USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=4 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+ -149:sc= 0 (180deg=-0.00548) USER MOD Single : A 3 LYS NZ :NH3+ -165:sc=-0.00165 (180deg=-0.0844) 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 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0.179 (180deg=0.168) USER MOD Single : A 31 GLN : amide:sc= -0.222 K(o=-0.22,f=-1) USER MOD Single : A 34 THR OG1 : rot -21:sc= 1.07 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 4.405 -1.428 -1.210 1.00 0.10 N ATOM 2 CA ARG A 1 3.392 -0.754 -2.013 1.00 41.22 C ATOM 3 C ARG A 1 2.713 -1.734 -2.965 1.00 54.54 C ATOM 4 O ARG A 1 2.838 -1.617 -4.184 1.00 71.45 O ATOM 5 CB ARG A 1 4.020 0.393 -2.807 1.00 64.02 C ATOM 6 CG ARG A 1 4.520 1.534 -1.937 1.00 1.43 C ATOM 7 CD ARG A 1 4.584 2.840 -2.713 1.00 52.41 C ATOM 8 NE ARG A 1 5.940 3.146 -3.160 1.00 3.13 N ATOM 9 CZ ARG A 1 6.883 3.638 -2.363 1.00 53.34 C ATOM 10 NH1 ARG A 1 6.618 3.879 -1.087 1.00 34.22 N ATOM 11 NH2 ARG A 1 8.094 3.890 -2.844 1.00 13.52 N ATOM 0 H1 ARG A 1 4.477 -0.965 -0.282 1.00 0.10 H new ATOM 0 H2 ARG A 1 4.138 -2.425 -1.080 1.00 0.10 H new ATOM 0 H3 ARG A 1 5.324 -1.376 -1.695 1.00 0.10 H new ATOM 0 HA ARG A 1 2.639 -0.349 -1.337 1.00 41.22 H new ATOM 0 HB2 ARG A 1 4.852 0.004 -3.395 1.00 64.02 H new ATOM 0 HB3 ARG A 1 3.285 0.780 -3.512 1.00 64.02 H new ATOM 0 HG2 ARG A 1 3.861 1.653 -1.077 1.00 1.43 H new ATOM 0 HG3 ARG A 1 5.509 1.291 -1.550 1.00 1.43 H new ATOM 0 HD2 ARG A 1 3.922 2.781 -3.577 1.00 52.41 H new ATOM 0 HD3 ARG A 1 4.217 3.653 -2.086 1.00 52.41 H new ATOM 0 HE ARG A 1 6.176 2.973 -4.137 1.00 3.13 H new ATOM 0 HH11 ARG A 1 5.688 3.687 -0.714 1.00 34.22 H new ATOM 0 HH12 ARG A 1 7.344 4.257 -0.478 1.00 34.22 H new ATOM 0 HH21 ARG A 1 8.301 3.706 -3.826 1.00 13.52 H new ATOM 0 HH22 ARG A 1 8.817 4.268 -2.232 1.00 13.52 H new ATOM 25 N TRP A 2 1.994 -2.697 -2.401 1.00 24.25 N ATOM 26 CA TRP A 2 1.295 -3.698 -3.199 1.00 45.44 C ATOM 27 C TRP A 2 0.312 -4.488 -2.343 1.00 53.44 C ATOM 28 O TRP A 2 -0.830 -4.716 -2.743 1.00 15.45 O ATOM 29 CB TRP A 2 2.299 -4.649 -3.855 1.00 15.54 C ATOM 30 CG TRP A 2 1.845 -5.165 -5.187 1.00 12.25 C ATOM 31 CD1 TRP A 2 0.869 -6.092 -5.417 1.00 13.31 C ATOM 32 CD2 TRP A 2 2.351 -4.785 -6.471 1.00 2.34 C ATOM 33 NE1 TRP A 2 0.738 -6.311 -6.767 1.00 53.21 N ATOM 34 CE2 TRP A 2 1.635 -5.520 -7.435 1.00 62.52 C ATOM 35 CE3 TRP A 2 3.338 -3.893 -6.900 1.00 30.23 C ATOM 36 CZ2 TRP A 2 1.877 -5.391 -8.800 1.00 64.32 C ATOM 37 CZ3 TRP A 2 3.577 -3.766 -8.255 1.00 24.32 C ATOM 38 CH2 TRP A 2 2.849 -4.511 -9.192 1.00 63.31 C ATOM 0 H TRP A 2 1.879 -2.806 -1.393 1.00 24.25 H new ATOM 0 HA TRP A 2 0.734 -3.180 -3.977 1.00 45.44 H new ATOM 0 HB2 TRP A 2 3.251 -4.132 -3.979 1.00 15.54 H new ATOM 0 HB3 TRP A 2 2.479 -5.493 -3.189 1.00 15.54 H new ATOM 0 HD1 TRP A 2 0.286 -6.581 -4.651 1.00 13.31 H new ATOM 0 HE1 TRP A 2 0.080 -6.958 -7.201 1.00 53.21 H new ATOM 0 HE3 TRP A 2 3.904 -3.314 -6.185 1.00 30.23 H new ATOM 0 HZ2 TRP A 2 1.318 -5.965 -9.524 1.00 64.32 H new ATOM 0 HZ3 TRP A 2 4.338 -3.081 -8.598 1.00 24.32 H new ATOM 0 HH2 TRP A 2 3.059 -4.388 -10.244 1.00 63.31 H new ATOM 49 N LYS A 3 0.761 -4.903 -1.164 1.00 63.32 N ATOM 50 CA LYS A 3 -0.080 -5.667 -0.250 1.00 42.02 C ATOM 51 C LYS A 3 -1.409 -4.958 -0.013 1.00 53.12 C ATOM 52 O LYS A 3 -2.471 -5.479 -0.356 1.00 21.21 O ATOM 53 CB LYS A 3 0.642 -5.879 1.083 1.00 72.34 C ATOM 54 CG LYS A 3 1.040 -7.323 1.335 1.00 22.13 C ATOM 55 CD LYS A 3 1.617 -7.507 2.729 1.00 41.40 C ATOM 56 CE LYS A 3 0.971 -8.680 3.450 1.00 51.14 C ATOM 57 NZ LYS A 3 -0.455 -8.410 3.781 1.00 14.44 N ATOM 0 H LYS A 3 1.704 -4.723 -0.818 1.00 63.32 H new ATOM 0 HA LYS A 3 -0.282 -6.637 -0.705 1.00 42.02 H new ATOM 0 HB2 LYS A 3 1.535 -5.255 1.106 1.00 72.34 H new ATOM 0 HB3 LYS A 3 -0.003 -5.542 1.894 1.00 72.34 H new ATOM 0 HG2 LYS A 3 0.170 -7.968 1.212 1.00 22.13 H new ATOM 0 HG3 LYS A 3 1.775 -7.634 0.592 1.00 22.13 H new ATOM 0 HD2 LYS A 3 2.693 -7.669 2.660 1.00 41.40 H new ATOM 0 HD3 LYS A 3 1.468 -6.596 3.309 1.00 41.40 H new ATOM 0 HE2 LYS A 3 1.036 -9.571 2.825 1.00 51.14 H new ATOM 0 HE3 LYS A 3 1.523 -8.892 4.366 1.00 51.14 H new ATOM 0 HZ1 LYS A 3 -0.787 -9.105 4.481 1.00 14.44 H new ATOM 0 HZ2 LYS A 3 -0.544 -7.452 4.175 1.00 14.44 H new ATOM 0 HZ3 LYS