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 11 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.142) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ -142:sc= -0.22 (180deg=-1.11) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -148:sc= -0.168 (180deg=-0.875) 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 13 LYS NZ :NH3+ -171:sc= -0.827 (180deg=-1.01) USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.128) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= 0.0338 (180deg=-0.323) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 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+ 170:sc= -0.296 (180deg=-0.423) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -5.982 18.599 -5.123 1.00 0.00 N ATOM 2 CA LYS A 1 -6.992 17.640 -5.654 1.00 0.00 C ATOM 3 C LYS A 1 -7.272 16.564 -4.605 1.00 0.00 C ATOM 4 O LYS A 1 -6.411 15.775 -4.264 1.00 0.00 O ATOM 5 CB LYS A 1 -6.454 16.987 -6.928 1.00 0.00 C ATOM 6 CG LYS A 1 -6.102 18.071 -7.950 1.00 0.00 C ATOM 7 CD LYS A 1 -4.647 17.906 -8.390 1.00 0.00 C ATOM 8 CE LYS A 1 -4.541 16.748 -9.384 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.328 16.928 -10.230 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.224 19.563 -5.429 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.976 18.556 -4.084 1.00 0.00 H new ATOM 0 H3 LYS A 1 -5.040 18.347 -5.486 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.915 18.172 -5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.572 16.389 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.199 16.309 -7.344 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.764 18.000 -8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.251 19.059 -7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.289 18.827 -8.849 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.014 17.714 -7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.487 15.800 -8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.432 16.710 -10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.256 16.141 -10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.398 17.826 -10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -2.482 16.943 -9.625 1.00 0.00 H new ATOM 25 N TRP A 2 -8.469 16.523 -4.087 1.00 0.00 N ATOM 26 CA TRP A 2 -8.802 15.497 -3.061 1.00 0.00 C ATOM 27 C TRP A 2 -8.824 14.111 -3.709 1.00 0.00 C ATOM 28 O TRP A 2 -8.951 13.105 -3.040 1.00 0.00 O ATOM 29 CB TRP A 2 -10.176 15.802 -2.460 1.00 0.00 C ATOM 30 CG TRP A 2 -10.349 15.029 -1.192 1.00 0.00 C ATOM 31 CD1 TRP A 2 -9.343 14.488 -0.466 1.00 0.00 C ATOM 32 CD2 TRP A 2 -11.583 14.701 -0.487 1.00 0.00 C ATOM 33 NE1 TRP A 2 -9.881 13.851 0.638 1.00 0.00 N ATOM 34 CE2 TRP A 2 -11.257 13.954 0.669 1.00 0.00 C ATOM 35 CE3 TRP A 2 -12.939 14.978 -0.737 1.00 0.00 C ATOM 36 CZ2 TRP A 2 -12.241 13.496 1.547 1.00 0.00 C ATOM 37 CZ3 TRP A 2 -13.933 14.518 0.144 1.00 0.00 C ATOM 38 CH2 TRP A 2 -13.583 13.779 1.283 1.00 0.00 C ATOM 0 H TRP A 2 -9.231 17.156 -4.331 1.00 0.00 H new ATOM 0 HA TRP A 2 -8.049 15.516 -2.273 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -10.269 16.870 -2.263 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -10.961 15.539 -3.169 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -8.292 14.544 -0.709 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -9.328 13.364 1.343 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -13.218 15.548 -1.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -11.967 12.927 2.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -14.972 14.735 -0.057 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -14.351 13.429 1.956 1.00 0.00 H new ATOM 49 N LYS A 3 -8.695 14.049 -5.007 1.00 0.00 N ATOM 50 CA LYS A 3 -8.702 12.724 -5.690 1.00 0.00 C ATOM 51 C LYS A 3 -7.471 11.933 -5.252 1.00 0.00 C ATOM 52 O LYS A 3 -7.454 10.719 -5.282 1.00 0.00 O ATOM 53 CB LYS A 3 -8.672 12.922 -7.210 1.00 0.00 C ATOM 54 CG LYS A 3 -9.436 14.197 -7.575 1.00 0.00 C ATOM 55 CD LYS A 3 -9.835 14.152 -9.053 1.00 0.00 C ATOM 56 CE LYS A 3 -11.307 13.755 -9.172 1.00 0.00 C ATOM 57 NZ LYS A 3 -11.967 14.596 -10.210 1.00 0.00 N ATOM 0 H LYS A 3 -8.585 14.856 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.607 12.179 -5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.641 12.991 -7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.120 12.062 -7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.325 14.292 -6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.816 15.072 -7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.672 15.126 -9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.210 13.437 -9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.390 12.701 -9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.808 13.883 -8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.968 14.326 -10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.900 15.598 -9.