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 K(o=0,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0128 K(o=-0.013,f=-0.97) USER MOD Single : A 34 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.026 -1.719 0.368 1.00 42.41 N ATOM 2 CA ARG A 1 2.668 -1.337 -0.993 1.00 23.40 C ATOM 3 C ARG A 1 1.665 -2.322 -1.587 1.00 50.42 C ATOM 4 O ARG A 1 0.516 -1.968 -1.851 1.00 34.23 O ATOM 5 CB ARG A 1 3.918 -1.273 -1.873 1.00 21.02 C ATOM 6 CG ARG A 1 4.282 0.136 -2.311 1.00 63.03 C ATOM 7 CD ARG A 1 5.312 0.760 -1.382 1.00 70.13 C ATOM 8 NE ARG A 1 6.283 1.574 -2.109 1.00 32.31 N ATOM 9 CZ ARG A 1 7.281 1.065 -2.822 1.00 24.32 C ATOM 10 NH1 ARG A 1 7.440 -0.249 -2.904 1.00 34.13 N ATOM 11 NH2 ARG A 1 8.124 1.871 -3.455 1.00 61.52 N ATOM 0 H1 ARG A 1 3.709 -1.035 0.752 1.00 42.41 H new ATOM 0 H2 ARG A 1 2.173 -1.727 0.962 1.00 42.41 H new ATOM 0 H3 ARG A 1 3.452 -2.668 0.362 1.00 42.41 H new ATOM 0 HA ARG A 1 2.206 -0.350 -0.958 1.00 23.40 H new ATOM 0 HB2 ARG A 1 4.758 -1.704 -1.328 1.00 21.02 H new ATOM 0 HB3 ARG A 1 3.762 -1.890 -2.757 1.00 21.02 H new ATOM 0 HG2 ARG A 1 4.675 0.112 -3.328 1.00 63.03 H new ATOM 0 HG3 ARG A 1 3.385 0.755 -2.330 1.00 63.03 H new ATOM 0 HD2 ARG A 1 4.805 1.377 -0.640 1.00 70.13 H new ATOM 0 HD3 ARG A 1 5.834 -0.027 -0.838 1.00 70.13 H new ATOM 0 HE ARG A 1 6.189 2.589 -2.067 1.00 32.31 H new ATOM 0 HH11 ARG A 1 6.795 -0.872 -2.419 1.00 34.13 H new ATOM 0 HH12 ARG A 1 8.208 -0.637 -3.453 1.00 34.13 H new ATOM 0 HH21 ARG A 1 8.006 2.882 -3.394 1.00 61.52 H new ATOM 0 HH22 ARG A 1 8.890 1.479 -4.002 1.00 61.52 H new ATOM 25 N TRP A 2 2.108 -3.556 -1.796 1.00 21.03 N ATOM 26 CA TRP A 2 1.249 -4.591 -2.360 1.00 30.25 C ATOM 27 C TRP A 2 -0.005 -4.779 -1.512 1.00 63.14 C ATOM 28 O TRP A 2 -1.047 -5.202 -2.013 1.00 51.31 O ATOM 29 CB TRP A 2 2.011 -5.913 -2.465 1.00 72.34 C ATOM 30 CG TRP A 2 2.379 -6.495 -1.134 1.00 42.20 C ATOM 31 CD1 TRP A 2 1.580 -7.242 -0.317 1.00 22.51 C ATOM 32 CD2 TRP A 2 3.639 -6.374 -0.465 1.00 65.45 C ATOM 33 NE1 TRP A 2 2.268 -7.594 0.819 1.00 30.25 N ATOM 34 CE2 TRP A 2 3.534 -7.075 0.752 1.00 13.22 C ATOM 35 CE3 TRP A 2 4.848 -5.745 -0.778 1.00 34.34 C ATOM 36 CZ2 TRP A 2 4.590 -7.161 1.655 1.00 12.44 C ATOM 37 CZ3 TRP A 2 5.895 -5.831 0.120 1.00 73.10 C ATOM 38 CH2 TRP A 2 5.761 -6.535 1.324 1.00 31.02 C ATOM 0 H TRP A 2 3.057 -3.865 -1.584 1.00 21.03 H new ATOM 0 HA TRP A 2 0.946 -4.274 -3.358 1.00 30.25 H new ATOM 0 HB2 TRP A 2 1.402 -6.633 -3.012 1.00 72.34 H new ATOM 0 HB3 TRP A 2 2.919 -5.755 -3.048 1.00 72.34 H new ATOM 0 HD1 TRP A 2 0.558 -7.516 -0.532 1.00 22.51 H new ATOM 0 HE1 TRP A 2 1.896 -8.152 1.588 1.00 30.25 H new ATOM 0 HE3 TRP A 2 4.962 -5.202 -1.705 1.00 34.34 H new ATOM 0 HZ2 TRP A 2 4.489 -7.703 2.584 1.00 12.44 H new ATOM 0 HZ3 TRP A 2 6.833 -5.347 -0.110 1.00 73.10 H new ATOM 0 HH2 TRP A 2 6.598 -6.585 2.004 1.00 31.02 H new ATOM 49 N LYS A 3 0.102 -4.462 -0.226 1.00 64.45 N ATOM 50 CA LYS A 3 -1.023 -4.595 0.691 1.00 52.31 C ATOM 51 C LYS A 3 -2.228 -3.805 0.191 1.00 55.22 C ATOM 52 O LYS A 3 -3.262 -4.381 -0.149 1.00 32.10 O ATOM 53 CB LYS A 3 -0.628 -4.112 2.088 1.00 31.25 C ATOM 54 CG LYS A 3 0.206 -5.116 2.865 1.00 33.34 C ATOM 55 CD LYS A 3 -0.383 -5.386 4.240 1.00 55.32 C ATOM 56 CE LYS A 3 0.685 -5.829 5.227 1.00 2.43 C ATOM 57 NZ LYS A 3 0.286 -5.555 6.636 1.00 63.42 N ATOM 0 H LYS A 3 0.957 -4.111 0.205 1.00 64.45 H new ATOM 0 HA LYS A 3 -1.296 -5.649 0.741 1.00 52.31 H new ATOM 0 HB2 LYS A 3 -0.069 -3.181 1.997 1.00 31.25 H new ATOM 0 HB3 LYS A 3 -1.532 -3.887 2.655 1.00 31.25 H new ATOM 0 HG2 LYS A 3 0.268 -6.049 2.305 1.00 33.34 H new ATOM 0 HG3 LYS A 3 1.224 -4.740 2.972 1.00 33.34 H new ATOM 0 HD2 LYS A 3 -0.871 -4.485 4.611 1.00 55.32 H new ATOM 0 HD3 LYS A 3 -1.151 -6.156 4.163 1.00 55.32 H new ATOM 0 HE2 LYS A 3 0.874 -6.895 5.104 1.00 2.43 H new ATOM 0 HE3 LYS A 3 1.619 -5.313 5.007 1.00 2.43 H new ATOM 0 HZ1 LYS A 3 1.040 -5.871 7.278 1.00 63.42 H new ATOM 0 HZ2 LYS A 3 0.131 -4.534 6.761 1.00 63.42 H new ATOM 0 HZ3 LYS A 3 -0.592 -6.068 6.854 1.00 63.42 H new ATOM 71 N ILE A 4 -2.088 -2.484 0.147 1.00 21.31 N ATOM 72 CA ILE A 4 -3.165 -1.617 -0.314 1.00 44.22 C ATOM 73 C ILE A 4 -3.691 -2.069 -1.672 1.00 13.10 C ATOM 74 O ILE A 4 -4.891 -2.286 -1.844 1.00 10.24 O ATOM 75 CB ILE