USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 627 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 Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -1.43 K(o=-1.4,f=-2.6) USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -0.0247 (180deg=-0.764) USER MOD Single : A 12 SER OG : rot 180:sc= -0.393 USER MOD Single : A 18 CYS SG : rot 180:sc= -2.07 USER MOD Single : A 19 SER OG : rot -95:sc= 0.0508 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= -0.144 (180deg=-0.865) USER MOD Single : A 29 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.0007) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= -0.154 (180deg=-0.752) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0189) USER MOD Single : A 44 MET CE :methyl -162:sc= -0.62 (180deg=-1.16) USER MOD Single : A 46 ASN : amide:sc= -0.477 K(o=-0.48,f=-2.1) USER MOD Single : A 47 ASN : amide:sc= -1.03 K(o=-1,f=-2.5!) USER MOD Single : A 48 THR OG1 : rot -171:sc= -0.441 USER MOD Single : A 53 LYS NZ :NH3+ -116:sc= 1.17 (180deg=-0.503) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.98!) USER MOD Single : A 56 TYR OH : rot 165:sc= -0.57 USER MOD Single : A 58 LYS NZ :NH3+ 151:sc= -0.215 (180deg=-1.12) USER MOD Single : A 59 LYS NZ :NH3+ -111:sc= -0.291 (180deg=-0.552) USER MOD Single : A 62 LYS NZ :NH3+ -156:sc= -0.117 (180deg=-0.641) USER MOD Single : A 64 LYS NZ :NH3+ 143:sc= -0.749 (180deg=-2.31!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 56:sc= 0.286 USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= -0.0597 (180deg=-0.122) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 11.265 29.302 17.710 1.00 0.00 N ATOM 2 CA PHE A 1 11.872 28.015 18.120 1.00 0.00 C ATOM 3 C PHE A 1 13.073 27.696 17.230 1.00 0.00 C ATOM 4 O PHE A 1 14.167 28.167 17.467 1.00 0.00 O ATOM 5 CB PHE A 1 10.832 26.879 17.985 1.00 0.00 C ATOM 6 CG PHE A 1 11.523 25.523 18.194 1.00 0.00 C ATOM 7 CD1 PHE A 1 12.062 25.191 19.424 1.00 0.00 C ATOM 8 CD2 PHE A 1 11.627 24.620 17.150 1.00 0.00 C ATOM 9 CE1 PHE A 1 12.694 23.978 19.605 1.00 0.00 C ATOM 10 CE2 PHE A 1 12.259 23.408 17.334 1.00 0.00 C ATOM 11 CZ PHE A 1 12.792 23.088 18.560 1.00 0.00 C ATOM 0 H1 PHE A 1 10.449 29.511 18.320 1.00 0.00 H new ATOM 0 H2 PHE A 1 11.969 30.062 17.800 1.00 0.00 H new ATOM 0 H3 PHE A 1 10.950 29.238 16.721 1.00 0.00 H new ATOM 0 HA PHE A 1 12.197 28.097 19.157 1.00 0.00 H new ATOM 0 HB2 PHE A 1 10.037 27.011 18.719 1.00 0.00 H new ATOM 0 HB3 PHE A 1 10.366 26.914 17.000 1.00 0.00 H new ATOM 0 HD1 PHE A 1 11.988 25.886 20.248 1.00 0.00 H new ATOM 0 HD2 PHE A 1 11.210 24.866 16.185 1.00 0.00 H new ATOM 0 HE1 PHE A 1 13.112 23.727 20.568 1.00 0.00 H new ATOM 0 HE2 PHE A 1 12.335 22.709 16.514 1.00 0.00 H new ATOM 0 HZ PHE A 1 13.287 22.139 18.703 1.00 0.00 H new ATOM 23 N LYS A 2 12.842 26.898 16.221 1.00 0.00 N ATOM 24 CA LYS A 2 13.952 26.535 15.306 1.00 0.00 C ATOM 25 C LYS A 2 13.413 25.867 14.045 1.00 0.00 C ATOM 26 O LYS A 2 13.676 24.707 13.798 1.00 0.00 O ATOM 27 CB LYS A 2 14.873 25.535 16.040 1.00 0.00 C ATOM 28 CG LYS A 2 16.210 25.384 15.268 1.00 0.00 C ATOM 29 CD LYS A 2 17.214 26.450 15.740 1.00 0.00 C ATOM 30 CE LYS A 2 18.562 26.199 15.057 1.00 0.00 C ATOM 31 NZ LYS A 2 19.520 27.298 15.369 1.00 0.00 N ATOM 0 H LYS A 2 11.936 26.486 15.996 1.00 0.00 H new ATOM 0 HA LYS A 2 14.494 27.437 15.022 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.066 25.883 17.055 1.00 0.00 H new ATOM 0 HB3 LYS A 2 14.380 24.567 16.123 1.00 0.00 H new ATOM 0 HG2 LYS A 2 16.622 24.388 15.429 1.00 0.00 H new ATOM 0 HG3 LYS A 2 16.035 25.487 14.197 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.848 27.447 15.496 1.00 0.00 H new ATOM 0 HD3 LYS A 2 17.327 26.408 16.823 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.973 25.246 15.390 1.00 0.00 H new ATOM 0 HE3 LYS A 2 18.422 26.127 13.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 20.428 27.111 14.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.134 28.202 15.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.668 27.348 16.397 1.00 0.00 H new ATOM 45 N ASP A 3 12.662 26.618 13.261 1.00 0.00 N ATOM 46 CA ASP A 3 12.089 26.056 12.010 1.00 0.00 C ATOM 47 C ASP A 3 12.246 27.053 10.834 1.00 0.00 C ATOM 48 O ASP A 3 11.284 27.652 10.395 1.00 0.00 O ATOM 49 CB ASP A 3 10.588 25.831 12.278 1.00 0.00 C ATOM 50 CG ASP A 3 10.377 24.455 12.920 1.00 0.00 C ATOM 51 OD1 ASP A 3 11.368 23.919 13.388 1.00 0.00 O ATOM 52 OD2 ASP A 3 9.237 24.019 12.904 1.00 0.00 O ATOM 0 H ASP A 3 12.428 27.594 13.443 1.00 0.00 H new ATOM 0 HA ASP A 3 12.602 25.133 11.739 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.205 26.612 12.935 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.028 25.897 11.345 1.00 0.00 H new ATOM 57 N PRO A 4 13.473 27.211 10.353 1.00 0.00 N ATOM 58 CA PRO A 4 13.750 28.126 9.242 1.00 0.00 C ATOM 59 C PRO A 4 13.315 27.535 7.883 1.00 0.00 C ATOM 60 O PRO A 4 12.430 28.053 7.230 1.00 0.00 O ATOM 61 CB PRO A 4 15.302 28.305 9.269 1.00 0.00 C ATOM 62 CG PRO A 4 15.871 27.187 10.207 1.00 0.00 C ATOM 63 CD PRO A 4 14.656 26.527 10.910 1.00 0.00 C ATOM 0 HA PRO A 4 13.202 29.062 9.352 1.00 0.00 H new ATOM 0 HB2 PRO A 4 15.719 28.217 8.266 1.00 0.00 H new ATOM 0 HB3 PRO A 4 15.571 29.294 9.640 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.432 26.450 9.633 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.558 27.610 10.940 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.621 25.455 10.714 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.711 26.651 11.992 1.00 0.00 H new ATOM 71 N ASN A 5 13.956 26.459 7.497 1.00 0.00 N ATOM 72 CA ASN A 5 13.618 25.806 6.192 1.00 0.00 C ATOM 73 C ASN A 5 12.469 24.803 6.322 1.00 0.00 C ATOM 74 O ASN A 5 12.250 24.014 5.424 1.00 0.00 O ATOM 75 CB ASN A 5 14.872 25.046 5.727 1.00 0.00 C ATOM 76 CG ASN A 5 14.668 24.530 4.304 1.00 0.00 C ATOM 77 OD1 ASN A 5 13.823 25.007 3.572 1.00 0.00 O ATOM 78 ND2 ASN A 5 15.424 23.557 3.870 1.00 0.00 N ATOM 0 H ASN A 5 14.698 26.004 8.028 1.00 0.00 H new ATOM 0 HA ASN A 5 13.305 26.576 5.487 1.00 0.00 H new ATOM 0 HB2 ASN A 5 15.741 25.703 5.764 1.00 0.00 H new ATOM 0 HB3 ASN A 5 15.074 24.213 6.400 1.00 0.00 H new ATOM 0 HD21 ASN A 5 15.303 23.202 2.922 1.00 0.00 H new ATOM 0 HD22 ASN A 5 16.135 23.153 4.480 1.00 0.00 H new ATOM 85 N ALA A 6 11.750 24.876 7.432 1.00 0.00 N ATOM 86 CA ALA A 6 10.579 23.931 7.686 1.00 0.00 C ATOM 87 C ALA A 6 10.067 23.218 6.405 1.00 0.00 C ATOM 88 O ALA A 6 9.131 23.671 5.770 1.00 0.00 O ATOM 89 CB ALA A 6 9.431 24.770 8.248 1.00 0.00 C ATOM 0 H ALA A 6 11.920 25.550 8.179 1.00 0.00 H new ATOM 0 HA ALA A 6 10.922 23.154 8.369 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.572 24.127 8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.748 25.244 9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.153 25.537 7.525 1.00 0.00 H new ATOM 95 N PRO A 7 10.714 22.094 6.057 1.00 0.00 N ATOM 96 CA PRO A 7 10.363 21.307 4.888 1.00 0.00 C ATOM 97 C PRO A 7 9.410 20.171 5.291 1.00 0.00 C ATOM 98 O PRO A 7 8.635 20.311 6.219 1.00 0.00 O ATOM 99 CB PRO A 7 11.742 20.738 4.471 1.00 0.00 C ATOM 100 CG PRO A 7 12.518 20.561 5.789 1.00 0.00 C ATOM 101 CD PRO A 7 11.884 21.569 6.774 1.00 0.00 C ATOM 0 HA PRO A 7 9.857 21.865 4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.634 19.789 3.946 1.00 0.00 H new ATOM 0 HB3 PRO A 7 12.261 21.418 3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.433 19.540 6.162 1.00 0.00 H new ATOM 0 HG3 PRO A 7 13.580 20.762 5.650 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.594 21.085 7.706 1.00 0.00 H new ATOM 0 HD3 PRO A 7 12.582 22.365 7.032 1.00 0.00 H new ATOM 109 N LYS A 8 9.489 19.074 4.593 1.00 0.00 N ATOM 110 CA LYS A 8 8.607 17.912 4.909 1.00 0.00 C ATOM 111 C LYS A 8 9.402 16.617 4.837 1.00 0.00 C ATOM 112 O LYS A 8 10.090 