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -11.495 14.452 -11.125 1.00 0.00 H new ATOM 71 N VAL A 4 -6.445 12.619 -4.838 1.00 0.00 N ATOM 72 CA VAL A 4 -5.207 11.920 -4.387 1.00 0.00 C ATOM 73 C VAL A 4 -5.548 10.994 -3.222 1.00 0.00 C ATOM 74 O VAL A 4 -4.947 9.957 -3.040 1.00 0.00 O ATOM 75 CB VAL A 4 -4.171 12.952 -3.936 1.00 0.00 C ATOM 76 CG1 VAL A 4 -3.668 13.735 -5.150 1.00 0.00 C ATOM 77 CG2 VAL A 4 -4.813 13.917 -2.939 1.00 0.00 C ATOM 0 H VAL A 4 -6.408 13.637 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.797 11.335 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.334 12.441 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.930 14.470 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.210 13.048 -5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.505 14.246 -5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.075 14.652 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.651 14.427 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.172 13.360 -2.073 1.00 0.00 H new ATOM 87 N PHE A 5 -6.515 11.365 -2.434 1.00 0.00 N ATOM 88 CA PHE A 5 -6.908 10.512 -1.278 1.00 0.00 C ATOM 89 C PHE A 5 -7.292 9.125 -1.781 1.00 0.00 C ATOM 90 O PHE A 5 -7.167 8.141 -1.080 1.00 0.00 O ATOM 91 CB PHE A 5 -8.100 11.145 -0.556 1.00 0.00 C ATOM 92 CG PHE A 5 -8.147 10.653 0.871 1.00 0.00 C ATOM 93 CD1 PHE A 5 -8.728 9.413 1.163 1.00 0.00 C ATOM 94 CD2 PHE A 5 -7.612 11.437 1.900 1.00 0.00 C ATOM 95 CE1 PHE A 5 -8.773 8.957 2.487 1.00 0.00 C ATOM 96 CE2 PHE A 5 -7.658 10.980 3.223 1.00 0.00 C ATOM 97 CZ PHE A 5 -8.239 9.741 3.517 1.00 0.00 C ATOM 0 H PHE A 5 -7.053 12.225 -2.540 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.071 10.428 -0.585 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.014 12.231 -0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -9.027 10.890 -1.070 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.141 8.809 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.164 12.393 1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.220 8.000 2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.245 11.584 4.017 1.00 0.00 H new ATOM 0 HZ PHE A 5 -8.275 9.390 4.538 1.00 0.00 H new ATOM 107 N LYS A 6 -7.758 9.038 -2.991 1.00 0.00 N ATOM 108 CA LYS A 6 -8.148 7.712 -3.539 1.00 0.00 C ATOM 109 C LYS A 6 -6.956 6.768 -3.461 1.00 0.00 C ATOM 110 O LYS A 6 -7.095 5.598 -3.168 1.00 0.00 O ATOM 111 CB LYS A 6 -8.596 7.864 -4.994 1.00 0.00 C ATOM 112 CG LYS A 6 -9.793 6.948 -5.258 1.00 0.00 C ATOM 113 CD LYS A 6 -10.622 7.510 -6.416 1.00 0.00 C ATOM 114 CE LYS A 6 -11.659 8.493 -5.871 1.00 0.00 C ATOM 115 NZ LYS A 6 -12.652 7.755 -5.039 1.00 0.00 N ATOM 0 H LYS A 6 -7.886 9.827 -3.625 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.974 7.305 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.866 8.900 -5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.776 7.611 -5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.448 5.942 -5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.408 6.869 -4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.972 8.011 -7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.119 6.699 -6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.169 9.262 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.163 9.000 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.581 8.217 -5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.725 6.773 -5.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.344 7.759 -4.046 1.00 0.00 H new ATOM 129 N LYS A 7 -5.784 7.271 -3.700 1.00 0.00 N ATOM 130 CA LYS A 7 -4.583 6.399 -3.615 1.00 0.00 C ATOM 131 C LYS A 7 -4.374 6.029 -2.153 1.00 0.00 C ATOM 132 O LYS A 7 -3.918 4.952 -1.824 1.00 0.00 O ATOM 133 CB LYS A 7 -3.353 7.135 -4.171 1.00 0.00 C ATOM 134 CG LYS A 7 -2.747 8.045 -3.095 1.00 0.00 C ATOM 135 CD LYS A 7 -1.896 9.129 -3.759 1.00 0.00 C ATOM 136 CE LYS A 7 -0.490 8.586 -4.020 1.00 0.00 C ATOM 137 NZ LYS A 7 0.506 9.407 -3.275 1.00 0.00 N ATOM 0 H LYS A 7 -5.603 8.243 -3.950 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.725 5.496 -4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.609 6.412 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.637 7.728 -5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.540 8.503 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.136 7.458 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.355 9.444 -4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.844 10.009 -3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.427 7.544 -3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.272 8.610 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.462 9.038 -3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.451 10.395 -3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.301 9.362 -2.256 1.00 0.00 H new ATOM 151 N ILE A 8 -4.735 6.917 -1.279 1.00 0.00 N ATOM 152 CA ILE A 8 -4.597 6.637 0.171 