USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 349 hydrogens (2 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 Set 1.1: A 6 LYS NZ :NH3+ -143:sc= 0 (180deg=0) USER MOD Set 1.2: A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ -121:sc= -2.6! (180deg=-6.23!) USER MOD Single : A 1 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0969) USER MOD Single : A 3 LYS NZ :NH3+ -148:sc= -0.248 (180deg=-1.25!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= -0.045 (180deg=-0.265) USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0192) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0715 (180deg=-0.739) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -5.408 16.244 -2.638 1.00 0.00 N ATOM 2 CA LYS A 1 -6.340 17.003 -3.520 1.00 0.00 C ATOM 3 C LYS A 1 -7.674 16.259 -3.610 1.00 0.00 C ATOM 4 O LYS A 1 -8.158 15.962 -4.683 1.00 0.00 O ATOM 5 CB LYS A 1 -5.730 17.127 -4.919 1.00 0.00 C ATOM 6 CG LYS A 1 -5.742 18.594 -5.352 1.00 0.00 C ATOM 7 CD LYS A 1 -6.801 18.799 -6.438 1.00 0.00 C ATOM 8 CE LYS A 1 -7.443 20.178 -6.273 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.411 21.234 -6.473 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.118 16.845 -1.840 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.887 15.395 -2.276 1.00 0.00 H new ATOM 0 H3 LYS A 1 -4.568 15.962 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.505 17.998 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -4.709 16.746 -4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.295 16.523 -5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.955 19.235 -4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.760 18.881 -5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.346 18.714 -7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.562 18.022 -6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.251 20.303 -6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.884 20.269 -5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.876 22.158 -6.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.776 21.260 -5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.859 21.023 -7.329 1.00 0.00 H new ATOM 25 N TRP A 2 -8.271 15.956 -2.488 1.00 0.00 N ATOM 26 CA TRP A 2 -9.573 15.231 -2.504 1.00 0.00 C ATOM 27 C TRP A 2 -9.414 13.920 -3.266 1.00 0.00 C ATOM 28 O TRP A 2 -9.190 12.872 -2.691 1.00 0.00 O ATOM 29 CB TRP A 2 -10.629 16.098 -3.194 1.00 0.00 C ATOM 30 CG TRP A 2 -11.867 15.291 -3.422 1.00 0.00 C ATOM 31 CD1 TRP A 2 -12.610 14.716 -2.449 1.00 0.00 C ATOM 32 CD2 TRP A 2 -12.518 14.961 -4.683 1.00 0.00 C ATOM 33 NE1 TRP A 2 -13.675 14.054 -3.032 1.00 0.00 N ATOM 34 CE2 TRP A 2 -13.662 14.175 -4.408 1.00 0.00 C ATOM 35 CE3 TRP A 2 -12.229 15.263 -6.026 1.00 0.00 C ATOM 36 CZ2 TRP A 2 -14.490 13.707 -5.429 1.00 0.00 C ATOM 37 CZ3 TRP A 2 -13.060 14.793 -7.056 1.00 0.00 C ATOM 38 CH2 TRP A 2 -14.188 14.016 -6.757 1.00 0.00 C ATOM 0 H TRP A 2 -7.912 16.180 -1.560 1.00 0.00 H new ATOM 0 HA TRP A 2 -9.886 15.021 -1.481 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -10.858 16.969 -2.579 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -10.245 16.470 -4.144 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -12.405 14.766 -1.390 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -14.384 13.539 -2.510 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -11.362 15.860 -6.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -15.359 13.110 -5.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -12.829 15.031 -8.084 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -14.823 13.657 -7.553 1.00 0.00 H new ATOM 49 N LYS A 3 -9.525 13.976 -4.557 1.00 0.00 N ATOM 50 CA LYS A 3 -9.380 12.741 -5.378 1.00 0.00 C ATOM 51 C LYS A 3 -8.023 12.100 -5.092 1.00 0.00 C ATOM 52 O LYS A 3 -7.834 10.913 -5.269 1.00 0.00 O ATOM 53 CB LYS A 3 -9.474 13.100 -6.864 1.00 0.00 C ATOM 54 CG LYS A 3 -8.798 14.450 -7.109 1.00 0.00 C ATOM 55 CD LYS A 3 -8.493 14.607 -8.599 1.00 0.00 C ATOM 56 CE LYS A 3 -8.209 16.078 -8.910 1.00 0.00 C ATOM 57 NZ LYS A 3 -9.410 16.897 -8.578 1.00 0.00 N ATOM 0 H LYS A 3 -9.711 14.828 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.175 12.040 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.995 12.328 -7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.518 13.143 -7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.446 15.259 -6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.877 14.518 -6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.634 13.994 -8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.337 14.255 -9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.350 16.423 -8.335 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.955 16.196 -9.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.469 17.707 -9.