USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 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: B 31 LYS NZ :NH3+ -143:sc= -0.508 (180deg=-0.729) USER MOD Set 1.2: B 34 LYS NZ :NH3+ 169:sc= -1.33! (180deg=-1.9) USER MOD Set 2.1: B 27 MET CE :methyl -174:sc= -0.214 (180deg=-0.317) USER MOD Set 2.2: B 30 LYS NZ :NH3+ -134:sc= -1.32 (180deg=-3.59!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 80:sc= 0.359 USER MOD Single : A 14 THR OG1 : rot -178:sc= 0.989 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0912) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 78:sc= 0.503 USER MOD Single : A 29 TYR OH : rot 52:sc= 0.153 USER MOD Single : A 31 LYS NZ :NH3+ 140:sc= -1.01 (180deg=-2.36!) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= -2.35! (180deg=-3.01!) USER MOD Single : B 1 TRP N :NH3+ -116:sc= 0.0458 (180deg=0) USER MOD Single : B 2 SER OG : rot 140:sc=-0.00505 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ -143:sc= 0.588 (180deg=-0.225) USER MOD Single : B 8 THR OG1 : rot 74:sc= 0.228 USER MOD Single : B 12 THR OG1 : rot -160:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 162:sc= -1.01 (180deg=-1.76) USER MOD Single : B 15 SER OG : rot 78:sc= 0.041 USER MOD Single : B 16 MET CE :methyl 174:sc= -0.776 (180deg=-0.814) USER MOD Single : B 18 LYS NZ :NH3+ -141:sc= -0.977 (180deg=-3.15!) USER MOD Single : B 19 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.92) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 157:sc= -0.513 (180deg=-1.75!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.050 -16.743 -0.649 1.00 0.00 N ATOM 2 CA GLY A 1 2.091 -17.204 0.281 1.00 0.00 C ATOM 3 C GLY A 1 2.403 -16.136 1.333 1.00 0.00 C ATOM 4 O GLY A 1 2.211 -16.302 2.538 1.00 0.00 O ATOM 0 H1 GLY A 1 0.858 -17.486 -1.351 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.180 -16.534 -0.120 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.375 -15.883 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.763 -18.119 0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.997 -17.448 -0.274 1.00 0.00 H new ATOM 10 N VAL A 2 2.905 -15.003 0.835 1.00 0.00 N ATOM 11 CA VAL A 2 3.205 -13.839 1.694 1.00 0.00 C ATOM 12 C VAL A 2 1.931 -13.287 2.354 1.00 0.00 C ATOM 13 O VAL A 2 1.857 -13.015 3.553 1.00 0.00 O ATOM 14 CB VAL A 2 3.940 -12.750 0.865 1.00 0.00 C ATOM 15 CG1 VAL A 2 3.113 -12.202 -0.324 1.00 0.00 C ATOM 16 CG2 VAL A 2 4.454 -11.603 1.761 1.00 0.00 C ATOM 0 H VAL A 2 3.114 -14.860 -0.153 1.00 0.00 H new ATOM 0 HA VAL A 2 3.863 -14.160 2.502 1.00 0.00 H new ATOM 0 HB VAL A 2 4.799 -13.255 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.694 -11.447 -0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.871 -13.018 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.191 -11.756 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.962 -10.861 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.612 -11.136 2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.151 -12.002 2.498 1.00 0.00 H new ATOM 26 N ILE A 3 0.901 -13.135 1.518 1.00 0.00 N ATOM 27 CA ILE A 3 -0.419 -12.641 1.954 1.00 0.00 C ATOM 28 C ILE A 3 -1.514 -13.365 1.146 1.00 0.00 C ATOM 29 O ILE A 3 -1.393 -13.548 -0.066 1.00 0.00 O ATOM 30 CB ILE A 3 -0.491 -11.109 1.706 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.539 -10.344 2.577 1.00 0.00 C ATOM 32 CG2 ILE A 3 -1.918 -10.545 1.902 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.551 -8.814 2.364 1.00 0.00 C ATOM 0 H ILE A 3 0.952 -13.349 0.522 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.569 -12.838 3.016 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.229 -10.951 0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.331 -10.550 3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.535 -10.735 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.913 -9.471 1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.600 -11.031 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.247 -10.736 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.301 -8.362 3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.791 -8.593 1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.431 -8.406 2.604 1.00 0.00 H new ATOM 45 N PRO A 4 -2.611 -13.794 1.788 1.00 0.00 N ATOM 46 CA PRO A 4 -3.709 -14.512 1.116 1.00 0.00 C ATOM 47 C PRO A 4 -4.688 -13.580 0.392 1.00 0.00 C ATOM 48 O PRO A 4 -4.718 -12.362 0.561 1.00 0.00 O ATOM 49 CB PRO A 4 -4.414 -15.207 2.292 1.00 0.00 C ATOM 50 CG PRO A 4 -4.291 -14.177 3.404 1.00 0.00 C ATOM 51 CD PRO A 4 -2.856 -13.658 3.235 1.00 0.00 C ATOM 0 HA PRO A 4 -3.343 -15.181 0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.455 -15.435 2.064 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.932 -16.148 2.555 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.025 -13.378 3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.446 -14.623 4.386 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -2.762 -12.623 3.563 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.146 -14.243 3.819 1.00 0.00 H new ATOM 59 N LYS A 5 -5.535 -14.218 -0.420 1.00 0.00 N ATOM 60 CA LYS A 5 -6.586 -13.512 -1.178 1.00 0.00 C ATOM 61 C LYS A 5 -7.497 -12.686 -0.261 1.00 0.00 C ATOM 62 O LYS A 5 -7.860 -11.547 -0.547 1.00 0.00 O ATOM 63 CB LYS A 5 -7.426 -14.535 -1.977 1.00 0.00 C ATOM 64 CG LYS A 5 -8.572 -13.878 -2.779 1.00 0.00 C ATOM 65 CD LYS A 5 -9.380 -14.877 -3.633 1.00 0.00 C ATOM 66 CE LYS A 5 -8.560 -15.470 -4.796 1.00 0.00 C ATOM 67 NZ LYS A 5 -9.411 -16.367 -5.589 1.00 0.00 N ATOM 0 H LYS A 5 -5.518 -15.226 -0.574 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.097 -12.819 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.774 -15.076 -2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.845 -15.269 -1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.247 -13.376 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.155 -13.110 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.737 -15.687 -2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.261 -14.376 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.171 -14.670 -5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.701 -16.016 -4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.858 -16.767 -6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.762 -17.137 -4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.217 -15.833 -5.971 1.00 0.00 H new ATOM 81 N LYS A 6 -7.866 -13.297 0.869 1.00 0.00 N ATOM 82 CA LYS A 6 -8.734 -12.649 1.872 1.00 0.00 C ATOM 83 C LYS A 6 -8.250 -11.238 2.237 1.00 0.00 C ATOM 84 O LYS A 6 -8.980 -10.249 2.172 1.00 0.00 O ATOM 85 CB LYS A 6 -8.785 -13.536 3.139 1.00 0.00 C ATOM 86 CG LYS A 6 -9.676 -12.958 4.264 1.00 0.00 C ATOM 87 CD LYS A 6 -11.131 -12.669 3.826 1.00 0.00 C ATOM 88 CE LYS A 6 -11.869 -13.924 3.311 1.00 0.00 C ATOM 89 NZ LYS A 6 -13.233 -13.554 2.908 1.00 0.00 N ATOM 0 H LYS A 6 -7.579 -14.244 1.118 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.729 -12.542 1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.155 -14.524 2.866 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.773 -13.669 3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.691 -13.659 5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.227 -12.035 4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.682 -12.251 4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.125 -11.911 3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.332 -14.355 2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.902 -14.686 4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.733 -14.397 2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.742 -13.162 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.190 -12.841 2.152 1.00 0.00 H new ATOM 103 N ILE A 7 -6.972 -11.162 2.620 1.00 0.00 N ATOM 104 CA ILE A 7 -6.347 -9.872 2.965 1.00 0.00 C ATOM 105 C ILE A 7 -6.369 -8.896 1.781 1.00 0.00 C ATOM 106 O ILE A 7 -6.771 -7.743 1.903 1.00 0.00 O ATOM 107 CB ILE A 7 -4.897 -10.096 3.472 1.00 0.00 C ATOM 108 CG1 ILE A 7 -4.857 -10.925 4.780 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.110 -8.772 3.635 1.00 0.00 C ATOM 110 CD1 ILE A 7 -5.540 -10.236 5.982 1.00 0.00 C ATOM 0 H ILE A 7 -6.351 -11.967 2.700 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.932 -9.420 3.766 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.398 -10.675 2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.339 -11.886 4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.818 -11.132 5.035 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.103 -8.989 3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.052 -8.262 2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.620 -8.132 