 HB3 GLN A 31 -26.811 -7.847 6.512 1.00 71.13 H new ATOM 0 HG2 GLN A 31 -26.824 -9.313 8.273 1.00 74.50 H new ATOM 0 HG3 GLN A 31 -27.552 -8.163 9.377 1.00 74.50 H new ATOM 0 HE21 GLN A 31 -28.143 -11.061 8.495 1.00 74.04 H new ATOM 0 HE22 GLN A 31 -29.877 -11.043 8.155 1.00 74.04 H new ATOM 513 N ALA A 32 -24.361 -7.262 7.620 1.00 71.12 N ATOM 514 CA ALA A 32 -23.057 -7.774 8.021 1.00 44.20 C ATOM 515 C ALA A 32 -22.298 -6.748 8.857 1.00 61.53 C ATOM 516 O ALA A 32 -21.878 -7.035 9.977 1.00 33.44 O ATOM 517 CB ALA A 32 -22.243 -8.165 6.796 1.00 54.43 C ATOM 0 H ALA A 32 -24.542 -7.308 6.617 1.00 71.12 H new ATOM 0 HA ALA A 32 -23.216 -8.660 8.636 1.00 44.20 H new ATOM 0 HB1 ALA A 32 -21.271 -8.546 7.111 1.00 54.43 H new ATOM 0 HB2 ALA A 32 -22.772 -8.938 6.239 1.00 54.43 H new ATOM 0 HB3 ALA A 32 -22.101 -7.292 6.159 1.00 54.43 H new ATOM 523 N ALA A 33 -22.125 -5.552 8.304 1.00 70.55 N ATOM 524 CA ALA A 33 -21.418 -4.484 8.999 1.00 61.31 C ATOM 525 C ALA A 33 -22.033 -4.220 10.369 1.00 21.01 C ATOM 526 O ALA A 33 -21.320 -4.036 11.357 1.00 53.25 O ATOM 527 CB ALA A 33 -21.425 -3.214 8.161 1.00 20.12 C ATOM 0 H ALA A 33 -22.465 -5.299 7.376 1.00 70.55 H new ATOM 0 HA ALA A 33 -20.386 -4.802 9.148 1.00 61.31 H new ATOM 0 HB1 ALA A 33 -20.893 -2.425 8.692 1.00 20.12 H new ATOM 0 HB2 ALA A 33 -20.933 -3.405 7.207 1.00 20.12 H new ATOM 0 HB3 ALA A 33 -22.454 -2.902 7.982 1.00 20.12 H new ATOM 533 N THR A 34 -23.361 -4.202 10.423 1.00 11.21 N ATOM 534 CA THR A 34 -24.072 -3.958 11.672 1.00 71.13 C ATOM 535 C THR A 34 -23.837 -5.088 12.668 1.00 44.40 C ATOM 536 O THR A 34 -23.629 -4.847 13.857 1.00 10.33 O ATOM 537 CB THR A 34 -25.586 -3.805 11.435 1.00 14.23 C ATOM 538 OG1 THR A 34 -25.836 -2.705 10.553 1.00 3.21 O ATOM 539 CG2 THR A 34 -26.320 -3.584 12.750 1.00 44.53 C ATOM 0 H THR A 34 -23.966 -4.354 9.616 1.00 11.21 H new ATOM 0 HA THR A 34 -23.680 -3.028 12.083 1.00 71.13 H new ATOM 0 HB THR A 34 -25.955 -4.725 10.981 1.00 14.23 H new ATOM 0 HG1 THR A 34 -25.581 -2.953 9.640 1.00 3.21 H new ATOM 0 HG21 THR A 34 -27.388 -3.479 12.557 1.00 44.53 H new ATOM 0 HG22 THR A 34 -26.152 -4.437 13.408 1.00 44.53 H new ATOM 0 HG23 THR A 34 -25.946 -2.678 13.227 1.00 44.53 H new ATOM 547 N VAL A 35 -23.869 -6.322 12.175 1.00 13.31 N ATOM 548 CA VAL A 35 -23.657 -7.489 13.022 1.00 35.24 C ATOM 549 C VAL A 35 -22.216 -7.558 13.513 1.00 2.43 C ATOM 550 O VAL A 35 -21.955 -7.929 14.658 1.00 71.23 O ATOM 551 CB VAL A 35 -23.996 -8.793 12.276 1.00 35.21 C ATOM 552 CG1 VAL A 35 -23.763 -9.999 13.174 1.00 40.40 C ATOM 553 CG2 VAL A 35 -25.432 -8.762 11.775 1.00 53.34 C ATOM 0 H VAL A 35 -24.040 -6.539 11.193 1.00 13.31 H new ATOM 0 HA VAL A 35 -24.324 -7.384 