1.00 0.00 C ATOM 153 C ILE A 8 -5.693 5.656 0.564 1.00 0.00 C ATOM 154 O ILE A 8 -5.523 4.812 1.420 1.00 0.00 O ATOM 155 CB ILE A 8 -4.752 7.939 0.961 1.00 0.00 C ATOM 156 CG1 ILE A 8 -3.465 8.758 0.841 1.00 0.00 C ATOM 157 CG2 ILE A 8 -5.020 7.621 2.433 1.00 0.00 C ATOM 158 CD1 ILE A 8 -3.527 9.954 1.793 1.00 0.00 C ATOM 0 H ILE A 8 -5.123 7.832 -1.508 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.617 6.213 0.389 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.589 8.510 0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.602 8.135 1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.336 9.103 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.130 8.550 2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.936 7.036 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.186 7.050 2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.610 10.536 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.380 10.581 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.635 9.598 2.818 1.00 0.00 H new ATOM 170 N GLU A 9 -6.819 5.769 -0.074 1.00 0.00 N ATOM 171 CA GLU A 9 -7.951 4.851 0.232 1.00 0.00 C ATOM 172 C GLU A 9 -7.574 3.436 -0.193 1.00 0.00 C ATOM 173 O GLU A 9 -7.828 2.473 0.502 1.00 0.00 O ATOM 174 CB GLU A 9 -9.200 5.301 -0.529 1.00 0.00 C ATOM 175 CG GLU A 9 -10.373 4.386 -0.170 1.00 0.00 C ATOM 176 CD GLU A 9 -11.684 5.164 -0.288 1.00 0.00 C ATOM 177 OE1 GLU A 9 -11.902 5.765 -1.327 1.00 0.00 O ATOM 178 OE2 GLU A 9 -12.448 5.146 0.663 1.00 0.00 O ATOM 0 H GLU A 9 -7.008 6.461 -0.799 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.159 4.870 1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.440 6.334 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.016 5.270 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.390 3.522 -0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.254 4.006 0.845 1.00 0.00 H new ATOM 185 N LYS A 10 -6.966 3.310 -1.334 1.00 0.00 N ATOM 186 CA LYS A 10 -6.560 1.965 -1.824 1.00 0.00 C ATOM 187 C LYS A 10 -5.249 1.554 -1.154 1.00 0.00 C ATOM 188 O LYS A 10 -4.931 0.386 -1.052 1.00 0.00 O ATOM 189 CB LYS A 10 -6.368 2.010 -3.341 1.00 0.00 C ATOM 190 CG LYS A 10 -5.200 2.939 -3.679 1.00 0.00 C ATOM 191 CD LYS A 10 -4.921 2.884 -5.182 1.00 0.00 C ATOM 192 CE LYS A 10 -3.411 2.947 -5.424 1.00 0.00 C ATOM 193 NZ LYS A 10 -3.152 3.160 -6.876 1.00 0.00 N ATOM 0 H LYS A 10 -6.730 4.085 -1.954 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.336 1.239 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.173 1.008 -3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.279 2.363 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.436 3.960 -3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.312 2.641 -3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.330 1.966 -5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.416 3.715 -5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.972 3.757 -4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.939 2.023 -5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.126 3.203 -7.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.559 2.373 -7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.590 4.053 -7.179 1.00 0.00 H new ATOM 207 N LYS A 11 -4.490 2.507 -0.693 1.00 0.00 N ATOM 208 CA LYS A 11 -3.200 2.174 -0.024 1.00 0.00 C ATOM 209 C LYS A 11 -3.486 1.353 1.228 1.00 0.00 C ATOM 210 O LYS A 11 -2.689 0.540 1.651 1.00 0.00 O ATOM 211 CB LYS A 11 -2.470 3.463 0.360 1.00 0.00 C ATOM 212 CG LYS A 11 -1.091 3.487 -0.304 1.00 0.00 C ATOM 213 CD LYS A 11 -0.057 2.867 0.638 1.00 0.00 C ATOM 214 CE LYS A 11 1.323 2.907 -0.020 1.00 0.00 C ATOM 215 NZ LYS A 11 1.380 1.900 -1.117 1.00 0.00 N ATOM 0 H LYS A 11 -4.706 3.502 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.572 1.599 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.051 4.330 0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.365 3.525 1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.119 2.935 -1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.810 4.512 -0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.037 3.411 1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.331 1.838 0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.520 3.903 -0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.096 2.699 0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.367 1.769 -1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.998 0.994 -0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.815 2.233 -1.924 1.00 0.00 H new ATOM 229 N TRP A 12 -4.627 1.554 1.818 1.00 0.00 N ATOM 230 CA TRP A 12 -4.979 0.779 3.036 1.00 0.00 C ATOM 231 C TRP A 12 -5.608 -0.544 2.611 1.00 0.00 C ATOM 232 O TRP A 12 -5.210 -1.606 3.047 1.00 0.00 O ATOM 233 CB TRP A 12 -5.974 1.574 3.883 1.00 0.00 C ATOM 234 CG TRP A 12 -5.304 2.036 5.137 1.00 0.00 C ATOM 235 CD1 TRP A 12 -4.622 1.238 5.992 1.00 0.00 C ATOM 