4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.469 -10.880 6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.044 -9.287 6.188 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.589 -10.054 5.749 1.00 0.00 H new ATOM 122 N TRP A 8 -5.933 -9.380 0.612 1.00 0.00 N ATOM 123 CA TRP A 8 -5.871 -8.549 -0.611 1.00 0.00 C ATOM 124 C TRP A 8 -7.196 -7.848 -0.956 1.00 0.00 C ATOM 125 O TRP A 8 -7.252 -6.690 -1.369 1.00 0.00 O ATOM 126 CB TRP A 8 -5.395 -9.406 -1.805 1.00 0.00 C ATOM 127 CG TRP A 8 -3.917 -9.778 -1.631 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.364 -11.067 -1.705 1.00 0.00 C ATOM 129 CD2 TRP A 8 -2.827 -8.918 -1.393 1.00 0.00 C ATOM 130 NE1 TRP A 8 -2.019 -11.034 -1.517 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.665 -9.731 -1.323 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.712 -7.532 -1.260 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.422 -9.131 -1.104 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.465 -6.947 -1.047 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.321 -7.745 -0.966 1.00 0.00 C ATOM 0 H TRP A 8 -5.617 -10.341 0.480 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.154 -7.754 -0.405 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.999 -10.310 -1.878 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.532 -8.855 -2.736 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.933 -11.966 -1.887 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.389 -11.836 -1.520 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.593 -6.911 -1.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.466 -9.743 -1.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.383 -5.875 -0.944 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.643 -7.289 -0.796 1.00 0.00 H new ATOM 146 N GLU A 9 -8.290 -8.593 -0.786 1.00 0.00 N ATOM 147 CA GLU A 9 -9.647 -8.063 -1.009 1.00 0.00 C ATOM 148 C GLU A 9 -9.990 -6.935 -0.025 1.00 0.00 C ATOM 149 O GLU A 9 -10.476 -5.860 -0.377 1.00 0.00 O ATOM 150 CB GLU A 9 -10.663 -9.217 -0.855 1.00 0.00 C ATOM 151 CG GLU A 9 -10.479 -10.301 -1.942 1.00 0.00 C ATOM 152 CD GLU A 9 -11.339 -11.535 -1.638 1.00 0.00 C ATOM 153 OE1 GLU A 9 -11.110 -12.181 -0.617 1.00 0.00 O ATOM 154 OE2 GLU A 9 -12.226 -11.842 -2.434 1.00 0.00 O ATOM 0 H GLU A 9 -8.268 -9.570 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.692 -7.644 -2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.551 -9.669 0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.676 -8.818 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.751 -9.894 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.429 -10.590 -1.999 1.00 0.00 H new ATOM 161 N THR A 10 -9.720 -7.213 1.253 1.00 0.00 N ATOM 162 CA THR A 10 -10.019 -6.270 2.349 1.00 0.00 C ATOM 163 C THR A 10 -9.245 -4.946 2.227 1.00 0.00 C ATOM 164 O THR A 10 -9.765 -3.847 2.418 1.00 0.00 O ATOM 165 CB THR A 10 -9.705 -6.959 3.700 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.478 -8.158 3.809 1.00 0.00 O ATOM 167 CG2 THR A 10 -10.020 -6.064 4.917 1.00 0.00 C ATOM 0 H THR A 10 -9.293 -8.086 1.562 1.00 0.00 H new ATOM 0 HA THR A 10 -11.076 -6.011 2.290 1.00 0.00 H new ATOM 0 HB THR A 10 -8.636 -7.170 3.708 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.045 -8.874 3.298 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.780 -6.600 5.835 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.424 -5.153 4.863 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.079 -5.806 4.914 1.00 0.00 H new ATOM 175 N VAL A 11 -7.954 -5.074 1.902 1.00 0.00 N ATOM 176 CA VAL A 11 -7.051 -3.913 1.792 1.00 0.00 C ATOM 177 C VAL A 11 -7.377 -3.008 0.597 1.00 0.00 C ATOM 178 O VAL A 11 -7.254 -1.790 0.680 1.00 0.00 O ATOM 179 CB VAL A 11 -5.560 -4.343 1.753 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.143 -5.088 3.038 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.189 -5.153 0.495 1.00 0.00 C ATOM 0 H VAL A 11 -7.506 -5.970 1.709 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.219 -3.326 2.695 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.990 -3.416 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.093 -5.371 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.288 -4.436 3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.754 -5.984 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.133 -5.421 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.792 -6.060 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.379 -4.552 -0.394 1.00 0.00 H new ATOM 191 N CYS A 12 -7.801 -3.630 -0.517 1.00 0.00 N ATOM 192 CA CYS A 12 -8.082 -2.941 -1.803 1.00 0.00 C ATOM 193 C CYS A 12 -8.412 -1.435 -1.712 1.00 0.00 C ATOM 194 O CYS A 12 -7.666 -0.613 -2.244 1.00 0.00 O ATOM 195 CB CYS A 12 -9.242 -3.656 -2.537 1.00 0.00 C ATOM 196 SG CYS A 12 -8.779 -5.090 -3.543 1.00 0.00 S ATOM 0 H CYS A 12 -7.962 -4.636 -0.557 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.141 -3.001 -2.350 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.972 -3.978 -1.794 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.740 -2.931 -3.180 1.00 0.00 H new ATOM 201 N PRO A 13 -9.503 -1.021 -1.043 1.00 0.00 N ATOM 202 CA PRO A 13 -9.909 0.395 -0.939 1.00 0.00 C ATOM 203 C PRO A 13 -8.913 1.271 -0.166 1.00 0.00 C ATOM 204 O PRO A 13 -8.570 2.390 -0.548 1.00 0.00 O ATOM 205 CB PRO A 13 -11.269 0.331 -0.217 1.00 0.00 C ATOM 206 CG PRO A 13 -11.169 -0.937 0.618 1.00 0.00 C ATOM 207 CD PRO A 13 -10.441 -1.901 -0.326 1.00 0.00 C ATOM 0 HA PRO A 13 -9.954 0.864 -1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.434 1.210 0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.097 0.282 -0.924 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.611 -0.773 1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.151 -1.313 0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.919 -2.685 0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.132 -2.395 -1.009 1.00 0.00 H new ATOM 215 N THR A 14 -8.457 0.736 0.969 1.00 0.00 N ATOM 216 CA THR A 14 -7.478 1.426 1.833 1.00 0.00 C ATOM 217 C THR A 14 -6.178 1.750 1.079 1.00 0.00 C ATOM 218 O THR A 14 -5.660 2.866 1.082 1.00 0.00 O ATOM 219 CB THR A 14 -7.165 0.529 3.057 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.385 0.187 3.721 1.00 0.00 O ATOM 221 CG2 THR A 14 -6.228 1.218 4.070 1.00 0.00 C ATOM 0 H THR A 14 -8.748 -0.177 1.318 1.00 0.00 H new ATOM 0 HA THR A 14 -7.913 2.372 2.156 1.00 0.00 H new ATOM 0 HB THR A 14 -6.659 -0.361 2.683 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.186 -0.356 4.512 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.041 0.546 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.284 1.463 3.584 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.696 2.132 4.435 1.00 0.00 H new ATOM 229 N VAL A 15 -5.638 0.713 0.431 1.00 0.00 N ATOM 230 CA VAL A 15 -4.392 0.835 -0.346 1.00 0.00 C ATOM 231 C VAL A 15 -4.601 1.367 -1.775 1.00 0.00 C ATOM 232 O VAL A 15 -3.671 1.490 -2.571 1.00 0.00 O ATOM 233 CB VAL A 15 -3.666 -0.537 -0.385 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.376 -1.063 1.039 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.410 -1.594 -1.232 1.00 0.00 C ATOM 0 H VAL A 15 -6.042 -0.224 0.427 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.778 1.577 0.164 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.713 -0.361 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.867 -2.025 0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.742 -0.351 1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.314 -1.184 1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.851 -2.530 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.404 -1.759 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.500 -1.240 -2.259 1.00 0.00 H new ATOM 245 N GLU A 16 -5.858 1.689 -2.108 1.00 0.00 N ATOM 246 CA GLU A 16 -6.191 2.248 -3.433 1.00 0.00 C ATOM 247 C GLU A 16 -5.423 3.555 -3.704 1.00 0.00 C ATOM 248 O GLU A 16 -4.653 3.625 -4.662 1.00 0.00 O ATOM 249 CB GLU A 16 -7.725 2.452 -3.553 1.00 0.00 C ATOM 250 CG GLU A 16 -8.227 2.964 -4.929 1.00 0.00 C ATOM 251 CD GLU A 16 -7.804 4.421 -5.187 1.00 0.00 C ATOM 252 OE1 GLU A 16 -8.241 5.305 -4.455 1.00 0.00 O ATOM 253 OE2 GLU A 16 -7.041 4.654 -6.124 1.00 0.00 O ATOM 0 H GLU A 16 -6.658 1.575 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.878 1.535 -4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.218 1.504 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.041 3.158 -2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.833 2.326 -5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.314 2.888 -4.970 1.00 0.00 H new ATOM 260 N PRO A 17 -5.574 4.608 -2.882 1.00 0.00 N ATOM 261 CA PRO A 17 -4.912 