USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=5 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+ -157:sc= -0.3 (180deg=-0.81) USER MOD Single : A 3 LYS NZ :NH3+ 157:sc=-0.00414 (180deg=-0.636) USER MOD Single : A 6 LYS NZ :NH3+ -104:sc= -0.0283 (180deg=-0.647) 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 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -141:sc= -0.0901 (180deg=-0.803) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 76:sc= 1.12 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.970 0.023 0.396 1.00 3.02 N ATOM 2 CA ARG A 1 1.560 -0.257 -0.974 1.00 74.42 C ATOM 3 C ARG A 1 1.182 -1.727 -1.139 1.00 2.31 C ATOM 4 O ARG A 1 1.647 -2.397 -2.061 1.00 33.32 O ATOM 5 CB ARG A 1 2.681 0.105 -1.950 1.00 22.55 C ATOM 6 CG ARG A 1 2.976 1.594 -2.014 1.00 14.35 C ATOM 7 CD ARG A 1 4.013 2.002 -0.979 1.00 12.20 C ATOM 8 NE ARG A 1 3.463 2.919 0.016 1.00 74.02 N ATOM 9 CZ ARG A 1 4.120 3.304 1.104 1.00 44.24 C ATOM 10 NH1 ARG A 1 5.346 2.855 1.335 1.00 21.31 N ATOM 11 NH2 ARG A 1 3.552 4.141 1.962 1.00 5.33 N ATOM 0 H1 ARG A 1 1.847 1.036 0.595 1.00 3.02 H new ATOM 0 H2 ARG A 1 1.386 -0.532 1.054 1.00 3.02 H new ATOM 0 H3 ARG A 1 2.970 -0.235 0.519 1.00 3.02 H new ATOM 0 HA ARG A 1 0.684 0.353 -1.196 1.00 74.42 H new ATOM 0 HB2 ARG A 1 3.589 -0.424 -1.660 1.00 22.55 H new ATOM 0 HB3 ARG A 1 2.412 -0.246 -2.946 1.00 22.55 H new ATOM 0 HG2 ARG A 1 3.334 1.853 -3.011 1.00 14.35 H new ATOM 0 HG3 ARG A 1 2.056 2.156 -1.850 1.00 14.35 H new ATOM 0 HD2 ARG A 1 4.396 1.112 -0.479 1.00 12.20 H new ATOM 0 HD3 ARG A 1 4.858 2.475 -1.480 1.00 12.20 H new ATOM 0 HE ARG A 1 2.522 3.284 -0.133 1.00 74.02 H new ATOM 0 HH11 ARG A 1 5.786 2.213 0.676 1.00 21.31 H new ATOM 0 HH12 ARG A 1 5.849 3.152 2.171 1.00 21.31 H new ATOM 0 HH21 ARG A 1 2.610 4.490 1.786 1.00 5.33 H new ATOM 0 HH22 ARG A 1 4.058 4.436 2.797 1.00 5.33 H new ATOM 25 N TRP A 2 0.339 -2.219 -0.239 1.00 75.55 N ATOM 26 CA TRP A 2 -0.101 -3.610 -0.285 1.00 3.41 C ATOM 27 C TRP A 2 -1.513 -3.753 0.271 1.00 52.41 C ATOM 28 O TRP A 2 -2.424 -4.199 -0.427 1.00 41.44 O ATOM 29 CB TRP A 2 0.864 -4.497 0.505 1.00 55.54 C ATOM 30 CG TRP A 2 0.387 -5.910 0.649 1.00 63.34 C ATOM 31 CD1 TRP A 2 0.482 -6.906 -0.282 1.00 13.24 C ATOM 32 CD2 TRP A 2 -0.259 -6.485 1.790 1.00 54.34 C ATOM 33 NE1 TRP A 2 -0.067 -8.064 0.212 1.00 33.55 N ATOM 34 CE2 TRP A 2 -0.528 -7.833 1.481 1.00 11.34 C ATOM 35 CE3 TRP A 2 -0.636 -5.992 3.042 1.00 24.31 C ATOM 36 CZ2 TRP A 2 -1.156 -8.690 2.380 1.00 33.54 C ATOM 37 CZ3 TRP A 2 -1.259 -6.845 3.933 1.00 12.11 C ATOM 38 CH2 TRP A 2 -1.514 -8.182 3.599 1.00 1.24 C ATOM 0 H TRP A 2 -0.054 -1.677 0.531 1.00 75.55 H new ATOM 0 HA TRP A 2 -0.107 -3.929 -1.327 1.00 3.41 H new ATOM 0 HB2 TRP A 2 1.835 -4.497 0.009 1.00 55.54 H new ATOM 0 HB3 TRP A 2 1.012 -4.068 1.496 1.00 55.54 H new ATOM 0 HD1 TRP A 2 0.924 -6.798 -1.262 1.00 13.24 H new ATOM 0 HE1 TRP A 2 -0.122 -8.953 -0.286 1.00 33.55 H new ATOM 0 HE3 TRP A 2 -0.444 -4.963 3.308 1.00 24.31 H new ATOM 0 HZ2 TRP A 2 -1.354 -9.720 2.124 1.00 33.54 H new ATOM 0 HZ3 TRP A 2 -1.555 -6.475 4.904 1.00 12.11 H new ATOM 0 HH2 TRP A 2 -2.002 -8.824 4.317 1.00 1.24 H new ATOM 49 N LYS A 3 -1.690 -3.371 1.531 1.00 21.54 N ATOM 50 CA LYS A 3 -2.992 -3.456 2.181 1.00 14.43 C ATOM 51 C LYS A 3 -4.054 -2.721 1.369 1.00 11.44 C ATOM 52 O LYS A 3 -5.047 -3.314 0.947 1.00 62.21 O ATOM 53 CB LYS A 3 -2.919 -2.871 3.594 1.00 54.55 C ATOM 54 CG LYS A 3 -3.652 -3.700 4.634 1.00 1.11 C ATOM 55 CD LYS A 3 -5.123 -3.327 4.710 1.00 60.04 C ATOM 56 CE LYS A 3 -5.867 -4.195 5.713 1.00 72.13 C ATOM 57 NZ LYS A 3 -7.155 -4.701 5.161 1.00 2.51 N ATOM 0 H LYS A 3 -0.947 -2.999 2.123 1.00 21.54 H new ATOM 0 HA LYS A 3 -3.271 -4.508 2.244 1.00 14.43 H new ATOM 0 HB2 LYS A 3 -1.873 -2.779 3.886 1.00 54.55 H new ATOM 0 HB3 LYS A 3 -3.337 -1.864 3.583 1.00 54.55 H new ATOM 0 HG2 LYS A 3 -3.556 -4.758 4.390 1.00 1.11 H new ATOM 0 HG3 LYS A 3 -3.188 -3.554 5.610 1.00 1.11 H new ATOM 0 HD2 LYS A 3 -5.219 -2.279 4.992 1.00 60.04 H new ATOM 0 HD3 LYS A 3 -5.578 -3.435 3.726 1.00 60.04 H new ATOM 0 HE2 LYS A 3 -5.239 -5.038 6.000 1.00 72.13 H new ATOM 0 HE3 LYS A 3 -6.061 -3.619 6.618 1.00 72.13 H new ATOM 0 HZ1 LYS A 3 -7.438 -5.561 5.673 1.00 2.51 H new ATOM 0 HZ2 LYS A 3 -7.890 -3.974 5.273 1.00 2.51 H new ATOM 0 HZ3 LYS A 3 -7.037 -4.922 4.152 1.00 2.51 H new ATOM 71 N ILE A 4 -3.838 -1.427 1.154 1.00 65.51 N ATOM 72 CA ILE A 4 -4.775 -0.613 0.390 1.00 22.33 C ATOM 73 C ILE A 4 -4.998 -1.192 -1.003 1.00 23.33 C ATOM 74 O ILE A 4 -6.134 -1.434 -1.412 1.00 25.43 O ATOM 75 CB ILE A 4 -4.280 0.839 0.257 1.00 12.11 C ATOM 76 CG1 ILE A 4 -4.021 1.441 1.640 1.00 41.45 C ATOM 77 CG2 ILE A 4 -5.294 1.676 -0.510 1.00 23.45 C ATOM 78 CD1 ILE A 4 -2.552 1.578 1.973 1.00 21.03 C ATOM 0 H ILE A 4 -3.022 -0.920 1.498 1.00 65.51 H new ATOM 0 HA ILE A 4 -5.717 -0.619 0.938 1.00 22.33 H new ATOM 0 HB ILE A 4 -3.343 0.839 -0.300 1.00 12.11 H new ATOM 0 HG12 ILE A 4 -4.491 2.423 1.694 1.00 41.45 H new ATOM 0 HG13 ILE A 4 -4.500 0.817 2.395 1.00 41.45 H new ATOM 0 HG21 ILE A 4 -4.930 2.700 -0.596 1.00 23.45 H new ATOM 0 HG22 ILE A 4 -5.434 1.256 -1.506 1.00 23.45 H new ATOM 0 HG23 ILE A 4 -6.245 1.673 0.022 1.00 23.45 H new ATOM 0 HD11 ILE A 4 -2.443 2.011 2.967 1.00 21.03 H new ATOM 0 HD12 ILE A 4 -2.081 0.595 1.952 1.00 21.03 H new ATOM 0 HD13 ILE A 4 -2.072 2.226 1.240 1.00 21.03 H new ATOM 90 N PHE A 5 -3.906 -1.414 -1.727 1.00 61.00 N ATOM 91 CA PHE A 5 -3.981 -1.966 -3.075 1.00 14.04 C ATOM 92 C PHE A 5 -4.816 -3.243 -3.093 1.00 63.51 C ATOM 93 O PHE A 5 -5.848 -3.316 -3.761 1.00 45.30 O ATOM 94 CB PHE A 5 -2.577 -2.253 -3.611 1.00 13.43 C ATOM 95 CG PHE A 5 -2.543 -2.521 -5.088 1.00 41.12 C ATOM 96 CD1 PHE A 5 -2.885 -1.530 -5.994 1.00 1.32 C ATOM 97 CD2 PHE A 5 -2.169 -3.765 -5.571 1.00 51.42 C ATOM 98 CE1 PHE A 5 -2.854 -1.773 -7.354 1.00 61.21 C ATOM 99 CE2 PHE A 5 -2.136 -4.014 -6.930 1.00 41.22 C ATOM 100 CZ PHE A 5 -2.480 -3.017 -7.823 1.00 21.33 C ATOM 0 H PHE A 5 -2.958 -1.220 -1.403 1.00 61.00 H new ATOM 0 HA PHE A 5 -4.463 -1.228 -3.717 1.00 14.04 H new ATOM 0 HB2 PHE A 5 -1.931 -1.403 -3.389 1.00 13.43 H new ATOM 0 HB3 PHE A 5 -2.164 -3.113 -3.084 1.00 13.43 H new ATOM 0 HD1 PHE A 5 -3.179 -0.556 -5.633 1.00 1.32 H new ATOM 0 HD2 PHE A 5 -1.900 -4.548 -4.878 1.00 51.42 H new ATOM 0 HE1 PHE A 5 -3.122 -0.991 -8.049 1.00 61.21 H new ATOM 0 HE2 PHE A 5 -1.842 -4.987 -7.294 1.00 41.22 H new ATOM 0 HZ PHE A 5 -2.456 -3.210 -8.885 1.00 21.33 H new ATOM 110 N LYS A 6 -4.361 -4.251 -2.355 1.00 50.52 N ATOM 111 CA LYS A 6 -5.064 -5.526 -2.285 1.00 23.24 C ATOM 112 C LYS A 6 -6.519 -5.324 -1.875 1.00 51.34 C ATOM 113 O LYS A 6 -7.431 -5.869 -2.497 1.00 54.10 O ATOM 114 CB LYS A 6 -4.369 -6.460 -1.291 1.00 62.44 C ATOM 115 CG LYS A 6 -4.844 -7.900 -1.376 1.00 72.41 C ATOM 116 CD LYS A 6 -5.389 -8.387 -0.044 1.00 23.14 C ATOM 117 CE LYS A 6 -4.268 -8.697 0.937 1.00 62.33 C ATOM 118 NZ LYS A 6 -3.411 -9.819 0.463 1.00 60.24 N ATOM 0 H LYS A 6 -3.508 -4.209 -1.797 1.00 50.52 H new ATOM 0 HA LYS A 6 -5.044 -5.978 -3.276 1.00 23.24 H new ATOM 0 HB2 LYS A 6 -3.294 -6.430 -1.468 1.00 62.44 H new ATOM 0 HB3 LYS A 6 -4.536 -6.090 -0.279 1.00 62.44 H new ATOM 0 HG2 LYS A 6 -5.617 -7.984 -2.139 1.00 72.41 H new ATOM 0 HG3 LYS A 6 -4.018 -8.539 -1.687 1.00 72.41 H new ATOM 0 HD2 LYS A 6 -6.046 -7.628 0.381 1.00 23.14 H new ATOM 0 HD3 LYS A 6 -5.993 -9.280 -0.202 1.00 23.14 H new ATOM 0 HE2 LYS A 6 -3.655 -7.807 1.081 1.00 62.33 H new ATOM 0 HE3 LYS A 6 -4.694 -8.951 1.908 1.00 62.33 H new ATOM 0 HZ1 LYS A 6 -3.642 -10.682 0.996 1.00 60.24 H new ATOM 0 HZ2 LYS A 6 -3.581 -9.982 -0.550 1.00 60.24 H new ATOM 0 HZ3 LYS A 6 -2.410 -9.578 0.611 1.00 60.24 H new ATOM 132 N LYS A 7 -6.730 -4.535 -0.827 1.00 21.53 N ATOM 133 CA LYS A 7 -8.074 -4.258 -0.335 1.00 74.05 C ATOM 134 C LYS A 7 -8.951 -3.684 -1.444 1.00 70.20 C ATOM 135 O LYS A 7 -9.915 -4.317 -1.876 1.00 12.05 O ATOM 136 CB LYS A 7 -8.018 -3.282 0.842 1.00 51.33 C ATOM 137 CG LYS A 7 -9.362 -3.060 1.513 1.00 75.11 C ATOM 138 CD LYS A 7 -9.209 -2.347 2.846 1.00 55.43 C ATOM 139 CE LYS A 7 -10.560 -2.069 3.487 1.00 12.53 C ATOM 140 NZ LYS A 7 -10.929 -0.628 3.402 1.00 25.15 N ATOM 0 H LYS A 7 -5.986 -4.076 -0.301 1.00 21.53 H new ATOM 0 HA LYS A 7 -8.512 -5.198 0.001 1.00 74.05 H new ATOM 0 HB2 LYS A 7 -7.310 -3.657 1.581 1.00 51.33 H new ATOM 0 HB3 LYS A 7 -7.634 -2.324 0.491 1.00 51.33 H new ATOM 0 HG2 LYS A 7 -10.005 -2.473 0.857 1.00 75.11 H new ATOM 0 HG3 LYS A 7 -9.856 -4.020 1.667 1.00 75.11 H new ATOM 0 HD2 LYS A 7 -8.604 -2.956 3.518 1.00 55.43 H new ATOM 0 HD3 LYS A 7 -8.675 -1.408 2.699 1.00 55.43 H new ATOM 0 HE2 LYS A 