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.265 16.313 -8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.335 17.243 -7.600 1.00 0.00 H new ATOM 71 N VAL A 4 -7.077 12.878 -4.650 1.00 0.00 N ATOM 72 CA VAL A 4 -5.729 12.320 -4.349 1.00 0.00 C ATOM 73 C VAL A 4 -5.832 11.338 -3.182 1.00 0.00 C ATOM 74 O VAL A 4 -5.099 10.372 -3.099 1.00 0.00 O ATOM 75 CB VAL A 4 -4.774 13.456 -3.978 1.00 0.00 C ATOM 76 CG1 VAL A 4 -3.471 12.871 -3.432 1.00 0.00 C ATOM 77 CG2 VAL A 4 -4.473 14.294 -5.223 1.00 0.00 C ATOM 0 H VAL A 4 -7.178 13.879 -4.483 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.348 11.801 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 4 -5.236 14.085 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.791 13.681 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.684 12.273 -2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.008 12.242 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.793 15.104 -4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.011 13.664 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.401 14.712 -5.613 1.00 0.00 H new ATOM 87 N PHE A 5 -6.739 11.581 -2.284 1.00 0.00 N ATOM 88 CA PHE A 5 -6.904 10.668 -1.116 1.00 0.00 C ATOM 89 C PHE A 5 -7.299 9.280 -1.607 1.00 0.00 C ATOM 90 O PHE A 5 -7.010 8.282 -0.978 1.00 0.00 O ATOM 91 CB PHE A 5 -7.992 11.215 -0.189 1.00 0.00 C ATOM 92 CG PHE A 5 -7.929 10.496 1.138 1.00 0.00 C ATOM 93 CD1 PHE A 5 -6.737 10.487 1.872 1.00 0.00 C ATOM 94 CD2 PHE A 5 -9.062 9.839 1.633 1.00 0.00 C ATOM 95 CE1 PHE A 5 -6.679 9.821 3.102 1.00 0.00 C ATOM 96 CE2 PHE A 5 -9.003 9.174 2.863 1.00 0.00 C ATOM 97 CZ PHE A 5 -7.811 9.164 3.598 1.00 0.00 C ATOM 0 H PHE A 5 -7.378 12.376 -2.305 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.963 10.603 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.855 12.286 -0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.974 11.079 -0.643 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.863 10.993 1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -9.981 9.845 1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.760 9.814 3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -9.877 8.668 3.246 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.765 8.650 4.547 1.00 0.00 H new ATOM 107 N LYS A 6 -7.955 9.208 -2.726 1.00 0.00 N ATOM 108 CA LYS A 6 -8.366 7.879 -3.255 1.00 0.00 C ATOM 109 C LYS A 6 -7.132 7.002 -3.412 1.00 0.00 C ATOM 110 O LYS A 6 -7.175 5.808 -3.193 1.00 0.00 O ATOM 111 CB LYS A 6 -9.057 8.052 -4.609 1.00 0.00 C ATOM 112 CG LYS A 6 -10.560 8.235 -4.395 1.00 0.00 C ATOM 113 CD LYS A 6 -11.175 6.913 -3.931 1.00 0.00 C ATOM 114 CE LYS A 6 -12.240 6.466 -4.933 1.00 0.00 C ATOM 115 NZ LYS A 6 -11.587 5.755 -6.069 1.00 0.00 N ATOM 0 H LYS A 6 -8.225 10.008 -3.298 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.062 7.408 -2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.646 8.916 -5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.872 7.181 -5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.740 9.012 -3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.033 8.563 -5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.401 6.151 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.618 7.033 -2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.961 5.810 -4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.794 7.330 -5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.079 5.991 -6.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.592 6.049 -6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.635 4.728 -5.909 1.00 0.00 H new ATOM 129 N LYS A 7 -6.031 7.586 -3.769 1.00 0.00 N ATOM 130 CA LYS A 7 -4.793 6.781 -3.916 1.00 0.00 C ATOM 131 C LYS A 7 -4.354 6.330 -2.532 1.00 0.00 C ATOM 132 O LYS A 7 -3.822 5.253 -2.349 1.00 0.00 O ATOM 133 CB LYS A 7 -3.692 7.623 -4.565 1.00 0.00 C ATOM 134 CG LYS A 7 -3.877 7.622 -6.084 1.00 0.00 C ATOM 135 CD LYS A 7 -2.636 8.219 -6.750 1.00 0.00 C ATOM 136 CE LYS A 7 -1.766 7.093 -7.311 1.00 0.00 C ATOM 137 NZ LYS A 7 -0.690 7.674 -8.161 1.00 0.00 N ATOM 0 H LYS A 7 -5.932 8.582 -3.965 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.982 5.916 -4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.728 8.644 -4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.712 7.221 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.040 6.605 -6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.761 8.200 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.931 8.898 -7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.069 8.805 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.329 6.516 -6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.376 6.405 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.098 6.909 -8.