5.905 -3.104 1.00 0.00 C ATOM 262 C PRO A 17 -3.381 5.819 -3.095 1.00 0.00 C ATOM 263 O PRO A 17 -2.683 6.428 -3.907 1.00 0.00 O ATOM 264 CB PRO A 17 -5.428 6.791 -1.959 1.00 0.00 C ATOM 265 CG PRO A 17 -5.761 5.793 -0.861 1.00 0.00 C ATOM 266 CD PRO A 17 -6.378 4.634 -1.649 1.00 0.00 C ATOM 0 HA PRO A 17 -5.146 6.300 -4.093 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.674 7.508 -1.635 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.305 7.365 -2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.873 5.483 -0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.459 6.207 -0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.310 3.693 -1.103 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.434 4.805 -1.859 1.00 0.00 H new ATOM 274 N TRP A 18 -2.853 5.044 -2.136 1.00 0.00 N ATOM 275 CA TRP A 18 -1.393 4.884 -2.010 1.00 0.00 C ATOM 276 C TRP A 18 -0.780 4.241 -3.262 1.00 0.00 C ATOM 277 O TRP A 18 0.033 4.826 -3.976 1.00 0.00 O ATOM 278 CB TRP A 18 -1.012 4.043 -0.764 1.00 0.00 C ATOM 279 CG TRP A 18 -1.521 4.673 0.540 1.00 0.00 C ATOM 280 CD1 TRP A 18 -1.479 6.030 0.906 1.00 0.00 C ATOM 281 CD2 TRP A 18 -2.041 4.003 1.662 1.00 0.00 C ATOM 282 NE1 TRP A 18 -1.936 6.211 2.172 1.00 0.00 N ATOM 283 CE2 TRP A 18 -2.287 4.986 2.658 1.00 0.00 C ATOM 284 CE3 TRP A 18 -2.297 2.659 1.932 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -2.799 4.590 3.895 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -2.810 2.280 3.176 1.00 0.00 C ATOM 287 CH2 TRP A 18 -3.062 3.244 4.154 1.00 0.00 C ATOM 0 H TRP A 18 -3.400 4.527 -1.448 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.986 5.889 -1.895 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.425 3.039 -0.866 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.072 3.939 -0.716 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.129 6.825 0.264 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.004 7.100 2.668 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.099 1.910 1.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.993 5.330 4.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.012 1.239 3.381 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.461 2.948 5.113 1.00 0.00 H new ATOM 298 N ALA A 19 -1.220 3.008 -3.534 1.00 0.00 N ATOM 299 CA ALA A 19 -0.713 2.210 -4.671 1.00 0.00 C ATOM 300 C ALA A 19 -0.827 2.944 -6.014 1.00 0.00 C ATOM 301 O ALA A 19 0.080 2.958 -6.847 1.00 0.00 O ATOM 302 CB ALA A 19 -1.490 0.880 -4.748 1.00 0.00 C ATOM 0 H ALA A 19 -1.932 2.532 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 19 0.347 2.031 -4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.118 0.289 -5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.351 0.323 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.551 1.086 -4.892 1.00 0.00 H new ATOM 308 N LYS A 20 -1.998 3.559 -6.214 1.00 0.00 N ATOM 309 CA LYS A 20 -2.270 4.369 -7.416 1.00 0.00 C ATOM 310 C LYS A 20 -1.199 5.450 -7.617 1.00 0.00 C ATOM 311 O LYS A 20 -0.544 5.566 -8.654 1.00 0.00 O ATOM 312 CB LYS A 20 -3.662 5.025 -7.262 1.00 0.00 C ATOM 313 CG LYS A 20 -4.029 5.988 -8.412 1.00 0.00 C ATOM 314 CD LYS A 20 -5.414 6.633 -8.215 1.00 0.00 C ATOM 315 CE LYS A 20 -5.744 7.669 -9.307 1.00 0.00 C ATOM 316 NZ LYS A 20 -7.069 8.250 -9.045 1.00 0.00 N ATOM 0 H LYS A 20 -2.778 3.513 -5.558 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.250 3.721 -8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.418 4.242 -7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.693 5.571 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.273 6.770 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.015 5.444 -9.357 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.177 5.855 -8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.451 7.115 -7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.987 8.453 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.730 7.196 -10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.293 8.949 -9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.786 7.497 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.066 8.715 -8.115 1.00 0.00 H new ATOM 330 N LYS A 21 -1.036 6.263 -6.570 1.00 0.00 N ATOM 331 CA LYS A 21 -0.032 7.341 -6.561 1.00 0.00 C ATOM 332 C LYS A 21 1.331 6.840 -6.049 1.00 0.00 C ATOM 333 O LYS A 21 1.940 7.359 -5.113 1.00 0.00 O ATOM 334 CB LYS A 21 -0.564 8.489 -5.674 1.00 0.00 C ATOM 335 CG LYS A 21 -1.847 9.141 -6.232 1.00 0.00 C ATOM 336 CD LYS A 21 -2.425 10.224 -5.292 1.00 0.00 C ATOM 337 CE LYS A 21 -1.441 11.375 -4.984 1.00 0.00 C ATOM 338 NZ LYS A 21 -1.042 12.041 -6.232 1.00 0.00 N ATOM 0 H LYS A 21 -1.586 6.198 -5.713 1.00 0.00 H new ATOM 0 HA LYS A 21 0.127 7.696 -7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.764 8.104 -4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.209 9.251 -5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.630 9.587 -7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.599 8.370 -6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.326 10.640 -5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.725 9.755 -4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.908 12.094 -4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.561 10.985 -4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.476 12.885 -6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.476 11.387 -6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.891 12.323 -6.762 1.00 0.00 H new ATOM 352 N CYS A 22 1.828 5.793 -6.714 1.00 0.00 N ATOM 353 CA CYS A 22 3.128 5.200 -6.350 1.00 0.00 C ATOM 354 C CYS A 22 3.793 4.534 -7.564 1.00 0.00 C ATOM 355 O CYS A 22 3.233 4.393 -8.653 1.00 0.00 O ATOM 356 CB CYS A 22 2.919 4.152 -5.230 1.00 0.00 C ATOM 357 SG CYS A 22 4.480 3.652 -4.468 1.00 0.00 S ATOM 0 H CYS A 22 1.360 5.340 -7.499 1.00 0.00 H new ATOM 0 HA CYS A 22 3.784 5.996 -5.998 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.259 4.564 -4.467 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.420 3.275 -5.643 1.00 0.00 H new ATOM 362 N SER A 23 5.042 4.109 -7.344 1.00 0.00 N ATOM 363 CA SER A 23 5.849 3.456 -8.392 1.00 0.00 C ATOM 364 C SER A 23 6.757 2.363 -7.807 1.00 0.00 C ATOM 365 O SER A 23 6.802 2.081 -6.608 1.00 0.00 O ATOM 366 CB SER A 23 6.713 4.530 -9.097 1.00 0.00 C ATOM 367 OG SER A 23 5.875 5.495 -9.735 1.00 0.00 O ATOM 0 H SER A 23 5.521 4.204 -6.448 1.00 0.00 H new ATOM 0 HA SER A 23 5.175 2.980 -9.104 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.359 5.022 -8.370 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.363 4.058 -9.834 1.00 0.00 H new ATOM 0 HG SER A 23 6.431 6.170 -10.176 1.00 0.00 H new ATOM 373 N GLY A 24 7.503 1.729 -8.716 1.00 0.00 N ATOM 374 CA GLY A 24 8.429 0.642 -8.351 1.00 0.00 C ATOM 375 C GLY A 24 7.758 -0.735 -8.337 1.00 0.00 C ATOM 376 O GLY A 24 6.557 -0.922 -8.529 1.00 0.00 O ATOM 0 H GLY A 24 7.487 1.947 -9.712 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.260 0.628 -9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.850 0.845 -7.366 1.00 0.00 H new ATOM 380 N ASP A 25 8.611 -1.729 -8.078 1.00 0.00 N ATOM 381 CA ASP A 25 8.219 -3.151 -8.110 1.00 0.00 C ATOM 382 C ASP A 25 7.102 -3.490 -7.114 1.00 0.00 C ATOM 383 O ASP A 25 6.138 -4.194 -7.410 1.00 0.00 O ATOM 384 CB ASP A 25 9.447 -4.043 -7.809 1.00 0.00 C ATOM 385 CG ASP A 25 10.513 -3.900 -8.911 1.00 0.00 C ATOM 386 OD1 ASP A 25 11.149 -2.852 -8.993 1.00 0.00 O ATOM 387 OD2 ASP A 25 10.690 -4.845 -9.679 1.00 0.00 O ATOM 0 H ASP A 25 9.591 -1.578 -7.840 1.00 0.00 H new ATOM 0 HA ASP A 25 7.835 -3.344 -9.112 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.875 -3.767 -6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.135 -5.085 -7.732 1.00 0.00 H new ATOM 392 N ILE A 26 7.267 -2.978 -5.891 1.00 0.00 N ATOM 393 CA ILE A 26 6.307 -3.239 -4.800 1.00 0.00 C ATOM 394 C ILE A 26 4.902 -2.723 -5.147 1.00 0.00 C ATOM 395 O ILE A 26 3.890 -3.404 -5.001 1.00 0.00 O ATOM 396 CB ILE A 26 6.797 -2.579 -3.488 1.00 0.00 C ATOM 397 CG1 ILE A 26 8.265 -2.928 -3.146 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.860 -2.940 -2.312 1.00 0.00 C ATOM 399 CD1 ILE A 26 8.524 -4.436 -2.944 1.00 0.00 C ATOM 0 H ILE A 26 8.051 -2.382 -5.626 1.00 0.00 H new ATOM 0 HA ILE A 26 6.247 -4.319 -4.665 1.00 0.00 H new ATOM 0 HB ILE A 26 6.765 -1.502 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.910 -2.564 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.552 -2.396 -2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.222 -2.466 -1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.852 -2.587 -2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.845 -4.022 -2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.576 -4.596 -2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.908 -4.804 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.271 -4.974 -3.858 1.00 0.00 H new ATOM 411 N ALA A 27 4.859 -1.467 -5.610 1.00 0.00 N ATOM 412 CA ALA A 27 3.593 -0.835 -6.036 1.00 0.00 C ATOM 413 C ALA A 27 2.858 -1.681 -7.088 1.00 0.00 C ATOM 414 O ALA A 27 1.655 -1.934 -7.024 1.00 0.00 O ATOM 415 CB ALA A 27 3.889 0.564 -6.616 1.00 0.00 C ATOM 0 H ALA A 27 5.679 -0.867 -5.701 1.00 0.00 H new ATOM 0 HA ALA A 27 2.947 -0.754 -5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.956 1.032 -6.931 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.365 1.181 -5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.555 0.469 -7.474 1.00 0.00 H new ATOM 421 N THR A 28 3.637 -2.124 -8.079 1.00 0.00 N ATOM 422 CA THR A 28 3.129 -2.983 -9.167 1.00 0.00 C ATOM 423 C THR A 28 2.532 -4.296 -8.634 1.00 0.00 C ATOM 424 O THR A 28 1.472 -4.762 -9.051 1.00 0.00 O ATOM 425 CB THR A 28 4.284 -3.290 -10.152 1.00 0.00 C ATOM 426 OG1 THR A 28 4.806 -2.061 -10.665 1.00 0.00 O ATOM 427 CG2 THR A 28 3.848 -4.173 -11.340 1.00 0.00 C ATOM 0 H THR A 28 4.630 -1.903 -8.155 1.00 0.00 H new ATOM 0 HA THR A 28 2.329 -2.447 -9.677 1.00 0.00 H new ATOM 0 HB THR A 28 5.039 -3.842 -9.592 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.389 -1.648 -9.994 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.702 -4.352 -11.993 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.471 -5.125 -10.967 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.062 -3.667 -11.901 1.00 0.00 H new ATOM 435 N TYR A 29 3.255 -4.902 -7.686 1.00 0.00 N ATOM 436 CA TYR A 29 2.840 -6.183 -7.085 1.00 0.00 C ATOM 437 C TYR A 29 1.466 -6.069 -6.416 1.00 0.00 C ATOM 438 O TYR A 29 0.522 -6.790 -6.724 1.00 0.00 O ATOM 439 CB TYR A 29 3.918 -6.651 -6.073 1.00 0.00 C ATOM 440 CG TYR A 29 3.581 -7.948 -5.364 1.00 0.00 C ATOM 441 CD1 TYR A 29 2.600 -7.976 -4.364 1.00 0.00 C ATOM 442 CD2 TYR A 29 4.231 -9.131 -5.727 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.270 -9.180 -3.740 1.00 0.00 C ATOM 444 CE2 TYR A 29 3.900 -10.336 -5.101 1.00 0.00 C ATOM 445 CZ TYR A 29 2.918 -10.362 -4.109 1.00 0.00 C ATOM 446 OH TYR A 29 2.581 -11.553 -3.499 1.00 0.00 O ATOM 0 H TYR A 29 4.130 -4.530 -7.316 1.00 0.00 H new ATOM 0 HA TYR A 29 2.747 -6.927 -7.876 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.865 -6.772 -6.598 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.065 -5.869 -5.327 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.098 -7.064 -4.076 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.991 -9.114 -6.494 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.512 -9.198 -2.970 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.404 -11.248 -5.385 1.00 0.00 H new ATOM 0 HH TYR A 29 1.610 -11.679 -3.541 1.00 0.00 H new ATOM 456 N ILE A 30 1.370 -5.117 -5.484 1.00 0.00 N ATOM 457 CA ILE A 30 0.119 -4.849 -4.741 1.00 0.00 C ATOM 458 C ILE A 30 -1.072 -4.641 -5.692 1.00 0.00 C ATOM 459 O ILE A 30 -2.177 -5.150 -5.504 1.00 0.00 O ATOM 460 CB ILE A 30 0.332 -3.590 -3.859 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.460 -3.820 -2.823 1.00 0.00 C ATOM 462 CG2 ILE A 30 -0.975 -3.145 -3.160 1.00 0.00 C ATOM 463 CD1 ILE A 30 1.932 -2.513 -2.152 1.00 0.00 C ATOM 0 H ILE A 30 2.146 -4.510 -5.219 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.116 -5.712 -4.118 1.00 0.00 H new ATOM 0 HB ILE A 30 0.637 -2.781 -4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.108 -4.510 -2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.308 -4.297 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.780 -2.261 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.728 -2.910 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.339 -3.950 -2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.723 -2.737 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.313 -1.831 -2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.094 -2.047 -1.633 1.00 0.00 H new ATOM 475 N LYS A 31 -0.805 -3.860 -6.743 1.00 0.00 N ATOM 476 CA LYS A 31 -1.809 -3.557 -7.780 1.00 0.00 C ATOM 477 C LYS A 31 -2.370 -4.838 -8.419 1.00 0.00 C ATOM 478 O LYS A 31 -3.565 -5.003 -8.656 1.00 0.00 O ATOM 479 CB LYS A 31 -1.146 -2.678 -8.866 1.00 0.00 C ATOM 480 CG LYS A 31 -2.156 -1.982 -9.804 1.00 0.00 C ATOM 481 CD LYS A 31 -3.048 -0.942 -9.088 1.00 0.00 C ATOM 482 CE LYS A 31 -2.240 0.206 -8.445 1.00 0.00 C ATOM 483 NZ LYS A 31 -3.153 1.147 -7.781 1.00 0.00 N ATOM 0 H LYS A 31 0.102 -3.422 -6.903 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.643 -3.030 -7.316 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.531 -1.919 -8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.476 -3.297 -9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.612 -1.489 -10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.792 -2.738 -10.265 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.756 -0.524 -9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.633 -1.443 -8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.530 -0.197 -7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.659 0.725 -9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.736 1.458 -6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.307 1.973 -8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.063 0.677 -7.598 1.00 0.00 H new ATOM 497 N ARG A 32 -1.449 -5.765 -8.708 1.00 0.00 N ATOM 498 CA ARG A 32 -1.799 -7.084 -9.268 1.00 0.00 C ATOM 499 C ARG A 32 -2.712 -7.887 -8.329 1.00 0.00 C ATOM 500 O ARG A 32 -3.706 -8.494 -8.730 1.00 0.00 O ATOM 501 CB ARG A 32 -0.500 -7.882 -9.535 1.00 0.00 C ATOM 502 CG ARG A 32 -0.719 -9.267 -10.181 1.00 0.00 C ATOM 503 CD ARG A 32 -1.323 -9.188 -11.596 1.00 0.00 C ATOM 504 NE ARG A 32 -1.432 -10.548 -12.153 1.00 0.00 N ATOM 505 CZ ARG A 32 -1.770 -10.760 -13.426 1.00 0.00 C ATOM 506 NH1 ARG A 32 -2.040 -9.749 -14.248 1.00 0.00 N ATOM 507 NH2 ARG A 32 -1.842 -12.007 -13.880 1.00 0.00 N ATOM 0 H ARG A 32 -0.449 -5.628 -8.564 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.346 -6.921 -10.196 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.147 -7.291 -10.183 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.030 -8.015 -8.592 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.234 -9.793 -10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.378 -9.858 -9.544 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.305 -8.717 -11.559 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.697 -8.568 -12.238 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.244 -11.348 -11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.991 -8.788 -13.908 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.296 -9.935 -15.218 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.640 -12.789 -13.257 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.099 -12.182 -14.851 1.00 0.00 H new ATOM 521 N GLU A 33 -2.349 -7.887 -7.042 1.00 0.00 N ATOM 522 CA GLU A 33 -3.074 -8.678 -6.028 1.00 0.00 C ATOM 523 C GLU A 33 -4.558 -8.298 -5.945 1.00 0.00 C ATOM 524 O GLU A 33 -5.460 -9.117 -6.114 1.00 0.00 O ATOM 525 CB GLU A 33 -2.437 -8.490 -4.634 1.00 0.00 C ATOM 526 CG GLU A 33 -0.925 -8.794 -4.545 1.00 0.00 C ATOM 527 CD GLU A 33 -0.610 -10.233 -4.976 1.00 0.00 C ATOM 528 OE1 GLU A 33 -0.564 -10.494 -6.178 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.413 -11.078 -4.104 1.00 0.00 O ATOM 0 H GLU A 33 -1.562 -7.353 -6.674 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.001 -9.720 -6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.602 -7.461 -4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.961 -9.132 -3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.376 -8.096 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.582 -8.637 -3.523 1.00 0.00 H new ATOM 536 N CYS A 34 -4.800 -7.012 -5.670 1.00 0.00 N ATOM 537 CA CYS A 34 -6.174 -6.487 -5.565 1.00 0.00 C ATOM 538 C CYS A 34 -6.934 -6.582 -6.897 1.00 0.00 C ATOM 539 O CYS A 34 -8.015 -7.160 -7.008 1.00 0.00 O ATOM 540 CB CYS A 34 -6.138 -5.013 -5.097 1.00 0.00 C ATOM 541 SG CYS A 34 -7.796 -4.283 -5.115 1.00 0.00 S ATOM 0 H CYS A 34 -4.070 -6.316 -5.516 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.702 -7.101 -4.836 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.724 -4.958 -4.090 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.477 -4.438 -5.746 1.00 0.00 H new ATOM 546 N GLY A 35 -6.326 -5.991 -7.933 1.00 0.00 N ATOM 547 CA GLY A 35 -6.957 -5.888 -9.263 1.00 0.00 C ATOM 548 C GLY A 35 -7.253 -7.257 -9.882 1.00 0.00 C ATOM 549 O GLY A 35 -8.396 -7.681 -10.046 1.00 0.00 O ATOM 0 H GLY A 35 -5.396 -5.575 -7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.886 -5.324 -9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.302 -5.326 -9.929 1.00 0.00 H new ATOM 553 N LYS A 36 -6.170 -7.954 -10.242 1.00 0.00 N ATOM 554 CA LYS A 36 -6.276 -9.329 -10.760 1.00 0.00 C ATOM 555 C LYS A 36 -6.606 -10.281 -9.603 1.00 0.00 C ATOM 556 O LYS A 36 -5.764 -10.754 -8.840 1.00 0.00 O ATOM 557 CB LYS A 36 -4.965 -9.717 -11.493 1.00 0.00 C ATOM 558 CG LYS A 36 -5.042 -11.041 -12.292 1.00 0.00 C ATOM 559 CD LYS A 36 -5.019 -12.363 -11.482 1.00 0.00 C ATOM 560 CE LYS A 36 -3.649 -12.742 -10.868 1.00 0.00 C ATOM 561 NZ LYS A 36 -3.181 -11.731 -9.908 1.00 0.00 N ATOM 0 H LYS A 36 -5.217 -7.596 -10.186 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.084 -9.401 -11.489 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.693 -8.911 -12.175 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.163 -9.797 -10.759 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.957 -11.025 -12.885 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.208 -11.061 -12.993 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.751 -12.289 -10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.343 -13.174 -12.134 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.729 -13.707 -10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.913 -12.855 -11.