7 -11.326 -2.669 2.995 1.00 12.53 H new ATOM 0 HE3 LYS A 7 -10.536 -2.377 4.532 1.00 12.53 H new ATOM 0 HZ1 LYS A 7 -11.856 -0.480 3.850 1.00 25.15 H new ATOM 0 HZ2 LYS A 7 -10.212 -0.057 3.893 1.00 25.15 H new ATOM 0 HZ3 LYS A 7 -10.977 -0.340 2.404 1.00 25.15 H new ATOM 154 N ILE A 8 -8.609 -2.484 -1.901 1.00 72.31 N ATOM 155 CA ILE A 8 -9.364 -1.828 -2.961 1.00 51.31 C ATOM 156 C ILE A 8 -9.540 -2.750 -4.163 1.00 11.32 C ATOM 157 O ILE A 8 -10.626 -2.840 -4.733 1.00 75.54 O ATOM 158 CB ILE A 8 -8.676 -0.529 -3.421 1.00 64.11 C ATOM 159 CG1 ILE A 8 -8.518 0.435 -2.244 1.00 12.14 C ATOM 160 CG2 ILE A 8 -9.469 0.122 -4.544 1.00 14.23 C ATOM 161 CD1 ILE A 8 -9.835 0.913 -1.674 1.00 54.50 C ATOM 0 H ILE A 8 -7.814 -1.947 -1.554 1.00 72.31 H new ATOM 0 HA ILE A 8 -10.342 -1.585 -2.547 1.00 51.31 H new ATOM 0 HB ILE A 8 -7.684 -0.775 -3.799 1.00 64.11 H new ATOM 0 HG12 ILE A 8 -7.947 -0.057 -1.456 1.00 12.14 H new ATOM 0 HG13 ILE A 8 -7.936 1.298 -2.567 1.00 12.14 H new ATOM 0 HG21 ILE A 8 -8.970 1.039 -4.858 1.00 14.23 H new ATOM 0 HG22 ILE A 8 -9.533 -0.564 -5.389 1.00 14.23 H new ATOM 0 HG23 ILE A 8 -10.473 0.358 -4.191 1.00 14.23 H new ATOM 0 HD11 ILE A 8 -9.647 1.593 -0.843 1.00 54.50 H new ATOM 0 HD12 ILE A 8 -10.399 1.434 -2.448 1.00 54.50 H new ATOM 0 HD13 ILE A 8 -10.410 0.058 -1.320 1.00 54.50 H new ATOM 173 N GLU A 9 -8.464 -3.433 -4.540 1.00 71.12 N ATOM 174 CA GLU A 9 -8.501 -4.349 -5.674 1.00 23.40 C ATOM 175 C GLU A 9 -9.531 -5.453 -5.449 1.00 3.42 C ATOM 176 O GLU A 9 -10.319 -5.773 -6.339 1.00 22.43 O ATOM 177 CB GLU A 9 -7.119 -4.966 -5.905 1.00 14.31 C ATOM 178 CG GLU A 9 -7.045 -5.848 -7.140 1.00 12.30 C ATOM 179 CD GLU A 9 -6.940 -5.047 -8.423 1.00 51.33 C ATOM 180 OE1 GLU A 9 -5.805 -4.703 -8.816 1.00 74.43 O ATOM 181 OE2 GLU A 9 -7.992 -4.763 -9.034 1.00 65.11 O ATOM 0 H GLU A 9 -7.557 -3.370 -4.078 1.00 71.12 H new ATOM 0 HA GLU A 9 -8.790 -3.780 -6.558 1.00 23.40 H new ATOM 0 HB2 GLU A 9 -6.384 -4.166 -5.995 1.00 14.31 H new ATOM 0 HB3 GLU A 9 -6.843 -5.556 -5.031 1.00 14.31 H new ATOM 0 HG2 GLU A 9 -6.183 -6.510 -7.058 1.00 12.30 H new ATOM 0 HG3 GLU A 9 -7.931 -6.482 -7.183 1.00 12.30 H new ATOM 188 N LYS A 10 -9.518 -6.031 -4.252 1.00 40.55 N ATOM 189 CA LYS A 10 -10.450 -7.097 -3.908 1.00 31.44 C ATOM 190 C LYS A 10 -11.877 -6.565 -3.817 1.00 63.30 C ATOM 191 O LYS A 10 -12.826 -7.233 -4.226 1.00 74.41 O ATOM 192 CB LYS A 10 -10.050 -7.743 -2.579 1.00 2.30 C ATOM 193 CG LYS A 10 -10.595 -9.149 -2.397 1.00 11.41 C ATOM 194 CD LYS A 10 -11.017 -9.401 -0.959 1.00 73.12 C ATOM 195 CE LYS A 10 -11.319 -10.872 -0.717 1.00 73.02 C ATOM 196 NZ LYS A 10 -10.158 -11.585 -0.116 1.00 73.00 N ATOM 0 H LYS A 10 -8.872 -5.778 -3.504 1.00 40.55 H new ATOM 0 HA LYS A 10 -10.411 -7.848 -4.697 1.00 31.44 H new ATOM 0 HB2 LYS A 10 -8.962 -7.773 -2.512 1.00 2.30 H new ATOM 0 HB3 LYS A 10 -10.403 -7.117 -1.760 1.00 2.30 H new ATOM 0 HG2 LYS A 10 -11.448 -9.298 -3.059 1.00 11.41 H new ATOM 0 HG3 LYS A 10 -9.836 -9.875 -2.687 1.00 11.41 H new ATOM 0 HD2 LYS A 10 -10.226 -9.075 -0.284 1.00 73.12 H new ATOM 0 HD3 LYS A 10 -11.899 -8.804 -0.728 1.00 73.12 H new ATOM 0 HE2 LYS A 10 -12.182 -10.962 -0.057 1.00 73.02 H new ATOM 0 HE3 LYS A 10 -11.589 -11.347 -1.660 1.00 73.02 H new ATOM 0 HZ1 LYS A 10 -10.404 -12.584 0.033 1.00 73.00 H new ATOM 0 HZ2 LYS A 10 -9.342 -11.521 -0.757 1.00 73.00 H new ATOM 0 HZ3 LYS A 10 -9.916 -11.148 0.796 1.00 73.00 H new ATOM 210 N VAL A 11 -12.020 -5.358 -3.280 1.00 13.04 N ATOM 211 CA VAL A 11 -13.331 -4.735 -3.138 1.00 21.10 C ATOM 212 C VAL A 11 -14.016 -4.583 -4.491 1.00 72.03 C ATOM 213 O VAL A 11 -15.237 -4.694 -4.597 1.00 1.44 O ATOM 214 CB VAL A 11 -13.225 -3.351 -2.470 1.00 34.31 C ATOM 215 CG1 VAL A 11 -14.597 -2.703 -2.365 1.00 53.21 C ATOM 216 CG2 VAL A 11 -12.577 -3.470 -1.099 1.00 64.01 C ATOM 0 H VAL A 11 -11.244 -4.792 -2.936 1.00 13.04 H new ATOM 0 HA VAL A 11 -13.927 -5.392 -2.504 1.00 21.10 H new ATOM 0 HB VAL A 11 -12.595 -2.714 -3.091 1.00 34.31 H new ATOM 0 HG11 VAL A 11 -14.503 -1.726 -1.891 1.00 53.21 H new ATOM 0 HG12 VAL A 11 -15.020 -2.583 -3.362 1.00 53.21 H new ATOM 0 HG13 VAL A 11 -15.253 -3.335 -1.767 1.00 53.21 H new ATOM 0 HG21 VAL A 11 -12.510 -2.483 -0.641 1.00 64.01 H new ATOM 0 HG22 VAL A 11 -13.179 -4.123 -0.467 1.00 64.01 H new ATOM 0 HG23 VAL A 11 -11.577 -3.890 -1.205 1.00 64.01 H new ATOM 226 N GLY A 12 -13.221 -4.329 -5.526 1.00 40.22 N ATOM 227 CA GLY A 12 -13.769 -4.166 -6.860 1.00 43.02 C ATOM 228 C GLY A 12 -14.521 -5.394 -7.332 1.00 34.32 C ATOM 229 O GLY A 12 -15.648 -5.292 -7.818 1.00 43.41 O ATOM 0 H GLY A 12 -12.207 -4.233 -5.464 1.00 40.22 H new ATOM 0 HA2 GLY A 12 -14.439 -3.307 -6.871 1.00 43.02 H new ATOM 0 HA3 GLY A 12 -12.960 -3.949 -7.558 1.00 43.02 H new ATOM 233 N ARG A 13 -13.898 -6.559 -7.190 1.00 22.32 N ATOM 234 CA ARG A 13 -14.515 -7.812 -7.608 1.00 20.22 C ATOM 235 C ARG A 13 -15.513 -8.302 -6.562 1.00 63.14 C ATOM 236 O ARG A 13 -16.537 -8.895 -6.898 1.00 11.02 O ATOM 237 CB ARG A 13 -13.444 -8.879 -7.845 1.00 51.55 C ATOM 238 CG ARG A 13 -12.706 -9.293 -6.583 1.00 15.12 C ATOM 239 CD ARG A 13 -11.593 -10.283 -6.888 1.00 12.04 C ATOM 240 NE ARG A 13 -11.239 -11.085 -5.719 1.00 42.35 N ATOM 241 CZ ARG A 13 -11.944 -12.132 -5.306 1.00 5.14 C ATOM 242 NH1 ARG A 13 -13.035 -12.502 -5.962 1.00 25.13 N ATOM 243 NH2 ARG A 13 -11.557 -12.811 -4.234 1.00 21.55 N ATOM 0 H ARG A 13 -12.966 -6.661 -6.788 1.00 22.32 H new ATOM 0 HA ARG A 13 -15.050 -7.631 -8.540 1.00 20.22 H new ATOM 0 HB2 ARG A 13 -13.912 -9.759 -8.287 1.00 51.55 H new ATOM 0 HB3 ARG A 13 -12.723 -8.503 -8.570 1.00 51.55 H new ATOM 0 HG2 ARG A 13 -12.287 -8.411 -6.099 1.00 15.12 H new ATOM 0 HG3 ARG A 13 -13.409 -9.739 -5.879 1.00 15.12 H new ATOM 0 HD2 ARG A 13 -11.905 -10.942 -7.698 1.00 12.04 H new ATOM 0 HD3 ARG A 13 -10.713 -9.743 -7.237 1.00 12.04 H new ATOM 0 HE ARG A 13 -10.405 -10.827 -5.191 1.00 42.35 H new ATOM 0 HH11 ARG A 13 -13.335 -11.982 -6.787 1.00 25.13 H new ATOM 0 HH12 ARG A 13 -13.574 -13.307 -5.642 1.00 25.13 H new ATOM 0 HH21 ARG A 13 -10.718 -12.529 -3.727 1.00 21.55 H new ATOM 0 HH22 ARG A 13 -12.098 -13.615 -3.917 1.00 21.55 H new ATOM 257 N ASN A 14 -15.205 -8.050 -5.294 1.00 62.22 N ATOM 258 CA ASN A 14 -16.074 -8.467 -4.200 1.00 2.55 C ATOM 259 C ASN A 14 -17.481 -7.906 -4.379 1.00 13.33 C ATOM 260 O ASN A 14 -18.445 -8.656 -4.536 1.00 42.31 O ATOM 261 CB ASN A 14 -15.496 -8.007 -2.859 1.00 54.13 C ATOM 262 CG ASN A 14 -16.498 -8.125 -1.727 1.00 54.41 C ATOM 263 OD1 ASN A 14 -16.933 -9.223 -1.380 1.00 1.25 O ATOM 264 ND2 ASN A 14 -16.870 -6.990 -1.146 1.00 54.11 N ATOM 0 H ASN A 14 -14.361 -7.559 -4.999 1.00 62.22 H new ATOM 0 HA ASN A 14 -16.132 -9.555 -4.209 1.00 2.55 H new ATOM 0 HB2 ASN A 14 -14.614 -8.602 -2.623 1.00 54.13 H new ATOM 0 HB3 ASN A 14 -15.168 -6.971 -2.944 1.00 54.13 H new ATOM 0 HD21 ASN A 14 -17.542 -7.006 -0.379 1.00 54.11 H new ATOM 0 HD22 ASN A 14 -16.483 -6.102 -1.467 1.00 54.11 H new ATOM 271 N VAL A 15 -17.592 -6.581 -4.354 1.00 72.33 N ATOM 272 CA VAL A 15 -18.881 -5.919 -4.516 1.00 11.13 C ATOM 273 C VAL A 15 -19.606 -6.422 -5.759 1.00 23.30 C ATOM 274 O VAL A 15 -20.738 -6.899 -5.680 1.00 11.33 O ATOM 275 CB VAL A 15 -18.718 -4.390 -4.613 1.00 73.44 C ATOM 276 CG1 VAL A 15 -20.078 -3.710 -4.655 1.00 31.03 C ATOM 277 CG2 VAL A 15 -17.887 -3.868 -3.451 1.00 63.35 C ATOM 0 H VAL A 15 -16.805 -5.946 -4.223 1.00 72.33 H new ATOM 0 HA VAL A 15 -19.473 -6.159 -3.633 1.00 11.13 H new ATOM 0 HB VAL A 15 -18.193 -4.156 -5.539 1.00 73.44 H new ATOM 0 HG11 VAL A 15 -19.943 -2.631 -4.723 1.00 31.03 H new ATOM 0 HG12 VAL A 15 -20.634 -4.062 -5.524 1.00 31.03 H new ATOM 0 HG13 VAL A 15 -20.633 -3.949 -3.748 1.00 31.03 H new ATOM 0 HG21 VAL A 15 -17.782 -2.786 -3.536 1.00 63.35 H new ATOM 0 HG22 VAL A 15 -18.382 -4.112 -2.511 1.00 63.35 H new ATOM 0 HG23 VAL A 15 -16.900 -4.331 -3.472 1.00 63.35 H new ATOM 287 N ARG A 16 -18.945 -6.314 -6.907 1.00 2.11 N ATOM 288 CA ARG A 16 -19.526 -6.758 -8.168 1.00 52.41 C ATOM 289 C ARG A 16 -20.034 -8.192 -8.058 1.00 21.42 C ATOM 290 O ARG A 16 -21.218 -8.460 -8.264 1.00 22.11 O ATOM 291 CB ARG A 16 -18.495 -6.655 -9.294 1.00 32.35 C ATOM 292 CG ARG A 16 -18.588 -5.363 -10.089 1.00 22.32 C ATOM 293 CD ARG A 16 -17.682 -5.395 -11.310 1.00 53.31 C ATOM 294 NE ARG A 16 -18.402 -5.055 -12.534 1.00 55.42 N ATOM 295 CZ ARG A 16 -17.802 -4.714 -13.669 1.00 54.42 C ATOM 296 NH1 ARG A 16 -16.479 -4.668 -13.736 1.00 30.14 N ATOM 297 NH2 ARG A 16 -18.527 -4.418 -14.741 1.00 45.31 N ATOM 0 H ARG A 16 -18.007 -5.923 -6.990 1.00 2.11 H new ATOM 0 HA ARG A 16 -20.371 -6.109 -8.398 1.00 52.41 H new ATOM 0 HB2 ARG A 16 -17.495 -6.738 -8.868 1.00 