A 3 -1.032 -8.485 2.919 1.00 14.44 H new ATOM 71 N ILE A 4 -1.343 -3.767 0.573 1.00 34.41 N ATOM 72 CA ILE A 4 -2.542 -2.987 0.853 1.00 51.32 C ATOM 73 C ILE A 4 -3.369 -2.777 -0.411 1.00 70.32 C ATOM 74 O ILE A 4 -4.574 -3.030 -0.427 1.00 10.43 O ATOM 75 CB ILE A 4 -2.192 -1.614 1.457 1.00 62.02 C ATOM 76 CG1 ILE A 4 -1.369 -1.790 2.735 1.00 43.24 C ATOM 77 CG2 ILE A 4 -3.459 -0.822 1.741 1.00 0.43 C ATOM 78 CD1 ILE A 4 -0.026 -1.094 2.689 1.00 15.23 C ATOM 0 H ILE A 4 -0.472 -3.322 0.863 1.00 34.41 H new ATOM 0 HA ILE A 4 -3.126 -3.555 1.577 1.00 51.32 H new ATOM 0 HB ILE A 4 -1.594 -1.058 0.736 1.00 62.02 H new ATOM 0 HG12 ILE A 4 -1.939 -1.406 3.581 1.00 43.24 H new ATOM 0 HG13 ILE A 4 -1.212 -2.854 2.913 1.00 43.24 H new ATOM 0 HG21 ILE A 4 -3.195 0.146 2.168 1.00 0.43 H new ATOM 0 HG22 ILE A 4 -4.010 -0.671 0.813 1.00 0.43 H new ATOM 0 HG23 ILE A 4 -4.081 -1.372 2.447 1.00 0.43 H new ATOM 0 HD11 ILE A 4 0.503 -1.261 3.627 1.00 15.23 H new ATOM 0 HD12 ILE A 4 0.563 -1.494 1.864 1.00 15.23 H new ATOM 0 HD13 ILE A 4 -0.175 -0.024 2.542 1.00 15.23 H new ATOM 90 N PHE A 5 -2.713 -2.316 -1.471 1.00 13.20 N ATOM 91 CA PHE A 5 -3.387 -2.073 -2.741 1.00 74.11 C ATOM 92 C PHE A 5 -4.166 -3.307 -3.188 1.00 50.10 C ATOM 93 O PHE A 5 -5.394 -3.285 -3.270 1.00 13.40 O ATOM 94 CB PHE A 5 -2.371 -1.681 -3.815 1.00 50.34 C ATOM 95 CG PHE A 5 -1.773 -0.319 -3.606 1.00 25.24 C ATOM 96 CD1 PHE A 5 -2.580 0.772 -3.326 1.00 70.44 C ATOM 97 CD2 PHE A 5 -0.402 -0.130 -3.688 1.00 54.01 C ATOM 98 CE1 PHE A 5 -2.032 2.026 -3.132 1.00 75.24 C ATOM 99 CE2 PHE A 5 0.151 1.122 -3.495 1.00 32.33 C ATOM 100 CZ PHE A 5 -0.665 2.201 -3.218 1.00 13.12 C ATOM 0 H PHE A 5 -1.715 -2.103 -1.476 1.00 13.20 H new ATOM 0 HA PHE A 5 -4.090 -1.252 -2.599 1.00 74.11 H new ATOM 0 HB2 PHE A 5 -1.571 -2.421 -3.834 1.00 50.34 H new ATOM 0 HB3 PHE A 5 -2.856 -1.710 -4.791 1.00 50.34 H new ATOM 0 HD1 PHE A 5 -3.650 0.641 -3.259 1.00 70.44 H new ATOM 0 HD2 PHE A 5 0.241 -0.970 -3.905 1.00 54.01 H new ATOM 0 HE1 PHE A 5 -2.672 2.868 -2.913 1.00 75.24 H new ATOM 0 HE2 PHE A 5 1.221 1.256 -3.561 1.00 32.33 H new ATOM 0 HZ PHE A 5 -0.235 3.180 -3.069 1.00 13.12 H new ATOM 110 N LYS A 6 -3.442 -4.383 -3.477 1.00 33.21 N ATOM 111 CA LYS A 6 -4.063 -5.628 -3.915 1.00 44.22 C ATOM 112 C LYS A 6 -5.141 -6.074 -2.933 1.00 25.04 C ATOM 113 O LYS A 6 -6.238 -6.463 -3.333 1.00 41.01 O ATOM 114 CB LYS A 6 -3.005 -6.725 -4.062 1.00 14.45 C ATOM 115 CG LYS A 6 -3.359 -7.775 -5.100 1.00 22.54 C ATOM 116 CD LYS A 6 -2.919 -9.162 -4.661 1.00 74.42 C ATOM 117 CE LYS A 6 -4.106 -10.102 -4.514 1.00 30.42 C ATOM 118 NZ LYS A 6 -3.688 -11.532 -4.541 1.00 12.54 N ATOM 0 H LYS A 6 -2.424 -4.418 -3.416 1.00 33.21 H new ATOM 0 HA LYS A 6 -4.531 -5.451 -4.883 1.00 44.22 H new ATOM 0 HB2 LYS A 6 -2.053 -6.267 -4.331 1.00 14.45 H new ATOM 0 HB3 LYS A 6 -2.863 -7.213 -3.098 1.00 14.45 H new ATOM 0 HG2 LYS A 6 -4.435 -7.771 -5.271 1.00 22.54 H new ATOM 0 HG3 LYS A 6 -2.884 -7.525 -6.049 1.00 22.54 H new ATOM 0 HD2 LYS A 6 -2.218 -9.570 -5.389 1.00 74.42 H new ATOM 0 HD3 LYS A 6 -2.388 -9.093 -3.712 1.00 74.42 H new ATOM 0 HE2 LYS A 6 -4.622 -9.892 -3.577 1.00 30.42 H new ATOM 0 HE3 LYS A 6 -4.818 -9.916 -5.318 1.00 30.42 H new ATOM 0 HZ1 LYS A 6 -4.525 -12.140 -4.438 1.00 12.54 H new ATOM 0 HZ2 LYS A 6 -3.218 -11.739 -5.445 1.00 12.54 H new ATOM 0 HZ3 LYS A 6 -3.028 -11.716 -3.758 1.00 12.54 H new ATOM 132 N LYS A 7 -4.822 -6.014 -1.644 1.00 64.01 N ATOM 133 CA LYS A 7 -5.763 -6.409 -0.603 1.00 71.02 C ATOM 134 C LYS A 7 -7.063 -5.620 -0.717 1.00 52.54 C ATOM 135 O LYS A 7 -8.114 -6.179 -1.032 1.00 11.11 O ATOM 136 CB LYS A 7 -5.144 -6.196 0.780 1.00 15.03 C ATOM 137 CG LYS A 7 -6.089 -6.519 1.925 1.00 11.51 C ATOM 138 CD LYS A 7 -5.485 -7.539 2.876 1.00 53.15 C ATOM 139 CE LYS A 7 -6.555 -8.423 3.497 1.00 35.11 C ATOM 140 NZ LYS A 7 -6.581 -9.779 2.882 1.00 51.13 N ATOM 0 H LYS A 7 -3.918 -5.695 -1.296 1.00 64.01 H new ATOM 0 HA LYS A 7 -5.988 -7.467 -0.734 1.00 71.02 H new ATOM 0 HB2 LYS A 7 -4.253 -6.817 0.869 1.00 15.03 H new ATOM 0 HB3 LYS A 7 -4.820 -5.159 0.868 1.00 15.03 H new ATOM 0 HG2 LYS A 7 -6.325 -5.606 2.472 1.00 11.51 H new ATOM 0 HG3 LYS A 7 -7.028 -6.904 1.526 1.00 11.51 H new ATOM 0 HD2 LYS A 7 -4.767 -8.158 2.339 1.00 53.15 H new ATOM 0 HD3 LYS A 7 -4.935 -7.023 3.663 1.00 