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.353 -12.096 -9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.918 -10.863 -10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.941 -11.518 -9.230 1.00 0.00 H new ATOM 575 N LEU A 37 -7.913 -10.519 -9.463 1.00 0.00 N ATOM 576 CA LEU A 37 -8.450 -11.313 -8.344 1.00 0.00 C ATOM 577 C LEU A 37 -9.872 -11.793 -8.697 1.00 0.00 C ATOM 578 O LEU A 37 -10.840 -11.070 -8.455 1.00 0.00 O ATOM 579 CB LEU A 37 -8.412 -10.444 -7.057 1.00 0.00 C ATOM 580 CG LEU A 37 -8.566 -11.218 -5.724 1.00 0.00 C ATOM 581 CD1 LEU A 37 -8.262 -10.295 -4.527 1.00 0.00 C ATOM 582 CD2 LEU A 37 -9.955 -11.870 -5.551 1.00 0.00 C ATOM 583 OXT LEU A 37 -9.993 -12.885 -9.251 1.00 0.00 O ATOM 0 H LEU A 37 -8.623 -10.175 -10.109 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.847 -12.203 -8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.467 -9.901 -7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.206 -9.700 -7.119 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.841 -12.031 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.375 -10.854 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.240 -9.923 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.956 -9.454 -4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.994 -12.395 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.724 -11.098 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.128 -12.577 -6.362 1.00 0.00 H new TER 595 LEU A 37 ATOM 596 N TRP B 1 -11.991 1.074 9.198 1.00 0.00 N ATOM 597 CA TRP B 1 -11.423 -0.147 8.604 1.00 0.00 C ATOM 598 C TRP B 1 -10.690 -0.984 9.668 1.00 0.00 C ATOM 599 O TRP B 1 -10.403 -0.552 10.785 1.00 0.00 O ATOM 600 CB TRP B 1 -10.457 0.284 7.474 1.00 0.00 C ATOM 601 CG TRP B 1 -9.970 -0.929 6.677 1.00 0.00 C ATOM 602 CD1 TRP B 1 -10.765 -1.848 5.973 1.00 0.00 C ATOM 603 CD2 TRP B 1 -8.645 -1.356 6.485 1.00 0.00 C ATOM 604 NE1 TRP B 1 -9.998 -2.796 5.372 1.00 0.00 N ATOM 605 CE2 TRP B 1 -8.695 -2.516 5.672 1.00 0.00 C ATOM 606 CE3 TRP B 1 -7.416 -0.849 6.907 1.00 0.00 C ATOM 607 CZ2 TRP B 1 -7.504 -3.149 5.312 1.00 0.00 C ATOM 608 CZ3 TRP B 1 -6.234 -1.487 6.529 1.00 0.00 C ATOM 609 CH2 TRP B 1 -6.278 -2.636 5.739 1.00 0.00 C ATOM 0 H1 TRP B 1 -13.028 1.044 9.129 1.00 0.00 H new ATOM 0 H2 TRP B 1 -11.712 1.136 10.198 1.00 0.00 H new ATOM 0 H3 TRP B 1 -11.634 1.907 8.687 1.00 0.00 H new ATOM 0 HA TRP B 1 -12.217 -0.774 8.199 1.00 0.00 H new ATOM 0 HB2 TRP B 1 -10.961 0.984 6.807 1.00 0.00 H new ATOM 0 HB3 TRP B 1 -9.603 0.810 7.901 1.00 0.00 H new ATOM 0 HD1 TRP B 1 -11.843 -1.807 5.917 1.00 0.00 H new ATOM 0 HE1 TRP B 1 -10.333 -3.573 4.802 1.00 0.00 H new ATOM 0 HE3 TRP B 1 -7.379 0.036 7.525 1.00 0.00 H new ATOM 0 HZ2 TRP B 1 -7.531 -4.039 4.701 1.00 0.00 H new ATOM 0 HZ3 TRP B 1 -5.282 -1.090 6.849 1.00 0.00 H new ATOM 0 HH2 TRP B 1 -5.360 -3.130 5.457 1.00 0.00 H new ATOM 622 N SER B 2 -10.372 -2.227 9.290 1.00 0.00 N ATOM 623 CA SER B 2 -9.764 -3.187 10.229 1.00 0.00 C ATOM 624 C SER B 2 -8.341 -2.789 10.644 1.00 0.00 C ATOM 625 O SER B 2 -7.490 -2.370 9.858 1.00 0.00 O ATOM 626 CB SER B 2 -9.737 -4.584 9.576 1.00 0.00 C ATOM 627 OG SER B 2 -9.174 -5.536 10.485 1.00 0.00 O ATOM 0 H SER B 2 -10.522 -2.593 8.350 1.00 0.00 H new ATOM 0 HA SER B 2 -10.373 -3.192 11.133 1.00 0.00 H new ATOM 0 HB2 SER B 2 -10.747 -4.885 9.300 1.00 0.00 H new ATOM 0 HB3 SER B 2 -9.151 -4.554 8.658 1.00 0.00 H new ATOM 0 HG SER B 2 -9.675 -6.376 10.430 1.00 0.00 H new ATOM 633 N THR B 3 -8.102 -2.955 11.947 1.00 0.00 N ATOM 634 CA THR B 3 -6.784 -2.695 12.549 1.00 0.00 C ATOM 635 C THR B 3 -5.806 -3.838 12.254 1.00 0.00 C ATOM 636 O THR B 3 -4.680 -3.654 11.799 1.00 0.00 O ATOM 637 CB THR B 3 -6.941 -2.521 14.081 1.00 0.00 C ATOM 638 OG1 THR B 3 -7.837 -1.436 14.340 1.00 0.00 O ATOM 639 CG2 THR B 3 -5.601 -2.241 14.795 1.00 0.00 C ATOM 0 H THR B 3 -8.807 -3.271 12.613 1.00 0.00 H new ATOM 0 HA THR B 3 -6.380 -1.782 12.112 1.00 0.00 H new ATOM 0 HB THR B 3 -7.330 -3.461 14.473 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.942 -1.322 15.308 1.00 0.00 H new ATOM 0 HG21 THR B 3 -5.775 -2.129 15.865 1.00 0.00 H new ATOM 0 HG22 THR B 3 -4.917 -3.072 14.624 1.00 0.00 H new ATOM 0 HG23 THR B 3 -5.163 -1.324 14.400 1.00 0.00 H new ATOM 647 N ILE B 4 -6.270 -5.060 12.537 1.00 0.00 N ATOM 648 CA ILE B 4 -5.452 -6.274 12.355 1.00 0.00 C ATOM 649 C ILE B 4 -4.955 -6.411 10.908 1.00 0.00 C ATOM 650 O ILE B 4 -3.767 -6.571 10.624 1.00 0.00 O ATOM 651 CB ILE B 4 -6.280 -7.521 12.761 1.00 0.00 C ATOM 652 CG1 ILE B 4 -6.808 -7.431 14.217 1.00 0.00 C ATOM 653 CG2 ILE B 4 -5.504 -8.839 12.538 1.00 0.00 C ATOM 654 CD1 ILE B 4 -5.696 -7.275 15.278 1.00 0.00 C ATOM 0 H ILE B 4 -7.209 -5.239 12.894 1.00 0.00 H new ATOM 0 HA ILE B 4 -4.573 -6.193 12.995 1.00 0.00 H new ATOM 0 HB ILE B 4 -7.145 -7.533 12.098 1.00 0.00 H new ATOM 0 HG12 ILE B 4 -7.491 -6.585 14.294 1.00 0.00 H new ATOM 0 HG13 ILE B 4 -7.386 -8.328 14.440 1.00 0.00 H new ATOM 0 HG21 ILE B 4 -6.126 -9.683 12.837 1.00 0.00 H new ATOM 0 HG22 ILE B 4 -5.245 -8.935 11.484 1.00 0.00 H new ATOM 0 HG23 ILE B 4 -4.593 -8.830 13.136 1.00 0.00 H new ATOM 0 HD11 ILE B 4 -6.145 -7.219 16.270 1.00 0.00 H new ATOM 0 HD12 ILE B 4 -5.025 -8.133 15.231 1.00 0.00 H new ATOM 0 HD13 ILE B 4 -5.132 -6.363 15.083 1.00 0.00 H new ATOM 666 N VAL B 5 -5.911 -6.334 9.977 1.00 0.00 N ATOM 667 CA VAL B 5 -5.604 -6.412 8.536 1.00 0.00 C ATOM 668 C VAL B 5 -4.616 -5.318 8.103 1.00 0.00 C ATOM 669 O VAL B 5 -3.714 -5.536 7.294 1.00 0.00 O ATOM 670 CB VAL B 5 -6.905 -6.333 7.700 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.614 -6.355 6.181 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.869 -7.480 8.068 1.00 0.00 C ATOM 0 H VAL B 5 -6.902 -6.218 10.189 1.00 0.00 H new ATOM 0 HA VAL B 5 -5.126 -7.374 8.353 1.00 0.00 H new ATOM 0 HB VAL B 5 -7.380 -5.382 7.940 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.553 -6.298 5.630 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.987 -5.503 5.918 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.097 -7.279 5.923 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.775 -7.401 7.467 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.386 -8.438 7.873 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -8.128 -7.413 9.125 1.00 0.00 H new ATOM 682 N LYS B 6 -4.812 -4.111 8.650 1.00 0.00 N ATOM 683 CA LYS B 6 -3.895 -2.989 8.374 1.00 0.00 C ATOM 684 C LYS B 6 -2.444 -3.376 8.686 1.00 0.00 C ATOM 685 O LYS B 6 -1.562 -3.350 7.831 1.00 0.00 O ATOM 686 CB LYS B 6 -4.295 -1.738 9.192 1.00 0.00 C ATOM 687 CG LYS B 6 -3.415 -0.508 8.871 1.00 0.00 C ATOM 688 CD LYS B 6 -3.850 0.774 9.616 1.00 0.00 C ATOM 689 CE LYS B 6 -5.262 1.268 9.236 1.00 0.00 C ATOM 690 NZ LYS B 6 -5.306 1.599 7.802 1.00 0.00 N ATOM 0 H LYS B 6 -5.584 -3.885 9.277 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.971 -2.753 7.313 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -5.338 -1.496 8.990 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -4.220 -1.965 10.255 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -2.380 -0.735 9.128 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -3.443 -0.322 7.797 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -3.817 0.588 10.689 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -3.130 1.566 9.408 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -6.000 0.499 9.464 