USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 319 hydrogens (1 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ -155:sc=-0.00165 (180deg=-0.507) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -175:sc=-0.00047 (180deg=-0.03) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 69:sc= 1.2 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.771 -5.587 -1.760 1.00 3.41 N ATOM 2 CA ARG A 1 0.564 -5.653 -0.946 1.00 55.11 C ATOM 3 C ARG A 1 0.286 -4.311 -0.275 1.00 11.02 C ATOM 4 O ARG A 1 0.715 -4.070 0.853 1.00 1.24 O ATOM 5 CB ARG A 1 0.697 -6.748 0.114 1.00 12.31 C ATOM 6 CG ARG A 1 1.205 -8.070 -0.436 1.00 61.05 C ATOM 7 CD ARG A 1 0.504 -9.251 0.216 1.00 24.40 C ATOM 8 NE ARG A 1 0.577 -9.194 1.674 1.00 53.25 N ATOM 9 CZ ARG A 1 -0.131 -9.981 2.476 1.00 22.11 C ATOM 10 NH1 ARG A 1 -0.959 -10.882 1.965 1.00 1.23 N ATOM 11 NH2 ARG A 1 -0.010 -9.869 3.793 1.00 53.42 N ATOM 0 H1 ARG A 1 1.724 -6.307 -2.509 1.00 3.41 H new ATOM 0 H2 ARG A 1 1.848 -4.643 -2.190 1.00 3.41 H new ATOM 0 H3 ARG A 1 2.603 -5.764 -1.162 1.00 3.41 H new ATOM 0 HA ARG A 1 -0.273 -5.892 -1.602 1.00 55.11 H new ATOM 0 HB2 ARG A 1 1.375 -6.405 0.895 1.00 12.31 H new ATOM 0 HB3 ARG A 1 -0.274 -6.908 0.582 1.00 12.31 H new ATOM 0 HG2 ARG A 1 1.047 -8.102 -1.514 1.00 61.05 H new ATOM 0 HG3 ARG A 1 2.279 -8.146 -0.269 1.00 61.05 H new ATOM 0 HD2 ARG A 1 -0.541 -9.269 -0.094 1.00 24.40 H new ATOM 0 HD3 ARG A 1 0.956 -10.179 -0.134 1.00 24.40 H new ATOM 0 HE ARG A 1 1.206 -8.513 2.099 1.00 53.25 H new ATOM 0 HH11 ARG A 1 -1.053 -10.972 0.953 1.00 1.23 H new ATOM 0 HH12 ARG A 1 -1.501 -11.485 2.584 1.00 1.23 H new ATOM 0 HH21 ARG A 1 0.627 -9.178 4.190 1.00 53.42 H new ATOM 0 HH22 ARG A 1 -0.554 -10.474 4.408 1.00 53.42 H new ATOM 25 N TRP A 2 -0.433 -3.442 -0.976 1.00 73.42 N ATOM 26 CA TRP A 2 -0.768 -2.125 -0.448 1.00 45.52 C ATOM 27 C TRP A 2 -2.138 -2.137 0.220 1.00 22.41 C ATOM 28 O TRP A 2 -3.092 -2.709 -0.308 1.00 10.03 O ATOM 29 CB TRP A 2 -0.742 -1.082 -1.568 1.00 31.54 C ATOM 30 CG TRP A 2 0.544 -0.317 -1.637 1.00 44.32 C ATOM 31 CD1 TRP A 2 1.807 -0.837 -1.674 1.00 53.44 C ATOM 32 CD2 TRP A 2 0.693 1.107 -1.676 1.00 24.32 C ATOM 33 NE1 TRP A 2 2.731 0.178 -1.734 1.00 25.11 N ATOM 34 CE2 TRP A 2 2.074 1.380 -1.737 1.00 30.42 C ATOM 35 CE3 TRP A 2 -0.205 2.177 -1.667 1.00 1.21 C ATOM 36 CZ2 TRP A 2 2.574 2.678 -1.787 1.00 63.12 C ATOM 37 CZ3 TRP A 2 0.293 3.465 -1.717 1.00 3.14 C ATOM 38 CH2 TRP A 2 1.672 3.707 -1.777 1.00 22.10 C ATOM 0 H TRP A 2 -0.795 -3.626 -1.912 1.00 73.42 H new ATOM 0 HA TRP A 2 -0.022 -1.862 0.302 1.00 45.52 H new ATOM 0 HB2 TRP A 2 -0.912 -1.580 -2.523 1.00 31.54 H new ATOM 0 HB3 TRP A 2 -1.565 -0.383 -1.423 1.00 31.54 H new ATOM 0 HD1 TRP A 2 2.044 -1.891 -1.658 1.00 53.44 H new ATOM 0 HE1 TRP A 2 3.743 0.056 -1.770 1.00 25.11 H new ATOM 0 HE3 TRP A 2 -1.270 2.001 -1.622 1.00 1.21 H new ATOM 0 HZ2 TRP A 2 3.636 2.866 -1.832 1.00 63.12 H new ATOM 0 HZ3 TRP A 2 -0.392 4.300 -1.710 1.00 3.14 H new ATOM 0 HH2 TRP A 2 2.030 4.725 -1.816 1.00 22.10 H new ATOM 49 N LYS A 3 -2.229 -1.504 1.384 1.00 15.34 N ATOM 50 CA LYS A 3 -3.484 -1.441 2.125 1.00 2.41 C ATOM 51 C LYS A 3 -4.608 -0.901 1.247 1.00 42.25 C ATOM 52 O LYS A 3 -5.594 -1.592 0.991 1.00 53.15 O ATOM 53 CB LYS A 3 -3.324 -0.559 3.366 1.00 64.03 C ATOM 54 CG LYS A 3 -4.373 -0.816 4.434 1.00 45.32 C ATOM 55 CD LYS A 3 -4.271 0.190 5.568 1.00 53.50 C ATOM 56 CE LYS A 3 -3.373 -0.317 6.685 1.00 65.40 C ATOM 57 NZ LYS A 3 -4.151 -0.683 7.901 1.00 51.53 N ATOM 0 H LYS A 3 -1.449 -1.027 1.835 1.00 15.34 H new ATOM 0 HA LYS A 3 -3.744 -2.453 2.436 1.00 2.41 H new ATOM 0 HB2 LYS A 3 -2.335 -0.723 3.793 1.00 64.03 H new ATOM 0 HB3 LYS A 3 -3.372 0.488 3.066 1.00 64.03 H new ATOM 0 HG2 LYS A 3 -5.367 -0.765 3.989 1.00 45.32 H new ATOM 0 HG3 LYS A 3 -4.252 -1.825 4.829 1.00 45.32 H new ATOM 0 HD2 LYS A 3 -3.880 1.133 5.185 1.00 53.50 H new ATOM 0 HD3 LYS A 3 -5.266 0.395 5.964 1.00 53.50 H new ATOM 0 HE2 LYS A 3 -2.815 -1.186 6.336 1.00 65.40 H new ATOM 0 HE3 LYS A 3 -2.642 0.450 6.939 1.00 65.40 H new ATOM 0 HZ1 LYS A 3 -3.502 -1.024 8.639 1.00 51.53 H new ATOM 0 HZ2 LYS A 3 -4.664 0.152 8.250 1.00 51.53 H new ATOM 0 HZ3 LYS A 3 -4.831 -1.433 7.665 1.00 51.53 H new ATOM 71 N ILE A 4 -4.451 0.336 0.787 1.00 14.10 N ATOM 72 CA ILE A 4 -5.452 0.966 -0.065 