236 CD2 TRP A 12 -5.240 3.382 5.693 1.00 0.00 C ATOM 237 NE1 TRP A 12 -4.143 2.009 7.036 1.00 0.00 N ATOM 238 CE2 TRP A 12 -4.499 3.337 6.897 1.00 0.00 C ATOM 239 CE3 TRP A 12 -5.748 4.625 5.273 1.00 0.00 C ATOM 240 CZ2 TRP A 12 -4.268 4.484 7.658 1.00 0.00 C ATOM 241 CZ3 TRP A 12 -5.518 5.782 6.037 1.00 0.00 C ATOM 242 CH2 TRP A 12 -4.780 5.710 7.226 1.00 0.00 C ATOM 0 H TRP A 12 -5.333 2.223 1.509 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.083 0.590 3.627 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.345 2.430 3.320 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -6.837 0.954 4.126 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.476 0.174 5.878 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.594 1.642 7.813 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -6.318 4.690 4.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.698 4.424 8.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -5.912 6.731 5.706 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.607 6.603 7.809 1.00 0.00 H new ATOM 253 N LYS A 13 -6.581 -0.481 1.753 1.00 0.00 N ATOM 254 CA LYS A 13 -7.246 -1.726 1.280 1.00 0.00 C ATOM 255 C LYS A 13 -6.205 -2.637 0.638 1.00 0.00 C ATOM 256 O LYS A 13 -6.317 -3.846 0.666 1.00 0.00 O ATOM 257 CB LYS A 13 -8.324 -1.375 0.253 1.00 0.00 C ATOM 258 CG LYS A 13 -9.426 -0.558 0.928 1.00 0.00 C ATOM 259 CD LYS A 13 -10.153 -1.429 1.954 1.00 0.00 C ATOM 260 CE LYS A 13 -10.269 -0.671 3.278 1.00 0.00 C ATOM 261 NZ LYS A 13 -8.926 -0.581 3.920 1.00 0.00 N ATOM 0 H LYS A 13 -6.948 0.383 1.355 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.709 -2.237 2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.887 -0.807 -0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.743 -2.285 -0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.997 0.317 1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.131 -0.192 0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.145 -1.692 1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.610 -2.362 2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.668 0.328 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.967 -1.181 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.027 -0.204 4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.497 -1.527 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.317 0.051 3.363 1.00 0.00 H new ATOM 275 N VAL A 14 -5.186 -2.063 0.070 1.00 0.00 N ATOM 276 CA VAL A 14 -4.125 -2.891 -0.563 1.00 0.00 C ATOM 277 C VAL A 14 -3.168 -3.369 0.523 1.00 0.00 C ATOM 278 O VAL A 14 -2.642 -4.464 0.471 1.00 0.00 O ATOM 279 CB VAL A 14 -3.361 -2.055 -1.592 1.00 0.00 C ATOM 280 CG1 VAL A 14 -2.526 -0.995 -0.873 1.00 0.00 C ATOM 281 CG2 VAL A 14 -2.435 -2.967 -2.401 1.00 0.00 C ATOM 0 H VAL A 14 -5.041 -1.055 0.016 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.573 -3.747 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.070 -1.567 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.982 -0.400 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.183 -0.345 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.817 -1.483 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.890 -2.373 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.727 -3.454 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.028 -3.724 -2.915 1.00 0.00 H new ATOM 291 N PHE A 15 -2.954 -2.558 1.516 1.00 0.00 N ATOM 292 CA PHE A 15 -2.043 -2.959 2.623 1.00 0.00 C ATOM 293 C PHE A 15 -2.692 -4.097 3.403 1.00 0.00 C ATOM 294 O PHE A 15 -2.035 -5.010 3.861 1.00 0.00 O ATOM 295 CB PHE A 15 -1.799 -1.767 3.549 1.00 0.00 C ATOM 296 CG PHE A 15 -0.785 -2.146 4.603 1.00 0.00 C ATOM 297 CD1 PHE A 15 -1.207 -2.736 5.800 1.00 0.00 C ATOM 298 CD2 PHE A 15 0.577 -1.908 4.383 1.00 0.00 C ATOM 299 CE1 PHE A 15 -0.268 -3.088 6.777 1.00 0.00 C ATOM 300 CE2 PHE A 15 1.516 -2.260 5.359 1.00 0.00 C ATOM 301 CZ PHE A 15 1.093 -2.851 6.557 1.00 0.00 C ATOM 0 H PHE A 15 -3.371 -1.632 1.611 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.087 -3.288 2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.440 -0.914 2.974 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.733 -1.462 4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.258 -2.920 5.970 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.903 -1.453 3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.594 -3.543 7.701 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.567 -2.076 5.189 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.817 -3.123 7.310 1.00 0.00 H new ATOM 311 N LYS A 16 -3.983 -4.050 3.548 1.00 0.00 N ATOM 312 CA LYS A 16 -4.691 -5.130 4.286 1.00 0.00 C ATOM 313 C LYS A 16 -4.589 -6.427 3.484 1.00 0.00 C ATOM 314 O LYS A 16 -4.695 -7.512 4.018 1.00 0.00 O ATOM 315 CB LYS A 16 -6.165 -4.754 4.465 1.00 0.00 C ATOM 316 CG LYS A 16 -6.463 -4.551 5.952 1.00 0.00 C ATOM 317 CD LYS A 16 -6.991 -3.133 6.179 1.00 0.00 