13.877 1.00 35.24 H new ATOM 0 HB VAL A 35 -23.335 -8.879 11.413 1.00 35.21 H new ATOM 0 HG11 VAL A 35 -24.008 -10.911 12.629 1.00 40.40 H new ATOM 0 HG12 VAL A 35 -22.717 -10.029 13.479 1.00 40.40 H new ATOM 0 HG13 VAL A 35 -24.397 -9.923 14.057 1.00 40.40 H new ATOM 0 HG21 VAL A 35 -25.654 -9.691 11.250 1.00 53.34 H new ATOM 0 HG22 VAL A 35 -26.110 -8.652 12.621 1.00 53.34 H new ATOM 0 HG23 VAL A 35 -25.562 -7.921 11.094 1.00 53.34 H new ATOM 563 N VAL A 36 -21.281 -7.196 12.640 1.00 52.20 N ATOM 564 CA VAL A 36 -19.865 -7.214 12.985 1.00 64.34 C ATOM 565 C VAL A 36 -19.512 -6.063 13.920 1.00 24.41 C ATOM 566 O VAL A 36 -18.786 -6.244 14.898 1.00 12.44 O ATOM 567 CB VAL A 36 -18.980 -7.129 11.727 1.00 42.12 C ATOM 568 CG1 VAL A 36 -17.507 -7.173 12.106 1.00 53.44 C ATOM 569 CG2 VAL A 36 -19.323 -8.250 10.757 1.00 1.05 C ATOM 0 H VAL A 36 -21.479 -6.887 11.688 1.00 52.20 H new ATOM 0 HA VAL A 36 -19.675 -8.160 13.491 1.00 64.34 H new ATOM 0 HB VAL A 36 -19.175 -6.178 11.231 1.00 42.12 H new ATOM 0 HG11 VAL A 36 -16.897 -7.112 11.204 1.00 53.44 H new ATOM 0 HG12 VAL A 36 -17.274 -6.332 12.759 1.00 53.44 H new ATOM 0 HG13 VAL A 36 -17.293 -8.107 12.626 1.00 53.44 H new ATOM 0 HG21 VAL A 36 -18.688 -8.174 9.874 1.00 1.05 H new ATOM 0 HG22 VAL A 36 -19.158 -9.213 11.241 1.00 1.05 H new ATOM 0 HG23 VAL A 36 -20.369 -8.167 10.460 1.00 1.05 H new ATOM 579 N LYS A 37 -20.030 -4.879 13.613 1.00 3.15 N ATOM 580 CA LYS A 37 -19.772 -3.697 14.427 1.00 42.30 C ATOM 581 C LYS A 37 -20.467 -3.805 15.780 1.00 22.35 C ATOM 582 O LYS A 37 -19.814 -3.946 16.815 1.00 61.11 O ATOM 583 CB LYS A 37 -20.246 -2.437 13.698 1.00 22.40 C ATOM 584 CG LYS A 37 -19.974 -1.153 14.463 1.00 61.45 C ATOM 585 CD LYS A 37 -21.237 -0.325 14.627 1.00 2.45 C ATOM 586 CE LYS A 37 -21.045 0.787 15.648 1.00 23.31 C ATOM 587 NZ LYS A 37 -22.196 1.732 15.662 1.00 25.32 N ATOM 0 H LYS A 37 -20.631 -4.712 12.806 1.00 3.15 H new ATOM 0 HA LYS A 37 -18.697 -3.630 14.595 1.00 42.30 H new ATOM 0 HB2 LYS A 37 -19.754 -2.383 12.727 1.00 22.40 H new ATOM 0 HB3 LYS A 37 -21.316 -2.518 13.509 1.00 22.40 H new ATOM 0 HG2 LYS A 37 -19.565 -1.393 15.444 1.00 61.45 H new ATOM 0 HG3 LYS A 37 -19.220 -0.568 13.937 1.00 61.45 H new ATOM 0 HD2 LYS A 37 -21.518 0.106 13.666 1.00 2.45 H new ATOM 0 HD3 LYS A 37 -22.058 -0.970 14.940 1.00 2.45 H new ATOM 0 HE2 LYS A 37 -20.920 0.352 16.640 1.00 23.31 H new ATOM 0 HE3 LYS A 37 -20.129 1.333 15.422 1.00 23.31 H new ATOM 0 HZ1 LYS A 37 -22.027 2.475 16.370 1.00 25.32 H new ATOM 0 HZ2 LYS A 37 -22.300 2.167 14.723 1.00 25.32 H new ATOM 0 HZ3 LYS A 37 -23.066 1.216 15.903 1.00 25.32 H new HETATM 601 N NH2 A 38 -21.794 -3.741 15.766 1.00 53.51 N TER 603 NH2 A 38