16.364 3.868 1.00 0.00 O ATOM 113 CB LYS A 8 7.512 17.853 3.863 1.00 0.00 C ATOM 114 CG LYS A 8 6.599 19.078 4.014 1.00 0.00 C ATOM 115 CD LYS A 8 5.438 18.977 3.007 1.00 0.00 C ATOM 116 CE LYS A 8 4.818 20.367 2.798 1.00 0.00 C ATOM 117 NZ LYS A 8 4.831 21.148 4.066 1.00 0.00 N ATOM 0 H LYS A 8 10.129 18.929 3.812 1.00 0.00 H new ATOM 0 HA LYS A 8 8.194 18.030 5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.948 17.831 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.933 16.937 3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.210 19.132 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.167 19.992 3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.799 18.582 2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.683 18.282 3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.372 20.905 2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.794 20.263 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.119 21.905 4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.610 20.518 4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.773 21.567 4.206 1.00 0.00 H new ATOM 131 N ARG A 9 9.290 15.814 5.850 1.00 0.00 N ATOM 132 CA ARG A 9 10.036 14.538 5.855 1.00 0.00 C ATOM 133 C ARG A 9 9.306 13.481 4.989 1.00 0.00 C ATOM 134 O ARG A 9 8.100 13.537 4.850 1.00 0.00 O ATOM 135 CB ARG A 9 10.083 14.042 7.311 1.00 0.00 C ATOM 136 CG ARG A 9 10.821 15.065 8.189 1.00 0.00 C ATOM 137 CD ARG A 9 11.344 14.378 9.458 1.00 0.00 C ATOM 138 NE ARG A 9 10.195 13.830 10.231 1.00 0.00 N ATOM 139 CZ ARG A 9 10.422 13.180 11.342 1.00 0.00 C ATOM 140 NH1 ARG A 9 11.597 12.641 11.528 1.00 0.00 N ATOM 141 NH2 ARG A 9 9.471 13.098 12.230 1.00 0.00 N ATOM 0 H ARG A 9 8.714 15.987 6.674 1.00 0.00 H new ATOM 0 HA ARG A 9 11.036 14.688 5.449 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.071 13.891 7.686 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.588 13.077 7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.650 15.504 7.634 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.149 15.881 8.456 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.034 13.577 9.193 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.901 15.090 10.068 1.00 0.00 H new ATOM 0 HE ARG A 9 9.240 13.961 9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.319 12.731 10.813 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.793 12.130 12.389 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.568 13.537 12.052 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.630 12.595 13.103 1.00 0.00 H new ATOM 155 N PRO A 10 10.050 12.522 4.411 1.00 0.00 N ATOM 156 CA PRO A 10 9.419 11.495 3.582 1.00 0.00 C ATOM 157 C PRO A 10 8.274 10.790 4.357 1.00 0.00 C ATOM 158 O PRO A 10 8.229 10.842 5.571 1.00 0.00 O ATOM 159 CB PRO A 10 10.567 10.485 3.247 1.00 0.00 C ATOM 160 CG PRO A 10 11.889 11.072 3.853 1.00 0.00 C ATOM 161 CD PRO A 10 11.523 12.416 4.536 1.00 0.00 C ATOM 0 HA PRO A 10 8.968 11.915 2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.352 9.504 3.670 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.662 10.354 2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.322 10.379 4.574 1.00 0.00 H new ATOM 0 HG3 PRO A 10 12.634 11.227 3.073 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.832 12.424 5.581 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.022 13.254 4.050 1.00 0.00 H new ATOM 169 N PRO A 11 7.362 10.137 3.630 1.00 0.00 N ATOM 170 CA PRO A 11 6.238 9.437 4.254 1.00 0.00 C ATOM 171 C PRO A 11 6.673 8.041 4.719 1.00 0.00 C ATOM 172 O PRO A 11 7.827 7.815 5.023 1.00 0.00 O ATOM 173 CB PRO A 11 5.224 9.316 3.094 1.00 0.00 C ATOM 174 CG PRO A 11 6.082 9.258 1.814 1.00 0.00 C ATOM 175 CD PRO A 11 7.374 10.049 2.147 1.00 0.00 C ATOM 0 HA PRO A 11 5.841 9.949 5.131 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.611 8.421 3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.544 10.168 3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.311 8.228 1.541 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.557 9.702 0.969 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.263 9.534 1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.368 11.037 1.687 1.00 0.00 H new ATOM 183 N SER A 12 5.737 7.139 4.760 1.00 0.00 N ATOM 184 CA SER A 12 6.055 5.749 5.197 1.00 0.00 C ATOM 185 C SER A 12 6.370 4.877 3.987 1.00 0.00 C ATOM 186 O SER A 12 5.864 5.108 2.908 1.00 0.00 O ATOM 187 CB SER A 12 4.822 5.169 5.925 1.00 0.00 C ATOM 188 OG SER A 12 3.718 5.607 5.149 1.00 0.00 O ATOM 0 H SER A 12 4.762 7.302 4.510 1.00 0.00 H new ATOM 0 HA SER A 12 6.921 5.766 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.866 4.081 5.976 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.757 5.534 6.950 1.00 0.00 H new ATOM 0 HG SER A 12 2.886 5.276 5.547 1.00 0.00 H new ATOM 194 N ALA A 13 7.206 3.900 4.183 1.00 0.00 N ATOM 195 CA ALA A 13 7.559 3.011 3.053 1.00 0.00 C ATOM 196 C ALA A 13 6.321 2.423 2.417 1.00 0.00 C ATOM 197 O ALA A 13 6.316 2.093 1.245 1.00 0.00 O ATOM 198 CB ALA A 13 8.409 1.846 3.594 1.00 0.00 C ATOM 0 H ALA A 13 7.656 3.681 5.072 1.00 0.00 H new ATOM 0 HA ALA A 13 8.101 3.595 2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.678 1.180 2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.315 2.240 4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.836 1.292 4.338 1.00 0.00 H new ATOM 204 N PHE A 14 5.285 2.299 3.199 1.00 0.00 N ATOM 205 CA PHE A 14 4.019 1.725 2.665 1.00 0.00 C ATOM 206 C PHE A 14 3.090 2.805 2.077 1.00 0.00 C ATOM 207 O PHE A 14 2.027 2.504 1.579 1.00 0.00 O ATOM 208 CB PHE A 14 3.347 0.928 3.838 1.00 0.00 C ATOM 209 CG PHE A 14 1.908 1.366 4.130 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.631 2.664 4.467 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.878 0.442 4.092 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.340 3.050 4.763 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.408 0.821 4.388 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.679 2.127 4.724 1.00 0.00 C ATOM 0 H PHE A 14 5.260 2.570 4.182 1.00 0.00 H new ATOM 0 HA PHE A 14 4.228 1.058 1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.352 -0.134 3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.946 1.051 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.429 3.391 4.501 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.087 -0.584 3.828 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.130 4.076 5.025 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.206 0.094 4.357 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.690 2.427 4.957 1.00 0.00 H new ATOM 224 N PHE A 15 3.462 4.044 2.199 1.00 0.00 N ATOM 225 CA PHE A 15 2.582 5.084 1.631 1.00 0.00 C ATOM 226 C PHE A 15 2.742 5.014 0.134 1.00 0.00 C ATOM 227 O PHE A 15 1.783 5.023 -0.607 1.00 0.00 O ATOM 228 CB PHE A 15 3.020 6.463 2.129 1.00 0.00 C ATOM 229 CG PHE A 15 2.235 7.536 1.365 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.873 7.683 1.561 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.874 8.350 0.448 1.00 0.00 C ATOM 232 CE1 PHE A 15 0.165 8.628 0.849 1.00 0.00 C ATOM 233 CE2 PHE A 15 2.163 9.295 -0.261 1.00 0.00 C ATOM 234 CZ PHE A 15 0.810 9.434 -0.061 1.00 0.00 C ATOM 0 H PHE A 15 4.314 4.372 2.655 1.00 0.00 H new ATOM 0 HA PHE A 15 1.545 4.927 1.928 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.838 6.553 3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.091 6.597 1.975 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.362 7.054 2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.937 8.245 0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.898 8.736 1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.670 9.927 -0.975 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.254 10.174 -0.617 1.00 0.00 H new ATOM 244 N LEU A 16 3.975 4.947 -0.286 1.00 0.00 N ATOM 245 CA LEU A 16 4.244 4.868 -1.712 1.00 0.00 C ATOM 246 C LEU A 16 3.546 3.643 -2.256 1.00 0.00 C ATOM 247 O LEU A 16 3.282 3.532 -3.434 1.00 0.00 O ATOM 248 CB LEU A 16 5.752 4.671 -1.893 1.00 0.00 C ATOM 249 CG LEU A 16 6.516 5.945 -1.442 1.00 0.00 C ATOM 250 CD1 LEU A 16 6.770 5.919 0.080 1.00 0.00 C ATOM 251 CD2 LEU A 16 7.868 5.995 -2.173 1.00 0.00 C ATOM 0 H LEU A 16 4.799 4.945 0.315 1.00 0.00 H new ATOM 0 HA LEU A 16 3.901 5.767 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.087 3.812 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.975 4.455 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 16 5.915 6.822 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.307 6.821 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.817 5.875 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.366 5.043 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.415 6.886 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.450 5.107 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.699 6.027 -3.249 1.00 0.00 H new ATOM 263 N PHE A 17 3.256 2.735 -1.354 1.00 0.00 N ATOM 264 CA PHE A 17 2.575 1.487 -1.744 1.00 0.00 C ATOM 265 C PHE A 17 1.067 1.707 -1.797 1.00 0.00 C ATOM 266 O PHE A 17 0.385 1.190 -2.654 1.00 0.00 O ATOM 267 CB PHE A 17 2.918 0.460 -0.670 1.00 0.00 C ATOM 268 CG PHE A 17 2.112 -0.798 -0.836 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.879 -0.917 -0.222 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.632 -1.868 -1.524 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.185 -2.095 -0.288 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.932 -3.045 -1.594 1.00 0.00 C ATOM 273 CZ PHE A 17 0.710 -3.157 -0.970 1.00 0.00 C ATOM 0 H PHE A 17 3.469 2.818 -0.360 1.00 0.00 H new ATOM 0 HA PHE A 17 2.894 1.152 -2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.981 0.222 -0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.731 0.886 0.316 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.461 -0.076 0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.593 -1.782 -2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.775 -2.185 0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.339 -3.884 -2.139 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.164 -4.088 -1.019 1.00 0.00 H new ATOM 283 N CYS A 18 0.580 2.470 -0.863 1.00 0.00 N ATOM 284 CA CYS A 18 -0.870 2.754 -0.822 1.00 0.00 C ATOM 285 C CYS A 18 -1.384 3.293 -2.157 1.00 0.00 C ATOM 286 O CYS A 18 -2.358 2.807 -2.686 1.00 0.00 O ATOM 287 CB CYS A 18 -1.110 3.832 0.258 1.00 0.00 C ATOM 288 SG CYS A 18 -2.762 4.572 0.349 1.00 0.00 S ATOM 0 H CYS A 18 1.130 2.909 -0.125 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.399 1.826 -0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.885 3.391 1.229 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.390 4.635 0.098 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.791 5.451 1.306 1.00 0.00 H new ATOM 294 N SER A 19 -0.705 4.280 -2.680 1.00 0.00 N ATOM 295 CA SER A 19 -1.131 4.872 -3.971 1.00 0.00 C ATOM 296 C SER A 19 -1.306 3.819 -5.051 1.00 0.00 C ATOM 297 O SER A 19 -2.328 3.761 -5.708 1.00 0.00 O ATOM 298 CB SER A 19 -0.042 5.854 -4.426 1.00 0.00 C ATOM 299 OG SER A 19 -0.427 6.216 -5.745 1.00 0.00 O ATOM 0 H SER A 19 0.127 4.699 -2.264 1.00 0.00 H new ATOM 0 HA SER A 19 -2.091 5.366 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.007 6.725 -3.772 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.944 5.389 -4.412 1.00 0.00 H new ATOM 0 HG SER A 19 0.040 5.645 -6.390 1.00 0.00 H new ATOM 305 N GLU A 20 -0.310 3.008 -5.221 1.00 0.00 N ATOM 306 CA GLU A 20 -0.403 1.955 -6.256 1.00 0.00 C ATOM 307 C GLU A 20 -1.446 0.900 -5.877 1.00 0.00 C ATOM 308 O GLU A 20 -2.129 0.374 -6.731 1.00 0.00 O ATOM 309 CB GLU A 20 1.004 1.256 -6.449 1.00 0.00 C ATOM 310 CG GLU A 20 2.042 1.834 -5.491 1.00 0.00 C ATOM 311 CD GLU A 20 2.425 3.254 -5.934 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.537 3.928 -6.425 1.00 0.00 O ATOM 313 OE2 GLU A 20 3.590 3.578 -5.764 1.00 0.00 O ATOM 0 H GLU A 20 0.561 3.028 -4.691 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.709 2.429 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.907 0.184 -6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.341 1.388 -7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.643 1.855 -4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.927 1.198 -5.472 1.00 0.00 H new ATOM 320 N TYR A 21 -1.540 0.598 -4.603 1.00 0.00 N ATOM 321 CA TYR A 21 -2.528 -0.420 -4.156 1.00 0.00 C ATOM 322 C TYR A 21 -3.843 0.198 -3.689 1.00 0.00 C ATOM 323 O TYR A 21 -4.616 -0.439 -3.002 1.00 0.00 O ATOM 324 CB TYR A 21 -1.891 -1.189 -2.991 1.00 0.00 C ATOM 325 CG TYR A 21 -0.929 -2.228 -3.541 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.358 -1.874 -3.889 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.327 -3.541 -3.674 1.00 0.00 C ATOM 328 CE1 TYR A 21 1.237 -2.827 -4.363 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.451 -4.492 -4.148 1.00 0.00 C ATOM 330 CZ TYR A 21 0.839 -4.144 -4.496 1.00 0.00 C ATOM 331 OH TYR A 21 1.717 -5.096 -4.969 1.00 0.00 O ATOM 0 H TYR A 21 -0.976 1.013 -3.861 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.768 -1.068 -4.999 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.363 -0.501 -2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.664 -1.673 -2.394 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.679 -0.848 -3.790 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.333 -3.826 -3.404 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.243 -2.541 -4.632 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.775 -5.517 -4.248 1.00 0.00 H new ATOM 0 HH TYR A 21 1.270 -5.968 -4.997 1.00 0.00 H new ATOM 341 N ARG A 22 -4.083 1.411 -4.075 1.00 0.00 N ATOM 342 CA ARG A 22 -5.353 2.074 -3.655 1.00 0.00 C ATOM 343 C ARG A 22 -6.531 1.674 -4.580 1.00 0.00 C ATOM 344 O ARG A 22 -7.623 1.432 -4.111 1.00 0.00 O ATOM 345 CB ARG A 22 -5.173 3.640 -3.684 1.00 0.00 C ATOM 346 CG ARG A 22 -5.763 4.256 -2.400 1.00 0.00 C ATOM 347 CD ARG A 22 -5.681 5.782 -2.496 1.00 0.00 C ATOM 348 NE ARG A 22 -4.251 6.196 -2.440 1.00 0.00 N ATOM 349 CZ ARG A 22 -3.937 7.449 -2.627 1.00 0.00 C ATOM 350 NH1 ARG A 22 -4.467 8.094 -3.633 1.00 0.00 N ATOM 351 NH2 ARG A 22 -3.103 8.019 -1.801 1.00 0.00 N ATOM 0 H ARG A 22 -3.465 1.975 -4.659 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.585 1.745 -2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.116 3.892 -3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.670 4.056 -4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.799 3.942 -2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.214 3.904 -1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.136 6.126 -3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.238 6.241 -1.679 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.523 5.506 -2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.116 7.618 -4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.231 9.074 -3.792 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.709 7.486 -1.026 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.845 8.997 -1.931 1.00 0.00 H new ATOM 365 N PRO A 23 -6.280 1.616 -5.895 1.00 0.00 N ATOM 366 CA PRO A 23 -7.318 1.251 -6.854 1.00 0.00 C ATOM 367 C PRO A 23 -7.500 -0.273 -6.923 1.00 0.00 C ATOM 368 O PRO A 23 -8.582 -0.760 -7.179 1.00 0.00 O ATOM 369 CB PRO A 23 -6.780 1.782 -8.220 1.00 0.00 C ATOM 370 CG PRO A 23 -5.270 2.141 -8.000 1.00 0.00 C ATOM 371 CD PRO A 23 -4.971 1.923 -6.497 1.00 0.00 C ATOM 0 HA PRO A 23 -8.288 1.667 -6.582 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.889 1.027 -8.999 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.343 2.657 -8.544 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.629 