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.117 8.206 -8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.103 8.313 -7.589 1.00 0.00 H new ATOM 151 N ILE A 8 -4.609 7.140 -1.552 1.00 0.00 N ATOM 152 CA ILE A 8 -4.251 6.765 -0.162 1.00 0.00 C ATOM 153 C ILE A 8 -5.259 5.729 0.307 1.00 0.00 C ATOM 154 O ILE A 8 -4.952 4.827 1.061 1.00 0.00 O ATOM 155 CB ILE A 8 -4.317 7.998 0.739 1.00 0.00 C ATOM 156 CG1 ILE A 8 -3.140 8.923 0.422 1.00 0.00 C ATOM 157 CG2 ILE A 8 -4.246 7.564 2.204 1.00 0.00 C ATOM 158 CD1 ILE A 8 -3.029 10.001 1.500 1.00 0.00 C ATOM 0 H ILE A 8 -5.053 8.053 -1.653 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.239 6.362 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.253 8.528 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.216 8.348 0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.281 9.385 -0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.293 8.443 2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.084 6.905 2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.310 7.034 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.190 10.658 1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.950 10.584 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.868 9.530 2.470 1.00 0.00 H new ATOM 170 N GLU A 9 -6.466 5.862 -0.153 1.00 0.00 N ATOM 171 CA GLU A 9 -7.530 4.896 0.236 1.00 0.00 C ATOM 172 C GLU A 9 -7.205 3.528 -0.356 1.00 0.00 C ATOM 173 O GLU A 9 -7.454 2.501 0.242 1.00 0.00 O ATOM 174 CB GLU A 9 -8.881 5.379 -0.297 1.00 0.00 C ATOM 175 CG GLU A 9 -9.285 6.666 0.426 1.00 0.00 C ATOM 176 CD GLU A 9 -10.750 6.574 0.854 1.00 0.00 C ATOM 177 OE1 GLU A 9 -11.553 6.124 0.052 1.00 0.00 O ATOM 178 OE2 GLU A 9 -11.046 6.954 1.974 1.00 0.00 O ATOM 0 H GLU A 9 -6.766 6.603 -0.787 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.579 4.822 1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.818 5.557 -1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.639 4.611 -0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.650 6.820 1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.140 7.525 -0.230 1.00 0.00 H new ATOM 185 N LYS A 10 -6.649 3.515 -1.531 1.00 0.00 N ATOM 186 CA LYS A 10 -6.300 2.219 -2.180 1.00 0.00 C ATOM 187 C LYS A 10 -5.072 1.620 -1.499 1.00 0.00 C ATOM 188 O LYS A 10 -4.882 0.420 -1.482 1.00 0.00 O ATOM 189 CB LYS A 10 -5.999 2.454 -3.662 1.00 0.00 C ATOM 190 CG LYS A 10 -7.141 1.893 -4.511 1.00 0.00 C ATOM 191 CD LYS A 10 -7.830 3.035 -5.258 1.00 0.00 C ATOM 192 CE LYS A 10 -8.595 2.472 -6.457 1.00 0.00 C ATOM 193 NZ LYS A 10 -10.017 2.240 -6.074 1.00 0.00 N ATOM 0 H LYS A 10 -6.419 4.347 -2.074 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.139 1.529 -2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.878 3.520 -3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.060 1.973 -3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.755 1.161 -5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.859 1.374 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.514 3.560 -4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.091 3.762 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.542 3.167 -7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.139 1.539 -6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.538 1.857 -6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.058 1.562 -5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.448 3.139 -5.779 1.00 0.00 H new ATOM 207 N LYS A 11 -4.239 2.446 -0.935 1.00 0.00 N ATOM 208 CA LYS A 11 -3.023 1.927 -0.249 1.00 0.00 C ATOM 209 C LYS A 11 -3.439 1.233 1.044 1.00 0.00 C ATOM 210 O LYS A 11 -2.790 0.318 1.512 1.00 0.00 O ATOM 211 CB LYS A 11 -2.078 3.086 0.072 1.00 0.00 C ATOM 212 CG LYS A 11 -0.899 2.569 0.900 1.00 0.00 C ATOM 213 CD LYS A 11 0.145 3.677 1.051 1.00 0.00 C ATOM 214 CE LYS A 11 1.536 3.054 1.191 1.00 0.00 C ATOM 215 NZ LYS A 11 1.986 2.543 -0.135 1.00 0.00 N ATOM 0 H LYS A 11 -4.347 3.460 -0.919 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.510 1.218 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.717 3.541 -0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.610 3.862 0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.245 2.245 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.454 1.700 0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.117 4.338 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.081 4.287 1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.242 3.795 1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.511 2.241 1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.025 2.499 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.596 1.592 -0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.651 3.181 -0.885 1.00 0.00 H new ATOM 229 N TRP A 12 -4.523 1.660 1.621 1.00 0.00 N ATOM 230 CA TRP A 12 -4.995 1.029 2.883 1.00 0.00 C ATOM 231 C TRP A 12 -5.561 -0.356 2.576 1.00 0.00 C ATOM 232 O TRP A 12 -5.152 -1.349 3.143 1.00 0.00 O ATOM 233 CB TRP A 12 -6.087 1.899 3.511 1.00 0.00 C ATOM 234 CG TRP A 12 -5.545 2.582 4.725 1.00 0.00 C ATOM 235 CD1 TRP A 12 -5.976 2.372 5.990 1.00 0.00 C ATOM 236 CD2 TRP A 12 -4.484 3.576 4.813 1.00 0.00 C ATOM 237 NE1 TRP A 12 -5.247 3.175 6.849 1.00 0.00 N ATOM 238 CE2 TRP A 12 -4.315 3.935 6.171 1.00 0.00 C ATOM 239 CE3 TRP A 12 -3.659 4.195 3.856 1.00 0.00 C ATOM 240 CZ2 TRP A 12 -3.362 4.876 6.565 1.00 0.00 C ATOM 241 CZ3 TRP A 12 -2.699 5.141 4.250 1.00 0.00 C ATOM 242 CH2 TRP A 12 -2.551 5.481 5.602 1.00 0.00 C ATOM 0 H TRP A 12 -5.106 2.421 1.273 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.161 0.936 3.578 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.437 2.638 2.791 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -6.946 1.285 3.780 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -6.761 1.689 6.282 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.382 3.202 7.860 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.765 3.941 2.