53.15 H new ATOM 0 HE2 LYS A 7 -6.374 -8.514 4.568 1.00 35.11 H new ATOM 0 HE3 LYS A 7 -7.530 -7.951 3.377 1.00 35.11 H new ATOM 0 HZ1 LYS A 7 -7.324 -10.351 3.333 1.00 51.13 H new ATOM 0 HZ2 LYS A 7 -6.779 -9.695 1.864 1.00 51.13 H new ATOM 0 HZ3 LYS A 7 -5.659 -10.240 3.019 1.00 51.13 H new ATOM 154 N ILE A 8 -6.984 -4.318 -0.462 1.00 32.15 N ATOM 155 CA ILE A 8 -8.154 -3.452 -0.539 1.00 34.55 C ATOM 156 C ILE A 8 -8.864 -3.605 -1.880 1.00 5.21 C ATOM 157 O ILE A 8 -10.091 -3.660 -1.941 1.00 32.03 O ATOM 158 CB ILE A 8 -7.775 -1.974 -0.336 1.00 50.41 C ATOM 159 CG1 ILE A 8 -7.090 -1.781 1.018 1.00 1.04 C ATOM 160 CG2 ILE A 8 -9.010 -1.091 -0.442 1.00 4.13 C ATOM 161 CD1 ILE A 8 -7.971 -2.132 2.197 1.00 54.34 C ATOM 0 H ILE A 8 -6.122 -3.840 -0.200 1.00 32.15 H new ATOM 0 HA ILE A 8 -8.827 -3.758 0.262 1.00 34.55 H new ATOM 0 HB ILE A 8 -7.076 -1.683 -1.120 1.00 50.41 H new ATOM 0 HG12 ILE A 8 -6.190 -2.395 1.052 1.00 1.04 H new ATOM 0 HG13 ILE A 8 -6.771 -0.743 1.110 1.00 1.04 H new ATOM 0 HG21 ILE A 8 -8.726 -0.049 -0.296 1.00 4.13 H new ATOM 0 HG22 ILE A 8 -9.459 -1.210 -1.428 1.00 4.13 H new ATOM 0 HG23 ILE A 8 -9.731 -1.381 0.322 1.00 4.13 H new ATOM 0 HD11 ILE A 8 -7.420 -1.971 3.124 1.00 54.34 H new ATOM 0 HD12 ILE A 8 -8.859 -1.500 2.188 1.00 54.34 H new ATOM 0 HD13 ILE A 8 -8.269 -3.178 2.129 1.00 54.34 H new ATOM 173 N GLU A 9 -8.081 -3.674 -2.952 1.00 50.34 N ATOM 174 CA GLU A 9 -8.635 -3.821 -4.293 1.00 50.12 C ATOM 175 C GLU A 9 -9.458 -5.101 -4.404 1.00 62.33 C ATOM 176 O GLU A 9 -10.577 -5.091 -4.917 1.00 70.53 O ATOM 177 CB GLU A 9 -7.514 -3.830 -5.334 1.00 63.32 C ATOM 178 CG GLU A 9 -7.000 -2.445 -5.688 1.00 2.23 C ATOM 179 CD GLU A 9 -5.800 -2.486 -6.614 1.00 24.45 C ATOM 180 OE1 GLU A 9 -5.056 -3.489 -6.577 1.00 50.23 O ATOM 181 OE2 GLU A 9 -5.605 -1.516 -7.375 1.00 4.31 O ATOM 0 H GLU A 9 -7.062 -3.631 -2.918 1.00 50.34 H new ATOM 0 HA GLU A 9 -9.290 -2.971 -4.483 1.00 50.12 H new ATOM 0 HB2 GLU A 9 -6.686 -4.430 -4.958 1.00 63.32 H new ATOM 0 HB3 GLU A 9 -7.875 -4.317 -6.240 1.00 63.32 H new ATOM 0 HG2 GLU A 9 -7.800 -1.875 -6.161 1.00 2.23 H new ATOM 0 HG3 GLU A 9 -6.730 -1.917 -4.773 1.00 2.23 H new ATOM 188 N LYS A 10 -8.895 -6.203 -3.920 1.00 63.23 N ATOM 189 CA LYS A 10 -9.574 -7.493 -3.964 1.00 12.55 C ATOM 190 C LYS A 10 -10.773 -7.507 -3.021 1.00 75.41 C ATOM 191 O LYS A 10 -11.909 -7.719 -3.448 1.00 44.10 O ATOM 192 CB LYS A 10 -8.605 -8.616 -3.590 1.00 5.02 C ATOM 193 CG LYS A 10 -9.059 -9.990 -4.051 1.00 44.03 C ATOM 194 CD LYS A 10 -8.569 -11.082 -3.116 1.00 21.53 C ATOM 195 CE LYS A 10 -7.376 -11.824 -3.700 1.00 53.22 C ATOM 196 NZ LYS A 10 -6.940 -12.949 -2.827 1.00 52.42 N ATOM 0 H LYS A 10 -7.969 -6.229 -3.492 1.00 63.23 H new ATOM 0 HA LYS A 10 -9.931 -7.654 -4.981 1.00 12.55 H new ATOM 0 HB2 LYS A 10 -7.628 -8.401 -4.023 1.00 5.02 H new ATOM 0 HB3 LYS A 10 -8.478 -8.629 -2.508 1.00 5.02 H new ATOM 0 HG2 LYS A 10 -10.147 -10.016 -4.103 1.00 44.03 H new ATOM 0 HG3 LYS A 10 -8.687 -10.178 -5.058 1.00 44.03 H new ATOM 0 HD2 LYS A 10 -8.292 -10.644 -2.157 1.00 21.53 H new ATOM 0 HD3 LYS A 10 -9.378 -11.787 -2.923 1.00 21.53 H new ATOM 0 HE2 LYS A 10 -7.635 -12.209 -4.686 1.00 53.22 H new ATOM 0 HE3 LYS A 10 -6.548 -11.129 -3.837 1.00 53.22 H new ATOM 0 HZ1 LYS A 10 -6.125 -13.429 -3.260 1.00 52.42 H new ATOM 0 HZ2 LYS A 10 -6.668 -12.579 -1.894 1.00 52.42 H new ATOM 0 HZ3 LYS A 10 -7.722 -13.626 -2.717 1.00 52.42 H new ATOM 210 N VAL A 11 -10.514 -7.280 -1.737 1.00 74.12 N ATOM 211 CA VAL A 11 -11.573 -7.265 -0.735 1.00 11.22 C ATOM 212 C VAL A 11 -12.709 -6.336 -1.149 1.00 5.52 C ATOM 213 O VAL A 11 -13.875 -6.594 -0.855 1.00 61.34 O ATOM 214 CB VAL A 11 -11.038 -6.822 0.640 1.00 22.51 C ATOM 215 CG1 VAL A 11 -12.162 -6.787 1.665 1.00 44.15 C ATOM 216 CG2 VAL A 11 -9.918 -7.745 1.097 1.00 4.30 C ATOM 0 H VAL A 11 -9.580 -7.104 -1.366 1.00 74.12 H new ATOM 0 HA VAL A 11 -11.951 -8.285 -0.659 1.00 11.22 H new ATOM 0 HB VAL A 11 -10.633 -5.814 0.546 1.00 22.51 H new ATOM 0 HG11 VAL A 11 -11.765 -6.472 2.630 1.00 44.15 H new ATOM 0 HG12 VAL A 11 -12.928 -6.083 1.341 1.00 44.15 H new ATOM 0 HG13 VAL A 11 -12.599 -7.781 1.760 1.00 44.15 H new ATOM 0 HG21 VAL A 11 -9.551 -7.418 2.070 1.00 4.30 H new ATOM 0 HG22 VAL A 11 -10.296 -8.764 1.175 1.00 4.30 H new ATOM 0 HG23 VAL A 11 -9.103 -7.715 