C ATOM 318 CE LYS A 16 -6.073 -2.397 7.156 1.00 0.00 C ATOM 319 NZ LYS A 16 -6.180 -3.023 8.506 1.00 0.00 N ATOM 0 H LYS A 16 -4.582 -3.308 3.186 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.236 -5.263 5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.389 -3.843 3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.803 -5.539 4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.198 -5.282 6.289 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.559 -4.712 6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.038 -2.595 5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.006 -3.170 6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.042 -2.439 6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.350 -1.344 7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.861 -2.346 9.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.170 -3.285 8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.584 -3.874 8.542 1.00 0.00 H new ATOM 333 N LYS A 17 -4.380 -6.316 2.202 1.00 0.00 N ATOM 334 CA LYS A 17 -4.266 -7.538 1.357 1.00 0.00 C ATOM 335 C LYS A 17 -2.981 -8.277 1.716 1.00 0.00 C ATOM 336 O LYS A 17 -2.947 -9.489 1.792 1.00 0.00 O ATOM 337 CB LYS A 17 -4.232 -7.139 -0.121 1.00 0.00 C ATOM 338 CG LYS A 17 -3.973 -8.380 -0.977 1.00 0.00 C ATOM 339 CD LYS A 17 -5.183 -9.313 -0.903 1.00 0.00 C ATOM 340 CE LYS A 17 -6.182 -8.944 -2.003 1.00 0.00 C ATOM 341 NZ LYS A 17 -6.595 -10.177 -2.733 1.00 0.00 N ATOM 0 H LYS A 17 -4.283 -5.432 1.702 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.124 -8.187 1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.178 -6.678 -0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.452 -6.397 -0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.787 -8.089 -2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.080 -8.897 -0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.864 -10.349 -1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.657 -9.233 0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.055 -8.456 -1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.731 -8.233 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.274 -9.927 -3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.759 -10.624 -3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.041 -10.841 -2.068 1.00 0.00 H new ATOM 355 N ILE A 18 -1.928 -7.551 1.942 1.00 0.00 N ATOM 356 CA ILE A 18 -0.637 -8.198 2.305 1.00 0.00 C ATOM 357 C ILE A 18 -0.700 -8.666 3.751 1.00 0.00 C ATOM 358 O ILE A 18 -0.062 -9.626 4.133 1.00 0.00 O ATOM 359 CB ILE A 18 0.508 -7.199 2.130 1.00 0.00 C ATOM 360 CG1 ILE A 18 0.159 -5.895 2.850 1.00 0.00 C ATOM 361 CG2 ILE A 18 0.715 -6.917 0.640 1.00 0.00 C ATOM 362 CD1 ILE A 18 1.403 -5.009 2.938 1.00 0.00 C ATOM 0 H ILE A 18 -1.903 -6.533 1.891 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.461 -9.055 1.654 1.00 0.00 H new ATOM 0 HB ILE A 18 1.422 -7.616 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.634 -5.373 2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.219 -6.110 3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.531 -6.205 0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.961 -7.845 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.199 -6.499 0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.153 -4.080 3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.183 -5.531 3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.761 -4.783 1.933 1.00 0.00 H new ATOM 374 N GLU A 19 -1.475 -8.007 4.557 1.00 0.00 N ATOM 375 CA GLU A 19 -1.587 -8.432 5.975 1.00 0.00 C ATOM 376 C GLU A 19 -2.068 -9.878 6.002 1.00 0.00 C ATOM 377 O GLU A 19 -1.598 -10.693 6.770 1.00 0.00 O ATOM 378 CB GLU A 19 -2.590 -7.536 6.706 1.00 0.00 C ATOM 379 CG GLU A 19 -1.957 -6.169 6.967 1.00 0.00 C ATOM 380 CD GLU A 19 -1.280 -6.173 8.338 1.00 0.00 C ATOM 381 OE1 GLU A 19 -1.778 -6.850 9.222 1.00 0.00 O ATOM 382 OE2 GLU A 19 -0.273 -5.498 8.482 1.00 0.00 O ATOM 0 H GLU A 19 -2.035 -7.195 4.298 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.620 -8.349 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.494 -7.422 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.887 -7.997 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.227 -5.940 6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.719 -5.390 6.928 1.00 0.00 H new ATOM 389 N LYS A 20 -2.988 -10.202 5.142 1.00 0.00 N ATOM 390 CA LYS A 20 -3.503 -11.598 5.084 1.00 0.00 C ATOM 391 C LYS A 20 -2.446 -12.483 4.432 1.00 0.00 C ATOM 392 O LYS A 20 -2.410 -13.681 4.628 1.00 0.00 O ATOM 393 CB LYS A 20 -4.791 -11.636 4.258 1.00 0.00 C ATOM 394 CG LYS A 20 -5.674 -10.445 4.634 1.00 0.00 C ATOM 395 CD LYS A 20 -7.144 -10.871 4.610 1.00 0.00 C ATOM 396 CE LYS A 20 -7.988 -9.758 3.986 1.00 0.00 C ATOM 397 NZ LYS A 20 -7.770 -8.489 4.735 1.00 0.00 N ATOM 0 H LYS A 20 -3.409 -9.558 4.472 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.717 -11.958 