32.35 H new ATOM 0 HB3 ARG A 16 -18.624 -7.499 -9.972 1.00 32.35 H new ATOM 0 HG2 ARG A 16 -19.619 -5.201 -10.404 1.00 22.32 H new ATOM 0 HG3 ARG A 16 -18.313 -4.522 -9.452 1.00 22.32 H new ATOM 0 HD2 ARG A 16 -16.858 -4.696 -11.168 1.00 53.31 H new ATOM 0 HD3 ARG A 16 -17.244 -6.388 -11.411 1.00 53.31 H new ATOM 0 HE ARG A 16 -19.422 -5.081 -12.517 1.00 55.42 H new ATOM 0 HH11 ARG A 16 -15.919 -4.895 -12.915 1.00 30.14 H new ATOM 0 HH12 ARG A 16 -16.021 -4.406 -14.609 1.00 30.14 H new ATOM 0 HH21 ARG A 16 -19.545 -4.452 -14.693 1.00 45.31 H new ATOM 0 HH22 ARG A 16 -18.066 -4.156 -15.612 1.00 45.31 H new ATOM 311 N ASP A 17 -19.131 -9.110 -7.732 1.00 63.52 N ATOM 312 CA ASP A 17 -19.487 -10.518 -7.594 1.00 3.11 C ATOM 313 C ASP A 17 -20.660 -10.690 -6.634 1.00 4.01 C ATOM 314 O ASP A 17 -21.562 -11.490 -6.878 1.00 12.45 O ATOM 315 CB ASP A 17 -18.284 -11.324 -7.100 1.00 14.25 C ATOM 316 CG ASP A 17 -18.648 -12.756 -6.760 1.00 64.11 C ATOM 317 OD1 ASP A 17 -19.173 -13.461 -7.647 1.00 32.42 O ATOM 318 OD2 ASP A 17 -18.406 -13.172 -5.608 1.00 5.11 O ATOM 0 H ASP A 17 -18.147 -8.905 -7.558 1.00 63.52 H new ATOM 0 HA ASP A 17 -19.786 -10.890 -8.574 1.00 3.11 H new ATOM 0 HB2 ASP A 17 -17.509 -11.321 -7.866 1.00 14.25 H new ATOM 0 HB3 ASP A 17 -17.863 -10.840 -6.219 1.00 14.25 H new ATOM 323 N GLY A 18 -20.639 -9.934 -5.540 1.00 62.02 N ATOM 324 CA GLY A 18 -21.705 -10.019 -4.559 1.00 41.23 C ATOM 325 C GLY A 18 -23.034 -9.535 -5.104 1.00 50.13 C ATOM 326 O GLY A 18 -24.071 -10.155 -4.869 1.00 75.23 O ATOM 0 H GLY A 18 -19.903 -9.264 -5.316 1.00 62.02 H new ATOM 0 HA2 GLY A 18 -21.807 -11.052 -4.226 1.00 41.23 H new ATOM 0 HA3 GLY A 18 -21.437 -9.427 -3.684 1.00 41.23 H new ATOM 330 N ILE A 19 -23.004 -8.424 -5.832 1.00 42.15 N ATOM 331 CA ILE A 19 -24.216 -7.857 -6.411 1.00 63.43 C ATOM 332 C ILE A 19 -24.737 -8.725 -7.552 1.00 54.41 C ATOM 333 O ILE A 19 -25.947 -8.864 -7.736 1.00 1.01 O ATOM 334 CB ILE A 19 -23.975 -6.429 -6.936 1.00 22.53 C ATOM 335 CG1 ILE A 19 -23.497 -5.520 -5.802 1.00 22.23 C ATOM 336 CG2 ILE A 19 -25.244 -5.876 -7.567 1.00 3.13 C ATOM 337 CD1 ILE A 19 -22.772 -4.283 -6.284 1.00 25.41 C ATOM 0 H ILE A 19 -22.154 -7.898 -6.035 1.00 42.15 H new ATOM 0 HA ILE A 19 -24.960 -7.821 -5.615 1.00 63.43 H new ATOM 0 HB ILE A 19 -23.198 -6.464 -7.700 1.00 22.53 H new ATOM 0 HG12 ILE A 19 -24.356 -5.218 -5.203 1.00 22.23 H new ATOM 0 HG13 ILE A 19 -22.835 -6.087 -5.147 1.00 22.23 H new ATOM 0 HG21 ILE A 19 -25.058 -4.866 -7.933 1.00 3.13 H new ATOM 0 HG22 ILE A 19 -25.545 -6.514 -8.398 1.00 3.13 H new ATOM 0 HG23 ILE A 19 -26.040 -5.851 -6.822 1.00 3.13 H new ATOM 0 HD11 ILE A 19 -22.462 -3.686 -5.427 1.00 25.41 H new ATOM 0 HD12 ILE A 19 -21.893 -4.577 -6.858 1.00 25.41 H new ATOM 0 HD13 ILE A 19 -23.437 -3.694 -6.915 1.00 25.41 H new ATOM 349 N ILE A 20 -23.817 -9.306 -8.314 1.00 34.40 N ATOM 350 CA ILE A 20 -24.185 -10.163 -9.435 1.00 3.41 C ATOM 351 C ILE A 20 -24.693 -11.516 -8.950 1.00 23.05 C ATOM 352 O ILE A 20 -25.793 -11.942 -9.303 1.00 25.14 O ATOM 353 CB ILE A 20 -22.995 -10.385 -10.387 1.00 42.01 C ATOM 354 CG1 ILE A 20 -22.491 -9.046 -10.931 1.00 34.33 C ATOM 355 CG2 ILE A 20 -23.394 -11.309 -11.527 1.00 75.44 C ATOM 356 CD1 ILE A 20 -21.069 -9.099 -11.444 1.00 55.30 C ATOM 0 H ILE A 20 -22.812 -9.199 -8.176 1.00 34.40 H new ATOM 0 HA ILE A 20 -24.982 -9.652 -9.975 1.00 3.41 H new ATOM 0 HB ILE A 20 -22.186 -10.856 -9.829 1.00 42.01 H new ATOM 0 HG12 ILE A 20 -23.148 -8.720 -11.738 1.00 34.33 H new ATOM 0 HG13 ILE A 20 -22.557 -8.295 -10.144 1.00 34.33 H new ATOM 0 HG21 ILE A 20 -22.542 -11.456 -12.191 1.00 75.44 H new ATOM 0 HG22 ILE A 20 -23.709 -12.271 -11.122 1.00 75.44 H new ATOM 0 HG23 ILE A 20 -24.217 -10.863 -12.086 1.00 75.44 H new ATOM 0 HD11 ILE A 20 -20.779 -8.116 -11.814 1.00 55.30 H new ATOM 0 HD12 ILE A 20 -20.401 -9.394 -10.635 1.00 55.30 H new ATOM 0 HD13 ILE A 20 -21.001 -9.826 -12.254 1.00 55.30 H new ATOM 368 N LYS A 21 -23.885 -12.188 -8.136 1.00 10.31 N ATOM 369 CA LYS A 21 -24.252 -13.492 -7.598 1.00 34.21 C ATOM 370 C LYS A 21 -25.611 -13.433 -6.907 1.00 53.15 C ATOM 371 O LYS A 21 -26.605 -13.939 -7.428 1.00 1.11 O ATOM 372 CB LYS A 21 -23.188 -13.978 -6.611 1.00 70.04 C ATOM 373 CG LYS A 21 -23.542 -15.289 -5.932 1.00 32.25 C ATOM 374 CD LYS A 21 -23.565 -15.145 -4.419 1.00 50.31 C ATOM 