0.373 1.00 4.30 H new ATOM 226 N GLY A 12 -12.359 -5.251 -1.834 1.00 4.12 N ATOM 227 CA GLY A 12 -13.360 -4.299 -2.278 1.00 1.11 C ATOM 228 C GLY A 12 -14.179 -4.820 -3.442 1.00 12.20 C ATOM 229 O GLY A 12 -15.372 -4.534 -3.547 1.00 41.35 O ATOM 0 H GLY A 12 -11.400 -5.015 -2.089 1.00 4.12 H new ATOM 0 HA2 GLY A 12 -14.025 -4.061 -1.447 1.00 1.11 H new ATOM 0 HA3 GLY A 12 -12.870 -3.370 -2.570 1.00 1.11 H new ATOM 233 N ARG A 13 -13.538 -5.585 -4.319 1.00 71.31 N ATOM 234 CA ARG A 13 -14.215 -6.145 -5.483 1.00 43.31 C ATOM 235 C ARG A 13 -15.023 -7.381 -5.100 1.00 12.20 C ATOM 236 O ARG A 13 -16.071 -7.655 -5.684 1.00 1.44 O ATOM 237 CB ARG A 13 -13.197 -6.504 -6.567 1.00 51.45 C ATOM 238 CG ARG A 13 -12.673 -5.300 -7.333 1.00 42.21 C ATOM 239 CD ARG A 13 -13.252 -5.238 -8.738 1.00 2.41 C ATOM 240 NE ARG A 13 -13.265 -3.876 -9.265 1.00 13.45 N ATOM 241 CZ ARG A 13 -12.198 -3.277 -9.782 1.00 73.22 C ATOM 242 NH1 ARG A 13 -11.039 -3.918 -9.843 1.00 0.33 N ATOM 243 NH2 ARG A 13 -12.290 -2.036 -10.241 1.00 42.43 N ATOM 0 H ARG A 13 -12.551 -5.831 -4.246 1.00 71.31 H new ATOM 0 HA ARG A 13 -14.900 -5.391 -5.872 1.00 43.31 H new ATOM 0 HB2 ARG A 13 -12.357 -7.025 -6.107 1.00 51.45 H new ATOM 0 HB3 ARG A 13 -13.657 -7.199 -7.270 1.00 51.45 H new ATOM 0 HG2 ARG A 13 -12.925 -4.387 -6.794 1.00 42.21 H new ATOM 0 HG3 ARG A 13 -11.585 -5.348 -7.388 1.00 42.21 H new ATOM 0 HD2 ARG A 13 -12.667 -5.877 -9.400 1.00 2.41 H new ATOM 0 HD3 ARG A 13 -14.268 -5.633 -8.729 1.00 2.41 H new ATOM 0 HE ARG A 13 -14.142 -3.356 -9.234 1.00 13.45 H new ATOM 0 HH11 ARG A 13 -10.965 -4.873 -9.493 1.00 0.33 H new ATOM 0 HH12 ARG A 13 -10.221 -3.456 -10.240 1.00 0.33 H new ATOM 0 HH21 ARG A 13 -13.181 -1.541 -10.197 1.00 42.43 H new ATOM 0 HH22 ARG A 13 -11.470 -1.577 -10.638 1.00 42.43 H new ATOM 257 N ASN A 14 -14.528 -8.124 -4.115 1.00 41.34 N ATOM 258 CA ASN A 14 -15.204 -9.331 -3.655 1.00 64.41 C ATOM 259 C ASN A 14 -16.645 -9.030 -3.258 1.00 35.14 C ATOM 260 O ASN A 14 -17.585 -9.619 -3.793 1.00 45.14 O ATOM 261 CB ASN A 14 -14.453 -9.940 -2.469 1.00 64.54 C ATOM 262 CG ASN A 14 -14.835 -11.387 -2.224 1.00 72.32 C ATOM 263 OD1 ASN A 14 -15.732 -11.678 -1.433 1.00 31.23 O ATOM 264 ND2 ASN A 14 -14.154 -12.303 -2.904 1.00 54.51 N ATOM 0 H ASN A 14 -13.662 -7.911 -3.621 1.00 41.34 H new ATOM 0 HA ASN A 14 -15.215 -10.047 -4.477 1.00 64.41 H new ATOM 0 HB2 ASN A 14 -13.380 -9.876 -2.650 1.00 64.54 H new ATOM 0 HB3 ASN A 14 -14.660 -9.356 -1.573 1.00 64.54 H new ATOM 0 HD21 ASN A 14 -14.367 -13.293 -2.780 1.00 54.51 H new ATOM 0 HD22 ASN A 14 -13.418 -12.016 -3.550 1.00 54.51 H new ATOM 271 N VAL A 15 -16.813 -8.108 -2.315 1.00 34.44 N ATOM 272 CA VAL A 15 -18.140 -7.727 -1.846 1.00 53.10 C ATOM 273 C VAL A 15 -19.053 -7.367 -3.013 1.00 42.01 C ATOM 274 O VAL A 15 -20.086 -8.002 -3.225 1.00 40.12 O ATOM 275 CB VAL A 15 -18.071 -6.533 -0.876 1.00 11.15 C ATOM 276 CG1 VAL A 15 -19.446 -6.234 -0.297 1.00 61.32 C ATOM 277 CG2 VAL A 15 -17.065 -6.805 0.233 1.00 71.24 C ATOM 0 H VAL A 15 -16.047 -7.611 -1.861 1.00 34.44 H new ATOM 0 HA VAL A 15 -18.550 -8.590 -1.320 1.00 53.10 H new ATOM 0 HB VAL A 15 -17.738 -5.656 -1.431 1.00 11.15 H new ATOM 0 HG11 VAL A 15 -19.377 -5.387 0.386 1.00 61.32 H new ATOM 0 HG12 VAL A 15 -20.137 -5.993 -1.105 1.00 61.32 H new ATOM 0 HG13 VAL A 15 -19.811 -7.107 0.244 1.00 61.32 H new ATOM 0 HG21 VAL A 15 -17.029 -5.951 0.909 1.00 71.24 H new ATOM 0 HG22 VAL A 15 -17.366 -7.694 0.787 1.00 71.24 H new ATOM 0 HG23 VAL A 15 -16.078 -6.965 -0.202 1.00 71.24 H new ATOM 287 N ARG A 16 -18.664 -6.344 -3.768 1.00 22.54 N ATOM 288 CA ARG A 16 -19.447 -5.899 -4.914 1.00 32.13 C ATOM 289 C ARG A 16 -19.770 -7.069 -5.839 1.00 13.40 C ATOM 290 O ARG A 16 -20.936 -7.345 -6.122 1.00 60.51 O ATOM 291 CB ARG A 16 -18.690 -4.817 -5.687 1.00 33.45 C ATOM 292 CG ARG A 16 -19.510 -3.562 -5.938 1.00 23.13 C ATOM 293 CD ARG A 16 -18.698 -2.504 -6.669 1.00 72.21 C ATOM 294 NE ARG A 16 -19.533 -1.674 -7.533 1.00 73.31 N ATOM 295 CZ ARG A 16 -20.405 -0.782 -7.076 1.00 22.00 C ATOM 296 NH1 ARG A 16 -20.554 -0.605 -5.771 1.00 12.15 N ATOM 297 NH2 ARG A 16 -21.129 -0.064 -7.925 1.00 63.34 N ATOM 0 H ARG A 16 -17.811 -5.808 -3.606 1.00 22.54 H new ATOM 0 HA ARG A 16 -20.383 -5.482 -4.543 1.00 32.13 H new ATOM 0 HB2 ARG A 16 -17.791 -4.548 -5.133 1.00 