A 4 -2.702 -0.151 -0.418 1.00 22.53 C ATOM 76 CG1 ILE A 4 -2.052 0.295 0.894 1.00 63.34 C ATOM 77 CG2 ILE A 4 -3.875 0.751 -0.767 1.00 55.23 C ATOM 78 CD1 ILE A 4 -0.542 0.363 0.827 1.00 51.10 C ATOM 0 H ILE A 4 -1.239 -1.991 0.425 1.00 21.31 H new ATOM 0 HA ILE A 4 -3.964 -1.686 0.424 1.00 44.22 H new ATOM 0 HB ILE A 4 -1.961 -0.075 -1.214 1.00 22.53 H new ATOM 0 HG12 ILE A 4 -2.440 1.276 1.167 1.00 63.34 H new ATOM 0 HG13 ILE A 4 -2.342 -0.395 1.687 1.00 63.34 H new ATOM 0 HG21 ILE A 4 -3.532 1.783 -0.837 1.00 55.23 H new ATOM 0 HG22 ILE A 4 -4.298 0.444 -1.723 1.00 55.23 H new ATOM 0 HG23 ILE A 4 -4.637 0.674 0.009 1.00 55.23 H new ATOM 0 HD11 ILE A 4 -0.149 0.686 1.791 1.00 51.10 H new ATOM 0 HD12 ILE A 4 -0.144 -0.622 0.584 1.00 51.10 H new ATOM 0 HD13 ILE A 4 -0.244 1.075 0.057 1.00 51.10 H new ATOM 90 N PHE A 5 -2.786 -2.211 -2.634 1.00 41.13 N ATOM 91 CA PHE A 5 -3.159 -2.638 -3.978 1.00 23.43 C ATOM 92 C PHE A 5 -3.987 -3.919 -3.931 1.00 31.14 C ATOM 93 O PHE A 5 -5.139 -3.944 -4.365 1.00 43.12 O ATOM 94 CB PHE A 5 -1.908 -2.858 -4.831 1.00 51.35 C ATOM 95 CG PHE A 5 -1.572 -1.689 -5.713 1.00 63.21 C ATOM 96 CD1 PHE A 5 -2.165 -1.550 -6.957 1.00 41.44 C ATOM 97 CD2 PHE A 5 -0.662 -0.730 -5.298 1.00 24.43 C ATOM 98 CE1 PHE A 5 -1.858 -0.475 -7.771 1.00 61.30 C ATOM 99 CE2 PHE A 5 -0.351 0.346 -6.107 1.00 0.23 C ATOM 100 CZ PHE A 5 -0.949 0.473 -7.345 1.00 41.33 C ATOM 0 H PHE A 5 -1.789 -2.037 -2.508 1.00 41.13 H new ATOM 0 HA PHE A 5 -3.764 -1.851 -4.428 1.00 23.43 H new ATOM 0 HB2 PHE A 5 -1.062 -3.063 -4.175 1.00 51.35 H new ATOM 0 HB3 PHE A 5 -2.052 -3.742 -5.452 1.00 51.35 H new ATOM 0 HD1 PHE A 5 -2.875 -2.290 -7.295 1.00 41.44 H new ATOM 0 HD2 PHE A 5 -0.190 -0.825 -4.331 1.00 24.43 H new ATOM 0 HE1 PHE A 5 -2.328 -0.377 -8.738 1.00 61.30 H new ATOM 0 HE2 PHE A 5 0.359 1.087 -5.771 1.00 0.23 H new ATOM 0 HZ PHE A 5 -0.706 1.313 -7.979 1.00 41.33 H new ATOM 110 N LYS A 6 -3.392 -4.982 -3.400 1.00 71.12 N ATOM 111 CA LYS A 6 -4.073 -6.267 -3.295 1.00 22.35 C ATOM 112 C LYS A 6 -5.415 -6.115 -2.586 1.00 70.40 C ATOM 113 O LYS A 6 -6.415 -6.707 -2.994 1.00 23.22 O ATOM 114 CB LYS A 6 -3.197 -7.271 -2.541 1.00 71.01 C ATOM 115 CG LYS A 6 -3.789 -8.668 -2.480 1.00 21.54 C ATOM 116 CD LYS A 6 -4.499 -8.916 -1.159 1.00 51.32 C ATOM 117 CE LYS A 6 -3.773 -9.957 -0.322 1.00 64.31 C ATOM 118 NZ LYS A 6 -4.235 -11.339 -0.632 1.00 44.42 N ATOM 0 H LYS A 6 -2.439 -4.979 -3.036 1.00 71.12 H new ATOM 0 HA LYS A 6 -4.255 -6.638 -4.304 1.00 22.35 H new ATOM 0 HB2 LYS A 6 -2.220 -7.320 -3.021 1.00 71.01 H new ATOM 0 HB3 LYS A 6 -3.036 -6.909 -1.526 1.00 71.01 H new ATOM 0 HG2 LYS A 6 -4.491 -8.803 -3.302 1.00 21.54 H new ATOM 0 HG3 LYS A 6 -2.998 -9.406 -2.613 1.00 21.54 H new ATOM 0 HD2 LYS A 6 -4.567 -7.982 -0.601 1.00 51.32 H new ATOM 0 HD3 LYS A 6 -5.519 -9.249 -1.350 1.00 51.32 H new ATOM 0 HE2 LYS A 6 -2.700 -9.884 -0.502 1.00 64.31 H new ATOM 0 HE3 LYS A 6 -3.934 -9.749 0.736 1.00 64.31 H new ATOM 0 HZ1 LYS A 6 -3.716 -12.019 -0.041 1.00 44.42 H new ATOM 0 HZ2 LYS A 6 -5.254 -11.417 -0.437 1.00 44.42 H new ATOM 0 HZ3 LYS A 6 -4.058 -11.547 -1.636 1.00 44.42 H new ATOM 132 N LYS A 7 -5.431 -5.318 -1.524 1.00 11.53 N ATOM 133 CA LYS A 7 -6.651 -5.085 -0.759 1.00 42.24 C ATOM 134 C LYS A 7 -7.720 -4.429 -1.628 1.00 32.45 C ATOM 135 O LYS A 7 -8.755 -5.032 -1.915 1.00 65.42 O ATOM 136 CB LYS A 7 -6.355 -4.204 0.456 1.00 11.43 C ATOM 137 CG LYS A 7 -7.501 -4.135 1.451 1.00 50.11 C ATOM 138 CD LYS A 7 -7.066 -3.499 2.760 1.00 5.14 C ATOM 139 CE LYS A 7 -6.680 -4.550 3.789 1.00 24.34 C ATOM 140 NZ LYS A 7 -7.371 -4.333 5.090 1.00 21.24 N ATOM 0 H LYS A 7 -4.612 -4.822 -1.172 1.00 11.53 H new ATOM 0 HA LYS A 7 -7.026 -6.050 -0.417 1.00 42.24 H new ATOM 0 HB2 LYS A 7 -5.468 -4.584 0.962 1.00 11.43 H new ATOM 0 HB3 LYS A 7 -6.120 -3.196 0.115 1.00 11.43 H new ATOM 0 HG2 LYS A 7 -8.322 -3.561 1.022 1.00 50.11 H new ATOM 0 HG3 LYS A 7 -7.879 -5.139 1.642 1.00 50.11 H new ATOM 0 HD2 LYS A 7 -6.220 -2.836 2.580 1.00 5.14 H new ATOM 0 HD3 LYS A 7 -7.875 -2.883 3.153 1.00 5.14 H new ATOM 0 HE2 LYS A 7 -6.928 -5.540 3.407 1.00 24.34 H new ATOM 0 HE3 LYS A 7 -5.601 -4.528 3.943 1.00 24.34 H new ATOM 0 HZ1 LYS A 7 -7.081 -5.070 5.764 1.00 21.24 H new ATOM 0 HZ2 LYS A 7 -7.115 -3.398 5.467 1.00 21.24 H new