1.00 12.42 C ATOM 73 C ILE A 4 -5.749 0.110 -1.291 1.00 64.30 C ATOM 74 O ILE A 4 -6.904 -0.202 -1.579 1.00 73.13 O ATOM 75 CB ILE A 4 -4.999 2.364 -0.526 1.00 51.14 C ATOM 76 CG1 ILE A 4 -4.707 3.255 0.683 1.00 72.30 C ATOM 77 CG2 ILE A 4 -6.059 2.998 -1.415 1.00 12.15 C ATOM 78 CD1 ILE A 4 -3.996 4.542 0.328 1.00 22.40 C ATOM 0 H ILE A 4 -3.641 0.921 0.990 1.00 14.10 H new ATOM 0 HA ILE A 4 -6.358 1.065 0.533 1.00 12.42 H new ATOM 0 HB ILE A 4 -4.082 2.259 -1.106 1.00 51.14 H new ATOM 0 HG12 ILE A 4 -5.646 3.494 1.183 1.00 72.30 H new ATOM 0 HG13 ILE A 4 -4.099 2.698 1.396 1.00 72.30 H new ATOM 0 HG21 ILE A 4 -5.724 3.985 -1.733 1.00 12.15 H new ATOM 0 HG22 ILE A 4 -6.222 2.371 -2.291 1.00 12.15 H new ATOM 0 HG23 ILE A 4 -6.991 3.093 -0.859 1.00 12.15 H new ATOM 0 HD11 ILE A 4 -3.822 5.123 1.234 1.00 22.40 H new ATOM 0 HD12 ILE A 4 -3.041 4.312 -0.145 1.00 22.40 H new ATOM 0 HD13 ILE A 4 -4.612 5.120 -0.361 1.00 22.40 H new ATOM 90 N PHE A 5 -4.697 -0.270 -2.009 1.00 42.32 N ATOM 91 CA PHE A 5 -4.844 -1.092 -3.205 1.00 3.14 C ATOM 92 C PHE A 5 -5.674 -2.337 -2.909 1.00 73.45 C ATOM 93 O PHE A 5 -6.757 -2.522 -3.466 1.00 31.15 O ATOM 94 CB PHE A 5 -3.470 -1.497 -3.743 1.00 22.03 C ATOM 95 CG PHE A 5 -3.327 -1.308 -5.226 1.00 12.42 C ATOM 96 CD1 PHE A 5 -4.184 -1.950 -6.105 1.00 50.01 C ATOM 97 CD2 PHE A 5 -2.337 -0.487 -5.741 1.00 2.12 C ATOM 98 CE1 PHE A 5 -4.054 -1.778 -7.470 1.00 53.13 C ATOM 99 CE2 PHE A 5 -2.203 -0.311 -7.105 1.00 45.31 C ATOM 100 CZ PHE A 5 -3.063 -0.956 -7.971 1.00 33.41 C ATOM 0 H PHE A 5 -3.734 -0.022 -1.784 1.00 42.32 H new ATOM 0 HA PHE A 5 -5.363 -0.502 -3.961 1.00 3.14 H new ATOM 0 HB2 PHE A 5 -2.703 -0.913 -3.235 1.00 22.03 H new ATOM 0 HB3 PHE A 5 -3.287 -2.543 -3.499 1.00 22.03 H new ATOM 0 HD1 PHE A 5 -4.962 -2.592 -5.719 1.00 50.01 H new ATOM 0 HD2 PHE A 5 -1.662 0.021 -5.068 1.00 2.12 H new ATOM 0 HE1 PHE A 5 -4.727 -2.286 -8.145 1.00 53.13 H new ATOM 0 HE2 PHE A 5 -1.426 0.331 -7.493 1.00 45.31 H new ATOM 0 HZ PHE A 5 -2.961 -0.818 -9.037 1.00 33.41 H new ATOM 110 N LYS A 6 -5.159 -3.190 -2.031 1.00 21.25 N ATOM 111 CA LYS A 6 -5.851 -4.419 -1.659 1.00 51.42 C ATOM 112 C LYS A 6 -7.276 -4.123 -1.203 1.00 34.40 C ATOM 113 O LYS A 6 -8.221 -4.803 -1.604 1.00 72.20 O ATOM 114 CB LYS A 6 -5.088 -5.142 -0.547 1.00 60.24 C ATOM 115 CG LYS A 6 -3.789 -5.775 -1.014 1.00 64.32 C ATOM 116 CD LYS A 6 -3.278 -6.801 -0.016 1.00 71.11 C ATOM 117 CE LYS A 6 -3.057 -8.155 -0.672 1.00 71.34 C ATOM 118 NZ LYS A 6 -3.224 -9.275 0.296 1.00 41.45 N ATOM 0 H LYS A 6 -4.263 -3.053 -1.563 1.00 21.25 H new ATOM 0 HA LYS A 6 -5.895 -5.062 -2.538 1.00 51.42 H new ATOM 0 HB2 LYS A 6 -4.871 -4.434 0.253 1.00 60.24 H new ATOM 0 HB3 LYS A 6 -5.728 -5.916 -0.123 1.00 60.24 H new ATOM 0 HG2 LYS A 6 -3.943 -6.253 -1.982 1.00 64.32 H new ATOM 0 HG3 LYS A 6 -3.036 -5.000 -1.158 1.00 64.32 H new ATOM 0 HD2 LYS A 6 -2.343 -6.450 0.421 1.00 71.11 H new ATOM 0 HD3 LYS A 6 -3.993 -6.903 0.800 1.00 71.11 H new ATOM 0 HE2 LYS A 6 -3.761 -8.279 -1.495 1.00 71.34 H new ATOM 0 HE3 LYS A 6 -2.055 -8.192 -1.100 1.00 71.34 H new ATOM 0 HZ1 LYS A 6 -2.983 -10.174 -0.168 1.00 41.45 H new ATOM 0 HZ2 LYS A 6 -2.595 -9.126 1.111 1.00 41.45 H new ATOM 0 HZ3 LYS A 6 -4.211 -9.308 0.622 1.00 41.45 H new ATOM 132 N LYS A 7 -7.425 -3.104 -0.363 1.00 62.42 N ATOM 133 CA LYS A 7 -8.735 -2.717 0.146 1.00 41.51 C ATOM 134 C LYS A 7 -9.689 -2.392 -0.999 1.00 12.21 C ATOM 135 O LYS A 7 -10.667 -3.105 -1.225 1.00 14.22 O ATOM 136 CB LYS A 7 -8.606 -1.507 1.075 1.00 32.41 C ATOM 137 CG LYS A 7 -9.936 -1.016 1.621 1.00 5.31 C ATOM 138 CD LYS A 7 -9.793 0.335 2.303 1.00 30.43 C ATOM 139 CE LYS A 7 -10.197 0.265 3.768 1.00 72.51 C ATOM 140 NZ LYS A 7 -9.020 0.077 4.660 1.00 64.11 N ATOM 0 H LYS A 7 -6.654 -2.531 -0.020 1.00 62.42 H new ATOM 0 HA LYS A 7 -9.142 -3.558 0.708 1.00 41.51 H new ATOM 0 HB2 LYS A 7 -7.954 -1.767 1.909 1.00 32.41 H new ATOM 0 HB3 LYS A 7 -8.122 -0.694 0.534 1.00 32.41 H new ATOM 0 HG2 LYS A 7 -10.658 -0.940 0.808 1.00 5.31 H new ATOM 0 HG3 LYS A 7 -10.330 -1.743 2.331 1.00 5.31 H new ATOM 0 HD2 LYS A 7 -8.761 0.676 2.225 1.00 30.43 H new ATOM 0 HD3 LYS A 7 -10.411 1.071 1.789 1.00 30.43 H new ATOM 0 HE2 LYS A 7 -10.720 1.181 4.045 1.00 72.51 H new ATOM 0 HE3 LYS A 7 -10.897 -0.558 3.913 1.00 72.51 H new ATOM 0 HZ1 LYS A 