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.252 5.135 7.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.071 5.610 3.507 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.811 6.210 5.899 1.00 0.00 H new ATOM 253 N LYS A 13 -6.498 -0.422 1.681 1.00 0.00 N ATOM 254 CA LYS A 13 -7.107 -1.735 1.326 1.00 0.00 C ATOM 255 C LYS A 13 -6.023 -2.688 0.834 1.00 0.00 C ATOM 256 O LYS A 13 -5.936 -3.823 1.258 1.00 0.00 O ATOM 257 CB LYS A 13 -8.149 -1.535 0.223 1.00 0.00 C ATOM 258 CG LYS A 13 -9.342 -2.459 0.471 1.00 0.00 C ATOM 259 CD LYS A 13 -8.927 -3.910 0.217 1.00 0.00 C ATOM 260 CE LYS A 13 -8.930 -4.186 -1.289 1.00 0.00 C ATOM 261 NZ LYS A 13 -7.533 -4.408 -1.757 1.00 0.00 N ATOM 0 H LYS A 13 -6.874 0.380 1.174 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.588 -2.159 2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.478 -0.496 0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.708 -1.747 -0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.697 -2.345 1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.169 -2.186 -0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.935 -4.093 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.613 -4.589 0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.541 -5.061 -1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.374 -3.346 -1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.548 -4.870 -2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.043 -3.494 -1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.032 -5.015 -1.078 1.00 0.00 H new ATOM 275 N VAL A 14 -5.193 -2.233 -0.055 1.00 0.00 N ATOM 276 CA VAL A 14 -4.108 -3.109 -0.574 1.00 0.00 C ATOM 277 C VAL A 14 -3.231 -3.561 0.591 1.00 0.00 C ATOM 278 O VAL A 14 -2.707 -4.658 0.602 1.00 0.00 O ATOM 279 CB VAL A 14 -3.260 -2.338 -1.587 1.00 0.00 C ATOM 280 CG1 VAL A 14 -4.167 -1.751 -2.671 1.00 0.00 C ATOM 281 CG2 VAL A 14 -2.520 -1.206 -0.875 1.00 0.00 C ATOM 0 H VAL A 14 -5.217 -1.292 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.544 -3.979 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.538 -3.014 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.563 -1.202 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.695 -2.558 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.890 -1.075 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.915 -0.656 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.243 -0.530 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.873 -1.623 -0.103 1.00 0.00 H new ATOM 291 N PHE A 15 -3.073 -2.723 1.574 1.00 0.00 N ATOM 292 CA PHE A 15 -2.234 -3.097 2.748 1.00 0.00 C ATOM 293 C PHE A 15 -2.904 -4.244 3.500 1.00 0.00 C ATOM 294 O PHE A 15 -2.254 -5.133 4.010 1.00 0.00 O ATOM 295 CB PHE A 15 -2.083 -1.890 3.676 1.00 0.00 C ATOM 296 CG PHE A 15 -1.091 -2.210 4.769 1.00 0.00 C ATOM 297 CD1 PHE A 15 0.283 -2.088 4.527 1.00 0.00 C ATOM 298 CD2 PHE A 15 -1.547 -2.628 6.026 1.00 0.00 C ATOM 299 CE1 PHE A 15 1.201 -2.383 5.542 1.00 0.00 C ATOM 300 CE2 PHE A 15 -0.627 -2.924 7.040 1.00 0.00 C ATOM 301 CZ PHE A 15 0.746 -2.801 6.799 1.00 0.00 C ATOM 0 H PHE A 15 -3.489 -1.793 1.617 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.248 -3.412 2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.746 -1.022 3.108 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.048 -1.631 4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.634 -1.766 3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.607 -2.722 6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.261 -2.288 5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.978 -3.248 8.009 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.454 -3.028 7.582 1.00 0.00 H new ATOM 311 N LYS A 16 -4.202 -4.227 3.565 1.00 0.00 N ATOM 312 CA LYS A 16 -4.928 -5.315 4.277 1.00 0.00 C ATOM 313 C LYS A 16 -4.767 -6.618 3.498 1.00 0.00 C ATOM 314 O LYS A 16 -4.882 -7.700 4.040 1.00 0.00 O ATOM 315 CB LYS A 16 -6.413 -4.959 4.379 1.00 0.00 C ATOM 316 CG LYS A 16 -6.602 -3.844 5.410 1.00 0.00 C ATOM 317 CD LYS A 16 -7.845 -3.027 5.055 1.00 0.00 C ATOM 318 CE LYS A 16 -7.592 -1.550 5.367 1.00 0.00 C ATOM 319 NZ LYS A 16 -8.717 -1.015 6.183 1.00 0.00 N ATOM 0 H LYS A 16 -4.795 -3.506 3.155 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.518 -5.434 5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.788 -4.638 