ATOM 0 HZ3 LYS A 7 -8.400 -4.379 4.948 1.00 21.24 H new ATOM 154 N ILE A 8 -7.463 -3.194 -2.042 1.00 53.45 N ATOM 155 CA ILE A 8 -8.403 -2.459 -2.880 1.00 11.42 C ATOM 156 C ILE A 8 -8.816 -3.281 -4.096 1.00 21.44 C ATOM 157 O ILE A 8 -9.981 -3.282 -4.490 1.00 15.51 O ATOM 158 CB ILE A 8 -7.805 -1.122 -3.357 1.00 74.05 C ATOM 159 CG1 ILE A 8 -7.404 -0.261 -2.158 1.00 44.45 C ATOM 160 CG2 ILE A 8 -8.800 -0.382 -4.239 1.00 13.22 C ATOM 161 CD1 ILE A 8 -6.659 0.999 -2.542 1.00 24.21 C ATOM 0 H ILE A 8 -6.612 -2.681 -1.811 1.00 53.45 H new ATOM 0 HA ILE A 8 -9.281 -2.257 -2.266 1.00 11.42 H new ATOM 0 HB ILE A 8 -6.911 -1.330 -3.946 1.00 74.05 H new ATOM 0 HG12 ILE A 8 -8.300 0.012 -1.601 1.00 44.45 H new ATOM 0 HG13 ILE A 8 -6.780 -0.853 -1.488 1.00 44.45 H new ATOM 0 HG21 ILE A 8 -8.363 0.561 -4.568 1.00 13.22 H new ATOM 0 HG22 ILE A 8 -9.041 -0.994 -5.108 1.00 13.22 H new ATOM 0 HG23 ILE A 8 -9.710 -0.182 -3.673 1.00 13.22 H new ATOM 0 HD11 ILE A 8 -6.406 1.561 -1.643 1.00 24.21 H new ATOM 0 HD12 ILE A 8 -5.745 0.734 -3.073 1.00 24.21 H new ATOM 0 HD13 ILE A 8 -7.289 1.612 -3.187 1.00 24.21 H new ATOM 173 N GLU A 9 -7.852 -3.983 -4.684 1.00 2.41 N ATOM 174 CA GLU A 9 -8.116 -4.811 -5.855 1.00 12.15 C ATOM 175 C GLU A 9 -9.056 -5.961 -5.506 1.00 33.30 C ATOM 176 O GLU A 9 -10.045 -6.202 -6.199 1.00 33.14 O ATOM 177 CB GLU A 9 -6.807 -5.362 -6.423 1.00 40.02 C ATOM 178 CG GLU A 9 -7.006 -6.373 -7.540 1.00 52.31 C ATOM 179 CD GLU A 9 -5.699 -6.808 -8.173 1.00 42.11 C ATOM 180 OE1 GLU A 9 -4.654 -6.203 -7.854 1.00 52.44 O ATOM 181 OE2 GLU A 9 -5.721 -7.755 -8.987 1.00 41.34 O ATOM 0 H GLU A 9 -6.882 -3.995 -4.369 1.00 2.41 H new ATOM 0 HA GLU A 9 -8.596 -4.187 -6.609 1.00 12.15 H new ATOM 0 HB2 GLU A 9 -6.206 -4.533 -6.797 1.00 40.02 H new ATOM 0 HB3 GLU A 9 -6.240 -5.829 -5.618 1.00 40.02 H new ATOM 0 HG2 GLU A 9 -7.523 -7.248 -7.145 1.00 52.31 H new ATOM 0 HG3 GLU A 9 -7.650 -5.941 -8.306 1.00 52.31 H new ATOM 188 N LYS A 10 -8.740 -6.670 -4.427 1.00 40.24 N ATOM 189 CA LYS A 10 -9.555 -7.795 -3.984 1.00 42.14 C ATOM 190 C LYS A 10 -10.948 -7.329 -3.573 1.00 23.24 C ATOM 191 O LYS A 10 -11.951 -7.770 -4.132 1.00 75.25 O ATOM 192 CB LYS A 10 -8.878 -8.511 -2.814 1.00 32.54 C ATOM 193 CG LYS A 10 -9.730 -9.607 -2.197 1.00 60.51 C ATOM 194 CD LYS A 10 -8.878 -10.765 -1.704 1.00 70.23 C ATOM 195 CE LYS A 10 -8.603 -11.767 -2.815 1.00 61.10 C ATOM 196 NZ LYS A 10 -9.312 -13.057 -2.587 1.00 51.41 N ATOM 0 H LYS A 10 -7.925 -6.485 -3.843 1.00 40.24 H new ATOM 0 HA LYS A 10 -9.656 -8.490 -4.818 1.00 42.14 H new ATOM 0 HB2 LYS A 10 -7.938 -8.943 -3.158 1.00 32.54 H new ATOM 0 HB3 LYS A 10 -8.630 -7.779 -2.045 1.00 32.54 H new ATOM 0 HG2 LYS A 10 -10.305 -9.198 -1.366 1.00 60.51 H new ATOM 0 HG3 LYS A 10 -10.447 -9.970 -2.933 1.00 60.51 H new ATOM 0 HD2 LYS A 10 -7.934 -10.384 -1.315 1.00 70.23 H new ATOM 0 HD3 LYS A 10 -9.384 -11.265 -0.879 1.00 70.23 H new ATOM 0 HE2 LYS A 10 -8.915 -11.345 -3.770 1.00 61.10 H new ATOM 0 HE3 LYS A 10 -7.530 -11.949 -2.882 1.00 61.10 H new ATOM 0 HZ1 LYS A 10 -9.099 -13.713 -3.366 1.00 51.41 H new ATOM 0 HZ2 LYS A 10 -8.996 -13.473 -1.688 1.00 51.41 H new ATOM 0 HZ3 LYS A 10 -10.337 -12.887 -2.548 1.00 51.41 H new ATOM 210 N VAL A 11 -11.001 -6.434 -2.591 1.00 74.03 N ATOM 211 CA VAL A 11 -12.271 -5.906 -2.107 1.00 32.45 C ATOM 212 C VAL A 11 -13.093 -5.317 -3.247 1.00 70.25 C ATOM 213 O VAL A 11 -14.323 -5.332 -3.213 1.00 23.01 O ATOM 214 CB VAL A 11 -12.056 -4.825 -1.032 1.00 2.54 C ATOM 215 CG1 VAL A 11 -11.411 -3.588 -1.640 1.00 23.43 C ATOM 216 CG2 VAL A 11 -13.374 -4.472 -0.359 1.00 71.03 C ATOM 0 H VAL A 11 -10.180 -6.060 -2.116 1.00 74.03 H new ATOM 0 HA VAL A 11 -12.814 -6.743 -1.667 1.00 32.45 H new ATOM 0 HB VAL A 11 -11.382 -5.222 -0.273 1.00 2.54 H new ATOM 0 HG11 VAL A 11 -11.267 -2.835 -0.865 1.00 23.43 H new ATOM 0 HG12 VAL A 11 -10.446 -3.855 -2.070 1.00 23.43 H new ATOM 0 HG13 VAL A 11 -12.058 -3.187 -2.420 1.00 23.43 H new ATOM 0 HG21 VAL A 11 -13.203 -3.707 0.398 1.00 71.03 H new ATOM 0 HG22 VAL A 11 -14.074 -4.095 -1.105 1.00 71.03 H new ATOM 0 HG23 VAL A 11 -13.791 -5.362 0.113 1.00 71.03 H new ATOM 226 N GLY A 12 -12.404 -4.798 -4.260 1.00 30.55 N ATOM 227 CA GLY A 12 -13.086 -4.211 -5.398 1.00 35.42 C ATOM 228 C GLY A 12 -13.876 -5.234 -6.191 