7 -9.338 0.034 5.649 1.00 64.11 H new ATOM 0 HZ2 LYS A 7 -8.536 -0.810 4.413 1.00 64.11 H new ATOM 0 HZ3 LYS A 7 -8.364 0.875 4.541 1.00 64.11 H new ATOM 154 N ILE A 8 -9.398 -1.313 -1.718 1.00 64.54 N ATOM 155 CA ILE A 8 -10.229 -0.897 -2.841 1.00 62.21 C ATOM 156 C ILE A 8 -10.461 -2.051 -3.811 1.00 11.03 C ATOM 157 O ILE A 8 -11.573 -2.249 -4.300 1.00 2.24 O ATOM 158 CB ILE A 8 -9.595 0.280 -3.605 1.00 3.53 C ATOM 159 CG1 ILE A 8 -9.377 1.468 -2.665 1.00 24.13 C ATOM 160 CG2 ILE A 8 -10.472 0.683 -4.781 1.00 11.04 C ATOM 161 CD1 ILE A 8 -10.658 2.019 -2.080 1.00 31.01 C ATOM 0 H ILE A 8 -8.593 -0.711 -1.543 1.00 64.54 H new ATOM 0 HA ILE A 8 -11.184 -0.577 -2.425 1.00 62.21 H new ATOM 0 HB ILE A 8 -8.626 -0.037 -3.991 1.00 3.53 H new ATOM 0 HG12 ILE A 8 -8.718 1.162 -1.852 1.00 24.13 H new ATOM 0 HG13 ILE A 8 -8.865 2.262 -3.209 1.00 24.13 H new ATOM 0 HG21 ILE A 8 -10.010 1.516 -5.311 1.00 11.04 H new ATOM 0 HG22 ILE A 8 -10.581 -0.163 -5.460 1.00 11.04 H new ATOM 0 HG23 ILE A 8 -11.454 0.985 -4.416 1.00 11.04 H new ATOM 0 HD11 ILE A 8 -10.427 2.858 -1.424 1.00 31.01 H new ATOM 0 HD12 ILE A 8 -11.310 2.357 -2.885 1.00 31.01 H new ATOM 0 HD13 ILE A 8 -11.162 1.240 -1.508 1.00 31.01 H new ATOM 173 N GLU A 9 -9.404 -2.810 -4.082 1.00 74.54 N ATOM 174 CA GLU A 9 -9.494 -3.946 -4.993 1.00 54.20 C ATOM 175 C GLU A 9 -10.494 -4.978 -4.479 1.00 12.30 C ATOM 176 O GLU A 9 -11.349 -5.457 -5.225 1.00 5.12 O ATOM 177 CB GLU A 9 -8.120 -4.595 -5.171 1.00 74.30 C ATOM 178 CG GLU A 9 -8.087 -5.662 -6.253 1.00 30.04 C ATOM 179 CD GLU A 9 -6.923 -6.621 -6.091 1.00 14.23 C ATOM 180 OE1 GLU A 9 -5.958 -6.266 -5.382 1.00 62.42 O ATOM 181 OE2 GLU A 9 -6.978 -7.724 -6.672 1.00 20.50 O ATOM 0 H GLU A 9 -8.477 -2.660 -3.685 1.00 74.54 H new ATOM 0 HA GLU A 9 -9.842 -3.578 -5.958 1.00 54.20 H new ATOM 0 HB2 GLU A 9 -7.391 -3.822 -5.412 1.00 74.30 H new ATOM 0 HB3 GLU A 9 -7.812 -5.039 -4.225 1.00 74.30 H new ATOM 0 HG2 GLU A 9 -9.021 -6.223 -6.233 1.00 30.04 H new ATOM 0 HG3 GLU A 9 -8.024 -5.182 -7.230 1.00 30.04 H new ATOM 188 N LYS A 10 -10.381 -5.316 -3.199 1.00 62.01 N ATOM 189 CA LYS A 10 -11.274 -6.290 -2.583 1.00 23.13 C ATOM 190 C LYS A 10 -12.698 -5.749 -2.503 1.00 63.03 C ATOM 191 O LYS A 10 -13.627 -6.336 -3.058 1.00 12.42 O ATOM 192 CB LYS A 10 -10.776 -6.654 -1.182 1.00 52.00 C ATOM 193 CG LYS A 10 -9.720 -7.746 -1.176 1.00 53.22 C ATOM 194 CD LYS A 10 -10.303 -9.087 -1.588 1.00 60.31 C ATOM 195 CE LYS A 10 -9.559 -10.242 -0.936 1.00 23.23 C ATOM 196 NZ LYS A 10 -10.447 -11.046 -0.052 1.00 34.04 N ATOM 0 H LYS A 10 -9.679 -4.929 -2.568 1.00 62.01 H new ATOM 0 HA LYS A 10 -11.279 -7.185 -3.205 1.00 23.13 H new ATOM 0 HB2 LYS A 10 -10.367 -5.762 -0.708 1.00 52.00 H new ATOM 0 HB3 LYS A 10 -11.623 -6.976 -0.577 1.00 52.00 H new ATOM 0 HG2 LYS A 10 -8.912 -7.475 -1.855 1.00 53.22 H new ATOM 0 HG3 LYS A 10 -9.285 -7.828 -0.180 1.00 53.22 H new ATOM 0 HD2 LYS A 10 -11.356 -9.128 -1.310 1.00 60.31 H new ATOM 0 HD3 LYS A 10 -10.255 -9.188 -2.672 1.00 60.31 H new ATOM 0 HE2 LYS A 10 -9.138 -10.885 -1.709 1.00 23.23 H new ATOM 0 HE3 LYS A 10 -8.723 -9.853 -0.354 1.00 23.23 H new ATOM 0 HZ1 LYS A 10 -9.902 -11.823 0.373 1.00 34.04 H new ATOM 0 HZ2 LYS A 10 -10.829 -10.439 0.701 1.00 34.04 H new ATOM 0 HZ3 LYS A 10 -11.231 -11.438 -0.612 1.00 34.04 H new ATOM 210 N VAL A 11 -12.861 -4.626 -1.811 1.00 55.14 N ATOM 211 CA VAL A 11 -14.172 -4.004 -1.662 1.00 22.21 C ATOM 212 C VAL A 11 -14.849 -3.817 -3.015 1.00 3.40 C ATOM 213 O VAL A 11 -16.024 -4.140 -3.183 1.00 64.23 O ATOM 214 CB VAL A 11 -14.068 -2.638 -0.958 1.00 41.04 C ATOM 215 CG1 VAL A 11 -15.441 -1.994 -0.836 1.00 64.24 C ATOM 216 CG2 VAL A 11 -13.418 -2.791 0.409 1.00 74.23 C ATOM 0 H VAL A 11 -12.102 -4.128 -1.345 1.00 55.14 H new ATOM 0 HA VAL A 11 -14.773 -4.675 -1.049 1.00 22.21 H new ATOM 0 HB VAL A 11 -13.439 -1.984 -1.562 1.00 41.04 H new ATOM 0 HG11 VAL A 11 -15.348 -1.030 -0.336 1.00 64.24 H new ATOM 0 HG12 VAL A 11 -15.864 -1.848 -1.830 1.00 64.24 H new ATOM 0 HG13 VAL A 11 -16.097 -2.642 -0.254 1.00 64.24 H new ATOM 0 HG21 VAL A 11 -13.353 -1.816 0.892 1.00 74.23 H new ATOM 0 HG22 VAL A 11 -14.018 -3.461 1.024 1.00 74.23 H new ATOM 0 HG23 VAL A 11 -12.417 -3.205 0.291 1.00 74.23 H new ATOM 226 N GLY A 12 -14.098 -3.291 -3.979 1.00 22.54 N ATOM 227 CA GLY A 12 -14.642 -3.070 -5.306 1.00 11.05 C ATOM 228 C GLY A 12 -15.146 -4.348 -5.946 1.00 63.04 C ATOM 229 O GLY A 12 -16.137 -4.335 -6.676 1.00 60.53 O ATOM 0 H GLY A 12 -13.123 -3.014 -3.864 1.00 22.54 H new ATOM 0 HA2 GLY A 12 -15.459 -2.351 -5.245 1.00 11.05 H new ATOM 0 HA3 GLY A 12 -13.874 -2.627 -5.941 1.00 11.05 H new ATOM 233 N ARG A 13 -14.461 -5.454 -5.675 1.00 23.01 N ATOM 234 CA ARG A 13 -14.843 -6.746 -6.233 1.00 3.42 C ATOM 235 C ARG A 13 -16.008 -7.351 -5.455 1.00 4.21 C ATOM 236 O ARG A 13 -16.893 -7.979 -6.033 1.00 60.41 O ATOM 237 CB ARG A 13 -13.651 -7.705 -6.216 1.00 52.11 C ATOM 238 CG ARG A 13 -12.827 -7.675 -7.493 1.00 2.53 C ATOM 239 CD ARG A 13 -12.135 -9.006 -7.741 1.00 55.13 C ATOM 240 NE ARG A 13 -12.940 -9.892 -8.578 1.00 65.34 N ATOM 241 CZ ARG A 13 -12.616 -11.155 -8.834 1.00 71.01 C ATOM 242 NH1 ARG A 13 -11.511 -11.677 -8.320 1.00 32.02 N ATOM 243 NH2 ARG A 13 -13.399 -11.899 -9.605 1.00 50.44 N ATOM 0 H ARG A 13 -13.639 -5.482 -5.072 1.00 23.01 H new ATOM 0 HA ARG A 13 -15.160 -6.589 -7.264 1.00 3.42 H new ATOM 0 HB2 ARG A 13 -13.007 -7.456 -5.372 1.00 52.11 H new ATOM 0 HB3 ARG A 13 -14.014 -8.720 -6.052 1.00 52.11 H new ATOM 0 HG2 ARG A 13 -13.473 -7.436 -8.338 1.00 2.53 H new ATOM 0 HG3 ARG A 13 -12.081 -6.883 -7.428 1.00 2.53 H new ATOM 0 HD2 ARG A 13 -11.172 -8.830 -8.220 1.00 55.13 H new ATOM 0 HD3 ARG A 13 -11.933 -9.493 -6.787 1.00 55.13 H new ATOM 0 HE ARG A 13 -13.797 -9.521 -8.988 1.00 65.34 H new ATOM 0 HH11 ARG A 13 -10.907 -11.109 -7.726 1.00 32.02 H new ATOM 0 HH12 ARG A 13 -11.265 -12.647 -8.518 1.00 32.02 H new ATOM 0 HH21 ARG A 13 -14.250 -11.501 -10.002 1.00 50.44 H new ATOM 0 HH22 ARG A 13 -13.149 -12.868 -9.801 1.00 50.44 H new ATOM 257 N ASN A 14 -15.999 -7.156 -4.140 1.00 61.51 N ATOM 258 CA ASN A 14 -17.054 -7.684 -3.283 1.00 10.05 C ATOM 259 C ASN A 14 -18.426 -7.217 -3.758 1.00 52.24 C ATOM 260 O ASN A 14 -19.301 -8.029 -4.060 1.00 23.34 O ATOM 261 CB ASN A 14 -16.828 -7.247 -1.834 1.00 33.24 C ATOM 262 CG ASN A 14 -16.269 -8.364 -0.974 1.00 33.15 C ATOM 263 OD1 ASN A 14 -15.170 -8.861 -1.219 1.00 41.20 O ATOM 264 ND2 ASN A 14 -17.026 -8.765 0.041 1.00 14.43 N ATOM 0 H ASN A 14 -15.274 -6.637 -3.645 1.00 61.51 H new ATOM 0 HA ASN A 14 -17.022 -8.772 -3.337 1.00 10.05 H new ATOM 0 HB2 ASN A 14 -16.142 -6.400 -1.816 1.00 33.24 H new ATOM 0 HB3 ASN A 14 -17.771 -6.903 -1.410 1.00 33.24 H new ATOM 0 HD21 ASN A 14 -16.702 -9.513 0.654 1.00 14.43 H new ATOM 0 HD22 ASN A 14 -17.931 -8.325 0.207 1.00 14.43 H new ATOM 271 N VAL A 15 -18.608 -5.902 -3.824 1.00 44.42 N ATOM 272 CA VAL A 15 -19.872 -5.325 -4.265 1.00 33.40 C ATOM 273 C VAL A 15 -20.313 -5.921 -5.598 1.00 3.24 C ATOM 274 O VAL A 15 -21.376 -6.533 -5.694 1.00 71.41 O ATOM 275 CB VAL A 15 -19.773 -3.795 -4.407 1.00 4.11 C ATOM 276 CG1 VAL A 15 -21.132 -3.200 -4.739 1.00 53.42 C ATOM 277 CG2 VAL A 15 -19.207 -3.178 -3.136 1.00 74.24 C ATOM 0 H VAL A 15 -17.895 -5.216 -3.577 1.00 44.42 H new ATOM 0 HA VAL A 15 -20.612 -5.564 -3.501 1.00 33.40 H new ATOM 0 HB VAL A 15 -19.094 -3.567 -5.228 1.00 4.11 H new ATOM 0 HG11 VAL A 15 -21.042 -2.118 -4.835 1.00 53.42 H new ATOM 0 HG12 VAL A 15 -21.493 -3.619 -5.678 1.00 53.42 H new ATOM 0 HG13 VAL A 15 -21.837 -3.436 -3.942 1.00 53.42 H new ATOM 0 HG21 VAL A 15 -19.144 -2.096 -3.254 1.00 74.24 H new ATOM 0 HG22 VAL A 15 -19.859 -3.414 -2.295 1.00 74.24 H new ATOM 0 HG23 VAL A 15 -18.212 -3.581 -2.948 1.00 74.24 H new ATOM 287 N ARG A 16 -19.488 -5.737 -6.623 1.00 45.10 N ATOM 288 CA ARG A 16 -19.792 -6.255 -7.951 1.00 71.42 C ATOM 289 C ARG A 16 -20.140 -7.740 -7.889 1.00 0.23 C ATOM 290 O ARG A 16 -21.218 -8.153 -8.315 1.00 34.31 O ATOM 291 CB ARG A 16 -18.605 -6.038 -8.891 1.00 50.03 C ATOM 292 CG ARG A 16 -18.934 -5.175 -10.098 1.00 52.14 C ATOM 293 CD ARG A 16 -17.776 -5.129 -11.083 1.00 73.31 C ATOM 294 NE ARG A 16 -17.777 -6.280 -11.982 1.00 24.30 N ATOM 295 CZ ARG A 16 -16.816 -6.522 -12.867 1.00 22.02 C ATOM 296 NH1 ARG A 16 -15.783 -5.698 -12.970 1.00 44.53 N ATOM 297 NH2 ARG A 16 -16.887 -7.591 -13.650 1.00 0.30 N ATOM 0 H ARG A 16 -18.604 -5.233 -6.559 1.00 45.10 H new ATOM 0 HA ARG A 16 -20.655 -5.712 -8.336 1.00 71.42 H new ATOM 0 HB2 ARG A 16 -17.791 -5.574 -8.334 1.00 50.03 H new ATOM 0 HB3 ARG A 16 -18.243 -7.007 -9.235 1.00 50.03 H new ATOM 0 HG2 ARG A 16 -19.821 -5.567 -10.596 1.00 52.14 H new ATOM 0 HG3 ARG A 16 -19.174 -4.164 -9.769 1.00 52.14 H new ATOM 0 HD2 ARG A 16 -17.834 -4.211 -11.669 1.00 73.31 H new ATOM 0 HD3 ARG A 16 -16.834 -5.098 -10.535 1.00 73.31 H new ATOM 0 HE ARG A 16 -18.558 -6.934 -11.927 1.00 24.30 H new ATOM 0 HH11 ARG A 16 -15.724 -4.876 -12.369 1.00 44.53 H new ATOM 0 HH12 ARG A 16 -15.047 -5.886 -13.650 1.00 44.53 H new ATOM 0 HH21 ARG A 16 -17.680 -8.228 -13.573 1.00 0.30 H new ATOM 0 HH22 ARG A 16 -16.149 -7.776 -14.329 1.00 0.30 H new ATOM 311 N ASP A 17 -19.220 -8.536 -7.356 1.00 3.34 N ATOM 312 CA ASP A 17 -19.429 -9.974 -7.237 1.00 21.12 C ATOM 313 C ASP A 17 -20.760 -10.275 -6.556 1.00 34.11 C ATOM 314 O ASP A 17 -21.490 -11.177 -6.967 1.00 44.40 O ATOM 315 CB ASP A 17 -18.284 -10.614 -6.451 1.00 23.33 C ATOM 316 CG ASP A 17 -18.343 -12.129 -6.471 1.00 33.00 C ATOM 317 OD1 ASP A 17 -19.159 -12.700 -5.718 1.00 22.34 O ATOM 318 OD2 ASP A 17 -17.574 -12.743 -7.240 1.00 20.33 O ATOM 0 H ASP A 17 -18.322 -8.210 -6.999 1.00 3.34 H new ATOM 0 HA ASP A 17 -19.451 -10.397 -8.241 1.00 21.12 H new ATOM 0 HB2 ASP A 17 -17.332 -10.285 -6.868 1.00 23.33 H new ATOM 0 HB3 ASP A 17 -18.317 -10.266 -5.419 1.00 23.33 H new ATOM 323 N GLY A 18 -21.070 -9.514 -5.511 1.00 14.14 N ATOM 324 CA GLY A 18 -22.313 -9.716 -4.789 1.00 10.34 C ATOM 325 C GLY A 18 -23.529 -9.337 -5.611 1.00 31.25 C ATOM 326 O GLY A 18 -24.542 -10.037 -5.591 1.00 20.32 O ATOM 0 H GLY A 18 -20.483 -8.761 -5.151 1.00 14.14 H new ATOM 0 HA2 GLY A 18 -22.391 -10.762 -4.491 1.00 10.34 H new ATOM 0 HA3 GLY A 18 -22.298 -9.124 -3.874 1.00 10.34 H new ATOM 330 N ILE A 19 -23.431 -8.227 -6.333 1.00 45.33 N ATOM 331 CA ILE A 19 -24.532 -7.757 -7.165 1.00 4.32 C ATOM 332 C ILE A 19 -24.764 -8.690 -8.348 1.00 34.31 C ATOM 333 O ILE A 19 -25.905 -8.936 -8.743 1.00 3.25 O ATOM 334 CB ILE A 19 -24.271 -6.333 -7.692 1.00 32.30 C ATOM 335 CG1 ILE A 19 -24.096 -5.358 -6.526 1.00 21.20 C ATOM 336 CG2 ILE A 19 -25.410 -5.887 -8.596 1.00 52.23 C ATOM 337 CD1 ILE A 19 -23.314 -4.115 -6.890 1.00 31.41 C ATOM 0 H ILE A 19 -22.600 -7.636 -6.359 1.00 45.33 H new ATOM 0 HA ILE A 19 -25.421 -7.745 -6.535 1.00 4.32 H new ATOM 0 HB ILE A 19 -23.351 -6.340 -8.276 1.00 32.30 H new ATOM 0 HG12 ILE A 19 -25.079 -5.064 -6.158 1.00 21.20 H new ATOM 0 HG13 ILE A 19 -23.589 -5.870 -5.708 1.00 21.20 H new ATOM 0 HG21 ILE A 19 -25.212 -4.879 -8.961 1.00 52.23 H new ATOM 0 HG22 ILE A 19 -25.492 -6.570 -9.442 1.00 52.23 H new ATOM 0 HG23 ILE A 19 -26.344 -5.892 -8.034 1.00 52.23 H new ATOM 0 HD11 ILE A 19 -23.229 -3.470 -6.016 1.00 31.41 H new ATOM 0 HD12 ILE A 19 -22.318 -4.398 -7.230 1.00 31.41 H new ATOM 0 HD13 ILE A 19 -23.831 -3.580 -7.687 1.00 31.41 H new ATOM 349 N ILE A 20 -23.677 -9.209 -8.908 1.00 41.21 N ATOM 350 CA ILE A 20 -23.763 -10.118 -10.044 1.00 50.02 C ATOM 351 C ILE A 20 -24.190 -11.513 -9.601 1.00 15.12 C ATOM 352 O ILE A 20 -25.091 -12.114 -10.187 1.00 30.33 O ATOM 353 CB ILE A 20 -22.418 -10.218 -10.789 1.00 15.34 C ATOM 354 CG1 ILE A 20 -21.996 -8.843 -11.310 1.00 52.42 C ATOM 355 CG2 ILE A 20 -22.519 -11.216 -11.932 1.00 40.02 C ATOM 356 CD1 ILE A 20 -22.933 -8.279 -12.355 1.00 53.12 C ATOM 0 H ILE A 20 -22.726 -9.016 -8.594 1.00 41.21 H new ATOM 0 HA ILE A 20 -24.514 -9.708 -10.719 1.00 50.02 H new ATOM 0 HB ILE A 20 -21.658 -10.570 -10.092 1.00 15.34 H new ATOM 0 HG12 ILE A 20 -21.939 -8.148 -10.472 1.00 52.42 H new ATOM 0 HG13 ILE A 20 -20.994 -8.916 -11.733 1.00 52.42 H new ATOM 0 HG21 ILE A 20 -21.561 -11.276 -12.449 1.00 40.02 H new ATOM 0 HG22 ILE A 20 -22.779 -12.198 -11.536 1.00 40.02 H new ATOM 0 HG23 ILE A 20 -23.289 -10.891 -12.632 1.00 40.02 H new ATOM 0 HD11 ILE A 20 -22.572 -7.303 -12.679 1.00 53.12 H new ATOM 0 HD12 ILE A 20 -22.972 -8.953 -13.210 1.00 53.12 H new ATOM 0 HD13 ILE A 20 -23.931 -8.174 -11.930 1.00 53.12 H new ATOM 368 N LYS A 21 -23.540 -12.022 -8.561 1.00 24.45 N ATOM 369 CA LYS A 21 -23.853 -13.346 -8.035 1.00 11.34 C ATOM 370 C LYS A 21 -25.270 -13.385 -7.471 1.00 22.53 C ATOM 371 O LYS A 21 -26.146 -14.056 -8.016 1.00 12.23 O ATOM 372 CB LYS A 21 -22.849 -13.736 -6.948 1.00 30.14 C ATOM 373 CG LYS A 21 -23.001 -15.169 -6.466 1.00 4.42 C ATOM 374 CD LYS A 21 -21.658 -15.779 -6.099 1.00 51.51 C ATOM 375 CE LYS A 21 -21.336 -16.983 -6.971 1.00 12.32 C ATOM 376 NZ LYS A 21 -20.514 -17.990 -6.244 1.00 51.42 N ATOM 0 H LYS A 21 -22.792 -11.538 -8.065 1.00 24.45 H new ATOM 0 HA LYS A 21 -23.787 -14.061 -8.855 1.00 11.34 H new ATOM 0 HB2 LYS A 21 -21.838 -13.596 -7.331 1.00 30.14 H new ATOM 0 HB3 LYS A 21 -22.965 -13.062 -6.099 1.00 30.14 H new ATOM 0 HG2 LYS A 21 -23.662 -15.194 -5.600 1.00 4.42 H new ATOM 0 HG3 LYS A 21 -23.473 -15.768 -7.245 1.00 4.42 H new ATOM 0 HD2 LYS A 21 -20.874 -15.029 -6.208 1.00 51.51 H new ATOM 0 HD3 LYS A 21 -21.668 -16.079 -5.051 1.00 51.51 H new ATOM 0 HE2 LYS A 21 -22.264 -17.446 -7.308 1.00 12.32 H new ATOM 0 HE3 LYS A 21 -20.802 -16.654 -7.862 1.00 12.32 H new ATOM 0 HZ1 LYS A 21 -20.316 -18.795 -6.872 1.00 51.42 H new ATOM 0 HZ2 LYS A 21 -19.618 -17.556 -5.944 1.00 51.42 H new ATOM 0 HZ3 LYS A 21 -21.034 -18.324 -5.407 1.00 51.42 H new ATOM 390 N ALA A 22 -25.487 -12.662 -6.377 1.00 71.21 N ATOM 391 CA ALA A 22 -26.798 -12.612 -5.742 1.00 72.42 C ATOM 392 C ALA A 22 -27.616 -11.436 -6.263 1.00 53.15 C ATOM 393 O ALA A 22 -28.535 -11.612 -7.063 1.00 10.45 O ATOM 394 CB ALA A 22 -26.650 -12.526 -4.230 1.00 45.24 C ATOM 0 H ALA A 22 -24.772 -12.103 -5.912 1.00 71.21 H new ATOM 0 HA ALA A 22 -27.330 -13.530 -5.992 1.00 72.42 H new ATOM 0 HB1 ALA A 22 -27.637 -12.489 -3.769 1.00 45.24 H new ATOM 0 HB2 ALA A 22 -26.112 -13.402 -3.867 1.00 45.24 H new ATOM 0 HB3 ALA A 22 -26.094 -11.625 -3.969 1.00 45.24 H new ATOM 400 N GLY A 23 -27.276 -10.235 -5.805 1.00 14.02 N ATOM 401 CA GLY A 23 -27.990 -9.047 -6.235 1.00 73.13 C ATOM 402 C GLY A 23 -27.927 -7.930 -5.213 1.00 32.25 C ATOM 403 O GLY A 23 -27.240 -6.926 -5.400 1.00 1.01 O ATOM 0 H GLY A 23 -26.519 -10.064 -5.144 1.00 14.02 H new ATOM 0 HA2 GLY A 23 -27.570 -8.696 -7.178 1.00 73.13 H new ATOM 0 HA3 GLY A 23 -29.032 -9.303 -6.425 1.00 73.13 H new ATOM 407 N PRO A 24 -28.659 -8.098 -4.101 1.00 54.03 N ATOM 408 CA PRO A 24 -28.701 -7.105 -3.023 1.00 73.35 C ATOM 409 C PRO A 24 -27.384 -7.022 -2.261 1.00 23.15 C ATOM 410 O PRO A 24 -27.107 -7.846 -1.390 1.00 21.24 O ATOM 411 CB PRO A 24 -29.817 -7.620 -2.110 1.00 65.31 C ATOM 412 CG PRO A 24 -29.867 -9.087 -2.364 1.00 22.41 C ATOM 413 CD PRO A 24 -29.502 -9.270 -3.811 1.00 74.13 C ATOM 0 HA PRO A 24 -28.873 -6.098 -3.402 1.00 73.35 H new ATOM 0 HB2 PRO A 24 -29.602 -7.407 -1.063 1.00 65.31 H new ATOM 0 HB3 PRO A 24 -30.770 -7.145 -2.343 1.00 65.31 H new ATOM 0 HG2 PRO A 24 -29.171 -9.619 -1.716 1.00 22.41 H new ATOM 0 HG3 PRO A 24 -30.861 -9.485 -2.159 1.00 22.41 H new ATOM 0 HD2 PRO A 24 -28.963 -10.203 -3.975 1.00 74.13 H new ATOM 0 HD3 PRO A 24 -30.386 -9.297 -4.448 1.00 74.13 H new ATOM 421 N ALA A 25 -26.575 -6.021 -2.593 1.00 61.41 N ATOM 422 CA ALA A 25 -25.287 -5.829 -1.937 1.00 75.51 C ATOM 423 C ALA A 25 -25.444 -5.045 -0.639 1.00 34.54 C ATOM 424 O ALA A 25 -24.706 -5.262 0.322 1.00 5.41 O ATOM 425 CB ALA A 25 -24.320 -5.118 -2.872 1.00 22.45 C ATOM 0 H ALA A 25 -26.789 -5.330 -3.313 1.00 61.41 H new ATOM 0 HA ALA A 25 -24.882 -6.811 -1.691 1.00 75.51 H new ATOM 0 HB1 ALA A 25 -23.362 -4.981 -2.370 1.00 22.45 H new ATOM 0 HB2 ALA A 25 -24.176 -5.718 -3.771 1.00 22.45 H new ATOM 0 HB3 ALA A 25 -24.728 -4.145 -3.146 1.00 22.45 H new ATOM 431 N VAL A 26 -26.411 -4.133 -0.617 1.00 32.45 N ATOM 432 CA VAL A 26 -26.665 -3.317 0.565 1.00 72.15 C ATOM 433 C VAL A 26 -26.816 -4.184 1.810 1.00 42.24 C ATOM 434 O VAL A 26 -26.354 -3.821 2.891 1.00 44.43 O ATOM 435 CB VAL A 26 -27.934 -2.460 0.392 1.00 24.34 C ATOM 436 CG1 VAL A 26 -29.129 -3.338 0.055 1.00 34.05 C ATOM 437 CG2 VAL A 26 -28.198 -1.643 1.648 1.00 75.21 C ATOM 0 H VAL A 26 -27.031 -3.941 -1.404 1.00 32.45 H new ATOM 0 HA VAL A 26 -25.804 -2.659 0.687 1.00 72.15 H new ATOM 0 HB VAL A 26 -27.777 -1.770 -0.437 1.00 24.34 H new ATOM 0 HG11 VAL A 26 -30.016 -2.716 -0.063 1.00 34.05 H new ATOM 0 HG12 VAL A 26 -28.936 -3.875 -0.874 1.00 34.05 H new ATOM 0 HG13 VAL A 26 -29.293 -4.054 0.860 1.00 34.05 H new ATOM 0 HG21 VAL A 26 -29.098 -1.043 1.510 1.00 75.21 H new ATOM 0 HG22 VAL A 26 -28.336 -2.314 2.496 1.00 75.21 H new ATOM 0 HG23 VAL A 26 -27.350 -0.986 1.840 1.00 75.21 H new ATOM 447 N ALA A 27 -27.465 -5.332 1.649 1.00 32.25 N ATOM 448 CA ALA A 27 -27.675 -6.253 2.760 1.00 3.31 C ATOM 449 C ALA A 27 -26.360 -6.883 3.206 1.00 23.10 C ATOM 450 O ALA A 27 -25.970 -6.774 4.369 1.00 73.42 O