3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.989 -5.838 4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.707 -4.270 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.723 -3.199 5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.085 -3.151 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.704 -3.387 5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.652 -1.437 5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.498 -0.983 4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.545 -0.011 6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.606 -1.110 5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.786 -1.550 7.072 1.00 0.00 H new ATOM 333 N LYS A 17 -4.498 -6.521 2.226 1.00 0.00 N ATOM 334 CA LYS A 17 -4.327 -7.751 1.404 1.00 0.00 C ATOM 335 C LYS A 17 -3.029 -8.451 1.801 1.00 0.00 C ATOM 336 O LYS A 17 -2.958 -9.661 1.873 1.00 0.00 O ATOM 337 CB LYS A 17 -4.272 -7.371 -0.078 1.00 0.00 C ATOM 338 CG LYS A 17 -3.783 -8.568 -0.899 1.00 0.00 C ATOM 339 CD LYS A 17 -4.813 -9.696 -0.822 1.00 0.00 C ATOM 340 CE LYS A 17 -4.702 -10.574 -2.070 1.00 0.00 C ATOM 341 NZ LYS A 17 -5.178 -11.951 -1.754 1.00 0.00 N ATOM 0 H LYS A 17 -4.389 -5.642 1.720 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.168 -8.423 1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.259 -7.061 -0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.604 -6.522 -0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.629 -8.272 -1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.821 -8.913 -0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.646 -10.295 0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.818 -9.281 -0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.295 -10.150 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.668 -10.605 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.102 -12.548 -2.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.594 -12.354 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.170 -11.913 -1.445 1.00 0.00 H new ATOM 355 N ILE A 18 -2.004 -7.694 2.059 1.00 0.00 N ATOM 356 CA ILE A 18 -0.704 -8.308 2.452 1.00 0.00 C ATOM 357 C ILE A 18 -0.778 -8.787 3.895 1.00 0.00 C ATOM 358 O ILE A 18 -0.094 -9.709 4.289 1.00 0.00 O ATOM 359 CB ILE A 18 0.418 -7.278 2.305 1.00 0.00 C ATOM 360 CG1 ILE A 18 1.767 -7.956 2.559 1.00 0.00 C ATOM 361 CG2 ILE A 18 0.216 -6.148 3.316 1.00 0.00 C ATOM 362 CD1 ILE A 18 2.861 -7.222 1.782 1.00 0.00 C ATOM 0 H ILE A 18 -2.007 -6.675 2.015 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.497 -9.159 1.803 1.00 0.00 H new ATOM 0 HB ILE A 18 0.401 -6.866 1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.995 -7.948 3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.725 -9.000 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.017 -5.416 3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.744 -5.665 3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.231 -6.557 4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.822 -7.704 1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.634 -7.253 0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.908 -6.184 2.113 1.00 0.00 H new ATOM 374 N GLU A 19 -1.606 -8.177 4.687 1.00 0.00 N ATOM 375 CA GLU A 19 -1.721 -8.615 6.101 1.00 0.00 C ATOM 376 C GLU A 19 -2.102 -10.091 6.126 1.00 0.00 C ATOM 377 O GLU A 19 -1.592 -10.868 6.907 1.00 0.00 O ATOM 378 CB GLU A 19 -2.797 -7.790 6.811 1.00 0.00 C ATOM 379 CG GLU A 19 -2.448 -7.663 8.296 1.00 0.00 C ATOM 380 CD GLU A 19 -3.732 -7.696 9.127 1.00 0.00 C ATOM 381 OE1 GLU A 19 -4.633 -8.432 8.758 1.00 0.00 O ATOM 382 OE2 GLU A 19 -3.791 -6.988 10.118 1.00 0.00 O ATOM 0 H GLU A 19 -2.206 -7.397 4.419 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.770 -8.469 6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.870 -6.801 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.771 -8.266 6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.787 -8.476 8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.910 -6.732 8.476 1.00 0.00 H new ATOM 389 N LYS A 20 -2.988 -10.481 5.257 1.00 0.00 N ATOM 390 CA LYS A 20 -3.408 -11.908 5.207 1.00 0.00 C ATOM 391 C LYS A 20 -2.273 -12.738 4.612 1.00 0.00 C ATOM 392 O LYS A 20 -2.164 -13.925 4.848 1.00 0.00 O ATOM 393 CB LYS A 20 -4.659 -12.045 4.337 1.00 0.00 C ATOM 394 CG LYS A 20 -5.882 -12.254 5.232 1.00 0.00 C ATOM 395 CD LYS A 20 -7.158 -12.067 4.409 1.00 0.00 C ATOM 396 CE LYS A 20 -8.239 -13.021 4.920 1.00 0.00 C ATOM 397 NZ LYS A 20 -8.524 -14.050 3.881 1.00 0.00 N ATOM 0 H LYS A 20 -3.442 -9.872 4.576 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.634 -12.262 6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.790 -11.152 3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.548 -12.886 3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.861 -13.253 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.864 -11.546 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.503 -11.036 