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.554 -11.605 3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.324 -12.569 4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.407 -10.079 5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.511 -9.623 3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.257 -11.792 4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.490 -11.080 5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.717 -9.625 2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.043 -10.030 4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.560 -7.838 4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.717 -8.692 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.880 -8.050 4.423 1.00 0.00 H new ATOM 411 N ALA A 21 -1.575 -11.891 3.665 1.00 0.00 N ATOM 412 CA ALA A 21 -0.504 -12.681 3.004 1.00 0.00 C ATOM 413 C ALA A 21 0.767 -12.603 3.852 1.00 0.00 C ATOM 414 O ALA A 21 1.742 -13.280 3.592 1.00 0.00 O ATOM 415 CB ALA A 21 -0.228 -12.106 1.613 1.00 0.00 C ATOM 0 H ALA A 21 -1.560 -10.890 3.468 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.819 -13.720 2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.558 -12.686 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.137 -12.154 1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.092 -11.068 1.705 1.00 0.00 H new ATOM 421 N GLY A 22 0.762 -11.784 4.872 1.00 0.00 N ATOM 422 CA GLY A 22 1.969 -11.667 5.740 1.00 0.00 C ATOM 423 C GLY A 22 2.725 -10.378 5.407 1.00 0.00 C ATOM 424 O GLY A 22 2.589 -9.843 4.324 1.00 0.00 O ATOM 0 H GLY A 22 -0.025 -11.193 5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.675 -11.666 6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.619 -12.529 5.592 1.00 0.00 H new ATOM 428 N PRO A 23 3.505 -9.921 6.354 1.00 0.00 N ATOM 429 CA PRO A 23 4.308 -8.696 6.203 1.00 0.00 C ATOM 430 C PRO A 23 5.560 -8.979 5.368 1.00 0.00 C ATOM 431 O PRO A 23 6.272 -8.076 4.974 1.00 0.00 O ATOM 432 CB PRO A 23 4.685 -8.333 7.642 1.00 0.00 C ATOM 433 CG PRO A 23 4.571 -9.638 8.465 1.00 0.00 C ATOM 434 CD PRO A 23 3.656 -10.586 7.666 1.00 0.00 C ATOM 0 HA PRO A 23 3.775 -7.894 5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.697 -7.931 7.689 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.019 -7.566 8.036 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.553 -10.086 8.619 1.00 0.00 H new ATOM 0 HG3 PRO A 23 4.154 -9.438 9.452 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.101 -11.576 7.562 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.693 -10.719 8.159 1.00 0.00 H new ATOM 442 N LYS A 24 5.834 -10.225 5.093 1.00 0.00 N ATOM 443 CA LYS A 24 7.038 -10.560 4.281 1.00 0.00 C ATOM 444 C LYS A 24 6.961 -9.833 2.938 1.00 0.00 C ATOM 445 O LYS A 24 7.944 -9.693 2.238 1.00 0.00 O ATOM 446 CB LYS A 24 7.093 -12.071 4.043 1.00 0.00 C ATOM 447 CG LYS A 24 8.312 -12.409 3.180 1.00 0.00 C ATOM 448 CD LYS A 24 8.888 -13.758 3.616 1.00 0.00 C ATOM 449 CE LYS A 24 10.261 -13.544 4.257 1.00 0.00 C ATOM 450 NZ LYS A 24 11.327 -13.918 3.284 1.00 0.00 N ATOM 0 H LYS A 24 5.277 -11.024 5.395 1.00 0.00 H new ATOM 0 HA LYS A 24 7.935 -10.247 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.151 -12.598 4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.181 -12.405 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.027 -12.446 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.068 -11.630 3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.215 -14.241 4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.976 -14.423 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.376 -12.502 4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.350 -14.147 5.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.260 -13.773 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.220 -14.918 3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.245 -13.324 2.434 1.00 0.00 H new ATOM 464 N TRP A 25 5.797 -9.368 2.574 1.00 0.00 N ATOM 465 CA TRP A 25 5.653 -8.648 1.278 1.00 0.00 C ATOM 466 C TRP A 25 5.874 -7.149 1.500 1.00 0.00 C ATOM 467 O TRP A 25 5.910 -6.373 0.565 1.00 0.00 O ATOM 468 CB TRP A 25 4.249 -8.881 0.717 1.00 0.00 C ATOM 469 CG TRP A 25 4.321 -9.864 -0.407 1.00 0.00 C ATOM 470 CD1 TRP A 25 4.515 -9.543 -1.707 1.00 0.00 C ATOM 471 CD2 TRP A 25 4.204 -11.315 -0.356 1.00 0.00 C ATOM 472 NE1 TRP A 25 4.526 -10.705 -2.456 1.00 0.00 N ATOM 473 CE2 TRP A 25 4.339 -11.824 -1.669 1.00 0.00 C ATOM 474 CE3 TRP A 25 3.998 -12.229 0.693 1.00 0.00 C ATOM 475 CZ2 TRP A 25 4.271 -13.192 -1.933 1.00 0.00 C ATOM 476 CZ3 TRP A 25 3.929 -13.607 0.431 1.00 0.00 C ATOM 477 CH2 TRP A 25 4.065 -14.088 -0.879 1.00 0.00 C ATOM 0 H TRP A 25 4.939 -9.456 3.119 1.00 0.00 H new ATOM 0 HA TRP A 25 6.392 -9.023 0.570 1.00 0.00 H new ATOM 0 HB2 TRP A 25 3.590 -9.255 1.500 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.825 -7.940 0.366 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.641 -8.543 -2.096 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.656 -10.732 -3.467 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.892 -11.869 1.