1.00 44.12 C ATOM 229 O GLY A 12 -15.071 -5.058 -6.428 1.00 0.14 O ATOM 0 H GLY A 12 -11.386 -4.774 -4.312 1.00 30.55 H new ATOM 0 HA2 GLY A 12 -13.759 -3.427 -5.050 1.00 35.42 H new ATOM 0 HA3 GLY A 12 -12.354 -3.736 -6.051 1.00 35.42 H new ATOM 233 N ARG A 13 -13.206 -6.305 -6.605 1.00 0.23 N ATOM 234 CA ARG A 13 -13.852 -7.358 -7.379 1.00 1.12 C ATOM 235 C ARG A 13 -14.766 -8.201 -6.494 1.00 5.22 C ATOM 236 O ARG A 13 -15.786 -8.715 -6.950 1.00 23.12 O ATOM 237 CB ARG A 13 -12.801 -8.250 -8.042 1.00 32.52 C ATOM 238 CG ARG A 13 -12.195 -7.647 -9.299 1.00 32.45 C ATOM 239 CD ARG A 13 -11.715 -8.725 -10.258 1.00 74.21 C ATOM 240 NE ARG A 13 -12.744 -9.092 -11.227 1.00 73.53 N ATOM 241 CZ ARG A 13 -13.049 -8.357 -12.290 1.00 42.54 C ATOM 242 NH1 ARG A 13 -12.406 -7.220 -12.520 1.00 12.31 N ATOM 243 NH2 ARG A 13 -13.998 -8.758 -13.127 1.00 5.31 N ATOM 0 H ARG A 13 -12.216 -6.466 -6.417 1.00 0.23 H new ATOM 0 HA ARG A 13 -14.459 -6.886 -8.152 1.00 1.12 H new ATOM 0 HB2 ARG A 13 -12.004 -8.452 -7.326 1.00 32.52 H new ATOM 0 HB3 ARG A 13 -13.256 -9.209 -8.292 1.00 32.52 H new ATOM 0 HG2 ARG A 13 -12.935 -7.019 -9.796 1.00 32.45 H new ATOM 0 HG3 ARG A 13 -11.360 -7.001 -9.028 1.00 32.45 H new ATOM 0 HD2 ARG A 13 -10.829 -8.372 -10.786 1.00 74.21 H new ATOM 0 HD3 ARG A 13 -11.418 -9.608 -9.692 1.00 74.21 H new ATOM 0 HE ARG A 13 -13.257 -9.961 -11.079 1.00 73.53 H new ATOM 0 HH11 ARG A 13 -11.676 -6.909 -11.880 1.00 12.31 H new ATOM 0 HH12 ARG A 13 -12.642 -6.657 -13.337 1.00 12.31 H new ATOM 0 HH21 ARG A 13 -14.494 -9.632 -12.954 1.00 5.31 H new ATOM 0 HH22 ARG A 13 -14.231 -8.192 -13.943 1.00 5.31 H new ATOM 257 N ASN A 14 -14.391 -8.338 -5.226 1.00 2.41 N ATOM 258 CA ASN A 14 -15.176 -9.119 -4.277 1.00 43.00 C ATOM 259 C ASN A 14 -16.615 -8.617 -4.219 1.00 33.24 C ATOM 260 O ASN A 14 -17.552 -9.346 -4.545 1.00 31.32 O ATOM 261 CB ASN A 14 -14.544 -9.054 -2.885 1.00 51.50 C ATOM 262 CG ASN A 14 -15.221 -9.986 -1.899 1.00 4.13 C ATOM 263 OD1 ASN A 14 -15.872 -10.954 -2.290 1.00 32.42 O ATOM 264 ND2 ASN A 14 -15.069 -9.697 -0.612 1.00 3.44 N ATOM 0 H ASN A 14 -13.549 -7.918 -4.832 1.00 2.41 H new ATOM 0 HA ASN A 14 -15.185 -10.155 -4.616 1.00 43.00 H new ATOM 0 HB2 ASN A 14 -13.487 -9.311 -2.956 1.00 51.50 H new ATOM 0 HB3 ASN A 14 -14.599 -8.032 -2.511 1.00 51.50 H new ATOM 0 HD21 ASN A 14 -15.501 -10.288 0.098 1.00 3.44 H new ATOM 0 HD22 ASN A 14 -14.520 -8.884 -0.333 1.00 3.44 H new ATOM 271 N VAL A 15 -16.784 -7.366 -3.801 1.00 62.41 N ATOM 272 CA VAL A 15 -18.109 -6.766 -3.701 1.00 44.34 C ATOM 273 C VAL A 15 -18.886 -6.930 -5.003 1.00 2.24 C ATOM 274 O VAL A 15 -19.985 -7.483 -5.015 1.00 73.41 O ATOM 275 CB VAL A 15 -18.021 -5.268 -3.354 1.00 42.31 C ATOM 276 CG1 VAL A 15 -19.410 -4.689 -3.129 1.00 25.31 C ATOM 277 CG2 VAL A 15 -17.141 -5.055 -2.131 1.00 71.33 C ATOM 0 H VAL A 15 -16.020 -6.749 -3.526 1.00 62.41 H new ATOM 0 HA VAL A 15 -18.633 -7.287 -2.900 1.00 44.34 H new ATOM 0 HB VAL A 15 -17.567 -4.744 -4.195 1.00 42.31 H new ATOM 0 HG11 VAL A 15 -19.328 -3.630 -2.885 1.00 25.31 H new ATOM 0 HG12 VAL A 15 -20.005 -4.807 -4.035 1.00 25.31 H new ATOM 0 HG13 VAL A 15 -19.894 -5.214 -2.306 1.00 25.31 H new ATOM 0 HG21 VAL A 15 -17.090 -3.991 -1.900 1.00 71.33 H new ATOM 0 HG22 VAL A 15 -17.563 -5.591 -1.281 1.00 71.33 H new ATOM 0 HG23 VAL A 15 -16.138 -5.430 -2.334 1.00 71.33 H new ATOM 287 N ARG A 16 -18.307 -6.445 -6.096 1.00 62.54 N ATOM 288 CA ARG A 16 -18.945 -6.538 -7.404 1.00 15.23 C ATOM 289 C ARG A 16 -19.372 -7.973 -7.700 1.00 42.44 C ATOM 290 O ARG A 16 -20.554 -8.250 -7.905 1.00 43.23 O ATOM 291 CB ARG A 16 -17.996 -6.041 -8.495 1.00 41.42 C ATOM 292 CG ARG A 16 -18.575 -4.920 -9.342 1.00 54.34 C ATOM 293 CD ARG A 16 -18.266 -3.555 -8.747 1.00 55.23 C ATOM 294 NE ARG A 16 -19.385 -3.031 -7.968 1.00 74.24 N ATOM 295 CZ ARG A 16 -19.296 -1.968 -7.177 1.00 31.44 C ATOM 296 NH1 ARG A 16 -18.146 -1.319 -7.060 1.00 20.31 N ATOM 297 NH2 ARG A 16 -20.359 -1.553 -6.500 1.00 11.42 N ATOM 0 H ARG A 16 -17.397 -5.984 -6.102 1.00 62.54 H new ATOM 0 HA ARG A 16 -19.834 -5.908 -7.392 1.00 15.23 H new ATOM 0 HB2 ARG A 16 -17.073 -5.694 -8.031 1.00 41.42 H new ATOM 0 HB3 ARG A 16 -17.733 -6.876 -9.144 1.00 41.42 H new ATOM 0 HG2 ARG A 16 -18.169 -4.978 -10.352 1.00 54.34 H new ATOM 0 HG3 ARG