4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.956 -12.260 3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.910 -13.501 5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.147 -12.466 5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.259 -14.699 4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.855 -13.584 3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.657 -14.586 3.677 1.00 0.00 H new ATOM 411 N ALA A 21 -1.424 -12.115 3.849 1.00 0.00 N ATOM 412 CA ALA A 21 -0.285 -12.852 3.241 1.00 0.00 C ATOM 413 C ALA A 21 0.964 -12.639 4.097 1.00 0.00 C ATOM 414 O ALA A 21 1.992 -13.247 3.875 1.00 0.00 O ATOM 415 CB ALA A 21 -0.032 -12.327 1.827 1.00 0.00 C ATOM 0 H ALA A 21 -1.470 -11.122 3.619 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.520 -13.915 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.803 -12.868 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.925 -12.474 1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.206 -11.264 1.871 1.00 0.00 H new ATOM 421 N GLY A 22 0.885 -11.775 5.075 1.00 0.00 N ATOM 422 CA GLY A 22 2.070 -11.522 5.942 1.00 0.00 C ATOM 423 C GLY A 22 1.772 -11.985 7.371 1.00 0.00 C ATOM 424 O GLY A 22 1.388 -11.195 8.210 1.00 0.00 O ATOM 0 H GLY A 22 0.052 -11.235 5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.938 -12.052 5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.316 -10.460 5.937 1.00 0.00 H new ATOM 428 N PRO A 23 1.962 -13.259 7.603 1.00 0.00 N ATOM 429 CA PRO A 23 1.725 -13.869 8.922 1.00 0.00 C ATOM 430 C PRO A 23 2.887 -13.557 9.869 1.00 0.00 C ATOM 431 O PRO A 23 2.818 -13.808 11.057 1.00 0.00 O ATOM 432 CB PRO A 23 1.653 -15.368 8.618 1.00 0.00 C ATOM 433 CG PRO A 23 2.401 -15.577 7.281 1.00 0.00 C ATOM 434 CD PRO A 23 2.429 -14.209 6.573 1.00 0.00 C ATOM 0 HA PRO A 23 0.825 -13.497 9.412 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.114 -15.949 9.416 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.618 -15.699 8.540 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.413 -15.943 7.456 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.895 -16.321 6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 23 3.432 -13.960 6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.779 -14.200 5.698 1.00 0.00 H new ATOM 442 N LYS A 24 3.954 -13.010 9.353 1.00 0.00 N ATOM 443 CA LYS A 24 5.117 -12.680 10.224 1.00 0.00 C ATOM 444 C LYS A 24 4.711 -11.596 11.224 1.00 0.00 C ATOM 445 O LYS A 24 5.428 -11.301 12.159 1.00 0.00 O ATOM 446 CB LYS A 24 6.273 -12.171 9.361 1.00 0.00 C ATOM 447 CG LYS A 24 7.437 -13.162 9.429 1.00 0.00 C ATOM 448 CD LYS A 24 8.599 -12.644 8.580 1.00 0.00 C ATOM 449 CE LYS A 24 9.873 -13.414 8.933 1.00 0.00 C ATOM 450 NZ LYS A 24 9.532 -14.837 9.209 1.00 0.00 N ATOM 0 H LYS A 24 4.070 -12.778 8.367 1.00 0.00 H new ATOM 0 HA LYS A 24 5.433 -13.573 10.763 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.944 -12.050 8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.596 -11.190 9.709 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.758 -13.292 10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.117 -14.140 9.069 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.371 -12.764 7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.745 -11.578 8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.587 -13.353 8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.351 -12.968 9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.395 -15.416 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.111 -14.916 10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.852 -15.175 8.499 1.00 0.00 H new ATOM 464 N TRP A 25 3.564 -11.002 11.036 1.00 0.00 N ATOM 465 CA TRP A 25 3.112 -9.939 11.977 1.00 0.00 C ATOM 466 C TRP A 25 2.418 -10.585 13.178 1.00 0.00 C ATOM 467 O TRP A 25 2.156 -9.943 14.174 1.00 0.00 O ATOM 468 CB TRP A 25 2.132 -9.007 11.262 1.00 0.00 C ATOM 469 CG TRP A 25 2.563 -7.589 11.455 1.00 0.00 C ATOM 470 CD1 TRP A 25 3.177 -6.828 10.518 1.00 0.00 C ATOM 471 CD2 TRP A 25 2.426 -6.749 12.638 1.00 0.00 C ATOM 472 NE1 TRP A 25 3.423 -5.576 11.050 1.00 0.00 N ATOM 473 CE2 TRP A 25 2.979 -5.478 12.354 1.00 0.00 C ATOM 474 CE3 TRP A 25 1.880 -6.965 13.915 1.00 0.00 C ATOM 475 CZ2 TRP A 25 2.991 -4.457 13.305 1.00 0.00 C ATOM 476 CZ3 TRP A 25 1.890 -5.939 14.875 1.00 0.00 C ATOM 477 CH2 TRP A 25 2.444 -4.688 14.571 1.00 0.00 C ATOM 0 H TRP A 25 2.921 -11.207 10.271 1.00 0.00 H new ATOM 0 HA TRP A 25 3.973 -9.366 12.319 1.00 0.00 H new ATOM 0 HB2 TRP A 25 2.096 -9.246 10.199 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.125 -9.149 11.655 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.433 -7.147 9.518 1.00 0.00 H new ATOM 0 HE1 TRP A 25 3.877 -4.817 10.541 1.00 0.00 H new ATOM 0 HE3 TRP A 25 1.450 -7.925 14.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 3.420 -3.495 13.