1.511 -8.617 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.073 3.174 -8.287 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.265 1.106 -6.348 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.528 2.812 -6.049 1.00 0.00 H new ATOM 379 N LYS A 24 -6.431 -0.993 -6.687 1.00 0.00 N ATOM 380 CA LYS A 24 -6.520 -2.464 -6.734 1.00 0.00 C ATOM 381 C LYS A 24 -7.673 -2.950 -5.890 1.00 0.00 C ATOM 382 O LYS A 24 -8.550 -3.644 -6.364 1.00 0.00 O ATOM 383 CB LYS A 24 -5.221 -3.039 -6.158 1.00 0.00 C ATOM 384 CG LYS A 24 -4.020 -2.530 -6.967 1.00 0.00 C ATOM 385 CD LYS A 24 -4.057 -3.114 -8.393 1.00 0.00 C ATOM 386 CE LYS A 24 -2.655 -3.038 -9.007 1.00 0.00 C ATOM 387 NZ LYS A 24 -2.721 -3.247 -10.478 1.00 0.00 N ATOM 0 H LYS A 24 -5.509 -0.617 -6.466 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.673 -2.784 -7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.116 -2.748 -5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.252 -4.128 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.036 -1.441 -7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.091 -2.815 -6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.399 -4.149 -8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.766 -2.559 -9.007 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.209 -2.067 -8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.012 -3.793 -8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.763 -3.193 -10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.128 -4.183 -10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.318 -2.512 -10.907 1.00 0.00 H new ATOM 401 N ILE A 25 -7.651 -2.574 -4.646 1.00 0.00 N ATOM 402 CA ILE A 25 -8.728 -2.993 -3.735 1.00 0.00 C ATOM 403 C ILE A 25 -9.962 -2.109 -3.942 1.00 0.00 C ATOM 404 O ILE A 25 -11.021 -2.596 -4.281 1.00 0.00 O ATOM 405 CB ILE A 25 -8.214 -2.866 -2.262 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.039 -1.871 -2.190 1.00 0.00 C ATOM 407 CG2 ILE A 25 -7.714 -4.264 -1.787 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.851 -1.385 -0.740 1.00 0.00 C ATOM 0 H ILE A 25 -6.927 -1.992 -4.225 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.007 -4.027 -3.940 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.025 -2.509 -1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.125 -2.348 -2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.230 -1.021 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.352 -4.192 -0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.535 -4.979 -1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.904 -4.600 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.019 -0.682 -0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.761 -0.891 -0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.639 -2.238 -0.095 1.00 0.00 H new ATOM 420 N LYS A 26 -9.799 -0.821 -3.748 1.00 0.00 N ATOM 421 CA LYS A 26 -10.953 0.093 -3.933 1.00 0.00 C ATOM 422 C LYS A 26 -11.633 -0.215 -5.254 1.00 0.00 C ATOM 423 O LYS A 26 -12.814 0.017 -5.425 1.00 0.00 O ATOM 424 CB LYS A 26 -10.430 1.550 -3.955 1.00 0.00 C ATOM 425 CG LYS A 26 -11.622 2.545 -3.972 1.00 0.00 C ATOM 426 CD LYS A 26 -12.103 2.806 -2.541 1.00 0.00 C ATOM 427 CE LYS A 26 -13.194 3.884 -2.570 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.687 5.122 -3.233 1.00 0.00 N ATOM 0 H LYS A 26 -8.924 -0.374 -3.473 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.667 -0.038 -3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.805 1.734 -3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.803 1.706 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.319 3.482 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.437 2.139 -4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.493 1.888 -2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.270 3.130 -1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.068 3.511 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.514 4.113 -1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.309 5.922 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.722 5.324 -2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.676 4.984 -4.264 1.00 0.00 H new ATOM 442 N GLY A 27 -10.874 -0.749 -6.166 1.00 0.00 N ATOM 443 CA GLY A 27 -11.457 -1.079 -7.475 1.00 0.00 C ATOM 444 C GLY A 27 -12.592 -2.057 -7.259 1.00 0.00 C ATOM 445 O GLY A 27 -13.733 -1.776 -7.561 1.00 0.00 O ATOM 0 H GLY A 27 -9.884 -0.967 -6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.822 -0.177 -7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.701 -1.514 -8.128 1.00 0.00 H new ATOM 449 N GLU A 28 -12.247 -3.193 -6.726 1.00 0.00 N ATOM 450 CA GLU A 28 -13.258 -4.216 -6.468 1.00 0.00 C ATOM 451 C GLU A 28 -14.050 -3.849 -5.216 1.00 0.00 C ATOM 452 O GLU A 28 -14.960 -4.550 -4.820 1.00 0.00 O ATOM 453 CB GLU A 28 -12.531 -5.549 -6.243 1.00 0.00 C ATOM 454 CG GLU A 28 -12.134 -6.138 -7.601 1.00 0.00 C ATOM 455 CD GLU A 28 -11.458 -7.493 -7.390 1.00 0.00 C ATOM 456 OE1 GLU A 28 -10.290 -7.465 -7.038 1.00 0.00 O ATOM 457 OE2 GLU A 28 -12.147 -8.478 -7.594 1.00 0.00 O ATOM 0 H GLU A 28 -11.295 -3.446 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.946 -4.293 -7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.645 -5.395 -5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.177 -6.244 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.016 -6.254 -8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.458 -5.459 -8.120 1.00 0.00 H new ATOM 464 N HIS A 29 -13.676 -2.737 -4.614 1.00 0.00 N ATOM 465 CA HIS A 29 -14.371 -2.272 -3.380 1.00 0.00 C ATOM 466 C HIS A 29 -14.644 -0.759 -3.451 1.00 0.00 C ATOM 467 O HIS A 29 -14.067 0.007 -2.703 1.00 0.00 O ATOM 468 CB HIS A 29 -13.429 -2.525 -2.197 1.00 0.00 C ATOM 469 CG HIS A 29 -13.389 -4.021 -1.876 1.00 0.00 C ATOM 470 ND1 HIS A 29 -13.972 -4.558 -0.912 1.00 0.00 N ATOM 471 CD2 HIS A 29 -12.713 -5.042 -2.514 1.00 0.00 C ATOM 472 CE1 HIS A 29 -13.745 -5.803 -0.866 1.00 0.00 C ATOM 473 NE2 HIS A 29 -12.947 -6.211 -1.855 1.00 0.00 N ATOM 0 H HIS A 29 -12.916 -2.135 -4.932 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.317 -2.802 -3.273 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.427 -2.168 -2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -13.767 -1.966 -1.325 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.097 -4.931 -3.394 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.151 -6.460 -0.112 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.604 -7.149 -2.062 1.00 0.00 H new ATOM 481 N PRO A 30 -15.523 -0.353 -4.357 1.00 0.00 N ATOM 482 CA PRO A 30 -15.849 1.062 -4.503 1.00 0.00 C ATOM 483 C PRO A 30 -16.618 1.578 -3.274 1.00 0.00 C ATOM 484 O PRO A 30 -17.812 1.807 -3.328 1.00 0.00 O ATOM 485 CB PRO A 30 -16.732 1.134 -5.795 1.00 0.00 C ATOM 486 CG PRO A 30 -17.052 -0.343 -6.212 1.00 0.00 C ATOM 487 CD PRO A 30 -16.225 -1.266 -5.280 1.00 0.00 C ATOM 0 HA PRO A 30 -14.959 1.686 -4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.651 1.689 -5.604 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.205 1.655 -6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.118 -0.550 -6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.790 -0.514 -7.256 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.870 -1.957 -4.736 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.519 -1.870 -5.849 1.00 0.00 H new ATOM 495 N GLY A 31 -15.919 1.739 -2.184 1.00 0.00 N ATOM 496 CA GLY A 31 -16.605 2.235 -0.958 1.00 0.00 C ATOM 497 C GLY A 31 -15.728 2.074 0.289 1.00 0.00 C ATOM 498 O GLY A 31 -16.235 2.012 1.391 1.00 0.00 O ATOM 0 H GLY A 31 -14.921 1.553 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.865 3.286 -1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.539 1.691 -0.818 1.00 0.00 H new ATOM 502 N LEU A 32 -14.432 2.008 0.107 1.00 0.00 N ATOM 503 CA LEU A 32 -13.561 1.852 1.298 1.00 0.00 C ATOM 504 C LEU A 32 -13.460 3.159 2.049 1.00 0.00 C ATOM 505 O LEU A 32 -13.487 4.225 1.466 1.00 0.00 O ATOM 506 CB LEU A 32 -12.102 1.488 0.870 1.00 0.00 C ATOM 507 CG LEU A 32 -11.952 0.040 0.332 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.463 -0.343 0.439 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.757 -0.958 1.175 1.00 0.00 C ATOM 0 H LEU A 32 -13.955 2.055 -0.793 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.000 1.068 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.773 2.187 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.439 1.619 1.725 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.318 0.004 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.321 -1.358 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.866 0.348 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.148 -0.290 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.629 -1.962 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.402 -0.934 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.813 -0.688 1.149 1.00 0.00 H new ATOM 521 N SER A 33 -13.347 3.049 3.337 1.00 0.00 N ATOM 522 CA SER A 33 -13.235 4.251 4.175 1.00 0.00 C ATOM 523 C SER A 33 -11.762 4.525 4.393 1.00 0.00 C ATOM 524 O SER A 33 -10.975 3.602 4.440 1.00 0.00 O ATOM 525 CB SER A 33 -13.904 3.976 5.533 1.00 0.00 C ATOM 526 OG SER A 33 -15.146 3.377 5.192 1.00 0.00 O ATOM 0 H SER A 33 -13.328 2.164 3.845 1.00 0.00 H new ATOM 0 HA SER A 33 -13.718 5.104 3.698 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.297 3.313 6.149 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.047 4.896 6.100 1.00 0.00 H new ATOM 0 HG SER A 33 -15.642 3.165 6.010 1.00 0.00 H new ATOM 532 N ILE A 34 -11.395 5.768 4.517 1.00 0.00 N ATOM 533 CA ILE A 34 -9.955 6.071 4.731 1.00 0.00 C ATOM 534 C ILE A 34 -9.361 5.126 5.765 1.00 0.00 C ATOM 535 O ILE A 34 -8.180 4.836 5.750 1.00 0.00 O ATOM 536 CB ILE A 34 -9.833 7.509 5.233 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.620 8.445 4.313 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.344 7.921 5.202 1.00 0.00 C ATOM 539 CD1 ILE A 34 -10.338 9.907 4.697 1.00 0.00 C ATOM 0 H ILE A 34 -12.018 6.575 4.480 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.414 5.945 3.793 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.227 7.576 6.247 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.339 8.271 3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.687 8.237 4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.243 8.946 5.558 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.769 7.255 5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.969 7.853 4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.900 10.571 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.641 10.077 5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.272 10.111 4.594 1.00 0.00 H new ATOM 551 N GLY A 35 -10.196 4.663 6.643 1.00 0.00 N ATOM 552 CA GLY A 35 -9.710 3.733 7.687 1.00 0.00 C ATOM 553 C GLY A 35 -9.508 2.338 7.086 1.00 0.00 C ATOM 554 O GLY A 35 -8.577 1.648 7.426 1.00 0.00 O ATOM 0 H GLY A 35 -11.190 4.887 6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.772 4.099 8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.427 3.686 8.507 1.00 0.00 H new ATOM 558 N ASP A 36 -10.384 1.961 6.183 1.00 0.00 N ATOM 559 CA ASP A 36 -10.256 0.623 5.553 1.00 0.00 C ATOM 560 C ASP A 36 -9.149 0.610 4.525 1.00 0.00 C ATOM 561 O ASP A 36 -8.378 -0.326 4.441 1.00 0.00 O ATOM 562 CB ASP A 36 -11.592 0.295 4.846 1.00 0.00 C ATOM 563 CG ASP A 36 -11.798 -1.225 4.804 1.00 0.00 C ATOM 564 OD1 ASP A 36 -11.275 -1.814 3.872 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.460 -1.707 5.707 1.00 0.00 O ATOM 0 H ASP A 36 -11.173 2.522 5.862 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.021 -0.112 6.323 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.419 0.769 5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.587 0.699 3.834 1.00 0.00 H new ATOM 570 N VAL A 37 -9.091 1.649 3.762 1.00 0.00 N ATOM 571 CA VAL A 37 -8.052 1.730 2.731 1.00 0.00 C ATOM 572 C VAL A 37 -6.699 1.484 3.347 1.00 0.00 C ATOM 573 O VAL A 37 -6.028 0.533 3.033 1.00 0.00 O ATOM 574 CB VAL A 37 -8.081 3.165 2.137 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.882 3.346 1.202 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.389 3.379 1.364 1.00 0.00 C ATOM 0 H VAL A 37 -9.723 2.448 3.811 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.233 0.983 1.958 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.025 3.898 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.897 4.352 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.958 3.200 1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.936 2.615 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.406 4.387 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.456 2.652 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.235 3.251 2.039 1.00 0.00 H new ATOM 586 N ALA A 38 -6.348 2.330 4.235 1.00 0.00 N ATOM 587 CA ALA A 38 -5.052 2.192 4.902 1.00 0.00 C ATOM 588 C ALA A 38 -4.903 0.830 5.594 1.00 0.00 C ATOM 589 O ALA A 38 -3.841 0.239 5.558 1.00 0.00 O ATOM 590 CB ALA A 38 -4.952 3.314 5.915 1.00 0.00 C ATOM 0 H ALA A 38 -6.910 3.127 4.536 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.251 2.250 4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.997 3.249 6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.021 4.274 5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.766 3.228 6.635 1.00 0.00 H new ATOM 596 N LYS A 39 -5.956 0.350 6.216 1.00 0.00 N ATOM 597 CA LYS A 39 -5.844 -0.966 6.894 1.00 0.00 C ATOM 598 C LYS A 39 -5.555 -2.064 5.867 1.00 0.00 C ATOM 599 O LYS A 39 -4.536 -2.723 5.927 1.00 0.00 O ATOM 600 CB LYS A 39 -7.195 -1.265 7.638 1.00 0.00 C ATOM 601 CG LYS A 39 -7.015 -1.069 9.161 1.00 0.00 C ATOM 602 CD LYS A 39 -6.811 0.427 9.467 1.00 0.00 C ATOM 603 CE LYS A 39 -6.140 0.585 10.839 1.00 0.00 C ATOM 604 NZ LYS A 39 -4.762 0.026 10.815 1.00 0.00 N ATOM 0 H LYS A 39 -6.866 0.807 6.279 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.024 -0.943 7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.978 -0.603 7.268 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.516 -2.286 7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.890 -1.444 9.692 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.158 -1.643 9.513 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.194 0.886 8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.770 0.945 9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.106 1.639 11.114 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.732 0.076 11.