33.45 H new ATOM 0 HB3 ARG A 16 -18.365 -5.226 -6.644 1.00 33.45 H new ATOM 0 HG2 ARG A 16 -20.393 -3.814 -6.525 1.00 23.13 H new ATOM 0 HG3 ARG A 16 -19.862 -3.160 -4.988 1.00 23.13 H new ATOM 0 HD2 ARG A 16 -18.188 -1.872 -5.942 1.00 72.21 H new ATOM 0 HD3 ARG A 16 -17.926 -2.988 -7.267 1.00 72.21 H new ATOM 0 HE ARG A 16 -19.442 -1.785 -8.543 1.00 73.31 H new ATOM 0 HH11 ARG A 16 -19.998 -1.154 -5.115 1.00 12.15 H new ATOM 0 HH12 ARG A 16 -21.224 0.080 -5.423 1.00 12.15 H new ATOM 0 HH21 ARG A 16 -21.016 -0.197 -8.930 1.00 63.34 H new ATOM 0 HH22 ARG A 16 -21.798 0.620 -7.573 1.00 63.34 H new ATOM 311 N ASP A 17 -18.731 -7.751 -6.307 1.00 3.51 N ATOM 312 CA ASP A 17 -18.903 -8.890 -7.200 1.00 34.52 C ATOM 313 C ASP A 17 -19.896 -9.892 -6.617 1.00 53.53 C ATOM 314 O ASP A 17 -20.739 -10.433 -7.332 1.00 22.02 O ATOM 315 CB ASP A 17 -17.559 -9.575 -7.453 1.00 74.13 C ATOM 316 CG ASP A 17 -17.617 -10.552 -8.611 1.00 23.51 C ATOM 317 OD1 ASP A 17 -17.910 -10.114 -9.743 1.00 21.43 O ATOM 318 OD2 ASP A 17 -17.369 -11.756 -8.385 1.00 12.33 O ATOM 0 H ASP A 17 -17.760 -7.534 -6.082 1.00 3.51 H new ATOM 0 HA ASP A 17 -19.298 -8.521 -8.147 1.00 34.52 H new ATOM 0 HB2 ASP A 17 -16.801 -8.818 -7.657 1.00 74.13 H new ATOM 0 HB3 ASP A 17 -17.248 -10.103 -6.551 1.00 74.13 H new ATOM 323 N GLY A 18 -19.790 -10.133 -5.314 1.00 63.42 N ATOM 324 CA GLY A 18 -20.683 -11.070 -4.658 1.00 54.20 C ATOM 325 C GLY A 18 -22.109 -10.560 -4.591 1.00 34.41 C ATOM 326 O GLY A 18 -23.057 -11.317 -4.806 1.00 24.32 O ATOM 0 H GLY A 18 -19.102 -9.696 -4.701 1.00 63.42 H new ATOM 0 HA2 GLY A 18 -20.665 -12.020 -5.192 1.00 54.20 H new ATOM 0 HA3 GLY A 18 -20.322 -11.265 -3.648 1.00 54.20 H new ATOM 330 N ILE A 19 -22.263 -9.275 -4.291 1.00 34.24 N ATOM 331 CA ILE A 19 -23.584 -8.666 -4.195 1.00 73.51 C ATOM 332 C ILE A 19 -24.254 -8.589 -5.563 1.00 2.40 C ATOM 333 O ILE A 19 -25.464 -8.781 -5.685 1.00 11.44 O ATOM 334 CB ILE A 19 -23.510 -7.252 -3.591 1.00 41.32 C ATOM 335 CG1 ILE A 19 -22.899 -7.303 -2.189 1.00 74.52 C ATOM 336 CG2 ILE A 19 -24.893 -6.620 -3.549 1.00 74.25 C ATOM 337 CD1 ILE A 19 -22.285 -5.993 -1.749 1.00 63.30 C ATOM 0 H ILE A 19 -21.489 -8.635 -4.110 1.00 34.24 H new ATOM 0 HA ILE A 19 -24.177 -9.301 -3.538 1.00 73.51 H new ATOM 0 HB ILE A 19 -22.870 -6.637 -4.223 1.00 41.32 H new ATOM 0 HG12 ILE A 19 -23.671 -7.591 -1.475 1.00 74.52 H new ATOM 0 HG13 ILE A 19 -22.135 -8.080 -2.163 1.00 74.52 H new ATOM 0 HG21 ILE A 19 -24.823 -5.621 -3.119 1.00 74.25 H new ATOM 0 HG22 ILE A 19 -25.293 -6.553 -4.561 1.00 74.25 H new ATOM 0 HG23 ILE A 19 -25.555 -7.233 -2.937 1.00 74.25 H new ATOM 0 HD11 ILE A 19 -21.872 -6.103 -0.746 1.00 63.30 H new ATOM 0 HD12 ILE A 19 -21.490 -5.713 -2.440 1.00 63.30 H new ATOM 0 HD13 ILE A 19 -23.050 -5.217 -1.743 1.00 63.30 H new ATOM 349 N ILE A 20 -23.459 -8.308 -6.590 1.00 4.44 N ATOM 350 CA ILE A 20 -23.974 -8.208 -7.949 1.00 41.54 C ATOM 351 C ILE A 20 -24.227 -9.589 -8.545 1.00 3.45 C ATOM 352 O ILE A 20 -25.277 -9.840 -9.136 1.00 12.44 O ATOM 353 CB ILE A 20 -23.004 -7.437 -8.864 1.00 3.41 C ATOM 354 CG1 ILE A 20 -22.783 -6.020 -8.331 1.00 1.44 C ATOM 355 CG2 ILE A 20 -23.538 -7.395 -10.288 1.00 22.32 C ATOM 356 CD1 ILE A 20 -24.032 -5.166 -8.347 1.00 20.52 C ATOM 0 H ILE A 20 -22.456 -8.146 -6.506 1.00 4.44 H new ATOM 0 HA ILE A 20 -24.916 -7.662 -7.889 1.00 41.54 H new ATOM 0 HB ILE A 20 -22.046 -7.956 -8.871 1.00 3.41 H new ATOM 0 HG12 ILE A 20 -22.406 -6.079 -7.310 1.00 1.44 H new ATOM 0 HG13 ILE A 20 -22.012 -5.532 -8.927 1.00 1.44 H new ATOM 0 HG21 ILE A 20 -22.841 -6.847 -10.922 1.00 22.32 H new ATOM 0 HG22 ILE A 20 -23.649 -8.412 -10.665 1.00 22.32 H new ATOM 0 HG23 ILE A 20 -24.507 -6.896 -10.299 1.00 22.32 H new ATOM 0 HD11 ILE A 20 -23.800 -4.175 -7.956 1.00 20.52 H new ATOM 0 HD12 ILE A 20 -24.398 -5.076 -9.370 1.00 20.52 H new ATOM 0 HD13 ILE A 20 -24.799 -5.631 -7.727 1.00 20.52 H new ATOM 368 N LYS A 21 -23.257 -10.483 -8.383 1.00 52.31 N ATOM 369 CA LYS A 21 -23.374 -11.841 -8.901 1.00 52.30 C ATOM 370 C LYS A 21 -24.679 -12.486 -8.446 1.00 30.24 C ATOM 371 O LYS A 21 -25.597 -12.680 -9.241 1.00 54.15 O ATOM 372 CB LYS A 21 -22.186 -12.688 -8.441 1.00 22.11 C ATOM 373 CG LYS A 21 -20.954 -12.535 -9.317 1.00 35.31 C ATOM 374 CD LYS A 21 -20.734 -13.761 -10.187 1.00 62.14 C ATOM 375 CE