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 1.468 -6.116 15.853 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.448 -3.904 15.313 1.00 0.00 H new ATOM 488 N LYS A 26 2.120 -11.853 13.089 1.00 0.00 N ATOM 489 CA LYS A 26 1.444 -12.539 14.226 1.00 0.00 C ATOM 490 C LYS A 26 2.408 -13.546 14.857 1.00 0.00 C ATOM 491 O LYS A 26 2.153 -14.085 15.916 1.00 0.00 O ATOM 492 CB LYS A 26 0.203 -13.273 13.713 1.00 0.00 C ATOM 493 CG LYS A 26 -1.043 -12.708 14.399 1.00 0.00 C ATOM 494 CD LYS A 26 -1.258 -11.259 13.958 1.00 0.00 C ATOM 495 CE LYS A 26 -2.582 -11.146 13.201 1.00 0.00 C ATOM 496 NZ LYS A 26 -2.335 -10.562 11.852 1.00 0.00 N ATOM 0 H LYS A 26 2.315 -12.442 12.280 1.00 0.00 H new ATOM 0 HA LYS A 26 1.147 -11.802 14.972 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.120 -13.158 12.632 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.290 -14.341 13.914 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.915 -13.310 14.144 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.928 -12.756 15.482 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.267 -10.601 14.827 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.434 -10.936 13.321 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.043 -12.129 13.105 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.279 -10.520 13.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.235 -10.485 11.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.913 -9.617 11.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.684 -11.176 11.322 1.00 0.00 H new ATOM 510 N VAL A 27 3.515 -13.805 14.216 1.00 0.00 N ATOM 511 CA VAL A 27 4.494 -14.775 14.780 1.00 0.00 C ATOM 512 C VAL A 27 4.995 -14.264 16.129 1.00 0.00 C ATOM 513 O VAL A 27 5.292 -15.027 17.026 1.00 0.00 O ATOM 514 CB VAL A 27 5.676 -14.929 13.822 1.00 0.00 C ATOM 515 CG1 VAL A 27 6.516 -13.651 13.838 1.00 0.00 C ATOM 516 CG2 VAL A 27 6.540 -16.112 14.264 1.00 0.00 C ATOM 0 H VAL A 27 3.783 -13.386 13.326 1.00 0.00 H new ATOM 0 HA VAL A 27 4.009 -15.742 14.913 1.00 0.00 H new ATOM 0 HB VAL A 27 5.304 -15.107 12.813 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.359 -13.761 13.155 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.901 -12.808 13.523 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.888 -13.472 14.847 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.383 -16.222 13.581 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.911 -15.934 15.273 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.942 -17.023 14.253 1.00 0.00 H new ATOM 526 N PHE A 28 5.088 -12.975 16.277 1.00 0.00 N ATOM 527 CA PHE A 28 5.567 -12.402 17.565 1.00 0.00 C ATOM 528 C PHE A 28 4.638 -12.844 18.694 1.00 0.00 C ATOM 529 O PHE A 28 5.046 -12.998 19.827 1.00 0.00 O ATOM 530 CB PHE A 28 5.573 -10.875 17.475 1.00 0.00 C ATOM 531 CG PHE A 28 6.983 -10.387 17.242 1.00 0.00 C ATOM 532 CD1 PHE A 28 7.755 -10.942 16.213 1.00 0.00 C ATOM 533 CD2 PHE A 28 7.518 -9.381 18.053 1.00 0.00 C ATOM 534 CE1 PHE A 28 9.062 -10.490 15.997 1.00 0.00 C ATOM 535 CE2 PHE A 28 8.825 -8.928 17.837 1.00 0.00 C ATOM 536 CZ PHE A 28 9.597 -9.482 16.809 1.00 0.00 C ATOM 0 H PHE A 28 4.852 -12.290 15.559 1.00 0.00 H new ATOM 0 HA PHE A 28 6.578 -12.756 17.767 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.925 -10.546 16.663 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.176 -10.445 18.394 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.342 -11.719 15.586 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.923 -8.953 18.846 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.658 -10.918 15.204 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.238 -8.151 18.464 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.605 -9.132 16.642 1.00 0.00 H new ATOM 546 N LYS A 29 3.390 -13.047 18.388 1.00 0.00 N ATOM 547 CA LYS A 29 2.421 -13.480 19.435 1.00 0.00 C ATOM 548 C LYS A 29 2.587 -14.977 19.700 1.00 0.00 C ATOM 549 O LYS A 29 2.230 -15.477 20.747 1.00 0.00 O ATOM 550 CB LYS A 29 0.995 -13.200 18.956 1.00 0.00 C ATOM 551 CG LYS A 29 0.217 -12.481 20.061 1.00 0.00 C ATOM 552 CD LYS A 29 -0.029 -11.028 19.650 1.00 0.00 C ATOM 553 CE LYS A 29 0.279 -10.104 20.828 1.00 0.00 C ATOM 554 NZ LYS A 29 -0.869 -10.111 21.778 1.00 0.00 N ATOM 0 H LYS A 29 2.995 -12.932 17.455 1.00 0.00 H new ATOM 0 HA LYS A 29 2.611 -12.928 20.355 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.017 -12.588 18.054 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.498 -14.134 18.695 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.733 -12.985 20.239 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.776 -12.516 20.996 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.599 -10.769 18.798 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.064 -10.899 19.334 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.186 -10.433 21.335 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.463 -9.091 20.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.660 -9.482 22.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.725 -9.777 21.