A 16 -19.655 -5.046 -9.425 1.00 54.34 H new ATOM 0 HD2 ARG A 16 -17.384 -3.628 -8.111 1.00 55.23 H new ATOM 0 HD3 ARG A 16 -18.024 -2.857 -9.548 1.00 55.23 H new ATOM 0 HE ARG A 16 -20.284 -3.508 -8.035 1.00 74.24 H new ATOM 0 HH11 ARG A 16 -17.327 -1.636 -7.578 1.00 20.31 H new ATOM 0 HH12 ARG A 16 -18.081 -0.503 -6.452 1.00 20.31 H new ATOM 0 HH21 ARG A 16 -21.245 -2.051 -6.587 1.00 11.42 H new ATOM 0 HH22 ARG A 16 -20.290 -0.736 -5.893 1.00 11.42 H new ATOM 311 N ASP A 17 -18.402 -8.880 -7.722 1.00 42.11 N ATOM 312 CA ASP A 17 -18.676 -10.286 -7.993 1.00 72.31 C ATOM 313 C ASP A 17 -19.777 -10.811 -7.077 1.00 31.50 C ATOM 314 O ASP A 17 -20.655 -11.558 -7.509 1.00 2.51 O ATOM 315 CB ASP A 17 -17.406 -11.119 -7.814 1.00 71.42 C ATOM 316 CG ASP A 17 -16.451 -10.978 -8.983 1.00 54.14 C ATOM 317 OD1 ASP A 17 -16.923 -10.687 -10.102 1.00 73.12 O ATOM 318 OD2 ASP A 17 -15.232 -11.159 -8.780 1.00 14.22 O ATOM 0 H ASP A 17 -17.419 -8.667 -7.555 1.00 42.11 H new ATOM 0 HA ASP A 17 -19.015 -10.372 -9.025 1.00 72.31 H new ATOM 0 HB2 ASP A 17 -16.901 -10.814 -6.897 1.00 71.42 H new ATOM 0 HB3 ASP A 17 -17.677 -12.168 -7.695 1.00 71.42 H new ATOM 323 N GLY A 18 -19.723 -10.417 -5.808 1.00 40.13 N ATOM 324 CA GLY A 18 -20.720 -10.858 -4.851 1.00 32.50 C ATOM 325 C GLY A 18 -22.103 -10.324 -5.166 1.00 72.13 C ATOM 326 O GLY A 18 -23.091 -11.056 -5.090 1.00 3.21 O ATOM 0 H GLY A 18 -19.006 -9.800 -5.426 1.00 40.13 H new ATOM 0 HA2 GLY A 18 -20.749 -11.948 -4.838 1.00 32.50 H new ATOM 0 HA3 GLY A 18 -20.428 -10.535 -3.852 1.00 32.50 H new ATOM 330 N ILE A 19 -22.175 -9.045 -5.520 1.00 32.32 N ATOM 331 CA ILE A 19 -23.448 -8.414 -5.847 1.00 23.22 C ATOM 332 C ILE A 19 -23.999 -8.940 -7.168 1.00 20.43 C ATOM 333 O ILE A 19 -25.210 -9.091 -7.330 1.00 72.41 O ATOM 334 CB ILE A 19 -23.310 -6.883 -5.935 1.00 15.35 C ATOM 335 CG1 ILE A 19 -22.808 -6.317 -4.605 1.00 3.12 C ATOM 336 CG2 ILE A 19 -24.642 -6.253 -6.315 1.00 1.51 C ATOM 337 CD1 ILE A 19 -22.165 -4.954 -4.733 1.00 1.43 C ATOM 0 H ILE A 19 -21.367 -8.426 -5.588 1.00 32.32 H new ATOM 0 HA ILE A 19 -24.140 -8.663 -5.043 1.00 23.22 H new ATOM 0 HB ILE A 19 -22.581 -6.642 -6.709 1.00 15.35 H new ATOM 0 HG12 ILE A 19 -23.644 -6.252 -3.909 1.00 3.12 H new ATOM 0 HG13 ILE A 19 -22.087 -7.011 -4.173 1.00 3.12 H new ATOM 0 HG21 ILE A 19 -24.529 -5.170 -6.373 1.00 1.51 H new ATOM 0 HG22 ILE A 19 -24.963 -6.637 -7.283 1.00 1.51 H new ATOM 0 HG23 ILE A 19 -25.389 -6.500 -5.561 1.00 1.51 H new ATOM 0 HD11 ILE A 19 -21.833 -4.615 -3.752 1.00 1.43 H new ATOM 0 HD12 ILE A 19 -21.308 -5.017 -5.404 1.00 1.43 H new ATOM 0 HD13 ILE A 19 -22.890 -4.246 -5.135 1.00 1.43 H new ATOM 349 N ILE A 20 -23.102 -9.219 -8.107 1.00 71.45 N ATOM 350 CA ILE A 20 -23.499 -9.732 -9.413 1.00 43.11 C ATOM 351 C ILE A 20 -23.910 -11.198 -9.327 1.00 13.45 C ATOM 352 O ILE A 20 -24.922 -11.605 -9.898 1.00 63.13 O ATOM 353 CB ILE A 20 -22.362 -9.589 -10.443 1.00 32.43 C ATOM 354 CG1 ILE A 20 -21.957 -8.121 -10.587 1.00 64.23 C ATOM 355 CG2 ILE A 20 -22.790 -10.161 -11.786 1.00 62.21 C ATOM 356 CD1 ILE A 20 -20.574 -7.931 -11.172 1.00 15.12 C ATOM 0 H ILE A 20 -22.096 -9.099 -7.989 1.00 71.45 H new ATOM 0 HA ILE A 20 -24.352 -9.137 -9.739 1.00 43.11 H new ATOM 0 HB ILE A 20 -21.498 -10.151 -10.090 1.00 32.43 H new ATOM 0 HG12 ILE A 20 -22.684 -7.612 -11.220 1.00 64.23 H new ATOM 0 HG13 ILE A 20 -21.998 -7.643 -9.608 1.00 64.23 H new ATOM 0 HG21 ILE A 20 -21.977 -10.053 -12.503 1.00 62.21 H new ATOM 0 HG22 ILE A 20 -23.034 -11.217 -11.671 1.00 62.21 H new ATOM 0 HG23 ILE A 20 -23.667 -9.624 -12.148 1.00 62.21 H new ATOM 0 HD11 ILE A 20 -20.353 -6.866 -11.245 1.00 15.12 H new ATOM 0 HD12 ILE A 20 -19.837 -8.411 -10.528 1.00 15.12 H new ATOM 0 HD13 ILE A 20 -20.534 -8.379 -12.165 1.00 15.12 H new ATOM 368 N LYS A 21 -23.120 -11.987 -8.606 1.00 15.41 N ATOM 369 CA LYS A 21 -23.403 -13.407 -8.440 1.00 61.43 C ATOM 370 C LYS A 21 -24.810 -13.622 -7.892 1.00 72.25 C ATOM 371 O LYS A 21 -25.714 -14.032 -8.620 1.00 62.23 O ATOM 372 CB LYS A 21 -22.376 -14.047 -7.503 1.00 11.32 C ATOM 373 CG LYS A 21 -21.084 -14.443 -8.196 1.00 21.24 C ATOM 374 CD LYS A 21 -21.016 -15.942 -8.433 1.00 61.43 C ATOM 375 CE LYS A 21 -20.043 -16.615 -7.476 1.00 55.14 C ATOM 376 NZ LYS A 21 -19.660 -17.977 -7.942 1.00 1.45 