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -5.522 2.145 9.829 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -5.908 2.434 7.657 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -4.344 1.803 7.463 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -5.697 0.794 7.272 1.00 0.00 H new ATOM 704 N LEU B 7 -2.221 -3.786 9.938 1.00 0.00 N ATOM 705 CA LEU B 7 -0.887 -4.196 10.419 1.00 0.00 C ATOM 706 C LEU B 7 -0.211 -5.227 9.501 1.00 0.00 C ATOM 707 O LEU B 7 0.979 -5.171 9.198 1.00 0.00 O ATOM 708 CB LEU B 7 -1.013 -4.782 11.844 1.00 0.00 C ATOM 709 CG LEU B 7 -1.506 -3.758 12.895 1.00 0.00 C ATOM 710 CD1 LEU B 7 -1.772 -4.446 14.251 1.00 0.00 C ATOM 711 CD2 LEU B 7 -0.523 -2.581 13.064 1.00 0.00 C ATOM 0 H LEU B 7 -2.952 -3.845 10.647 1.00 0.00 H new ATOM 0 HA LEU B 7 -0.258 -3.306 10.421 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.702 -5.626 11.821 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -0.043 -5.171 12.155 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.445 -3.345 12.525 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -2.117 -3.706 14.973 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -2.535 -5.214 14.126 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.852 -4.904 14.613 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.910 -1.888 13.811 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.446 -2.960 13.388 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.410 -2.062 12.112 1.00 0.00 H new ATOM 723 N THR B 8 -1.019 -6.194 9.053 1.00 0.00 N ATOM 724 CA THR B 8 -0.546 -7.257 8.144 1.00 0.00 C ATOM 725 C THR B 8 0.060 -6.681 6.853 1.00 0.00 C ATOM 726 O THR B 8 1.172 -7.003 6.437 1.00 0.00 O ATOM 727 CB THR B 8 -1.727 -8.200 7.798 1.00 0.00 C ATOM 728 OG1 THR B 8 -2.254 -8.759 9.004 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.327 -9.353 6.852 1.00 0.00 C ATOM 0 H THR B 8 -2.005 -6.267 9.302 1.00 0.00 H new ATOM 0 HA THR B 8 0.240 -7.813 8.655 1.00 0.00 H new ATOM 0 HB THR B 8 -2.472 -7.596 7.280 1.00 0.00 H new ATOM 0 HG1 THR B 8 -2.767 -8.076 9.484 1.00 0.00 H new ATOM 0 HG21 THR B 8 -2.198 -9.976 6.649 1.00 0.00 H new ATOM 0 HG22 THR B 8 -0.949 -8.941 5.916 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.551 -9.957 7.322 1.00 0.00 H new ATOM 737 N ILE B 9 -0.718 -5.804 6.210 1.00 0.00 N ATOM 738 CA ILE B 9 -0.307 -5.201 4.927 1.00 0.00 C ATOM 739 C ILE B 9 0.765 -4.101 5.075 1.00 0.00 C ATOM 740 O ILE B 9 1.513 -3.804 4.145 1.00 0.00 O ATOM 741 CB ILE B 9 -1.552 -4.690 4.147 1.00 0.00 C ATOM 742 CG1 ILE B 9 -1.225 -4.248 2.700 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.307 -3.561 4.882 1.00 0.00 C ATOM 744 CD1 ILE B 9 -0.633 -5.378 1.832 1.00 0.00 C ATOM 0 H ILE B 9 -1.629 -5.495 6.549 1.00 0.00 H new ATOM 0 HA ILE B 9 0.172 -5.991 4.348 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.211 -5.557 4.093 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.134 -3.876 2.228 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -0.520 -3.418 2.732 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.165 -3.249 4.286 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.651 -3.924 5.851 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.639 -2.712 5.029 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -0.428 -4.998 0.831 1.00 0.00 H new ATOM 0 HD12 ILE B 9 0.294 -5.735 2.282 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -1.346 -6.200 1.769 1.00 0.00 H new ATOM 756 N CYS B 10 0.849 -3.497 6.271 1.00 0.00 N ATOM 757 CA CYS B 10 1.744 -2.341 6.511 1.00 0.00 C ATOM 758 C CYS B 10 3.177 -2.516 5.982 1.00 0.00 C ATOM 759 O CYS B 10 3.643 -1.661 5.234 1.00 0.00 O ATOM 760 CB CYS B 10 1.817 -1.947 8.004 1.00 0.00 C ATOM 761 SG CYS B 10 0.218 -1.439 8.671 1.00 0.00 S ATOM 0 H CYS B 10 0.312 -3.785 7.089 1.00 0.00 H new ATOM 0 HA CYS B 10 1.275 -1.542 5.936 1.00 0.00 H new ATOM 0 HB2 CYS B 10 2.194 -2.792 8.580 1.00 0.00 H new ATOM 0 HB3 CYS B 10 2.532 -1.133 8.126 1.00 0.00 H new ATOM 766 N PRO B 11 3.917 -3.583 6.324 1.00 0.00 N ATOM 767 CA PRO B 11 5.303 -3.793 5.858 1.00 0.00 C ATOM 768 C PRO B 11 5.449 -3.760 4.330 1.00 0.00 C ATOM 769 O PRO B 11 6.404 -3.231 3.761 1.00 0.00 O ATOM 770 CB PRO B 11 5.696 -5.165 6.436 1.00 0.00 C ATOM 771 CG PRO B 11 4.361 -5.851 6.684 1.00 0.00 C ATOM 772 CD PRO B 11 3.477 -4.702 7.174 1.00 0.00 C ATOM 0 HA PRO B 11 5.955 -2.987 6.195 1.00 0.00 H new ATOM 0 HB2 PRO B 11 6.313 -5.731 5.738 1.00 0.00 H new ATOM 0 HB3 PRO B 11 6.270 -5.061 7.357 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.966 -6.307 5.776 1.00 0.00 H new ATOM 0 HG3 PRO B 11 4.445 -6.643 7.428 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.417 -4.920 7.043 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.631 -4.493 8.233 1.00 0.00 H new ATOM 780 N THR B 12 4.468 -4.367 3.658 1.00 0.00 N ATOM 781 CA THR B 12 4.399 -4.328 2.183 1.00 0.00 C ATOM 782 C THR B 12 4.308 -2.877 1.683 1.00 0.00 C ATOM 783 O THR B 12 5.008 -2.430 0.775 1.00 0.00 O ATOM 784 CB THR B 12 3.165 -5.134 1.699 1.00 0.00 C ATOM 785 OG1 THR B 12 3.187 -6.440 2.284 1.00 0.00 O ATOM 786 CG2 THR B 12 3.129 -5.292 0.166 1.00 0.00 C ATOM 0 H THR B 12 3.713 -4.889 4.101 1.00 0.00 H new ATOM 0 HA THR B 12 5.307 -4.775 1.777 1.00 0.00 H new ATOM 0 HB THR B 12 2.280 -4.577 2.007 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.620 -7.043 1.759 1.00 0.00 H new ATOM 0 HG21 THR B 12 2.246 -5.863 -0.120 1.00 0.00 H new ATOM 0 HG22 THR B 12 3.091 -4.308 -0.300 1.00 0.00 H new ATOM 0 HG23 THR B 12 4.024 -5.817 -0.167 1.00 0.00 H new ATOM 794 N LEU B 13 3.401 -2.129 2.319 1.00 0.00 N ATOM 795 CA LEU B 13 3.182 -0.701 2.012 1.00 0.00 C ATOM 796 C LEU B 13 4.406 0.178 2.312 1.00 0.00 C ATOM 797 O LEU B 13 4.623 1.223 1.701 1.00 0.00 O ATOM 798 CB LEU B 13 1.966 -0.178 2.805 1.00 0.00 C ATOM 799 CG LEU B 13 0.656 -0.939 2.504 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.476 -0.488 3.449 1.00 0.00 C ATOM 801 CD2 LEU B 13 0.229 -0.793 1.027 1.00 0.00 C ATOM 0 H LEU B 13 2.798 -2.489 3.059 1.00 0.00 H new ATOM 0 HA LEU B 13 2.999 -0.636 0.940 1.00 0.00 H new ATOM 0 HB2 LEU B 13 2.181 -0.249 3.871 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.823 0.879 2.579 1.00 0.00 H new ATOM 0 HG LEU B 13 0.851 -1.996 2.683 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.387 -1.040 3.215 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.188 -0.684 4.482 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.655 0.579 3.319 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.697 -1.344 0.860 1.00 0.00 H new ATOM 0 HD22 LEU B 13 0.071 0.261 0.796 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.011 -1.193 0.381 1.00 0.00 H new ATOM 813 N LYS B 14 5.198 -0.233 3.308 1.00 0.00 N ATOM 814 CA LYS B 14 6.447 0.473 3.657 1.00 0.00 C ATOM 815 C LYS B 14 7.462 0.393 2.510 1.00 0.00 C ATOM 816 O LYS B 14 8.077 1.370 2.087 1.00 0.00 O ATOM 817 CB LYS B 14 7.070 -0.134 4.936 1.00 0.00 C ATOM 818 CG LYS B 14 6.254 0.116 6.223 1.00 0.00 C ATOM 819 CD LYS B 14 6.260 1.593 6.671 1.00 0.00 C ATOM 820 CE LYS B 14 5.473 1.805 7.978 1.00 0.00 C ATOM 821 NZ LYS B 14 5.597 3.206 8.403 1.00 0.00 N ATOM 0 H LYS B 14 5.002 -1.048 3.889 1.00 0.00 H new ATOM 0 HA LYS B 14 6.199 1.519 3.835 1.00 0.00 H new ATOM 0 HB2 LYS B 14 7.184 -1.209 4.795 1.00 0.00 H new ATOM 0 HB3 LYS B 14 8.071 0.278 5.069 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.225 -0.203 6.060 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.656 -0.502 7.026 1.00 0.00 H new ATOM 0 HD2 LYS B 14 7.289 1.925 6.810 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.829 2.212 5.884 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.424 1.551 7.828 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.854 1.143 8.756 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 4.846 3.429 9.087 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 6.525 3.353 8.848 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 5.508 3.829 7.575 1.00 0.00 H new ATOM 835 N SER B 15 7.637 -0.835 2.014 1.00 0.00 N ATOM 836 CA SER B 15 8.513 -1.097 0.855 1.00 0.00 C ATOM 837 C SER B 15 8.077 -0.281 -0.372 1.00 0.00 C ATOM 838 O SER B 15 8.870 0.288 -1.122 1.00 0.00 O ATOM 839 CB SER B 15 8.481 -2.604 0.524 1.00 0.00 C ATOM 840 OG SER B 15 8.901 -3.358 1.662 1.00 0.00 O ATOM 0 H SER B 15 7.186 -1.668 2.393 1.00 0.00 H new ATOM 0 HA SER B 15 9.528 -0.794 1.113 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.474 -2.900 0.232 1.00 0.00 H new ATOM 0 HB3 SER B 15 9.134 -2.814 -0.324 1.00 0.00 H new ATOM 0 HG SER B 15 8.167 -3.411 2.309 1.00 0.00 H new ATOM 846 N MET B 16 6.754 -0.243 -0.567 1.00 0.00 N ATOM 847 CA MET B 16 6.132 0.551 -1.642 1.00 0.00 C ATOM 848 C MET B 16 6.438 2.049 -1.486 