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.377 -13.557 -2.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 3.770 -14.300 1.244 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.011 -15.149 -1.074 1.00 0.00 H new ATOM 488 N LYS A 26 6.024 -6.737 2.728 1.00 0.00 N ATOM 489 CA LYS A 26 6.245 -5.289 3.008 1.00 0.00 C ATOM 490 C LYS A 26 7.631 -5.101 3.627 1.00 0.00 C ATOM 491 O LYS A 26 8.135 -3.999 3.724 1.00 0.00 O ATOM 492 CB LYS A 26 5.177 -4.789 3.983 1.00 0.00 C ATOM 493 CG LYS A 26 4.998 -3.279 3.815 1.00 0.00 C ATOM 494 CD LYS A 26 5.983 -2.543 4.725 1.00 0.00 C ATOM 495 CE LYS A 26 5.229 -1.506 5.560 1.00 0.00 C ATOM 496 NZ LYS A 26 4.902 -2.086 6.893 1.00 0.00 N ATOM 0 H LYS A 26 6.003 -7.340 3.551 1.00 0.00 H new ATOM 0 HA LYS A 26 6.180 -4.722 2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.232 -5.301 3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.469 -5.019 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.166 -2.996 2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.975 -2.994 4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.491 -3.252 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.752 -2.054 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.836 -0.609 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.315 -1.206 5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.389 -1.382 7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.307 -2.930 6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.781 -2.352 7.381 1.00 0.00 H new ATOM 510 N VAL A 27 8.251 -6.171 4.047 1.00 0.00 N ATOM 511 CA VAL A 27 9.605 -6.057 4.659 1.00 0.00 C ATOM 512 C VAL A 27 10.602 -5.581 3.606 1.00 0.00 C ATOM 513 O VAL A 27 11.549 -4.879 3.902 1.00 0.00 O ATOM 514 CB VAL A 27 10.040 -7.423 5.194 1.00 0.00 C ATOM 515 CG1 VAL A 27 11.508 -7.360 5.620 1.00 0.00 C ATOM 516 CG2 VAL A 27 9.177 -7.797 6.400 1.00 0.00 C ATOM 0 H VAL A 27 7.878 -7.119 3.992 1.00 0.00 H new ATOM 0 HA VAL A 27 9.573 -5.339 5.479 1.00 0.00 H new ATOM 0 HB VAL A 27 9.919 -8.174 4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.818 -8.333 6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 27 12.125 -7.093 4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.628 -6.609 6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.487 -8.770 6.781 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.298 -7.046 7.181 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.130 -7.842 6.099 1.00 0.00 H new ATOM 526 N PHE A 28 10.395 -5.961 2.380 1.00 0.00 N ATOM 527 CA PHE A 28 11.327 -5.537 1.298 1.00 0.00 C ATOM 528 C PHE A 28 11.139 -4.047 1.021 1.00 0.00 C ATOM 529 O PHE A 28 12.075 -3.337 0.709 1.00 0.00 O ATOM 530 CB PHE A 28 11.030 -6.333 0.026 1.00 0.00 C ATOM 531 CG PHE A 28 11.743 -7.664 0.081 1.00 0.00 C ATOM 532 CD1 PHE A 28 11.765 -8.399 1.272 1.00 0.00 C ATOM 533 CD2 PHE A 28 12.383 -8.161 -1.060 1.00 0.00 C ATOM 534 CE1 PHE A 28 12.426 -9.632 1.322 1.00 0.00 C ATOM 535 CE2 PHE A 28 13.044 -9.394 -1.011 1.00 0.00 C ATOM 536 CZ PHE A 28 13.066 -10.129 0.180 1.00 0.00 C ATOM 0 H PHE A 28 9.619 -6.549 2.077 1.00 0.00 H new ATOM 0 HA PHE A 28 12.355 -5.723 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.956 -6.489 -0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 28 11.354 -5.772 -0.850 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.272 -8.015 2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.367 -7.593 -1.979 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.442 -10.200 2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.537 -9.778 -1.892 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.577 -11.080 0.218 1.00 0.00 H new ATOM 546 N LYS A 29 9.935 -3.572 1.136 1.00 0.00 N ATOM 547 CA LYS A 29 9.672 -2.127 0.884 1.00 0.00 C ATOM 548 C LYS A 29 10.108 -1.315 2.101 1.00 0.00 C ATOM 549 O LYS A 29 10.518 -0.176 1.989 1.00 0.00 O ATOM 550 CB LYS A 29 8.177 -1.917 0.635 1.00 0.00 C ATOM 551 CG LYS A 29 7.949 -1.549 -0.832 1.00 0.00 C ATOM 552 CD LYS A 29 7.255 -0.189 -0.915 1.00 0.00 C ATOM 553 CE LYS A 29 5.746 -0.374 -0.747 1.00 0.00 C ATOM 554 NZ LYS A 29 5.026 0.589 -1.628 1.00 0.00 N ATOM 0 H LYS A 29 9.116 -4.122 1.395 1.00 0.00 H new ATOM 0 HA LYS A 29 10.233 -1.800 0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.626 -2.824 0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.798 -1.126 1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.901 -1.516 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.339 -2.310 -1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.639 0.475 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.470 0.283 -1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.464 -1.396 -1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.463 -0.213 0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.000 0.463 -1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.287 1.561 -1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.288 0.415 -2.619 1.00 0.00 H new ATOM 568 N LYS A 30 10.023 -1.895 3.261 1.00 0.00 N ATOM 569 CA LYS A 30 10.431 -1.165 4.493 1.00 0.00 C ATOM 570 C LYS A 30 11.911 -0.802 4.398 1.00 0.00 C ATOM 571 O LYS A 30 12.355 0.195 4.931 1.00 0.00 O ATOM 572 CB LYS A 30 10.197 -2.054 5.716 1.00 0.00 C ATOM 573 CG LYS A 30 9.902 -1.178 6.935 1.00 0.00 C ATOM 574 CD LYS A 30 10.506 -1.820 8.186 1.00 0.00 C ATOM 575 CE LYS A 30 9.408 -2.048 9.225 1.00 0.00 C ATOM 576 NZ LYS A 30 9.739 -1.300 10.470 1.00 0.00 N ATOM 0 H LYS A 30 9.688 -2.846 3.412 1.00 0.00 H new ATOM 0 HA LYS A 30 9.839 -0.255 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.364 -2.732 5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.075 -2.672 5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.318 -0.181 6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.826 -1.059 7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.980 -2.767 7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.283 -1.177 8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.447 -1.715 8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.313 -3.112 9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.992 -1.455 11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.648 -1.638 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.808 -0.284 10.257 1.00 0.00 H new ATOM 590 N ILE A 31 12.674 -1.608 3.721 1.00 0.00 N ATOM 591 CA ILE A 31 14.129 -1.321 3.581 1.00 0.00 C ATOM 592 C ILE A 31 14.317 -0.025 2.797 1.00 0.00 C ATOM 593 O ILE A 31 15.203 0.761 3.069 1.00 0.00 O ATOM 594 CB ILE A 31 14.803 -2.472 2.831 1.00 0.00 C ATOM 595 CG1 ILE A 31 14.842 -3.711 3.730 1.00 0.00 C ATOM 596 CG2 ILE A 31 16.228 -2.070 2.451 1.00 0.00 C ATOM 597 CD1 ILE A 31 15.733 -3.438 4.943 1.00 0.00 C ATOM 0 H ILE A 31 12.354 -2.457 3.256 1.00 0.00 H new ATOM 0 HA ILE A 31 14.578 -1.217 4.569 1.00 0.00 H new ATOM 0 HB ILE A 31 14.238 -2.697 1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.834 -3.967 4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 31 15.223 -4.566 3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.707 -2.890 1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.199 -1.188 1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.795 -1.844 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.759 -4.321 5.581 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.743 -3.203 4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 31 15.333 -2.595 5.506 1.00 0.00 H new ATOM 609 N GLU A 32 13.485 0.200 1.825 1.00 0.00 N ATOM 610 CA GLU A 32 13.599 1.443 1.010 1.00 0.00 C ATOM 611 C GLU A 32 13.218 2.650 1.864 1.00 0.00 C ATOM 612 O GLU A 32 13.690 3.750 1.653 1.00 0.00 O ATOM 613 CB GLU A 32 12.660 1.352 -0.195 1.00 0.00 C ATOM 614 CG GLU A 32 12.622 2.701 -0.917 1.00 0.00 C ATOM 615 CD GLU A 32 12.479 2.471 -2.422 1.00 0.00 C ATOM 616 OE1 GLU A 32 12.871 1.410 -2.879 1.00 0.00 O ATOM 617 OE2 GLU A 32 11.980 3.360 -3.092 1.00 0.00 O ATOM 0 H GLU A 32 12.725 -0.425 1.556 1.00 0.00 H new ATOM 0 HA GLU A 32 14.626 1.555 0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.001 0.572 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.658 1.074 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.788 3.299 -0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.533 3.262 -0.709 1.00 0.00 H new ATOM 624 N LYS A 33 12.366 2.451 2.826 1.00 0.00 N ATOM 625 CA LYS A 33 11.947 3.582 3.700 1.00 0.00 C ATOM 626 C LYS A 33 12.620 3.448 5.067 1.00 0.00 C ATOM 627 O LYS A 33 11.958 3.362 6.082 1.00 0.00 O ATOM 628 CB LYS A 33 10.427 3.557 3.874 1.00 0.00 C ATOM 629 CG LYS A 33 9.754 3.976 2.565 1.00 0.00 C ATOM 630 CD LYS A 33 9.492 2.738 1.705 1.00 0.00 C ATOM 631 CE LYS A 33 8.003 2.391 1.747 1.00 0.00 C ATOM 632 NZ LYS A 33 7.337 2.909 0.518 1.00 0.00 N ATOM 0 H LYS A 33 11.939 1.551 3.047 1.00 0.00 H new ATOM 0 HA LYS A 33 12.244 4.525 3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.100 2.557 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.132 4.231 4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.816 4.491 2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.390 4.678 2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.804 2.924 0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.082 1.897 2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.872 1.311 1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.542 2.826 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.370 2.531 0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.302 3.948 0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.874 2.610 -0.321 1.00 0.00 H new HETATM 646 N NH2 A 34 13.922 3.430 5.139 1.00 0.00 N TER 649 NH2 A 34