N ATOM 0 H LYS A 21 -22.278 -11.666 -8.127 1.00 15.41 H new ATOM 0 HA LYS A 21 -23.338 -13.881 -9.419 1.00 61.43 H new ATOM 0 HB2 LYS A 21 -22.147 -13.349 -6.697 1.00 11.32 H new ATOM 0 HB3 LYS A 21 -22.818 -14.931 -7.043 1.00 11.32 H new ATOM 0 HG2 LYS A 21 -21.006 -13.919 -9.149 1.00 21.24 H new ATOM 0 HG3 LYS A 21 -20.234 -14.131 -7.589 1.00 21.24 H new ATOM 0 HD2 LYS A 21 -22.008 -16.376 -8.310 1.00 61.43 H new ATOM 0 HD3 LYS A 21 -20.709 -16.135 -9.461 1.00 61.43 H new ATOM 0 HE2 LYS A 21 -19.148 -16.000 -7.376 1.00 55.14 H new ATOM 0 HE3 LYS A 21 -20.495 -16.683 -6.487 1.00 55.14 H new ATOM 0 HZ1 LYS A 21 -18.996 -18.402 -7.263 1.00 1.45 H new ATOM 0 HZ2 LYS A 21 -20.510 -18.571 -8.013 1.00 1.45 H new ATOM 0 HZ3 LYS A 21 -19.205 -17.910 -8.875 1.00 1.45 H new ATOM 390 N ALA A 22 -24.989 -13.341 -6.606 1.00 23.12 N ATOM 391 CA ALA A 22 -26.287 -13.500 -5.962 1.00 63.31 C ATOM 392 C ALA A 22 -27.139 -12.246 -6.127 1.00 23.41 C ATOM 393 O ALA A 22 -28.072 -12.219 -6.928 1.00 42.02 O ATOM 394 CB ALA A 22 -26.108 -13.829 -4.487 1.00 44.13 C ATOM 0 H ALA A 22 -24.251 -13.002 -5.989 1.00 23.12 H new ATOM 0 HA ALA A 22 -26.806 -14.327 -6.447 1.00 63.31 H new ATOM 0 HB1 ALA A 22 -27.085 -13.945 -4.019 1.00 44.13 H new ATOM 0 HB2 ALA A 22 -25.545 -14.757 -4.387 1.00 44.13 H new ATOM 0 HB3 ALA A 22 -25.565 -13.021 -3.997 1.00 44.13 H new ATOM 400 N GLY A 23 -26.811 -11.209 -5.362 1.00 35.10 N ATOM 401 CA GLY A 23 -27.557 -9.967 -5.438 1.00 54.42 C ATOM 402 C GLY A 23 -27.078 -8.940 -4.431 1.00 73.02 C ATOM 403 O GLY A 23 -26.027 -9.093 -3.809 1.00 41.11 O ATOM 0 H GLY A 23 -26.042 -11.207 -4.691 1.00 35.10 H new ATOM 0 HA2 GLY A 23 -27.468 -9.555 -6.443 1.00 54.42 H new ATOM 0 HA3 GLY A 23 -28.614 -10.171 -5.269 1.00 54.42 H new ATOM 407 N PRO A 24 -27.860 -7.863 -4.260 1.00 61.43 N ATOM 408 CA PRO A 24 -27.529 -6.786 -3.323 1.00 50.34 C ATOM 409 C PRO A 24 -27.649 -7.225 -1.868 1.00 71.32 C ATOM 410 O PRO A 24 -28.662 -6.975 -1.216 1.00 73.41 O ATOM 411 CB PRO A 24 -28.567 -5.707 -3.643 1.00 45.43 C ATOM 412 CG PRO A 24 -29.719 -6.450 -4.225 1.00 41.25 C ATOM 413 CD PRO A 24 -29.127 -7.616 -4.968 1.00 51.43 C ATOM 0 HA PRO A 24 -26.497 -6.452 -3.434 1.00 50.34 H new ATOM 0 HB2 PRO A 24 -28.860 -5.162 -2.746 1.00 45.43 H new ATOM 0 HB3 PRO A 24 -28.172 -4.974 -4.347 1.00 45.43 H new ATOM 0 HG2 PRO A 24 -30.399 -6.790 -3.444 1.00 41.25 H new ATOM 0 HG3 PRO A 24 -30.296 -5.813 -4.895 1.00 41.25 H new ATOM 0 HD2 PRO A 24 -29.782 -8.487 -4.936 1.00 51.43 H new ATOM 0 HD3 PRO A 24 -28.961 -7.380 -6.019 1.00 51.43 H new ATOM 421 N ALA A 25 -26.608 -7.881 -1.365 1.00 74.12 N ATOM 422 CA ALA A 25 -26.597 -8.353 0.014 1.00 62.12 C ATOM 423 C ALA A 25 -25.802 -7.410 0.910 1.00 24.12 C ATOM 424 O ALA A 25 -26.222 -7.093 2.023 1.00 71.10 O ATOM 425 CB ALA A 25 -26.024 -9.761 0.085 1.00 4.30 C ATOM 0 H ALA A 25 -25.762 -8.097 -1.892 1.00 74.12 H new ATOM 0 HA ALA A 25 -27.626 -8.373 0.374 1.00 62.12 H new ATOM 0 HB1 ALA A 25 -26.022 -10.101 1.121 1.00 4.30 H new ATOM 0 HB2 ALA A 25 -26.636 -10.434 -0.516 1.00 4.30 H new ATOM 0 HB3 ALA A 25 -25.004 -9.758 -0.298 1.00 4.30 H new ATOM 431 N VAL A 26 -24.649 -6.965 0.419 1.00 55.12 N ATOM 432 CA VAL A 26 -23.795 -6.057 1.175 1.00 32.55 C ATOM 433 C VAL A 26 -24.584 -4.857 1.686 1.00 74.03 C ATOM 434 O VAL A 26 -24.314 -4.339 2.769 1.00 54.33 O ATOM 435 CB VAL A 26 -22.614 -5.557 0.323 1.00 11.21 C ATOM 436 CG1 VAL A 26 -23.119 -4.840 -0.920 1.00 5.41 C ATOM 437 CG2 VAL A 26 -21.713 -4.647 1.144 1.00 23.44 C ATOM 0 H VAL A 26 -24.285 -7.219 -0.499 1.00 55.12 H new ATOM 0 HA VAL A 26 -23.407 -6.621 2.024 1.00 32.55 H new ATOM 0 HB VAL A 26 -22.028 -6.419 0.004 1.00 11.21 H new ATOM 0 HG11 VAL A 26 -22.271 -4.493 -1.510 1.00 5.41 H new ATOM 0 HG12 VAL A 26 -23.720 -5.526 -1.517 1.00 5.41 H new ATOM 0 HG13 VAL A 26 -23.729 -3.986 -0.625 1.00 5.41 H new ATOM 0 HG21 VAL A 26 -20.884 -4.303 0.526 1.00 23.44 H new ATOM 0 HG22 VAL A 26 -22.285 -3.788 1.494 1.00 23.44 H new ATOM 0 HG23 VAL A 26 -21.324 -5.197 2.001 1.00 23.44 H new ATOM 447 N ALA A 27 -25.562 -4.420 0.898 1.00 65.10 N ATOM 448 CA ALA A 27 -26.392 -3.282 1.271 1.00 53.00 C ATOM 449 C ALA A 27 -27.300 -3.627 2.446 1.00 35.13 C ATOM 450 O ALA A 27 -27.207 -3.022 3.514 1.00 33.15 O ATOM 451 CB ALA A 27 -27.219 -2.820 0.080 1.00 13.55 C ATOM 0 H ALA A 27 -25.798 -4.837 -0.002 1.00 65.10 H new ATOM 0 HA ALA A 27 -25.735 -2.469 1.580 1.00 53.00 H new ATOM 0 HB1 ALA A 27 -27.835 -1.969 0.372 1.00 13.55 H new ATOM 0 HB2 ALA A 27 -26.554 -2.525 -0.732 1.00 13.55 H new ATOM 0 HB3 ALA A 27 -27.861 -3.634 -0.255 1.00 13.55 H new ATOM 457 N VAL A 28 -28.180 -4.603 2.242 1.00 3.13 N ATOM 458 CA VAL A 28 -29.105 -5.029 3.286 1.00 40.25 C ATOM 459 C VAL A 28 -28.357 -5.441 4.548 1.00 32.44 C ATOM 460 O VAL A 28 -28.822 -5.204 5.664 1.00 63.35 O ATOM 461 CB VAL A 28 -29.981 -6.205 2.813 1.00 3.43 C ATOM 462 CG1 VAL A 28 -29.113 -7.356 2.330 1.00 62.35 C ATOM 463 CG2 VAL A 28 -30.910 -6.658 3.929 1.00 25.43 C ATOM 0 H VAL A 28 -28.272 -5.113 1.364 1.00 3.13 H new ATOM 0 HA VAL A 28 -29.745 -4.176 3.510 1.00 40.25 H new ATOM 0 HB VAL A 28 -30.593 -5.868 1.976 1.00 3.43 H new ATOM 0 HG11 VAL A 28 -29.749 -8.178 2.000 1.00 62.35 H new ATOM 0 HG12 VAL A 28 -28.493 -7.020 1.499 1.00 62.35 H new ATOM 0 HG13 VAL A 28 -28.474 -7.697 3.145 1.00 62.35 H new ATOM 0 HG21 VAL A 28 -31.522 -7.489 3.578 1.00 25.43 H new ATOM 0 HG22 VAL A 28 -30.319 -6.979 4.787 1.00 25.43 H new ATOM 0 HG23 VAL A 28 -31.556 -5.831 4.223 1.00 25.43 H new ATOM 473 N VAL A 29 -27.195 -6.060 4.366 1.00 70.52 N ATOM 474 CA VAL A 29 -26.381 -6.505 5.490 1.00 22.35 C ATOM 475 C VAL A 29 -25.705 -5.326 6.180 1.00 2.51 C ATOM 476 O VAL A 29 -25.876 -5.113 7.380 1.00 63.13 O ATOM 477 CB VAL A 29 -25.303 -7.509 5.041 1.00 62.24 C ATOM 478 CG1 VAL A 29 -24.428 -7.917 6.217 1.00 55.14 C ATOM 479 CG2 VAL A 29 -25.946 -8.728 4.396 1.00 11.12 C ATOM 0 H VAL A 29 -26.796 -6.265 3.450 1.00 70.52 H new ATOM 0 HA VAL A 29 -27.054 -6.996 6.192 1.00 22.35 H new ATOM 0 HB VAL A 29 -24.668 -7.025 4.298 1.00 62.24 H new ATOM 0 HG11 VAL A 29 -23.673 -8.627 5.879 1.00 55.14 H new ATOM 0 HG12 VAL A 29 -23.939 -7.035 6.630 1.00 55.14 H new ATOM 0 HG13 VAL A 29 -25.045 -8.382 6.986 1.00 55.14 H new ATOM 0 HG21 VAL A 29 -25.170 -9.427 4.085 1.00 11.12 H new ATOM 0 HG22 VAL A 29 -26.605 -9.215 5.115 1.00 11.12 H new ATOM 0 HG23 VAL A 29 -26.524 -8.417 3.526 1.00 11.12 H new ATOM 489 N GLY A 30 -24.936 -4.559 5.412 1.00 22.42 N ATOM 490 CA GLY A 30 -24.245 -3.409 5.966 1.00 34.54 C ATOM 491 C GLY A 30 -25.195 -2.416 6.606 1.00 40.24 C ATOM 492 O GLY A 30 -24.994 -2.002 7.747 1.00 24.21 O ATOM 0 H GLY A 30 -24.779 -4.714 4.416 1.00 22.42 H new ATOM 0 HA2 GLY A 30 -23.522 -3.746 6.709 1.00 34.54 H new ATOM 0 HA3 GLY A 30 -23.682 -2.912 5.176 1.00 34.54 H new ATOM 496 N GLN A 31 -26.231 -2.031 5.868 1.00 52.03 N ATOM 497 CA GLN A 31 -27.214 -1.077 6.370 1.00 64.45 C ATOM 498 C GLN A 31 -27.843 -1.576 7.666 1.00 3.44 C ATOM 499 O GLN A 31 -27.744 -0.924 8.706 1.00 71.13 O ATOM 500 CB GLN A 31 -28.301 -0.834 5.322 1.00 72.43 C ATOM 501 CG GLN A 31 -29.154 0.392 5.603 1.00 1.20 C ATOM 502 CD GLN A 31 -30.036 0.771 4.430 1.00 15.01 C ATOM 503 OE1 GLN A 31 -29.660 0.591 3.272 1.00 51.14 O ATOM 504 NE2 GLN A 31 -31.219 1.299 4.725 1.00 62.13 N ATOM 0 H GLN A 31 -26.412 -2.364 4.921 1.00 52.03 H new ATOM 0 HA GLN A 31 -26.700 -0.138 6.575 1.00 64.45 H new ATOM 0 HB2 GLN A 31 -27.833 -0.724 4.344 1.00 72.43 H new ATOM 0 HB3 GLN A 31 -28.946 -1.711 5.270 1.00 72.43 H new ATOM 0 HG2 GLN A 31 -29.779 0.203 6.476 1.00 1.20 H new ATOM 0 HG3 GLN A 31 -28.505 1.232 5.851 1.00 1.20 H new ATOM 0 HE21 GLN A 31 -31.490 1.430 5.699 1.00 62.13 H new ATOM 0 HE22 GLN A 31 -31.856 1.573 3.977 1.00 62.13 H new ATOM 513 N ALA A 32 -28.490 -2.734 7.597 1.00 23.45 N ATOM 514 CA ALA A 32 -29.133 -3.321 8.766 1.00 15.44 C ATOM 515 C ALA A 32 -28.148 -3.464 9.921 1.00 33.35 C ATOM 516 O ALA A 32 -28.442 -3.077 11.052 1.00 32.31 O ATOM 517 CB ALA A 32 -29.738 -4.672 8.414 1.00 5.02 C ATOM 0 H ALA A 32 -28.583 -3.285 6.744 1.00 23.45 H new ATOM 0 HA ALA A 32 -29.931 -2.651 9.085 1.00 15.44 H new ATOM 0 HB1 ALA A 32 -30.215 -5.098 9.297 1.00 5.02 H new ATOM 0 HB2 ALA A 32 -30.481 -4.544 7.627 1.00 5.02 H new ATOM 0 HB3 ALA A 32 -28.953 -5.343 8.066 1.00 5.02 H new ATOM 523 N ALA A 33 -26.979 -4.024 9.629 1.00 3.34 N ATOM 524 CA ALA A 33 -25.950 -4.217 10.644 1.00 61.23 C ATOM 525 C ALA A 33 -25.553 -2.891 11.283 1.00 42.22 C ATOM 526 O ALA A 33 -25.424 -2.791 12.503 1.00 23.35 O ATOM 527 CB ALA A 33 -24.732 -4.898 10.037 1.00 32.51 C ATOM 0 H ALA A 33 -26.721 -4.352 8.698 1.00 3.34 H new ATOM 0 HA ALA A 33 -26.360 -4.858 11.425 1.00 61.23 H new ATOM 0 HB1 ALA A 33 -23.972 -5.036 10.806 1.00 32.51 H new ATOM 0 HB2 ALA A 33 -25.021 -5.869 9.634 1.00 32.51 H new ATOM 0 HB3 ALA A 33 -24.330 -4.278 9.236 1.00 32.51 H new ATOM 533 N THR A 34 -25.359 -1.872 10.450 1.00 32.43 N ATOM 534 CA THR A 34 -24.975 -0.552 10.934 1.00 62.41 C ATOM 535 C THR A 34 -26.098 0.085 11.744 1.00 22.22 C ATOM 536 O THR A 34 -25.854 0.718 12.771 1.00 3.50 O ATOM 537 CB THR A 34 -24.601 0.385 9.770 1.00 1.23 C ATOM 538 OG1 THR A 34 -23.524 -0.179 9.014 1.00 43.52 O ATOM 539 CG2 THR A 34 -24.199 1.758 10.289 1.00 32.30 C ATOM 0 H THR A 34 -25.462 -1.936 9.437 1.00 32.43 H new ATOM 0 HA THR A 34 -24.104 -0.691 11.574 1.00 62.41 H new ATOM 0 HB THR A 34 -25.475 0.498 9.128 1.00 1.23 H new ATOM 0 HG1 THR A 34 -23.864 -0.906 8.452 1.00 43.52 H new ATOM 0 HG21 THR A 34 -23.939 2.403 9.449 1.00 32.30 H new ATOM 0 HG22 THR A 34 -25.031 2.197 10.839 1.00 32.30 H new ATOM 0 HG23 THR A 34 -23.338 1.659 10.951 1.00 32.30 H new ATOM 547 N VAL A 35 -27.330 -0.088 11.277 1.00 52.43 N ATOM 548 CA VAL A 35 -28.492 0.469 11.959 1.00 2.44 C ATOM 549 C VAL A 35 -28.729 -0.224 13.296 1.00 25.41 C ATOM 550 O VAL A 35 -29.059 0.419 14.292 1.00 10.31 O ATOM 551 CB VAL A 35 -29.762 0.346 11.097 1.00 32.03 C ATOM 552 CG1 VAL A 35 -30.968 0.899 11.841 1.00 33.22 C ATOM 553 CG2 VAL A 35 -29.574 1.058 9.767 1.00 43.45 C ATOM 0 H VAL A 35 -27.549 -0.610 10.429 1.00 52.43 H new ATOM 0 HA VAL A 35 -28.281 1.524 12.132 1.00 2.44 H new ATOM 0 HB VAL A 35 -29.942 -0.710 10.895 1.00 32.03 H new ATOM 0 HG11 VAL A 35 -31.856 0.804 11.216 1.00 33.22 H new ATOM 0 HG12 VAL A 35 -31.113 0.340 12.765 1.00 33.22 H new ATOM 0 HG13 VAL A 35 -30.800 1.950 12.075 1.00 33.22 H new ATOM 0 HG21 VAL A 35 -30.481 0.961 9.171 1.00 43.45 H new ATOM 0 HG22 VAL A 35 -29.368 2.113 9.945 1.00 43.45 H new ATOM 0 HG23 VAL A 35 -28.737 0.611 9.230 1.00 43.45 H new ATOM 563 N VAL A 36 -28.557 -1.542 13.311 1.00 22.52 N ATOM 564 CA VAL A 36 -28.750 -2.325 14.526 1.00 10.23 C ATOM 565 C VAL A 36 -27.599 -2.115 15.504 1.00 14.41 C ATOM 566 O VAL A 36 -27.814 -1.805 16.676 1.00 13.41 O ATOM 567 CB VAL A 36 -28.874 -3.828 14.212 1.00 15.44 C ATOM 568 CG1 VAL A 36 -29.044 -4.629 15.494 1.00 14.32 C ATOM 569 CG2 VAL A 36 -30.034 -4.078 13.260 1.00 64.23 C ATOM 0 H VAL A 36 -28.284 -2.090 12.495 1.00 22.52 H new ATOM 0 HA VAL A 36 -29.678 -1.979 14.981 1.00 10.23 H new ATOM 0 HB VAL A 36 -27.956 -4.157 13.725 1.00 15.44 H new ATOM 0 HG11 VAL A 36 -29.130 -5.688 15.252 1.00 14.32 H new ATOM 0 HG12 VAL A 36 -28.179 -4.473 16.138 1.00 14.32 H new ATOM 0 HG13 VAL A 36 -29.945 -4.301 16.011 1.00 14.32 H new ATOM 0 HG21 VAL A 36 -30.108 -5.145 13.048 1.00 64.23 H new ATOM 0 HG22 VAL A 36 -30.961 -3.734 13.718 1.00 64.23 H new ATOM 0 HG23 VAL A 36 -29.865 -3.535 12.330 1.00 64.23 H new ATOM 579 N LYS A 37 -26.376 -2.285 15.015 1.00 41.23 N ATOM 580 CA LYS A 37 -25.189 -2.112 15.844 1.00 61.34 C ATOM 581 C LYS A 37 -25.093 -0.682 16.366 1.00 60.33 C ATOM 582 O LYS A 37 -24.565 -0.442 17.452 1.00 44.35 O ATOM 583 CB LYS A 37 -23.930 -2.461 15.047 1.00 41.04 C ATOM 584 CG LYS A 37 -22.671 -2.520 15.894 1.00 63.52 C ATOM 585 CD LYS A 37 -21.703 -3.574 15.382 1.00 72.35 C ATOM 586 CE LYS A 37 -20.266 -3.078 15.422 1.00 60.03 C ATOM 587 NZ LYS A 37 -19.314 -4.092 14.890 1.00 50.05 N ATOM 0 H LYS A 37 -26.180 -2.543 14.048 1.00 41.23 H new ATOM 0 HA LYS A 37 -25.271 -2.786 16.697 1.00 61.34 H new ATOM 0 HB2 LYS A 37 -24.075 -3.425 14.559 1.00 41.04 H new ATOM 0 HB3 LYS A 37 -23.793 -1.721 14.258 1.00 41.04 H new ATOM 0 HG2 LYS A 37 -22.184 -1.545 15.891 1.00 63.52 H new ATOM 0 HG3 LYS A 37 -22.937 -2.740 16.928 1.00 63.52 H new ATOM 0 HD2 LYS A 37 -21.794 -4.477 15.986 1.00 72.35 H new ATOM 0 HD3 LYS A 37 -21.967 -3.846 14.360 1.00 72.35 H new ATOM 0 HE2 LYS A 37 -20.182 -2.160 14.840 1.00 60.03 H new ATOM 0 HE3 LYS A 37 -19.996 -2.830 16.448 1.00 60.03 H new ATOM 0 HZ1 LYS A 37 -18.345 -3.716 14.934 1.00 50.05 H new ATOM 0 HZ2 LYS A 37 -19.375 -4.959 15.461 1.00 50.05 H new ATOM 0 HZ3 LYS A 37 -19.556 -4.310 13.902 1.00 50.05 H new HETATM 601 N NH2 A 38 -25.608 0.263 15.586 1.00 14.35 N TER 603 NH2 A 38