ATOM 451 CB ALA A 27 -28.674 -7.332 2.370 1.00 40.30 C ATOM 0 H ALA A 27 -27.855 -5.647 0.760 1.00 32.25 H new ATOM 0 HA ALA A 27 -28.079 -5.686 3.599 1.00 3.31 H new ATOM 0 HB1 ALA A 27 -28.821 -8.012 3.209 1.00 40.30 H new ATOM 0 HB2 ALA A 27 -29.625 -6.869 2.107 1.00 40.30 H new ATOM 0 HB3 ALA A 27 -28.293 -7.889 1.514 1.00 40.30 H new ATOM 457 N VAL A 28 -25.679 -7.543 2.274 1.00 33.43 N ATOM 458 CA VAL A 28 -24.407 -8.191 2.572 1.00 74.34 C ATOM 459 C VAL A 28 -23.406 -7.197 3.149 1.00 60.23 C ATOM 460 O VAL A 28 -22.620 -7.534 4.034 1.00 21.41 O ATOM 461 CB VAL A 28 -23.802 -8.842 1.314 1.00 45.01 C ATOM 462 CG1 VAL A 28 -22.489 -9.534 1.650 1.00 52.21 C ATOM 463 CG2 VAL A 28 -24.787 -9.822 0.694 1.00 3.51 C ATOM 0 H VAL A 28 -25.987 -7.643 1.307 1.00 33.43 H new ATOM 0 HA VAL A 28 -24.611 -8.966 3.311 1.00 74.34 H new ATOM 0 HB VAL A 28 -23.597 -8.059 0.584 1.00 45.01 H new ATOM 0 HG11 VAL A 28 -22.076 -9.988 0.749 1.00 52.21 H new ATOM 0 HG12 VAL A 28 -21.783 -8.803 2.044 1.00 52.21 H new ATOM 0 HG13 VAL A 28 -22.666 -10.307 2.398 1.00 52.21 H new ATOM 0 HG21 VAL A 28 -24.342 -10.272 -0.194 1.00 3.51 H new ATOM 0 HG22 VAL A 28 -25.026 -10.603 1.416 1.00 3.51 H new ATOM 0 HG23 VAL A 28 -25.699 -9.294 0.415 1.00 3.51 H new ATOM 473 N VAL A 29 -23.440 -5.969 2.641 1.00 12.04 N ATOM 474 CA VAL A 29 -22.537 -4.924 3.107 1.00 4.14 C ATOM 475 C VAL A 29 -22.960 -4.401 4.476 1.00 63.53 C ATOM 476 O VAL A 29 -22.180 -4.420 5.427 1.00 32.23 O ATOM 477 CB VAL A 29 -22.481 -3.747 2.115 1.00 4.15 C ATOM 478 CG1 VAL A 29 -21.560 -2.653 2.635 1.00 20.55 C ATOM 479 CG2 VAL A 29 -22.030 -4.227 0.744 1.00 31.33 C ATOM 0 H VAL A 29 -24.083 -5.674 1.907 1.00 12.04 H new ATOM 0 HA VAL A 29 -21.547 -5.373 3.183 1.00 4.14 H new ATOM 0 HB VAL A 29 -23.483 -3.329 2.017 1.00 4.15 H new ATOM 0 HG11 VAL A 29 -21.533 -1.830 1.921 1.00 20.55 H new ATOM 0 HG12 VAL A 29 -21.931 -2.290 3.593 1.00 20.55 H new ATOM 0 HG13 VAL A 29 -20.555 -3.054 2.764 1.00 20.55 H new ATOM 0 HG21 VAL A 29 -21.996 -3.382 0.056 1.00 31.33 H new ATOM 0 HG22 VAL A 29 -21.038 -4.671 0.822 1.00 31.33 H new ATOM 0 HG23 VAL A 29 -22.733 -4.972 0.370 1.00 31.33 H new ATOM 489 N GLY A 30 -24.202 -3.935 4.567 1.00 24.21 N ATOM 490 CA GLY A 30 -24.708 -3.414 5.823 1.00 22.14 C ATOM 491 C GLY A 30 -24.617 -4.425 6.949 1.00 74.40 C ATOM 492 O GLY A 30 -24.104 -4.121 8.025 1.00 0.41 O ATOM 0 H GLY A 30 -24.866 -3.909 3.793 1.00 24.21 H new ATOM 0 HA2 GLY A 30 -24.146 -2.520 6.095 1.00 22.14 H new ATOM 0 HA3 GLY A 30 -25.747 -3.110 5.695 1.00 22.14 H new ATOM 496 N GLN A 31 -25.119 -5.631 6.701 1.00 62.01 N ATOM 497 CA GLN A 31 -25.094 -6.689 7.704 1.00 71.22 C ATOM 498 C GLN A 31 -23.668 -6.966 8.168 1.00 0.33 C ATOM 499 O GLN A 31 -23.349 -6.816 9.347 1.00 1.03 O ATOM 500 CB GLN A 31 -25.717 -7.968 7.142 1.00 71.23 C ATOM 501 CG GLN A 31 -27.199 -7.836 6.827 1.00 25.15 C ATOM 502 CD GLN A 31 -28.081 -8.278 7.978 1.00 1.34 C ATOM 503 OE1 GLN A 31 -28.481 -7.468 8.815 1.00 12.21 O ATOM 504 NE2 GLN A 31 -28.389 -9.568 8.027 1.00 74.42 N ATOM 0 H GLN A 31 -25.547 -5.899 5.815 1.00 62.01 H new ATOM 0 HA GLN A 31 -25.677 -6.355 8.562 1.00 71.22 H new ATOM 0 HB2 GLN A 31 -25.185 -8.253 6.234 1.00 71.23 H new ATOM 0 HB3 GLN A 31 -25.577 -8.776 7.860 1.00 71.23 H new ATOM 0 HG2 GLN A 31 -27.423 -6.798 6.580 1.00 25.15 H new ATOM 0 HG3 GLN A 31 -27.434 -8.432 5.945 1.00 25.15 H new ATOM 0 HE21 GLN A 31 -28.036 -10.204 7.312 1.00 74.42 H new ATOM 0 HE22 GLN A 31 -28.979 -9.923 8.779 1.00 74.42 H new ATOM 513 N ALA A 32 -22.814 -7.370 7.233 1.00 35.54 N ATOM 514 CA ALA A 32 -21.422 -7.666 7.547 1.00 70.41 C ATOM 515 C ALA A 32 -20.756 -6.490 8.252 1.00 40.42 C ATOM 516 O ALA A 32 -20.103 -6.659 9.281 1.00 65.43 O ATOM 517 CB ALA A 32 -20.660 -8.025 6.279 1.00 14.44 C ATOM 0 H ALA A 32 -23.062 -7.500 6.252 1.00 35.54 H new ATOM 0 HA ALA A 32 -21.402 -8.520 8.224 1.00 70.41 H new ATOM 0 HB1 ALA A 32 -19.622 -8.244 6.528 1.00 14.44 H new ATOM 0 HB2 ALA A 32 -21.115 -8.901 5.817 1.00 14.44 H new ATOM 0 HB3 ALA A 32 -20.697 -7.187 5.583 1.00 14.44 H new ATOM 523 N ALA A 33 -20.926 -5.297 7.691 1.00 44.20 N ATOM 524 CA ALA A 33 -20.342 -4.092 8.267 1.00 42.20 C ATOM 525 C ALA A 33 -20.823 -3.879 9.698 1.00 24.04 C ATOM 526 O ALA A 33 -20.030 -3.583 10.594 1.00 54.25 O ATOM 527 CB ALA A 