375 CE LYS A 21 -24.233 -16.339 -3.755 1.00 65.31 C ATOM 376 NZ LYS A 21 -25.673 -16.443 -4.118 1.00 40.43 N ATOM 0 H LYS A 21 -22.971 -11.850 -7.835 1.00 10.31 H new ATOM 0 HA LYS A 21 -24.316 -14.194 -8.429 1.00 34.21 H new ATOM 0 HB2 LYS A 21 -22.242 -14.096 -7.139 1.00 70.04 H new ATOM 0 HB3 LYS A 21 -23.035 -13.214 -5.849 1.00 70.04 H new ATOM 0 HG2 LYS A 21 -24.517 -15.629 -6.281 1.00 32.25 H new ATOM 0 HG3 LYS A 21 -22.818 -16.053 -6.215 1.00 32.25 H new ATOM 0 HD2 LYS A 21 -22.546 -15.044 -4.047 1.00 50.31 H new ATOM 0 HD3 LYS A 21 -24.096 -14.232 -4.147 1.00 50.31 H new ATOM 0 HE2 LYS A 21 -23.718 -17.253 -4.049 1.00 65.31 H new ATOM 0 HE3 LYS A 21 -24.137 -16.253 -2.673 1.00 65.31 H new ATOM 0 HZ1 LYS A 21 -26.221 -16.738 -3.285 1.00 40.43 H new ATOM 0 HZ2 LYS A 21 -26.016 -15.518 -4.447 1.00 40.43 H new ATOM 0 HZ3 LYS A 21 -25.790 -17.145 -4.876 1.00 40.43 H new ATOM 390 N ALA A 22 -25.647 -12.810 -5.734 1.00 21.53 N ATOM 391 CA ALA A 22 -26.884 -12.682 -4.974 1.00 75.24 C ATOM 392 C ALA A 22 -27.601 -11.378 -5.308 1.00 43.03 C ATOM 393 O ALA A 22 -28.604 -11.374 -6.020 1.00 32.10 O ATOM 394 CB ALA A 22 -26.599 -12.763 -3.482 1.00 42.31 C ATOM 0 H ALA A 22 -24.833 -12.386 -5.289 1.00 21.53 H new ATOM 0 HA ALA A 22 -27.539 -13.508 -5.252 1.00 75.24 H new ATOM 0 HB1 ALA A 22 -27.532 -12.666 -2.927 1.00 42.31 H new ATOM 0 HB2 ALA A 22 -26.138 -13.723 -3.251 1.00 42.31 H new ATOM 0 HB3 ALA A 22 -25.922 -11.958 -3.197 1.00 42.31 H new ATOM 400 N GLY A 23 -27.078 -10.271 -4.789 1.00 32.25 N ATOM 401 CA GLY A 23 -27.682 -8.976 -5.042 1.00 44.03 C ATOM 402 C GLY A 23 -27.036 -7.867 -4.235 1.00 32.54 C ATOM 403 O GLY A 23 -26.020 -8.066 -3.569 1.00 22.31 O ATOM 0 H GLY A 23 -26.247 -10.248 -4.198 1.00 32.25 H new ATOM 0 HA2 GLY A 23 -27.602 -8.742 -6.104 1.00 44.03 H new ATOM 0 HA3 GLY A 23 -28.745 -9.022 -4.805 1.00 44.03 H new ATOM 407 N PRO A 24 -27.632 -6.667 -4.289 1.00 3.22 N ATOM 408 CA PRO A 24 -27.125 -5.498 -3.563 1.00 63.34 C ATOM 409 C PRO A 24 -27.306 -5.629 -2.055 1.00 3.01 C ATOM 410 O PRO A 24 -26.556 -5.040 -1.277 1.00 62.10 O ATOM 411 CB PRO A 24 -27.975 -4.347 -4.106 1.00 72.22 C ATOM 412 CG PRO A 24 -29.236 -4.993 -4.567 1.00 15.42 C ATOM 413 CD PRO A 24 -28.846 -6.358 -5.062 1.00 52.31 C ATOM 0 HA PRO A 24 -26.054 -5.360 -3.709 1.00 63.34 H new ATOM 0 HB2 PRO A 24 -28.171 -3.601 -3.335 1.00 72.22 H new ATOM 0 HB3 PRO A 24 -27.470 -3.834 -4.925 1.00 72.22 H new ATOM 0 HG2 PRO A 24 -29.958 -5.065 -3.753 1.00 15.42 H new ATOM 0 HG3 PRO A 24 -29.706 -4.410 -5.359 1.00 15.42 H new ATOM 0 HD2 PRO A 24 -29.633 -7.090 -4.883 1.00 52.31 H new ATOM 0 HD3 PRO A 24 -28.650 -6.356 -6.134 1.00 52.31 H new ATOM 421 N ALA A 25 -28.305 -6.405 -1.649 1.00 13.24 N ATOM 422 CA ALA A 25 -28.583 -6.615 -0.233 1.00 42.41 C ATOM 423 C ALA A 25 -27.328 -7.055 0.513 1.00 42.01 C ATOM 424 O ALA A 25 -27.112 -6.674 1.664 1.00 63.54 O ATOM 425 CB ALA A 25 -29.691 -7.643 -0.059 1.00 43.22 C ATOM 0 H ALA A 25 -28.936 -6.899 -2.280 1.00 13.24 H new ATOM 0 HA ALA A 25 -28.913 -5.667 0.192 1.00 42.41 H new ATOM 0 HB1 ALA A 25 -29.888 -7.790 1.003 1.00 43.22 H new ATOM 0 HB2 ALA A 25 -30.597 -7.288 -0.550 1.00 43.22 H new ATOM 0 HB3 ALA A 25 -29.383 -8.589 -0.505 1.00 43.22 H new ATOM 431 N VAL A 26 -26.503 -7.860 -0.149 1.00 50.04 N ATOM 432 CA VAL A 26 -25.269 -8.352 0.451 1.00 21.11 C ATOM 433 C VAL A 26 -24.420 -7.203 0.983 1.00 12.20 C ATOM 434 O VAL A 26 -23.996 -7.214 2.138 1.00 10.22 O ATOM 435 CB VAL A 26 -24.438 -9.164 -0.560 1.00 21.43 C ATOM 436 CG1 VAL A 26 -23.161 -9.677 0.088 1.00 4.42 C ATOM 437 CG2 VAL A 26 -25.259 -10.315 -1.121 1.00 71.22 C ATOM 0 H VAL A 26 -26.667 -8.185 -1.102 1.00 50.04 H new ATOM 0 HA VAL A 26 -25.557 -9.001 1.278 1.00 21.11 H new ATOM 0 HB VAL A 26 -24.161 -8.508 -1.385 1.00 21.43 H new ATOM 0 HG11 VAL A 26 -22.587 -10.248 -0.641 1.00 4.42 H new ATOM 0 HG12 VAL A 26 -22.566 -8.833 0.438 1.00 4.42 H new ATOM 0 HG13 VAL A 26 -23.414 -10.318 0.933 1.00 4.42 H new ATOM 0 HG21 VAL A 26 -24.657 -10.878 -1.834 1.00 71.22 H new ATOM 0 HG22 VAL A 26 -25.568 -10.972 -0.308 1.00 71.22 H new ATOM 0 HG23 VAL A 26 -26.142 -9.921 -1.624 1.00 71.22 H new ATOM 447 N ALA A 27 -24.177 -6.211 0.132 1.00 24.32 N ATOM 448 CA ALA A 27 -23.381 -5.053 0.517 1.00 5.52 C ATOM 449 C ALA A 27 -24.106 -4.210 1.561 1.00 73.03 C ATOM 450 