1.00 0.00 C ATOM 849 O MET B 16 6.818 2.759 -2.419 1.00 0.00 O ATOM 850 CB MET B 16 4.602 0.312 -1.606 1.00 0.00 C ATOM 851 CG MET B 16 3.863 0.992 -2.774 1.00 0.00 C ATOM 852 SD MET B 16 2.078 0.683 -2.785 1.00 0.00 S ATOM 853 CE MET B 16 1.575 1.591 -1.303 1.00 0.00 C ATOM 0 H MET B 16 6.086 -0.756 0.008 1.00 0.00 H new ATOM 0 HA MET B 16 6.544 0.235 -2.600 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.406 -0.760 -1.633 1.00 0.00 H new ATOM 0 HB3 MET B 16 4.203 0.686 -0.663 1.00 0.00 H new ATOM 0 HG2 MET B 16 4.036 2.067 -2.725 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.289 0.643 -3.714 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.488 1.589 -1.227 1.00 0.00 H new ATOM 0 HE2 MET B 16 2.002 1.113 -0.421 1.00 0.00 H new ATOM 0 HE3 MET B 16 1.932 2.619 -1.367 1.00 0.00 H new ATOM 863 N ALA B 17 6.286 2.511 -0.240 1.00 0.00 N ATOM 864 CA ALA B 17 6.456 3.928 0.134 1.00 0.00 C ATOM 865 C ALA B 17 7.814 4.507 -0.284 1.00 0.00 C ATOM 866 O ALA B 17 7.955 5.679 -0.631 1.00 0.00 O ATOM 867 CB ALA B 17 6.294 4.070 1.661 1.00 0.00 C ATOM 0 H ALA B 17 6.040 1.911 0.547 1.00 0.00 H new ATOM 0 HA ALA B 17 5.692 4.493 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.418 5.115 1.944 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.301 3.730 1.955 1.00 0.00 H new ATOM 0 HB3 ALA B 17 7.048 3.465 2.165 1.00 0.00 H new ATOM 873 N LYS B 18 8.832 3.640 -0.235 1.00 0.00 N ATOM 874 CA LYS B 18 10.220 4.007 -0.590 1.00 0.00 C ATOM 875 C LYS B 18 10.322 4.829 -1.884 1.00 0.00 C ATOM 876 O LYS B 18 11.101 5.775 -2.005 1.00 0.00 O ATOM 877 CB LYS B 18 11.079 2.733 -0.734 1.00 0.00 C ATOM 878 CG LYS B 18 11.149 1.910 0.573 1.00 0.00 C ATOM 879 CD LYS B 18 11.958 0.595 0.471 1.00 0.00 C ATOM 880 CE LYS B 18 13.492 0.768 0.399 1.00 0.00 C ATOM 881 NZ LYS B 18 13.898 1.426 -0.852 1.00 0.00 N ATOM 0 H LYS B 18 8.724 2.667 0.050 1.00 0.00 H new ATOM 0 HA LYS B 18 10.588 4.635 0.221 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.668 2.111 -1.529 1.00 0.00 H new ATOM 0 HB3 LYS B 18 12.088 3.012 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS B 18 11.589 2.531 1.353 1.00 0.00 H new ATOM 0 HG3 LYS B 18 10.134 1.672 0.890 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.719 -0.027 1.333 1.00 0.00 H new ATOM 0 HD3 LYS B 18 11.628 0.052 -0.415 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.834 1.357 1.250 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.974 -0.207 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 14.773 0.989 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.145 1.318 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.064 2.437 -0.674 1.00 0.00 H new ATOM 895 N LYS B 19 9.508 4.443 -2.874 1.00 0.00 N ATOM 896 CA LYS B 19 9.472 5.161 -4.161 1.00 0.00 C ATOM 897 C LYS B 19 8.027 5.342 -4.659 1.00 0.00 C ATOM 898 O LYS B 19 7.601 4.872 -5.717 1.00 0.00 O ATOM 899 CB LYS B 19 10.321 4.381 -5.193 1.00 0.00 C ATOM 900 CG LYS B 19 10.558 5.169 -6.503 1.00 0.00 C ATOM 901 CD LYS B 19 11.320 4.358 -7.571 1.00 0.00 C ATOM 902 CE LYS B 19 10.529 3.128 -8.060 1.00 0.00 C ATOM 903 NZ LYS B 19 11.301 2.421 -9.092 1.00 0.00 N ATOM 0 H LYS B 19 8.872 3.648 -2.814 1.00 0.00 H new ATOM 0 HA LYS B 19 9.890 6.159 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS B 19 11.284 4.130 -4.747 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.823 3.440 -5.427 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.596 5.481 -6.911 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.118 6.076 -6.277 1.00 0.00 H new ATOM 0 HD2 LYS B 19 11.543 5.003 -8.421 1.00 0.00 H new ATOM 0 HD3 LYS B 19 12.275 4.031 -7.160 1.00 0.00 H new ATOM 0 HE2 LYS B 19 10.324 2.460 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS B 19 9.565 3.440 -8.463 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 10.658 2.085 -9.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 12.002 3.068 -9.506 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.790 1.609 -8.664 1.00 0.00 H new ATOM 917 N CYS B 20 7.241 6.038 -3.832 1.00 0.00 N ATOM 918 CA CYS B 20 5.899 6.486 -4.252 1.00 0.00 C ATOM 919 C CYS B 20 5.899 7.936 -4.753 1.00 0.00 C ATOM 920 O CYS B 20 6.845 8.712 -4.611 1.00 0.00 O ATOM 921 CB CYS B 20 4.878 6.341 -3.107 1.00 0.00 C ATOM 922 SG CYS B 20 4.515 4.618 -2.694 1.00 0.00 S ATOM 0 H CYS B 20 7.500 6.303 -2.882 1.00 0.00 H new ATOM 0 HA CYS B 20 5.608 5.840 -5.080 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.260 6.848 -2.221 1.00 0.00 H new ATOM 0 HB3 CYS B 20 3.953 6.844 -3.388 1.00 0.00 H new ATOM 927 N GLU B 21 4.765 8.293 -5.360 1.00 0.00 N ATOM 928 CA GLU B 21 4.577 9.634 -5.941 1.00 0.00 C ATOM 929 C GLU B 21 3.988 10.611 -4.913 1.00 0.00 C ATOM 930 O GLU B 21 3.356 10.244 -3.922 1.00 0.00 O ATOM 931 CB GLU B 21 3.611 9.530 -7.147 1.00 0.00 C ATOM 932 CG GLU B 21 3.902 8.369 -8.134 1.00 0.00 C ATOM 933 CD GLU B 21 5.341 8.413 -8.671 1.00 0.00 C ATOM 934 OE1 GLU B 21 6.258 8.009 -7.952 1.00 0.00 O ATOM 935 OE2 GLU B 21 5.532 8.852 -9.804 1.00 0.00 O ATOM 0 H GLU B 21 3.960 7.675 -5.464 1.00 0.00 H new ATOM 0 HA GLU B 21 5.550 10.011 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.595 9.417 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.643 10.470 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.732 7.416 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.203 8.419 -8.968 1.00 0.00 H new ATOM 942 N GLY B 22 4.195 11.900 -5.201 1.00 0.00 N ATOM 943 CA GLY B 22 3.683 13.009 -4.366 1.00 0.00 C ATOM 944 C GLY B 22 4.228 12.984 -2.933 1.00 0.00 C ATOM 945 O GLY B 22 5.291 13.513 -2.606 1.00 0.00 O ATOM 0 H GLY B 22 4.721 12.211 -6.018 1.00 0.00 H new ATOM 0 HA2 GLY B 22 3.947 13.958 -4.832 1.00 0.00 H new ATOM 0 HA3 GLY B 22 2.595 12.960 -4.335 1.00 0.00 H new ATOM 949 N SER B 23 3.455 12.330 -2.062 1.00 0.00 N ATOM 950 CA SER B 23 3.829 12.140 -0.647 1.00 0.00 C ATOM 951 C SER B 23 2.951 11.055 0.005 1.00 0.00 C ATOM 952 O SER B 23 2.468 11.137 1.135 1.00 0.00 O ATOM 953 CB SER B 23 3.701 13.479 0.120 1.00 0.00 C ATOM 954 OG SER B 23 2.358 13.971 0.040 1.00 0.00 O ATOM 0 H SER B 23 2.556 11.917 -2.310 1.00 0.00 H new ATOM 0 HA SER B 23 4.866 11.809 -0.601 1.00 0.00 H new ATOM 0 HB2 SER B 23 3.982 13.337 1.164 1.00 0.00 H new ATOM 0 HB3 SER B 23 4.390 14.213 -0.298 1.00 0.00 H new ATOM 0 HG SER B 23 2.290 14.817 0.530 1.00 0.00 H new ATOM 960 N ILE B 24 2.771 9.982 -0.771 1.00 0.00 N ATOM 961 CA ILE B 24 2.015 8.799 -0.322 1.00 0.00 C ATOM 962 C ILE B 24 2.707 8.078 0.838 1.00 0.00 C ATOM 963 O ILE B 24 2.081 7.599 1.782 1.00 0.00 O ATOM 964 CB ILE B 24 1.799 7.853 -1.531 1.00 0.00 C ATOM 965 CG1 ILE B 24 0.746 8.404 -2.526 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.522 6.383 -1.150 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.623 8.758 -1.904 1.00 0.00 C ATOM 0 H ILE B 24 3.139 9.904 -1.719 1.00 0.00 H new ATOM 0 HA ILE B 24 1.048 9.125 0.061 1.00 0.00 H new ATOM 0 HB ILE B 24 2.760 7.835 -2.045 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.152 9.296 -3.003 1.00 0.00 H new ATOM 0 HG13 ILE B 24 0.590 7.665 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE B 24 1.383 5.792 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE B 24 2.366 5.988 -0.585 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.620 6.329 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -1.289 9.134 -2.680 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -1.059 7.867 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.488 9.523 -1.139 1.00 0.00 H new ATOM 979 N ALA B 25 4.037 7.993 0.736 1.00 0.00 N ATOM 980 CA ALA B 25 4.875 7.376 1.783 1.00 0.00 C ATOM 981 C ALA B 25 4.514 7.863 3.193 1.00 0.00 C ATOM 982 O ALA B 25 4.403 7.106 4.159 1.00 0.00 O ATOM 983 CB ALA B 25 6.351 7.722 1.494 1.00 0.00 C ATOM 0 H ALA B 25 4.564 8.344 -0.064 1.00 0.00 H new ATOM 0 HA ALA B 25 4.703 6.300 1.758 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.986 7.274 2.258 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.631 7.332 0.515 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.480 8.804 1.504 1.00 0.00 H new ATOM 989 N THR B 26 4.325 9.183 3.289 1.00 0.00 N ATOM 990 CA THR B 26 3.929 9.836 4.551 1.00 0.00 C ATOM 991 C THR B 26 2.601 9.276 5.086 1.00 0.00 C ATOM 992 O THR B 26 2.471 8.866 6.238 1.00 0.00 O ATOM 993 CB THR B 26 3.799 11.361 4.314 1.00 0.00 C ATOM 994 OG1 THR B 26 5.033 11.870 3.803 1.00 0.00 O ATOM 995 CG2 THR B 26 3.438 12.135 5.600 1.00 0.00 C ATOM 0 H THR B 26 4.439 9.827 2.506 1.00 0.00 H new ATOM 0 HA THR B 26 4.697 9.635 5.298 1.00 0.00 H new ATOM 0 HB THR B 26 2.988 11.505 3.600 1.00 0.00 H new ATOM 0 HG1 THR B 26 4.951 12.835 3.651 1.00 0.00 H new ATOM 0 HG21 THR B 26 3.360 13.199 5.375 1.00 