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.024 -11.078 22.128 1.00 0.00 H new ATOM 568 N LYS A 30 3.117 -15.695 18.752 1.00 0.00 N ATOM 569 CA LYS A 30 3.298 -17.163 18.934 1.00 0.00 C ATOM 570 C LYS A 30 4.157 -17.431 20.170 1.00 0.00 C ATOM 571 O LYS A 30 3.993 -18.426 20.848 1.00 0.00 O ATOM 572 CB LYS A 30 3.985 -17.749 17.699 1.00 0.00 C ATOM 573 CG LYS A 30 2.998 -18.637 16.939 1.00 0.00 C ATOM 574 CD LYS A 30 3.367 -20.106 17.151 1.00 0.00 C ATOM 575 CE LYS A 30 4.048 -20.649 15.893 1.00 0.00 C ATOM 576 NZ LYS A 30 4.926 -21.795 16.259 1.00 0.00 N ATOM 0 H LYS A 30 3.434 -15.328 17.855 1.00 0.00 H new ATOM 0 HA LYS A 30 2.323 -17.631 19.067 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.341 -16.947 17.053 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.858 -18.330 17.997 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.982 -18.452 17.288 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.019 -18.395 15.876 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.032 -20.204 18.009 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.473 -20.688 17.373 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.298 -20.968 15.170 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.636 -19.864 15.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.389 -22.164 15.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.650 -21.476 16.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.353 -22.546 16.694 1.00 0.00 H new ATOM 590 N ILE A 31 5.068 -16.554 20.468 1.00 0.00 N ATOM 591 CA ILE A 31 5.938 -16.758 21.661 1.00 0.00 C ATOM 592 C ILE A 31 5.116 -16.551 22.932 1.00 0.00 C ATOM 593 O ILE A 31 5.312 -17.217 23.929 1.00 0.00 O ATOM 594 CB ILE A 31 7.104 -15.766 21.631 1.00 0.00 C ATOM 595 CG1 ILE A 31 8.067 -16.082 22.778 1.00 0.00 C ATOM 596 CG2 ILE A 31 6.573 -14.342 21.794 1.00 0.00 C ATOM 597 CD1 ILE A 31 9.419 -16.511 22.206 1.00 0.00 C ATOM 0 H ILE A 31 5.251 -15.702 19.938 1.00 0.00 H new ATOM 0 HA ILE A 31 6.335 -17.773 21.648 1.00 0.00 H new ATOM 0 HB ILE A 31 7.626 -15.850 20.678 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.191 -15.206 23.415 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.657 -16.875 23.403 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.405 -13.639 21.772 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.885 -14.115 20.980 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.050 -14.256 22.746 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.105 -16.736 23.023 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.287 -17.399 21.588 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.830 -15.704 21.599 1.00 0.00 H new ATOM 609 N GLU A 32 4.201 -15.627 22.902 1.00 0.00 N ATOM 610 CA GLU A 32 3.360 -15.365 24.104 1.00 0.00 C ATOM 611 C GLU A 32 2.428 -16.551 24.344 1.00 0.00 C ATOM 612 O GLU A 32 2.039 -16.835 25.460 1.00 0.00 O ATOM 613 CB GLU A 32 2.530 -14.100 23.880 1.00 0.00 C ATOM 614 CG GLU A 32 2.867 -13.068 24.958 1.00 0.00 C ATOM 615 CD GLU A 32 2.244 -11.721 24.588 1.00 0.00 C ATOM 616 OE1 GLU A 32 1.241 -11.725 23.893 1.00 0.00 O ATOM 617 OE2 GLU A 32 2.780 -10.708 25.006 1.00 0.00 O ATOM 0 H GLU A 32 3.997 -15.038 22.094 1.00 0.00 H new ATOM 0 HA GLU A 32 4.003 -15.228 24.973 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.735 -13.689 22.892 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.467 -14.340 23.911 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.491 -13.401 25.925 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.948 -12.967 25.054 1.00 0.00 H new ATOM 624 N LYS A 33 2.068 -17.245 23.305 1.00 0.00 N ATOM 625 CA LYS A 33 1.159 -18.416 23.465 1.00 0.00 C ATOM 626 C LYS A 33 1.993 -19.690 23.615 1.00 0.00 C ATOM 627 O LYS A 33 1.926 -20.580 22.789 1.00 0.00 O ATOM 628 CB LYS A 33 0.260 -18.535 22.232 1.00 0.00 C ATOM 629 CG LYS A 33 -0.795 -19.616 22.472 1.00 0.00 C ATOM 630 CD LYS A 33 -2.190 -19.027 22.244 1.00 0.00 C ATOM 631 CE LYS A 33 -3.017 -19.162 23.523 1.00 0.00 C ATOM 632 NZ LYS A 33 -4.282 -18.385 23.382 1.00 0.00 N ATOM 0 H LYS A 33 2.363 -17.054 22.348 1.00 0.00 H new ATOM 0 HA LYS A 33 0.541 -18.280 24.353 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.223 -17.580 22.027 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.858 -18.784 21.355 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.629 -20.457 21.799 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.713 -20.000 23.489 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.111 -17.978 21.959 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.685 -19.545 21.422 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.242 -20.211 23.714 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.447 -18.797 24.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.845 -18.477 24.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.057 -17.383 23.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.827 -18.753 22.577 1.00 0.00 H new HETATM 646 N NH2 A 34 2.782 -19.818 24.645 1.00 0.00 N TER 649 NH2 A 34