O ALA A 27 -23.525 -3.822 2.574 1.00 44.11 O ATOM 451 CB ALA A 27 -23.048 -4.211 -0.706 1.00 14.53 C ATOM 0 H ALA A 27 -24.520 -6.187 -0.828 1.00 24.32 H new ATOM 0 HA ALA A 27 -22.453 -5.413 0.960 1.00 5.52 H new ATOM 0 HB1 ALA A 27 -22.453 -3.349 -0.403 1.00 14.53 H new ATOM 0 HB2 ALA A 27 -22.481 -4.811 -1.418 1.00 14.53 H new ATOM 0 HB3 ALA A 27 -23.971 -3.868 -1.174 1.00 14.53 H new ATOM 457 N VAL A 28 -25.381 -3.930 1.306 1.00 5.42 N ATOM 458 CA VAL A 28 -26.186 -3.133 2.224 1.00 31.10 C ATOM 459 C VAL A 28 -26.173 -3.730 3.627 1.00 73.44 C ATOM 460 O VAL A 28 -26.068 -3.010 4.619 1.00 5.21 O ATOM 461 CB VAL A 28 -27.644 -3.021 1.739 1.00 44.21 C ATOM 462 CG1 VAL A 28 -28.454 -2.142 2.680 1.00 24.31 C ATOM 463 CG2 VAL A 28 -27.692 -2.480 0.318 1.00 44.11 C ATOM 0 H VAL A 28 -25.878 -4.243 0.472 1.00 5.42 H new ATOM 0 HA VAL A 28 -25.742 -2.138 2.252 1.00 31.10 H new ATOM 0 HB VAL A 28 -28.087 -4.017 1.740 1.00 44.21 H new ATOM 0 HG11 VAL A 28 -29.481 -2.075 2.321 1.00 24.31 H new ATOM 0 HG12 VAL A 28 -28.447 -2.576 3.680 1.00 24.31 H new ATOM 0 HG13 VAL A 28 -28.015 -1.145 2.714 1.00 24.31 H new ATOM 0 HG21 VAL A 28 -28.729 -2.407 -0.009 1.00 44.11 H new ATOM 0 HG22 VAL A 28 -27.232 -1.492 0.289 1.00 44.11 H new ATOM 0 HG23 VAL A 28 -27.149 -3.152 -0.346 1.00 44.11 H new ATOM 473 N VAL A 29 -26.282 -5.053 3.702 1.00 65.24 N ATOM 474 CA VAL A 29 -26.281 -5.749 4.983 1.00 42.11 C ATOM 475 C VAL A 29 -24.869 -5.857 5.549 1.00 54.40 C ATOM 476 O VAL A 29 -24.618 -5.483 6.694 1.00 73.20 O ATOM 477 CB VAL A 29 -26.880 -7.162 4.855 1.00 61.04 C ATOM 478 CG1 VAL A 29 -26.844 -7.881 6.194 1.00 21.24 C ATOM 479 CG2 VAL A 29 -28.301 -7.091 4.316 1.00 10.14 C ATOM 0 H VAL A 29 -26.372 -5.664 2.890 1.00 65.24 H new ATOM 0 HA VAL A 29 -26.898 -5.161 5.663 1.00 42.11 H new ATOM 0 HB VAL A 29 -26.276 -7.731 4.149 1.00 61.04 H new ATOM 0 HG11 VAL A 29 -27.271 -8.878 6.083 1.00 21.24 H new ATOM 0 HG12 VAL A 29 -25.812 -7.965 6.534 1.00 21.24 H new ATOM 0 HG13 VAL A 29 -27.423 -7.317 6.925 1.00 21.24 H new ATOM 0 HG21 VAL A 29 -28.709 -8.098 4.232 1.00 10.14 H new ATOM 0 HG22 VAL A 29 -28.919 -6.505 4.996 1.00 10.14 H new ATOM 0 HG23 VAL A 29 -28.294 -6.619 3.333 1.00 10.14 H new ATOM 489 N GLY A 30 -23.950 -6.370 4.738 1.00 64.05 N ATOM 490 CA GLY A 30 -22.574 -6.518 5.175 1.00 42.41 C ATOM 491 C GLY A 30 -21.984 -5.217 5.682 1.00 1.40 C ATOM 492 O GLY A 30 -21.441 -5.163 6.785 1.00 65.11 O ATOM 0 H GLY A 30 -24.133 -6.686 3.786 1.00 64.05 H new ATOM 0 HA2 GLY A 30 -22.525 -7.268 5.965 1.00 42.41 H new ATOM 0 HA3 GLY A 30 -21.971 -6.889 4.346 1.00 42.41 H new ATOM 496 N GLN A 31 -22.090 -4.166 4.875 1.00 64.25 N ATOM 497 CA GLN A 31 -21.560 -2.860 5.248 1.00 63.14 C ATOM 498 C GLN A 31 -22.104 -2.418 6.602 1.00 30.41 C ATOM 499 O GLN A 31 -21.351 -2.258 7.562 1.00 31.42 O ATOM 500 CB GLN A 31 -21.909 -1.821 4.181 1.00 42.12 C ATOM 501 CG GLN A 31 -21.252 -0.469 4.410 1.00 21.31 C ATOM 502 CD GLN A 31 -19.875 -0.376 3.784 1.00 64.15 C ATOM 503 OE1 GLN A 31 -18.861 -0.380 4.482 1.00 24.11 O ATOM 504 NE2 GLN A 31 -19.831 -0.292 2.459 1.00 0.40 N ATOM 0 H GLN A 31 -22.538 -4.194 3.959 1.00 64.25 H new ATOM 0 HA GLN A 31 -20.476 -2.944 5.323 1.00 63.14 H new ATOM 0 HB2 GLN A 31 -21.609 -2.201 3.204 1.00 42.12 H new ATOM 0 HB3 GLN A 31 -22.991 -1.690 4.153 1.00 42.12 H new ATOM 0 HG2 GLN A 31 -21.888 0.314 3.998 1.00 21.31 H new ATOM 0 HG3 GLN A 31 -21.173 -0.284 5.481 1.00 21.31 H new ATOM 0 HE21 GLN A 31 -20.696 -0.292 1.919 1.00 0.40 H new ATOM 0 HE22 GLN A 31 -18.932 -0.227 1.982 1.00 0.40 H new ATOM 513 N ALA A 32 -23.417 -2.223 6.671 1.00 3.44 N ATOM 514 CA ALA A 32 -24.062 -1.801 7.909 1.00 41.05 C ATOM 515 C ALA A 32 -23.677 -2.715 9.067 1.00 15.22 C ATOM 516 O ALA A 32 -23.235 -2.249 10.117 1.00 62.12 O ATOM 517 CB ALA A 32 -25.573 -1.775 7.733 1.00 11.23 C ATOM 0 H ALA A 32 -24.054 -2.350 5.885 1.00 3.44 H new ATOM 0 HA ALA A 32 -23.717 -0.794 8.146 1.00 41.05 H new ATOM 0 HB1 ALA A 32 -26.042 -1.458 8.664 1.00 11.23 H new ATOM 0 HB2 ALA A 32 -25.835 -1.076 6.939 1.00 11.23 H new ATOM 0 HB3 ALA A 32 -25.926 -2.772 7.470 1.00 11.23 H new ATOM 523 N ALA A 33 -23.850 -4.018 8.870 1.00 53.42 N ATOM 524 CA ALA A 33 -23.520 -4.997 9.898 1.00 12.50 C ATOM 525 C ALA A 33 -22.089 -4.812 10.392 1.00 35.04 C ATOM 526 O ALA A 33 -21.832 -4.816 11.597 