33 -20.678 -2.881 7.410 1.00 51.43 C ATOM 0 H ALA A 33 -21.463 -5.139 6.838 1.00 44.20 H new ATOM 0 HA ALA A 33 -19.260 -4.218 8.290 1.00 42.20 H new ATOM 0 HB1 ALA A 33 -20.236 -1.988 7.852 1.00 51.43 H new ATOM 0 HB2 ALA A 33 -20.280 -3.024 6.406 1.00 51.43 H new ATOM 0 HB3 ALA A 33 -21.760 -2.761 7.357 1.00 51.43 H new ATOM 533 N THR A 34 -22.127 -4.031 9.909 1.00 64.23 N ATOM 534 CA THR A 34 -22.713 -3.854 11.231 1.00 53.21 C ATOM 535 C THR A 34 -22.228 -4.929 12.196 1.00 35.33 C ATOM 536 O THR A 34 -21.955 -4.652 13.364 1.00 1.11 O ATOM 537 CB THR A 34 -24.252 -3.889 11.172 1.00 51.20 C ATOM 538 OG1 THR A 34 -24.734 -2.841 10.323 1.00 2.11 O ATOM 539 CG2 THR A 34 -24.850 -3.737 12.562 1.00 35.44 C ATOM 0 H THR A 34 -22.797 -4.276 9.180 1.00 64.23 H new ATOM 0 HA THR A 34 -22.393 -2.876 11.591 1.00 53.21 H new ATOM 0 HB THR A 34 -24.556 -4.854 10.766 1.00 51.20 H new ATOM 0 HG1 THR A 34 -24.488 -3.033 9.394 1.00 2.11 H new ATOM 0 HG21 THR A 34 -25.938 -3.765 12.495 1.00 35.44 H new ATOM 0 HG22 THR A 34 -24.505 -4.552 13.198 1.00 35.44 H new ATOM 0 HG23 THR A 34 -24.537 -2.785 12.991 1.00 35.44 H new ATOM 547 N VAL A 35 -22.123 -6.159 11.701 1.00 14.53 N ATOM 548 CA VAL A 35 -21.669 -7.276 12.520 1.00 34.22 C ATOM 549 C VAL A 35 -20.197 -7.127 12.885 1.00 23.42 C ATOM 550 O VAL A 35 -19.795 -7.406 14.015 1.00 64.21 O ATOM 551 CB VAL A 35 -21.875 -8.621 11.798 1.00 44.01 C ATOM 552 CG1 VAL A 35 -21.365 -9.770 12.654 1.00 31.40 C ATOM 553 CG2 VAL A 35 -23.341 -8.817 11.445 1.00 33.42 C ATOM 0 H VAL A 35 -22.346 -6.406 10.737 1.00 14.53 H new ATOM 0 HA VAL A 35 -22.268 -7.266 13.430 1.00 34.22 H new ATOM 0 HB VAL A 35 -21.301 -8.608 10.871 1.00 44.01 H new ATOM 0 HG11 VAL A 35 -21.519 -10.712 12.128 1.00 31.40 H new ATOM 0 HG12 VAL A 35 -20.302 -9.633 12.850 1.00 31.40 H new ATOM 0 HG13 VAL A 35 -21.909 -9.789 13.599 1.00 31.40 H new ATOM 0 HG21 VAL A 35 -23.468 -9.772 10.936 1.00 33.42 H new ATOM 0 HG22 VAL A 35 -23.939 -8.810 12.356 1.00 33.42 H new ATOM 0 HG23 VAL A 35 -23.668 -8.010 10.790 1.00 33.42 H new ATOM 563 N VAL A 36 -19.395 -6.685 11.921 1.00 34.41 N ATOM 564 CA VAL A 36 -17.966 -6.498 12.141 1.00 53.41 C ATOM 565 C VAL A 36 -17.700 -5.270 13.005 1.00 41.25 C ATOM 566 O VAL A 36 -17.016 -5.351 14.025 1.00 62.10 O ATOM 567 CB VAL A 36 -17.208 -6.349 10.808 1.00 13.43 C ATOM 568 CG1 VAL A 36 -15.725 -6.122 11.060 1.00 74.22 C ATOM 569 CG2 VAL A 36 -17.428 -7.572 9.931 1.00 11.03 C ATOM 0 H VAL A 36 -19.711 -6.450 10.980 1.00 34.41 H new ATOM 0 HA VAL A 36 -17.605 -7.387 12.658 1.00 53.41 H new ATOM 0 HB VAL A 36 -17.600 -5.478 10.282 1.00 13.43 H new ATOM 0 HG11 VAL A 36 -15.206 -6.019 10.107 1.00 74.22 H new ATOM 0 HG12 VAL A 36 -15.591 -5.213 11.647 1.00 74.22 H new ATOM 0 HG13 VAL A 36 -15.315 -6.971 11.607 1.00 74.22 H new ATOM 0 HG21 VAL A 36 -16.885 -7.450 8.994 1.00 11.03 H new ATOM 0 HG22 VAL A 36 -17.064 -8.460 10.448 1.00 11.03 H new ATOM 0 HG23 VAL A 36 -18.492 -7.684 9.723 1.00 11.03 H new ATOM 579 N LYS A 37 -18.245 -4.132 12.589 1.00 12.42 N ATOM 580 CA LYS A 37 -18.069 -2.885 13.325 1.00 70.11 C ATOM 581 C LYS A 37 -19.141 -2.731 14.399 1.00 53.23 C ATOM 582 O LYS A 37 -18.861 -2.855 15.591 1.00 15.44 O ATOM 583 CB LYS A 37 -18.116 -1.693 12.367 1.00 52.41 C ATOM 584 CG LYS A 37 -17.717 -0.377 13.013 1.00 32.21 C ATOM 585 CD LYS A 37 -16.973 0.520 12.038 1.00 13.01 C ATOM 586 CE LYS A 37 -17.167 1.991 12.375 1.00 24.52 C ATOM 587 NZ LYS A 37 -18.408 2.541 11.764 1.00 11.13 N ATOM 0 H LYS A 37 -18.813 -4.047 11.746 1.00 12.42 H new ATOM 0 HA LYS A 37 -17.094 -2.914 13.812 1.00 70.11 H new ATOM 0 HB2 LYS A 37 -17.454 -1.889 11.523 1.00 52.41 H new ATOM 0 HB3 LYS A 37 -19.125 -1.600 11.966 1.00 52.41 H new ATOM 0 HG2 LYS A 37 -18.608 0.137 13.374 1.00 32.21 H new ATOM 0 HG3 LYS A 37 -17.088 -0.573 13.881 1.00 32.21 H new ATOM 0 HD2 LYS A 37 -15.910 0.278 12.058 1.00 13.01 H new ATOM 0 HD3 LYS A 37 -17.325 0.328 11.024 1.00 13.01 H new ATOM 0 HE2 LYS A 37 -17.210 2.113 13.457 1.00 24.52 H new ATOM 0 HE3 LYS A 37 -16.306 2.560 12.024 1.00 24.52 H new ATOM 0 HZ1 LYS A 37 -18.504 3.545 12.017 1.00 11.13 H new ATOM 0 HZ2 LYS A 37 -18.356 2.448 10.729 1.00 11.13 H new ATOM 0 HZ3 LYS A 37 -19.232 2.015 12.118 1.00 11.13 H new HETATM 601 N NH2 A 38 -20.369 -2.461 13.968 1.00 75.32 N TER 603 NH2 A 38