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.169 0.535 11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.792 -0.983 11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.360 0.135 9.862 1.00 0.00 H new ATOM 618 N LYS A 40 -6.459 -2.234 4.950 1.00 0.00 N ATOM 619 CA LYS A 40 -6.266 -3.277 3.906 1.00 0.00 C ATOM 620 C LYS A 40 -4.879 -3.166 3.314 1.00 0.00 C ATOM 621 O LYS A 40 -4.258 -4.145 2.971 1.00 0.00 O ATOM 622 CB LYS A 40 -7.297 -3.037 2.788 1.00 0.00 C ATOM 623 CG LYS A 40 -8.706 -3.455 3.272 1.00 0.00 C ATOM 624 CD LYS A 40 -8.913 -4.962 3.030 1.00 0.00 C ATOM 625 CE LYS A 40 -10.313 -5.360 3.502 1.00 0.00 C ATOM 626 NZ LYS A 40 -10.353 -5.456 4.988 1.00 0.00 N ATOM 0 H LYS A 40 -7.323 -1.698 4.876 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.391 -4.265 4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.298 -1.985 2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.024 -3.608 1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.819 -3.228 4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.468 -2.884 2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.794 -5.192 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.158 -5.536 3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.042 -4.625 3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.594 -6.317 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.284 -5.809 5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.613 -6.111 5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.189 -4.516 5.401 1.00 0.00 H new ATOM 640 N LEU A 41 -4.434 -1.968 3.169 1.00 0.00 N ATOM 641 CA LEU A 41 -3.096 -1.772 2.607 1.00 0.00 C ATOM 642 C LEU A 41 -2.073 -2.212 3.602 1.00 0.00 C ATOM 643 O LEU A 41 -1.069 -2.803 3.257 1.00 0.00 O ATOM 644 CB LEU A 41 -2.893 -0.279 2.329 1.00 0.00 C ATOM 645 CG LEU A 41 -3.754 0.148 1.139 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.770 1.672 1.088 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.162 -0.418 -0.168 1.00 0.00 C ATOM 0 H LEU A 41 -4.939 -1.117 3.415 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.994 -2.350 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.160 0.304 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.842 -0.078 2.120 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.768 -0.235 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.379 2.001 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.190 2.063 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.752 2.043 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.780 -0.110 -1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.149 -0.038 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.137 -1.506 -0.115 1.00 0.00 H new ATOM 659 N GLY A 42 -2.344 -1.917 4.827 1.00 0.00 N ATOM 660 CA GLY A 42 -1.407 -2.303 5.877 1.00 0.00 C ATOM 661 C GLY A 42 -1.308 -3.828 5.927 1.00 0.00 C ATOM 662 O GLY A 42 -0.330 -4.382 6.390 1.00 0.00 O ATOM 0 H GLY A 42 -3.179 -1.423 5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.426 -1.869 5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.742 -1.917 6.840 1.00 0.00 H new ATOM 666 N GLU A 43 -2.342 -4.476 5.434 1.00 0.00 N ATOM 667 CA GLU A 43 -2.358 -5.950 5.430 1.00 0.00 C ATOM 668 C GLU A 43 -1.519 -6.491 4.273 1.00 0.00 C ATOM 669 O GLU A 43 -0.595 -7.254 4.477 1.00 0.00 O ATOM 670 CB GLU A 43 -3.828 -6.405 5.254 1.00 0.00 C ATOM 671 CG GLU A 43 -4.533 -6.373 6.614 1.00 0.00 C ATOM 672 CD GLU A 43 -5.988 -6.818 6.439 1.00 0.00 C ATOM 673 OE1 GLU A 43 -6.208 -7.606 5.534 1.00 0.00 O ATOM 674 OE2 GLU A 43 -6.795 -6.344 7.221 1.00 0.00 O ATOM 0 H GLU A 43 -3.170 -4.033 5.037 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.940 -6.328 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.342 -5.751 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.862 -7.412 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.022 -7.030 7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.496 -5.367 7.032 1.00 0.00 H new ATOM 681 N MET A 44 -1.857 -6.089 3.077 1.00 0.00 N ATOM 682 CA MET A 44 -1.084 -6.576 1.911 1.00 0.00 C ATOM 683 C MET A 44 0.376 -6.222 2.080 1.00 0.00 C ATOM 684 O MET A 44 1.245 -7.057 1.938 1.00 0.00 O ATOM 685 CB MET A 44 -1.644 -5.905 0.634 1.00 0.00 C ATOM 686 CG MET A 44 -2.922 -6.642 0.220 1.00 0.00 C ATOM 687 SD MET A 44 -3.882 -5.954 -1.146 1.00 0.00 S ATOM 688 CE MET A 44 -4.101 -4.304 -0.448 1.00 0.00 C ATOM 0 H MET A 44 -2.625 -5.453 2.864 1.00 0.00 H new ATOM 0 HA MET A 44 -1.173 -7.659 1.831 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.857 -4.853 0.821 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.907 -5.943 -0.169 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.650 -7.664 -0.043 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.573 -6.700 1.092 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.922 -3.800 -0.957 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.328 -4.386 0.615 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.185 -3.729 -0.580 1.00 0.00 H new ATOM 698 N TRP A 45 0.619 -4.993 2.385 1.00 0.00 N ATOM 699 CA TRP A 45 2.011 -4.553 2.575 1.00 0.00 C ATOM 700 C TRP A 45 2.713 -5.474 3.547 1.00 0.00 C ATOM 701 O TRP A 45 3.688 -6.113 3.219 1.00 0.00 O ATOM 702 CB TRP A 45 1.957 -3.158 3.174 1.00 0.00 C ATOM 703 CG TRP A 45 3.344 -2.697 3.596 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.712 -2.548 4.854 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.273 -2.267 2.778 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.916 -1.988 4.773 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.353 -1.768 3.484 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.273 -2.207 1.400 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.414 -1.215 2.816 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.340 -1.652 0.735 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.404 -1.154 1.444 1.00 0.00 C ATOM 0 H TRP A 45 -0.089 -4.270 2.512 1.00 0.00 H new ATOM 0 HA TRP A 45 2.550 -4.564 1.628 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.543 -2.461 2.446 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.289 -3.153 4.036 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.163 -2.818 5.744 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.469 -1.742 5.594 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.434 -2.597 0.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.257 -0.827 3.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.341 -1.608 -0.344 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.238 -0.712 0.920 1.00 0.00 H new ATOM 722 N ASN A 46 2.199 -5.516 4.734 1.00 0.00 N ATOM 723 CA ASN A 46 2.808 -6.387 5.764 1.00 0.00 C ATOM 724 C ASN A 46 3.102 -7.767 5.180 1.00 0.00 C ATOM 725 O ASN A 46 4.083 -8.398 5.519 1.00 0.00 O ATOM 726 CB ASN A 46 1.799 -6.536 6.927 1.00 0.00 C ATOM 727 CG ASN A 46 1.941 -5.353 7.891 1.00 0.00 C ATOM 728 OD1 ASN A 46 2.315 -4.263 7.505 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.656 -5.526 9.153 1.00 0.00 N ATOM 0 H ASN A 46 1.383 -4.985 5.037 1.00 0.00 H new ATOM 0 HA ASN A 46 3.741 -5.946 6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.783 -6.578 6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.976 -7.472 7.457 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.748 -4.749 9.808 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.341 -6.438 9.484 1.00 0.00 H new ATOM 736 N ASN A 47 2.230 -8.204 4.308 1.00 0.00 N ATOM 737 CA ASN A 47 2.418 -9.530 3.681 1.00 0.00 C ATOM 738 C ASN A 47 3.417 -9.462 2.522 1.00 0.00 C ATOM 739 O ASN A 47 4.060 -10.441 2.200 1.00 0.00 O ATOM 740 CB ASN A 47 1.061 -9.990 3.130 1.00 0.00 C ATOM 741 CG ASN A 47 0.025 -9.985 4.257 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.361 -9.937 5.423 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.242 -10.034 3.951 1.00 0.00 N ATOM 0 H ASN A 47 1.399 -7.694 4.008 1.00 0.00 H new ATOM 0 HA ASN A 47 2.806 -10.223 4.428 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.741 -9.330 2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.149 -10.990 2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.945 -10.032 4.690 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.529 -10.074 2.973 1.00 0.00 H new ATOM 750 N THR A 48 3.528 -8.307 1.918 1.00 0.00 N ATOM 751 CA THR A 48 4.480 -8.166 0.780 1.00 0.00 C ATOM 752 C THR A 48 5.836 -8.775 1.116 1.00 0.00 C ATOM 753 O THR A 48 6.391 -8.523 2.166 1.00 0.00 O ATOM 754 CB THR A 48 4.674 -6.669 0.487 1.00 0.00 C ATOM 755 OG1 THR A 48 3.390 -6.183 0.156 1.00 0.00 O ATOM 756 CG2 THR A 48 5.514 -6.449 -0.792 1.00 0.00 C ATOM 0 H THR A 48 3.006 -7.465 2.161 1.00 0.00 H new ATOM 0 HA THR A 48 4.069 -8.688 -0.084 1.00 0.00 H new ATOM 0 HB THR A 48 5.156 -6.192 1.340 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.464 -5.265 -0.180 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.632 -5.380 -0.970 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.495 -6.907 -0.666 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.008 -6.905 -1.643 1.00 0.00 H new ATOM 764 N ALA A 49 6.344 -9.569 0.212 1.00 0.00 N ATOM 765 CA ALA A 49 7.657 -10.205 0.453 1.00 0.00 C ATOM 766 C ALA A 49 8.730 -9.154 0.724 1.00 0.00 C ATOM 767 O ALA A 49 8.474 -7.970 0.658 1.00 0.00 O ATOM 768 CB ALA A 49 8.044 -11.001 -0.800 1.00 0.00 C ATOM 0 H ALA A 49 5.903 -9.800 -0.678 1.00 0.00 H new ATOM 0 HA ALA A 49 7.584 -10.856 1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.011 -11.479 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.290 -11.763 -0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.107 -10.327 -1.654 1.00 0.00 H new ATOM 774 N ALA A 50 9.919 -9.611 1.023 1.00 0.00 N ATOM 775 CA ALA A 50 11.020 -8.663 1.300 1.00 0.00 C ATOM 776 C ALA A 50 11.561 -8.047 0.007 1.00 0.00 C ATOM 777 O ALA A 50 11.568 -6.844 -0.156 1.00 0.00 O ATOM 778 CB ALA A 50 12.157 -9.434 2.000 1.00 0.00 C ATOM 0 H ALA A 50 10.167 -10.598 1.085 1.00 0.00 H new ATOM 0 HA ALA A 50 10.642 -7.858 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.981 -8.753 2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.787 -9.860 2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.508 -10.235 1.349 1.00 0.00 H new ATOM 784 N ASP A 51 12.004 -8.891 -0.884 1.00 0.00 N ATOM 785 CA ASP A 51 12.548 -8.386 -2.165 1.00 0.00 C ATOM 786 C ASP A 51 11.532 -7.512 -2.888 1.00 0.00 C ATOM 787 O ASP A 51 11.873 -6.773 -3.790 1.00 0.00 O ATOM 788 CB ASP A 51 12.866 -9.596 -3.055 1.00 0.00 C ATOM 789 CG ASP A 51 14.001 -10.411 -2.427 1.00 0.00 C ATOM 790 OD1 ASP A 51 14.363 -10.069 -1.312 1.00 0.00 O ATOM 791 OD2 ASP A 51 14.443 -11.330 -3.097 1.00 0.00 O ATOM 0 H ASP A 51 12.011 -9.905 -0.776 1.00 0.00 H new ATOM 0 HA ASP A 51 13.437 -7.789 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.979 -10.218 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.153 -9.262 -4.052 1.00 0.00 H new ATOM 796 N ASP A 52 10.298 -7.615 -2.481 1.00 0.00 N ATOM 797 CA ASP A 52 9.236 -6.798 -3.133 1.00 0.00 C ATOM 798 C ASP A 52 9.191 -5.373 -2.574 1.00 0.00 C ATOM 799 O ASP A 52 8.643 -4.484 -3.193 1.00 0.00 O ATOM 800 CB ASP A 52 7.883 -7.475 -2.861 1.00 0.00 C ATOM 801 CG ASP A 52 7.757 -8.722 -3.739 1.00 0.00 C ATOM 802 OD1 ASP A 52 8.734 -9.451 -3.787 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.691 -8.875 -4.314 1.00 0.00 O ATOM 0 H ASP A 52 9.979 -8.226 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 52 9.450 -6.735 -4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.805 -7.748 -1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.068 -6.783 -3.073 1.00 0.00 H new ATOM 808 N LYS A 53 9.759 -5.178 -1.412 1.00 0.00 N ATOM 809 CA LYS A 53 9.753 -3.811 -0.809 1.00 0.00 C ATOM 810 C LYS A 53 10.903 -2.967 -1.345 1.00 0.00 C ATOM 811 O LYS A 53 10.927 -1.765 -1.181 1.00 0.00 O ATOM 812 CB LYS A 53 9.920 -3.956 0.710 1.00 0.00 C ATOM 813 CG LYS A 53 8.641 -4.574 1.312 1.00 0.00 C ATOM 814 CD LYS A 53 8.592 -4.279 2.814 1.00 0.00 C ATOM 815 CE LYS A 53 7.427 -5.051 3.436 1.00 0.00 C ATOM 816 NZ LYS A 53 7.738 -6.507 3.490 1.00 0.00 N ATOM 0 H LYS A 53 10.223 -5.898 -0.859 1.00 0.00 H new ATOM 0 HA LYS A 53 8.814 -3.318 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.781 -4.586 0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.113 -2.982 1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.759 -4.163 0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.629 -5.650 1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.531 -4.570 3.286 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.468 -3.209 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.230 -4.677 4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.521 -4.888 2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.071 -7.027 2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.709 -6.667 3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.651 -6.844 4.470 1.00 0.00 H new ATOM 830 N GLN A 54 11.832 -3.616 -1.971 1.00 0.00 N ATOM 831 CA GLN A 54 12.992 -2.893 -2.529 1.00 0.00 C ATOM 832 C GLN A 54 12.579 -1.641 -3.371 1.00 0.00 C ATOM 833 O GLN A 54 13.021 -0.555 -3.097 1.00 0.00 O ATOM 834 CB GLN A 54 13.797 -3.894 -3.407 1.00 0.00 C ATOM 835 CG GLN A 54 15.089 -4.311 -2.680 1.00 0.00 C ATOM 836 CD GLN A 54 15.782 -5.424 -3.465 1.00 0.00 C ATOM 837 OE1 GLN A 54 15.495 -5.655 -4.621 1.00 0.00 O ATOM 838 NE2 GLN A 54 16.707 -6.133 -2.873 1.00 0.00 N ATOM 0 H GLN A 54 11.837 -4.625 -2.121 1.00 0.00 H new ATOM 0 HA GLN A 54 13.597 -2.515 -1.705 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.190 -4.774 -3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.041 -3.435 -4.365 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.755 -3.454 -2.580 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.857 -4.654 -1.672 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.952 -5.943 -1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.184 -6.877 -3.383 1.00 0.00 H new ATOM 847 N PRO A 55 11.746 -1.811 -4.387 1.00 0.00 N ATOM 848 CA PRO A 55 11.339 -0.665 -5.197 1.00 0.00 C ATOM 849 C PRO A 55 10.830 0.494 -4.350 1.00 0.00 C ATOM 850 O PRO A 55 11.162 1.633 -4.588 1.00 0.00 O ATOM 851 CB PRO A 55 10.186 -1.205 -6.097 1.00 0.00 C ATOM 852 CG PRO A 55 10.131 -2.756 -5.901 1.00 0.00 C ATOM 853 CD PRO A 55 11.156 -3.109 -4.790 1.00 0.00 C ATOM 0 HA PRO A 55 12.184 -0.272 -5.763 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.236 -0.749 -5.819 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.366 -0.956 -7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.128 -3.073 -5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.376 -3.271 -6.830 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.671 -3.601 -3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.920 -3.792 -5.161 1.00 0.00 H new ATOM 861 N TYR A 56 10.051 0.174 -3.385 1.00 0.00 N ATOM 862 CA TYR A 56 9.502 1.234 -2.511 1.00 0.00 C ATOM 863 C TYR A 56 10.561 1.893 -1.653 1.00 0.00 C ATOM 864 O TYR A 56 10.759 3.090 -1.732 1.00 0.00 O ATOM 865 CB TYR A 56 8.453 0.602 -1.611 1.00 0.00 C ATOM 866 CG TYR A 56 7.255 0.227 -2.463 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.445 1.204 -2.963 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.968 -1.086 -2.734 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.348 0.888 -3.726 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.870 -1.419 -3.497 1.00 0.00 C ATOM 871 CZ TYR A 56 5.048 -0.433 -4.003 1.00 0.00 C ATOM 872 OH TYR A 56 3.951 -0.760 -4.771 1.00 0.00 O ATOM 0 H TYR A 56 9.763 -0.777 -3.154 1.00 0.00 H new ATOM 0 HA TYR A 56 9.077 2.012 -3.145 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.859 -0.281 -1.118 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.157 1.298 -0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.670 2.240 -2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.607 -1.865 -2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.717 1.675 -4.112 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.652 -2.457 -3.700 1.00 0.00 H new ATOM 0 HH TYR A 56 4.023 -1.693 -5.063 1.00 0.00 H new ATOM 882 N GLU A 57 11.235 1.126 -0.847 1.00 0.00 N ATOM 883 CA GLU A 57 12.273 1.753 0.000 1.00 0.00 C ATOM 884 C GLU A 57 13.262 2.474 -0.886 1.00 0.00 C ATOM 885 O GLU A 57 13.675 3.582 -0.611 1.00 0.00 O ATOM 886 CB GLU A 57 12.977 0.648 0.833 1.00 0.00 C ATOM 887 CG GLU A 57 14.019 -0.084 -0.005 1.00 0.00 C ATOM 888 CD GLU A 57 14.490 -1.331 0.745 1.00 0.00 C ATOM 889 OE1 GLU A 57 13.617 -2.035 1.224 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.696 -1.510 0.795 1.00 0.00 O ATOM 0 H GLU A 57 11.115 0.119 -0.741 1.00 0.00 H new ATOM 0 HA GLU A 57 11.827 2.476 0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.454 