0.00 H new ATOM 0 HG22 THR B 26 2.484 11.775 5.986 1.00 0.00 H new ATOM 0 HG23 THR B 26 4.215 11.979 6.349 1.00 0.00 H new ATOM 1003 N MET B 27 1.598 9.262 4.204 1.00 0.00 N ATOM 1004 CA MET B 27 0.239 8.809 4.565 1.00 0.00 C ATOM 1005 C MET B 27 0.196 7.357 5.060 1.00 0.00 C ATOM 1006 O MET B 27 -0.428 7.018 6.065 1.00 0.00 O ATOM 1007 CB MET B 27 -0.704 8.976 3.353 1.00 0.00 C ATOM 1008 CG MET B 27 -0.822 10.443 2.884 1.00 0.00 C ATOM 1009 SD MET B 27 -1.302 11.577 4.215 1.00 0.00 S ATOM 1010 CE MET B 27 -2.883 10.857 4.731 1.00 0.00 C ATOM 0 H MET B 27 1.695 9.558 3.233 1.00 0.00 H new ATOM 0 HA MET B 27 -0.092 9.433 5.395 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.340 8.364 2.528 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.694 8.602 3.614 1.00 0.00 H new ATOM 0 HG2 MET B 27 0.133 10.763 2.468 1.00 0.00 H new ATOM 0 HG3 MET B 27 -1.556 10.504 2.080 1.00 0.00 H new ATOM 0 HE1 MET B 27 -3.354 11.505 5.471 1.00 0.00 H new ATOM 0 HE2 MET B 27 -3.538 10.759 3.865 1.00 0.00 H new ATOM 0 HE3 MET B 27 -2.710 9.873 5.168 1.00 0.00 H new ATOM 1020 N ILE B 28 0.874 6.480 4.314 1.00 0.00 N ATOM 1021 CA ILE B 28 1.008 5.056 4.682 1.00 0.00 C ATOM 1022 C ILE B 28 1.534 4.899 6.117 1.00 0.00 C ATOM 1023 O ILE B 28 0.973 4.210 6.969 1.00 0.00 O ATOM 1024 CB ILE B 28 1.983 4.370 3.686 1.00 0.00 C ATOM 1025 CG1 ILE B 28 1.412 4.375 2.248 1.00 0.00 C ATOM 1026 CG2 ILE B 28 2.358 2.937 4.135 1.00 0.00 C ATOM 1027 CD1 ILE B 28 2.427 3.905 1.186 1.00 0.00 C ATOM 0 H ILE B 28 1.344 6.728 3.444 1.00 0.00 H new ATOM 0 HA ILE B 28 0.026 4.586 4.633 1.00 0.00 H new ATOM 0 HB ILE B 28 2.902 4.956 3.684 1.00 0.00 H new ATOM 0 HG12 ILE B 28 0.534 3.731 2.211 1.00 0.00 H new ATOM 0 HG13 ILE B 28 1.078 5.383 2.001 1.00 0.00 H new ATOM 0 HG21 ILE B 28 3.041 2.495 3.409 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.841 2.976 5.111 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.456 2.329 4.201 1.00 0.00 H new ATOM 0 HD11 ILE B 28 1.962 3.933 0.201 1.00 0.00 H new ATOM 0 HD12 ILE B 28 3.295 4.564 1.196 1.00 0.00 H new ATOM 0 HD13 ILE B 28 2.742 2.886 1.410 1.00 0.00 H new ATOM 1039 N LYS B 29 2.657 5.580 6.364 1.00 0.00 N ATOM 1040 CA LYS B 29 3.314 5.573 7.683 1.00 0.00 C ATOM 1041 C LYS B 29 2.355 6.012 8.791 1.00 0.00 C ATOM 1042 O LYS B 29 2.229 5.382 9.838 1.00 0.00 O ATOM 1043 CB LYS B 29 4.566 6.485 7.622 1.00 0.00 C ATOM 1044 CG LYS B 29 5.401 6.586 8.926 1.00 0.00 C ATOM 1045 CD LYS B 29 4.781 7.440 10.059 1.00 0.00 C ATOM 1046 CE LYS B 29 4.505 8.900 9.646 1.00 0.00 C ATOM 1047 NZ LYS B 29 3.839 9.604 10.751 1.00 0.00 N ATOM 0 H LYS B 29 3.136 6.148 5.665 1.00 0.00 H new ATOM 0 HA LYS B 29 3.620 4.556 7.926 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.216 6.123 6.826 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.246 7.488 7.341 1.00 0.00 H new ATOM 0 HG2 LYS B 29 5.569 5.578 9.307 1.00 0.00 H new ATOM 0 HG3 LYS B 29 6.378 7.000 8.678 1.00 0.00 H new ATOM 0 HD2 LYS B 29 3.847 6.979 10.382 1.00 0.00 H new ATOM 0 HD3 LYS B 29 5.453 7.434 10.917 1.00 0.00 H new ATOM 0 HE2 LYS B 29 5.440 9.400 9.393 1.00 0.00 H new ATOM 0 HE3 LYS B 29 3.878 8.925 8.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 3.996 10.628 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 2.818 9.406 10.723 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 4.231 9.277 11.657 1.00 0.00 H new ATOM 1061 N LYS B 30 1.654 7.120 8.535 1.00 0.00 N ATOM 1062 CA LYS B 30 0.722 7.701 9.516 1.00 0.00 C ATOM 1063 C LYS B 30 -0.387 6.727 9.937 1.00 0.00 C ATOM 1064 O LYS B 30 -0.533 6.354 11.099 1.00 0.00 O ATOM 1065 CB LYS B 30 0.096 8.985 8.927 1.00 0.00 C ATOM 1066 CG LYS B 30 1.103 10.151 8.835 1.00 0.00 C ATOM 1067 CD LYS B 30 0.620 11.351 7.987 1.00 0.00 C ATOM 1068 CE LYS B 30 -0.681 12.020 8.484 1.00 0.00 C ATOM 1069 NZ LYS B 30 -1.844 11.163 8.205 1.00 0.00 N ATOM 0 H LYS B 30 1.712 7.636 7.657 1.00 0.00 H new ATOM 0 HA LYS B 30 1.296 7.931 10.413 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -0.296 8.770 7.933 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.749 9.288 9.545 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.327 10.501 9.843 1.00 0.00 H new ATOM 0 HG3 LYS B 30 2.036 9.776 8.413 1.00 0.00 H new ATOM 0 HD2 LYS B 30 1.410 12.101 7.963 1.00 0.00 H new ATOM 0 HD3 LYS B 30 0.469 11.014 6.961 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -0.612 12.211 9.555 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -0.809 12.986 7.996 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -2.608 11.737 7.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -1.572 10.417 7.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -2.175 10.728 9.090 1.00 0.00 H new ATOM 1083 N LYS B 31 -1.162 6.278 8.946 1.00 0.00 N ATOM 1084 CA LYS B 31 -2.346 5.431 9.191 1.00 0.00 C ATOM 1085 C LYS B 31 -2.039 4.225 10.091 1.00 0.00 C ATOM 1086 O LYS B 31 -2.705 3.946 11.089 1.00 0.00 O ATOM 1087 CB LYS B 31 -2.936 4.939 7.848 1.00 0.00 C ATOM 1088 CG LYS B 31 -4.077 5.807 7.259 1.00 0.00 C ATOM 1089 CD LYS B 31 -3.707 7.204 6.697 1.00 0.00 C ATOM 1090 CE LYS B 31 -3.273 8.269 7.728 1.00 0.00 C ATOM 1091 NZ LYS B 31 -4.251 8.358 8.821 1.00 0.00 N ATOM 0 H LYS B 31 -0.995 6.485 7.961 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.073 6.051 9.716 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -2.130 4.885 7.116 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.310 3.924 7.986 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -4.551 5.239 6.458 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -4.827 5.947 8.037 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -2.900 7.079 5.976 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -4.567 7.590 6.149 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -2.292 8.016 8.130 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -3.176 9.238 7.239 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -4.349 9.350 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -5.172 8.002 8.493 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -3.925 7.785 9.626 1.00 0.00 H new ATOM 1105 N CYS B 32 -0.987 3.501 9.708 1.00 0.00 N ATOM 1106 CA CYS B 32 -0.573 2.290 10.440 1.00 0.00 C ATOM 1107 C CYS B 32 0.173 2.593 11.750 1.00 0.00 C ATOM 1108 O CYS B 32 0.036 1.908 12.764 1.00 0.00 O ATOM 1109 CB CYS B 32 0.291 1.415 9.511 1.00 0.00 C ATOM 1110 SG CYS B 32 0.613 -0.216 10.227 1.00 0.00 S ATOM 0 H CYS B 32 -0.405 3.725 8.901 1.00 0.00 H new ATOM 0 HA CYS B 32 -1.478 1.757 10.733 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -0.212 1.297 8.551 1.00 0.00 H new ATOM 0 HB3 CYS B 32 1.238 1.919 9.315 1.00 0.00 H new ATOM 1115 N ASP B 33 0.977 3.662 11.720 1.00 0.00 N ATOM 1116 CA ASP B 33 1.912 3.966 12.822 1.00 0.00 C ATOM 1117 C ASP B 33 2.439 5.414 12.774 1.00 0.00 C ATOM 1118 O ASP B 33 3.616 5.709 12.557 1.00 0.00 O ATOM 1119 CB ASP B 33 3.093 2.948 12.804 1.00 0.00 C ATOM 1120 CG ASP B 33 3.877 2.979 11.474 1.00 0.00 C ATOM 1121 OD1 ASP B 33 3.326 2.595 10.444 1.00 0.00 O ATOM 1122 OD2 ASP B 33 5.039 3.385 11.484 1.00 0.00 O ATOM 0 H ASP B 33 1.003 4.331 10.951 1.00 0.00 H new ATOM 0 HA ASP B 33 1.360 3.871 13.757 1.00 0.00 H new ATOM 0 HB2 ASP B 33 3.772 3.169 13.628 1.00 0.00 H new ATOM 0 HB3 ASP B 33 2.705 1.943 12.971 1.00 0.00 H new ATOM 1127 N LYS B 34 1.517 6.358 12.995 1.00 0.00 N ATOM 1128 CA LYS B 34 1.873 7.793 12.977 1.00 0.00 C ATOM 1129 C LYS B 34 2.831 8.211 14.113 1.00 0.00 C ATOM 1130 O LYS B 34 2.954 7.488 15.103 1.00 0.00 O ATOM 1131 CB LYS B 34 0.608 8.691 13.016 1.00 0.00 C ATOM 1132 CG LYS B 34 -0.316 8.468 14.239 1.00 0.00 C ATOM 1133 CD LYS B 34 -1.443 7.425 14.032 1.00 0.00 C ATOM 1134 CE LYS B 34 -2.685 7.975 13.288 1.00 0.00 C ATOM 1135 NZ LYS B 34 -2.343 8.454 11.940 1.00 0.00 N ATOM 1136 OXT LYS B 34 3.441 9.274 13.997 1.00 0.00 O ATOM 0 H LYS B 34 0.534 6.166 13.186 1.00 0.00 H new ATOM 0 HA LYS B 34 2.403 7.940 12.036 1.00 0.00 H new ATOM 0 HB2 LYS B 34 0.921 9.735 13.002 1.00 0.00 H new ATOM 0 HB3 LYS B 34 0.031 8.519 12.107 1.00 0.00 H new ATOM 0 HG2 LYS B 34 0.296 8.155 15.085 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -0.770 9.421 14.510 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -1.043 6.580 13.473 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -1.754 7.045 15.005 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -3.442 7.194 13.216 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -3.123 8.790 13.864 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -3.216 8.640 11.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -1.789 9.331 12.013 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -1.782 7.730 11.446 1.00 0.00 H new TER 1150 LYS B 34