LYS A 21 -19.758 -13.473 -11.318 1.00 70.42 C ATOM 376 NZ LYS A 21 -18.344 -13.499 -10.851 1.00 33.31 N ATOM 0 H LYS A 21 -22.381 -10.291 -7.897 1.00 52.31 H new ATOM 0 HA LYS A 21 -23.375 -11.789 -9.990 1.00 52.30 H new ATOM 0 HB2 LYS A 21 -21.930 -12.414 -7.418 1.00 22.11 H new ATOM 0 HB3 LYS A 21 -22.483 -13.737 -8.426 1.00 22.11 H new ATOM 0 HG2 LYS A 21 -21.063 -11.654 -9.949 1.00 35.31 H new ATOM 0 HG3 LYS A 21 -20.078 -12.371 -8.689 1.00 35.31 H new ATOM 0 HD2 LYS A 21 -20.353 -14.579 -9.576 1.00 62.14 H new ATOM 0 HD3 LYS A 21 -21.687 -14.090 -10.602 1.00 62.14 H new ATOM 0 HE2 LYS A 21 -19.892 -14.210 -12.110 1.00 70.42 H new ATOM 0 HE3 LYS A 21 -19.980 -12.497 -11.750 1.00 70.42 H new ATOM 0 HZ1 LYS A 21 -17.717 -13.199 -11.625 1.00 33.31 H new ATOM 0 HZ2 LYS A 21 -18.233 -12.852 -10.045 1.00 33.31 H new ATOM 0 HZ3 LYS A 21 -18.093 -14.465 -10.557 1.00 33.31 H new ATOM 390 N ALA A 22 -24.754 -12.816 -7.160 1.00 41.43 N ATOM 391 CA ALA A 22 -25.948 -13.436 -6.599 1.00 4.21 C ATOM 392 C ALA A 22 -26.818 -12.406 -5.887 1.00 52.11 C ATOM 393 O ALA A 22 -27.950 -12.148 -6.294 1.00 72.02 O ATOM 394 CB ALA A 22 -25.561 -14.554 -5.643 1.00 32.34 C ATOM 0 H ALA A 22 -24.002 -12.664 -6.488 1.00 41.43 H new ATOM 0 HA ALA A 22 -26.529 -13.858 -7.419 1.00 4.21 H new ATOM 0 HB1 ALA A 22 -26.462 -15.009 -5.231 1.00 32.34 H new ATOM 0 HB2 ALA A 22 -24.986 -15.309 -6.180 1.00 32.34 H new ATOM 0 HB3 ALA A 22 -24.957 -14.147 -4.832 1.00 32.34 H new ATOM 400 N GLY A 23 -26.282 -11.820 -4.821 1.00 32.04 N ATOM 401 CA GLY A 23 -27.025 -10.825 -4.069 1.00 21.42 C ATOM 402 C GLY A 23 -27.724 -11.415 -2.860 1.00 21.20 C ATOM 403 O GLY A 23 -28.948 -11.546 -2.826 1.00 63.03 O ATOM 0 H GLY A 23 -25.347 -12.016 -4.464 1.00 32.04 H new ATOM 0 HA2 GLY A 23 -26.345 -10.038 -3.743 1.00 21.42 H new ATOM 0 HA3 GLY A 23 -27.764 -10.359 -4.721 1.00 21.42 H new ATOM 407 N PRO A 24 -26.937 -11.785 -1.838 1.00 52.24 N ATOM 408 CA PRO A 24 -27.466 -12.371 -0.604 1.00 35.34 C ATOM 409 C PRO A 24 -28.243 -11.360 0.232 1.00 0.43 C ATOM 410 O PRO A 24 -28.317 -10.181 -0.114 1.00 11.02 O ATOM 411 CB PRO A 24 -26.209 -12.826 0.140 1.00 24.54 C ATOM 412 CG PRO A 24 -25.124 -11.945 -0.375 1.00 63.32 C ATOM 413 CD PRO A 24 -25.470 -11.658 -1.810 1.00 14.00 C ATOM 0 HA PRO A 24 -28.173 -13.175 -0.806 1.00 35.34 H new ATOM 0 HB2 PRO A 24 -26.327 -12.720 1.218 1.00 24.54 H new ATOM 0 HB3 PRO A 24 -25.992 -13.876 -0.055 1.00 24.54 H new ATOM 0 HG2 PRO A 24 -25.062 -11.023 0.203 1.00 63.32 H new ATOM 0 HG3 PRO A 24 -24.154 -12.435 -0.298 1.00 63.32 H new ATOM 0 HD2 PRO A 24 -25.147 -10.661 -2.110 1.00 14.00 H new ATOM 0 HD3 PRO A 24 -24.992 -12.365 -2.488 1.00 14.00 H new ATOM 421 N ALA A 25 -28.820 -11.828 1.334 1.00 1.22 N ATOM 422 CA ALA A 25 -29.589 -10.963 2.221 1.00 44.15 C ATOM 423 C ALA A 25 -28.723 -10.437 3.360 1.00 11.34 C ATOM 424 O ALA A 25 -28.794 -9.260 3.715 1.00 11.10 O ATOM 425 CB ALA A 25 -30.794 -11.710 2.772 1.00 40.00 C ATOM 0 H ALA A 25 -28.770 -12.802 1.634 1.00 1.22 H new ATOM 0 HA ALA A 25 -29.939 -10.109 1.642 1.00 44.15 H new ATOM 0 HB1 ALA A 25 -31.359 -11.052 3.433 1.00 40.00 H new ATOM 0 HB2 ALA A 25 -31.431 -12.031 1.948 1.00 40.00 H new ATOM 0 HB3 ALA A 25 -30.457 -12.583 3.331 1.00 40.00 H new ATOM 431 N VAL A 26 -27.906 -11.316 3.932 1.00 74.11 N ATOM 432 CA VAL A 26 -27.027 -10.940 5.032 1.00 44.30 C ATOM 433 C VAL A 26 -26.206 -9.704 4.681 1.00 12.43 C ATOM 434 O VAL A 26 -26.016 -8.816 5.512 1.00 20.13 O ATOM 435 CB VAL A 26 -26.070 -12.088 5.404 1.00 34.41 C ATOM 436 CG1 VAL A 26 -26.832 -13.221 6.075 1.00 71.53 C ATOM 437 CG2 VAL A 26 -25.333 -12.587 4.171 1.00 64.50 C ATOM 0 H VAL A 26 -27.835 -12.294 3.651 1.00 74.11 H new ATOM 0 HA VAL A 26 -27.667 -10.719 5.886 1.00 44.30 H new ATOM 0 HB VAL A 26 -25.332 -11.709 6.111 1.00 34.41 H new ATOM 0 HG11 VAL A 26 -26.140 -14.023 6.331 1.00 71.53 H new ATOM 0 HG12 VAL A 26 -27.310 -12.851 6.982 1.00 71.53 H new ATOM 0 HG13 VAL A 26 -27.593 -13.602 5.393 1.00 71.53 H new ATOM 0 HG21 VAL A 26 -24.661 -13.398 4.452 1.00 64.50 H new ATOM 0 HG22 VAL A 26 -26.054 -12.950 3.438 1.00 64.50 H new ATOM 0 HG23 VAL A 26 -24.755 -11.771 3.737 1.00 64.50 H new ATOM 447 N ALA A 27 -25.723 -9.652 3.444 1.00 23.44 N ATOM 448 CA ALA A 27 -24.925 -8.524 2.982 1.00 4.44 C ATOM 449 C ALA A 27 -25.767 -7.256 2.892 1.00 12.21 C ATOM 450 O ALA A 27 -25.437 -6.235 3.495 1.00 1.41 O ATOM 451 CB ALA A 27 -24.296 -8.839 1.633 1.00 1.02 C ATOM 0 H ALA A 27 -25.871 -10.379 2.744 1.00 23.44 H new ATOM 0 HA ALA A 27 -24.131 -8.351 3.709 1.00 4.44 H new ATOM 0 HB1 ALA A 27 -23.703 -7.987 1.300 1.00 1.02 H new ATOM 0 HB2 ALA A 27 -23.653 -9.714 1.727 1.00 1.02 H new ATOM 0 HB3 ALA A 27 -25.081 -9.041 0.904 1.00 1.02 H new ATOM 457 N VAL A 28 -26.857 -7.328 2.134 1.00 11.25 N ATOM 458 CA VAL A 28 -27.748 -6.186 1.966 1.00 45.34 C ATOM 459 C VAL A 28 -28.241 -5.669 3.313 1.00 63.54 C ATOM 460 O VAL A 28 -28.383 -4.463 3.513 1.00 25.23 O ATOM 461 CB VAL A 28 -28.963 -6.546 1.090 1.00 5.12 C ATOM 462 CG1 VAL A 28 -29.891 -5.349 0.946 1.00 24.52 C ATOM 463 CG2 VAL A 28 -28.507 -7.045 -0.273 1.00 33.12 C ATOM 0 H VAL A 28 -27.144 -8.165 1.627 1.00 11.25 H new ATOM 0 HA VAL A 28 -27.171 -5.405 1.471 1.00 45.34 H new ATOM 0 HB VAL A 28 -29.517 -7.348 1.578 1.00 5.12 H new ATOM 0 HG11 VAL A 28 -30.743 -5.622 0.324 1.00 24.52 H new ATOM 0 HG12 VAL A 28 -30.244 -5.042 1.930 1.00 24.52 H new ATOM 0 HG13 VAL A 28 -29.352 -4.524 0.480 1.00 24.52 H new ATOM 0 HG21 VAL A 28 -29.378 -7.295 -0.879 1.00 33.12 H new ATOM 0 HG22 VAL A 28 -27.930 -6.266 -0.771 1.00 33.12 H new ATOM 0 HG23 VAL A 28 -27.886 -7.932 -0.147 1.00 33.12 H new ATOM 473 N VAL A 29 -28.500 -6.591 4.234 1.00 34.35 N ATOM 474 CA VAL A 29 -28.977 -6.230 5.564 1.00 5.23 C ATOM 475 C VAL A 29 -27.850 -5.650 6.413 1.00 70.45 C ATOM 476 O VAL A 29 -27.933 -4.517 6.883 1.00 50.41 O ATOM 477 CB VAL A 29 -29.581 -7.444 6.294 1.00 62.55 C ATOM 478 CG1 VAL A 29 -30.041 -7.055 7.690 1.00 41.41 C ATOM 479 CG2 VAL A 29 -30.731 -8.031 5.489 1.00 42.44 C ATOM 0 H VAL A 29 -28.388 -7.594 4.084 1.00 34.35 H new ATOM 0 HA VAL A 29 -29.752 -5.476 5.428 1.00 5.23 H new ATOM 0 HB VAL A 29 -28.809 -8.207 6.392 1.00 62.55 H new ATOM 0 HG11 VAL A 29 -30.465 -7.926 8.189 1.00 41.41 H new ATOM 0 HG12 VAL A 29 -29.191 -6.686 8.264 1.00 41.41 H new ATOM 0 HG13 VAL A 29 -30.798 -6.274 7.619 1.00 41.41 H new ATOM 0 HG21 VAL A 29 -31.146 -8.888 6.019 1.00 42.44 H new ATOM 0 HG22 VAL A 29 -31.506 -7.276 5.357 1.00 42.44 H new ATOM 0 HG23 VAL A 29 -30.366 -8.350 4.513 1.00 42.44 H new ATOM 489 N GLY A 30 -26.795 -6.437 6.604 1.00 75.41 N ATOM 490 CA GLY A 30 -25.666 -5.985 7.395 1.00 33.24 C ATOM 491 C GLY A 30 -25.103 -4.667 6.902 1.00 15.04 C ATOM 492 O GLY A 30 -24.854 -3.758 7.693 1.00 11.50 O ATOM 0 H GLY A 30 -26.703 -7.379 6.225 1.00 75.41 H new ATOM 0 HA2 GLY A 30 -25.974 -5.878 8.435 1.00 33.24 H new ATOM 0 HA3 GLY A 30 -24.883 -6.743 7.371 1.00 33.24 H new ATOM 496 N GLN A 31 -24.902 -4.564 5.593 1.00 63.33 N ATOM 497 CA GLN A 31 -24.362 -3.348 4.996 1.00 12.14 C ATOM 498 C GLN A 31 -25.228 -2.141 5.343 1.00 31.32 C ATOM 499 O GLN A 31 -24.788 -1.230 6.044 1.00 33.51 O ATOM 500 CB GLN A 31 -24.263 -3.500 3.478 1.00 51.24 C ATOM 501 CG GLN A 31 -23.446 -2.406 2.809 1.00 63.42 C ATOM 502 CD GLN A 31 -24.180 -1.751 1.656 1.00 14.22 C ATOM 503 OE1 GLN A 31 -25.403 -1.607 1.686 1.00 41.32 O ATOM 504 NE2 GLN A 31 -23.437 -1.349 0.632 1.00 60.01 N ATOM 0 H GLN A 31 -25.105 -5.308 4.925 1.00 63.33 H new ATOM 0 HA GLN A 31 -23.364 -3.186 5.403 1.00 12.14 H new ATOM 0 HB2 GLN A 31 -23.818 -4.468 3.246 1.00 51.24 H new ATOM 0 HB3 GLN A 31 -25.268 -3.502 3.055 1.00 51.24 H new ATOM 0 HG2 GLN A 31 -23.188 -1.647 3.548 1.00 63.42 H new ATOM 0 HG3 GLN A 31 -22.509 -2.828 2.445 1.00 63.42 H new ATOM 0 HE21 GLN A 31 -22.427 -1.488 0.649 1.00 60.01 H new ATOM 0 HE22 GLN A 31 -23.876 -0.901 -0.172 1.00 60.01 H new ATOM 513 N ALA A 32 -26.461 -2.142 4.847 1.00 10.12 N ATOM 514 CA ALA A 32 -27.389 -1.048 5.106 1.00 31.11 C ATOM 515 C ALA A 32 -27.518 -0.779 6.602 1.00 65.44 C ATOM 516 O ALA A 32 -27.519 0.372 7.037 1.00 34.51 O ATOM 517 CB ALA A 32 -28.752 -1.359 4.505 1.00 42.33 C ATOM 0 H ALA A 32 -26.840 -2.888 4.264 1.00 10.12 H new ATOM 0 HA ALA A 32 -26.992 -0.149 4.635 1.00 31.11 H new ATOM 0 HB1 ALA A 32 -29.435 -0.534 4.706 1.00 42.33 H new ATOM 0 HB2 ALA A 32 -28.653 -1.494 3.428 1.00 42.33 H new ATOM 0 HB3 ALA A 32 -29.146 -2.273 4.950 1.00 42.33 H new ATOM 523 N ALA A 33 -27.625 -1.849 7.383 1.00 15.11 N ATOM 524 CA ALA A 33 -27.753 -1.728 8.830 1.00 11.01 C ATOM 525 C ALA A 33 -26.551 -1.005 9.429 