1.00 42.43 O ATOM 527 CB ALA A 33 -23.719 -6.408 9.366 1.00 21.11 C ATOM 0 H ALA A 33 -24.217 -4.420 8.007 1.00 53.42 H new ATOM 0 HA ALA A 33 -24.191 -4.841 10.743 1.00 12.50 H new ATOM 0 HB1 ALA A 33 -23.469 -7.129 10.144 1.00 21.11 H new ATOM 0 HB2 ALA A 33 -24.759 -6.541 9.069 1.00 21.11 H new ATOM 0 HB3 ALA A 33 -23.072 -6.566 8.503 1.00 21.11 H new ATOM 533 N THR A 34 -21.160 -4.651 9.455 1.00 33.52 N ATOM 534 CA THR A 34 -19.755 -4.468 9.796 1.00 52.54 C ATOM 535 C THR A 34 -19.532 -3.139 10.510 1.00 63.52 C ATOM 536 O THR A 34 -18.757 -3.058 11.463 1.00 65.23 O ATOM 537 CB THR A 34 -18.862 -4.520 8.542 1.00 41.22 C ATOM 538 OG1 THR A 34 -19.010 -5.785 7.887 1.00 1.22 O ATOM 539 CG2 THR A 34 -17.402 -4.300 8.908 1.00 21.30 C ATOM 0 H THR A 34 -21.356 -4.644 8.454 1.00 33.52 H new ATOM 0 HA THR A 34 -19.481 -5.286 10.462 1.00 52.54 H new ATOM 0 HB THR A 34 -19.175 -3.723 7.867 1.00 41.22 H new ATOM 0 HG1 THR A 34 -19.859 -5.803 7.398 1.00 1.22 H new ATOM 0 HG21 THR A 34 -16.791 -4.341 8.006 1.00 21.30 H new ATOM 0 HG22 THR A 34 -17.288 -3.324 9.379 1.00 21.30 H new ATOM 0 HG23 THR A 34 -17.079 -5.077 9.601 1.00 21.30 H new ATOM 547 N VAL A 35 -20.216 -2.100 10.044 1.00 54.31 N ATOM 548 CA VAL A 35 -20.094 -0.775 10.640 1.00 42.43 C ATOM 549 C VAL A 35 -20.642 -0.759 12.062 1.00 24.14 C ATOM 550 O VAL A 35 -20.075 -0.122 12.951 1.00 62.35 O ATOM 551 CB VAL A 35 -20.834 0.287 9.805 1.00 71.14 C ATOM 552 CG1 VAL A 35 -20.718 1.656 10.457 1.00 34.03 C ATOM 553 CG2 VAL A 35 -20.294 0.318 8.383 1.00 62.41 C ATOM 0 H VAL A 35 -20.861 -2.150 9.255 1.00 54.31 H new ATOM 0 HA VAL A 35 -19.031 -0.535 10.660 1.00 42.43 H new ATOM 0 HB VAL A 35 -21.890 0.019 9.763 1.00 71.14 H new ATOM 0 HG11 VAL A 35 -21.247 2.393 9.853 1.00 34.03 H new ATOM 0 HG12 VAL A 35 -21.157 1.622 11.454 1.00 34.03 H new ATOM 0 HG13 VAL A 35 -19.667 1.935 10.532 1.00 34.03 H new ATOM 0 HG21 VAL A 35 -20.828 1.074 7.807 1.00 62.41 H new ATOM 0 HG22 VAL A 35 -19.231 0.560 8.402 1.00 62.41 H new ATOM 0 HG23 VAL A 35 -20.435 -0.658 7.919 1.00 62.41 H new ATOM 563 N VAL A 36 -21.748 -1.465 12.272 1.00 32.03 N ATOM 564 CA VAL A 36 -22.373 -1.534 13.588 1.00 62.20 C ATOM 565 C VAL A 36 -21.606 -2.474 14.511 1.00 33.35 C ATOM 566 O VAL A 36 -21.371 -2.161 15.679 1.00 45.25 O ATOM 567 CB VAL A 36 -23.835 -2.007 13.491 1.00 73.42 C ATOM 568 CG1 VAL A 36 -24.485 -2.022 14.866 1.00 4.02 C ATOM 569 CG2 VAL A 36 -24.618 -1.123 12.532 1.00 73.41 C ATOM 0 H VAL A 36 -22.230 -1.998 11.548 1.00 32.03 H new ATOM 0 HA VAL A 36 -22.352 -0.526 14.002 1.00 62.20 H new ATOM 0 HB VAL A 36 -23.844 -3.025 13.101 1.00 73.42 H new ATOM 0 HG11 VAL A 36 -25.518 -2.359 14.777 1.00 4.02 H new ATOM 0 HG12 VAL A 36 -23.937 -2.700 15.520 1.00 4.02 H new ATOM 0 HG13 VAL A 36 -24.466 -1.017 15.288 1.00 4.02 H new ATOM 0 HG21 VAL A 36 -25.649 -1.472 12.475 1.00 73.41 H new ATOM 0 HG22 VAL A 36 -24.602 -0.094 12.891 1.00 73.41 H new ATOM 0 HG23 VAL A 36 -24.165 -1.169 11.542 1.00 73.41 H new ATOM 579 N LYS A 37 -21.218 -3.629 13.981 1.00 35.34 N ATOM 580 CA LYS A 37 -20.476 -4.616 14.756 1.00 32.43 C ATOM 581 C LYS A 37 -19.112 -4.072 15.167 1.00 43.13 C ATOM 582 O LYS A 37 -18.850 -3.854 16.350 1.00 41.21 O ATOM 583 CB LYS A 37 -20.301 -5.904 13.947 1.00 11.52 C ATOM 584 CG LYS A 37 -21.517 -6.814 13.982 1.00 45.21 C ATOM 585 CD LYS A 37 -21.564 -7.728 12.769 1.00 44.31 C ATOM 586 CE LYS A 37 -21.894 -9.159 13.162 1.00 24.41 C ATOM 587 NZ LYS A 37 -22.048 -10.040 11.971 1.00 30.23 N ATOM 0 H LYS A 37 -21.405 -3.905 13.017 1.00 35.34 H new ATOM 0 HA LYS A 37 -21.047 -4.836 15.658 1.00 32.43 H new ATOM 0 HB2 LYS A 37 -20.081 -5.646 12.911 1.00 11.52 H new ATOM 0 HB3 LYS A 37 -19.438 -6.449 14.330 1.00 11.52 H new ATOM 0 HG2 LYS A 37 -21.497 -7.415 14.891 1.00 45.21 H new ATOM 0 HG3 LYS A 37 -22.424 -6.210 14.019 1.00 45.21 H new ATOM 0 HD2 LYS A 37 -22.311 -7.362 12.065 1.00 44.31 H new ATOM 0 HD3 LYS A 37 -20.603 -7.703 12.256 1.00 44.31 H new ATOM 0 HE2 LYS A 37 -21.105 -9.551 13.804 1.00 24.41 H new ATOM 0 HE3 LYS A 37 -22.815 -9.172 13.745 1.00 24.41 H new ATOM 0 HZ1 LYS A 37 -22.273 -11.007 12.281 1.00 30.23 H new ATOM 0 HZ2 LYS A 37 -22.818 -9.681 11.371 1.00 30.23 H new ATOM 0 HZ3 LYS A 37 -21.161 -10.048 11.428 1.00 30.23 H new HETATM 601 N NH2 A 38 -18.246 -3.853 14.182 1.00 73.11 N TER 603 NH2 A 38