1.00 54.34 C ATOM 526 O ALA A 33 -26.704 -0.087 10.236 1.00 30.42 O ATOM 527 CB ALA A 33 -27.913 -3.103 9.463 1.00 41.55 C ATOM 0 H ALA A 33 -27.626 -2.809 7.038 1.00 15.11 H new ATOM 0 HA ALA A 33 -28.643 -1.136 9.043 1.00 11.01 H new ATOM 0 HB1 ALA A 33 -28.007 -2.997 10.544 1.00 41.55 H new ATOM 0 HB2 ALA A 33 -28.807 -3.585 9.066 1.00 41.55 H new ATOM 0 HB3 ALA A 33 -27.040 -3.713 9.233 1.00 41.55 H new ATOM 533 N THR A 34 -25.355 -1.423 9.028 1.00 23.34 N ATOM 534 CA THR A 34 -24.127 -0.817 9.527 1.00 42.24 C ATOM 535 C THR A 34 -23.977 0.614 9.023 1.00 45.03 C ATOM 536 O THR A 34 -23.504 1.491 9.746 1.00 41.23 O ATOM 537 CB THR A 34 -22.888 -1.630 9.106 1.00 1.22 C ATOM 538 OG1 THR A 34 -22.833 -1.736 7.679 1.00 23.03 O ATOM 539 CG2 THR A 34 -22.918 -3.020 9.722 1.00 34.35 C ATOM 0 H THR A 34 -25.210 -2.179 8.359 1.00 23.34 H new ATOM 0 HA THR A 34 -24.196 -0.811 10.615 1.00 42.24 H new ATOM 0 HB THR A 34 -22.000 -1.110 9.466 1.00 1.22 H new ATOM 0 HG1 THR A 34 -23.726 -1.584 7.305 1.00 23.03 H new ATOM 0 HG21 THR A 34 -22.033 -3.575 9.410 1.00 34.35 H new ATOM 0 HG22 THR A 34 -22.930 -2.936 10.809 1.00 34.35 H new ATOM 0 HG23 THR A 34 -23.813 -3.546 9.389 1.00 34.35 H new ATOM 547 N VAL A 35 -24.382 0.844 7.778 1.00 72.12 N ATOM 548 CA VAL A 35 -24.294 2.170 7.178 1.00 73.34 C ATOM 549 C VAL A 35 -25.268 3.138 7.840 1.00 43.33 C ATOM 550 O VAL A 35 -24.930 4.293 8.102 1.00 23.44 O ATOM 551 CB VAL A 35 -24.584 2.122 5.666 1.00 62.54 C ATOM 552 CG1 VAL A 35 -24.522 3.518 5.065 1.00 32.22 C ATOM 553 CG2 VAL A 35 -23.607 1.188 4.966 1.00 35.11 C ATOM 0 H VAL A 35 -24.774 0.129 7.165 1.00 72.12 H new ATOM 0 HA VAL A 35 -23.274 2.521 7.334 1.00 73.34 H new ATOM 0 HB VAL A 35 -25.592 1.734 5.519 1.00 62.54 H new ATOM 0 HG11 VAL A 35 -24.730 3.464 3.996 1.00 32.22 H new ATOM 0 HG12 VAL A 35 -25.264 4.155 5.547 1.00 32.22 H new ATOM 0 HG13 VAL A 35 -23.528 3.937 5.221 1.00 32.22 H new ATOM 0 HG21 VAL A 35 -23.826 1.166 3.898 1.00 35.11 H new ATOM 0 HG22 VAL A 35 -22.589 1.545 5.120 1.00 35.11 H new ATOM 0 HG23 VAL A 35 -23.706 0.183 5.377 1.00 35.11 H new ATOM 563 N VAL A 36 -26.479 2.661 8.108 1.00 61.30 N ATOM 564 CA VAL A 36 -27.502 3.484 8.741 1.00 32.24 C ATOM 565 C VAL A 36 -27.223 3.658 10.230 1.00 13.30 C ATOM 566 O VAL A 36 -27.267 4.771 10.755 1.00 3.02 O ATOM 567 CB VAL A 36 -28.905 2.873 8.561 1.00 4.02 C ATOM 568 CG1 VAL A 36 -29.953 3.728 9.256 1.00 0.23 C ATOM 569 CG2 VAL A 36 -29.230 2.713 7.084 1.00 64.32 C ATOM 0 H VAL A 36 -26.776 1.708 7.896 1.00 61.30 H new ATOM 0 HA VAL A 36 -27.472 4.458 8.252 1.00 32.24 H new ATOM 0 HB VAL A 36 -28.914 1.885 9.021 1.00 4.02 H new ATOM 0 HG11 VAL A 36 -30.937 3.281 9.118 1.00 0.23 H new ATOM 0 HG12 VAL A 36 -29.727 3.787 10.321 1.00 0.23 H new ATOM 0 HG13 VAL A 36 -29.947 4.731 8.828 1.00 0.23 H new ATOM 0 HG21 VAL A 36 -30.224 2.280 6.975 1.00 64.32 H new ATOM 0 HG22 VAL A 36 -29.204 3.688 6.598 1.00 64.32 H new ATOM 0 HG23 VAL A 36 -28.495 2.056 6.619 1.00 64.32 H new ATOM 579 N LYS A 37 -26.936 2.551 10.906 1.00 12.23 N ATOM 580 CA LYS A 37 -26.648 2.580 12.335 1.00 22.12 C ATOM 581 C LYS A 37 -25.207 3.012 12.591 1.00 15.10 C ATOM 582 O LYS A 37 -24.954 4.138 13.021 1.00 21.42 O ATOM 583 CB LYS A 37 -26.896 1.203 12.954 1.00 22.53 C ATOM 584 CG LYS A 37 -26.896 1.209 14.473 1.00 2.52 C ATOM 585 CD LYS A 37 -27.983 0.309 15.035 1.00 53.11 C ATOM 586 CE LYS A 37 -27.547 -0.347 16.336 1.00 10.31 C ATOM 587 NZ LYS A 37 -28.291 -1.610 16.597 1.00 64.31 N ATOM 0 H LYS A 37 -26.897 1.622 10.487 1.00 12.23 H new ATOM 0 HA LYS A 37 -27.315 3.306 12.800 1.00 22.12 H new ATOM 0 HB2 LYS A 37 -27.854 0.823 12.601 1.00 22.53 H new ATOM 0 HB3 LYS A 37 -26.130 0.512 12.602 1.00 22.53 H new ATOM 0 HG2 LYS A 37 -25.924 0.879 14.839 1.00 2.52 H new ATOM 0 HG3 LYS A 37 -27.043 2.227 14.834 1.00 2.52 H new ATOM 0 HD2 LYS A 37 -28.888 0.893 15.206 1.00 53.11 H new ATOM 0 HD3 LYS A 37 -28.233 -0.460 14.305 1.00 53.11 H new ATOM 0 HE2 LYS A 37 -26.478 -0.557 16.296 1.00 10.31 H new ATOM 0 HE3 LYS A 37 -27.706 0.345 17.163 1.00 10.31 H new ATOM 0 HZ1 LYS A 37 -27.965 -2.026 17.493 1.00 64.31 H new ATOM 0 HZ2 LYS A 37 -29.309 -1.407 16.660 1.00 64.31 H new ATOM 0 HZ3 LYS A 37 -28.120 -2.281 15.821 1.00 64.31 H new HETATM 601 N NH2 A 38 -24.268 2.111 12.322 1.00 4.44 N TER 603 NH2 A 38