1.093 1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.237 -0.062 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.595 -0.365 -0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.865 0.573 -0.208 1.00 0.00 H new ATOM 897 N LYS A 58 13.606 1.818 -1.936 1.00 0.00 N ATOM 898 CA LYS A 58 14.563 2.405 -2.890 1.00 0.00 C ATOM 899 C LYS A 58 14.008 3.709 -3.433 1.00 0.00 C ATOM 900 O LYS A 58 14.702 4.704 -3.487 1.00 0.00 O ATOM 901 CB LYS A 58 14.770 1.405 -4.060 1.00 0.00 C ATOM 902 CG LYS A 58 15.888 1.923 -5.009 1.00 0.00 C ATOM 903 CD LYS A 58 17.259 1.443 -4.506 1.00 0.00 C ATOM 904 CE LYS A 58 18.359 2.212 -5.241 1.00 0.00 C ATOM 905 NZ LYS A 58 18.231 3.674 -4.985 1.00 0.00 N ATOM 0 H LYS A 58 13.263 0.889 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 58 15.512 2.602 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.039 0.424 -3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.839 1.282 -4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.715 1.561 -6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.866 3.012 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.342 1.603 -3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.369 0.372 -4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.338 1.863 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.295 2.017 -6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.169 4.120 -5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.604 4.098 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.830 3.827 -4.038 1.00 0.00 H new ATOM 919 N LYS A 59 12.764 3.691 -3.833 1.00 0.00 N ATOM 920 CA LYS A 59 12.178 4.928 -4.366 1.00 0.00 C ATOM 921 C LYS A 59 12.269 6.004 -3.323 1.00 0.00 C ATOM 922 O LYS A 59 12.772 7.081 -3.567 1.00 0.00 O ATOM 923 CB LYS A 59 10.695 4.691 -4.693 1.00 0.00 C ATOM 924 CG LYS A 59 10.178 5.876 -5.519 1.00 0.00 C ATOM 925 CD LYS A 59 8.793 5.547 -6.073 1.00 0.00 C ATOM 926 CE LYS A 59 8.167 6.825 -6.641 1.00 0.00 C ATOM 927 NZ LYS A 59 7.843 7.780 -5.544 1.00 0.00 N ATOM 0 H LYS A 59 12.146 2.880 -3.810 1.00 0.00 H new ATOM 0 HA LYS A 59 12.716 5.226 -5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.575 3.761 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.117 4.590 -3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.130 6.771 -4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.866 6.091 -6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.869 4.787 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.161 5.135 -5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.855 7.292 -7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.262 6.578 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.811 7.858 -5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.251 7.435 -4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.241 8.714 -5.768 1.00 0.00 H new ATOM 941 N ALA A 60 11.774 5.693 -2.165 1.00 0.00 N ATOM 942 CA ALA A 60 11.815 6.679 -1.072 1.00 0.00 C ATOM 943 C ALA A 60 13.226 7.272 -0.954 1.00 0.00 C ATOM 944 O ALA A 60 13.400 8.363 -0.460 1.00 0.00 O ATOM 945 CB ALA A 60 11.425 5.961 0.250 1.00 0.00 C ATOM 0 H ALA A 60 11.344 4.798 -1.932 1.00 0.00 H new ATOM 0 HA ALA A 60 11.117 7.491 -1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.449 6.675 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.420 5.548 0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.131 5.155 0.448 1.00 0.00 H new ATOM 951 N ALA A 61 14.210 6.526 -1.405 1.00 0.00 N ATOM 952 CA ALA A 61 15.594 7.030 -1.324 1.00 0.00 C ATOM 953 C ALA A 61 15.840 8.088 -2.393 1.00 0.00 C ATOM 954 O ALA A 61 16.618 9.003 -2.202 1.00 0.00 O ATOM 955 CB ALA A 61 16.561 5.850 -1.538 1.00 0.00 C ATOM 0 H ALA A 61 14.103 5.600 -1.820 1.00 0.00 H new ATOM 0 HA ALA A 61 15.757 7.482 -0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.589 6.207 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.395 5.099 -0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.384 5.408 -2.519 1.00 0.00 H new ATOM 961 N LYS A 62 15.178 7.937 -3.500 1.00 0.00 N ATOM 962 CA LYS A 62 15.348 8.906 -4.586 1.00 0.00 C ATOM 963 C LYS A 62 14.691 10.223 -4.205 1.00 0.00 C ATOM 964 O LYS A 62 15.296 11.271 -4.310 1.00 0.00 O ATOM 965 CB LYS A 62 14.666 8.338 -5.847 1.00 0.00 C ATOM 966 CG LYS A 62 15.605 7.343 -6.535 1.00 0.00 C ATOM 967 CD LYS A 62 14.906 6.773 -7.770 1.00 0.00 C ATOM 968 CE LYS A 62 15.925 6.016 -8.625 1.00 0.00 C ATOM 969 NZ LYS A 62 16.939 6.953 -9.185 1.00 0.00 N ATOM 0 H LYS A 62 14.525 7.177 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 62 16.408 9.081 -4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.732 7.845 -5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.413 9.147 -6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.533 7.837 -6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.871 6.539 -5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.099 6.105 -7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.454 7.578 -8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.420 5.255 -8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.414 5.498 -9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.354 6.542 -10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.483 7.858 -9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.688 7.114 -8.482 1.00 0.00 H new ATOM 983 N LEU A 63 13.459 10.151 -3.772 1.00 0.00 N ATOM 984 CA LEU A 63 12.775 11.389 -3.388 1.00 0.00 C ATOM 985 C LEU A 63 13.434 11.982 -2.143 1.00 0.00 C ATOM 986 O LEU A 63 13.246 13.138 -1.832 1.00 0.00 O ATOM 987 CB LEU A 63 11.271 11.080 -3.136 1.00 0.00 C ATOM 988 CG LEU A 63 11.063 10.459 -1.727 1.00 0.00 C ATOM 989 CD1 LEU A 63 11.070 11.576 -0.611 1.00 0.00 C ATOM 990 CD2 LEU A 63 9.712 9.717 -1.711 1.00 0.00 C ATOM 0 H LEU A 63 12.915 9.294 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 63 12.852 12.124 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.687 11.996 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.904 10.393 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 63 11.879 9.767 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.923 11.115 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.027 12.098 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.266 12.286 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.551 9.275 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.908 10.420 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.720 8.930 -2.465 1.00 0.00 H new ATOM 1002 N LYS A 64 14.195 11.166 -1.439 1.00 0.00 N ATOM 1003 CA LYS A 64 14.871 11.680 -0.218 1.00 0.00 C ATOM 1004 C LYS A 64 15.936 12.668 -0.633 1.00 0.00 C ATOM 1005 O LYS A 64 16.103 13.705 -0.021 1.00 0.00 O ATOM 1006 CB LYS A 64 15.549 10.500 0.516 1.00 0.00 C ATOM 1007 CG LYS A 64 16.220 11.013 1.798 1.00 0.00 C ATOM 1008 CD LYS A 64 16.934 9.847 2.507 1.00 0.00 C ATOM 1009 CE LYS A 64 15.903 8.850 3.099 1.00 0.00 C ATOM 1010 NZ LYS A 64 15.686 7.712 2.161 1.00 0.00 N ATOM 0 H LYS A 64 14.369 10.186 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 64 14.144 12.160 0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.810 9.737 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.289 10.031 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.936 11.799 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.474 11.453 2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.584 9.329 1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.571 10.234 3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.259 8.476 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.959 9.361 3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.561 6.834 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.836 7.890 1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.510 7.617 1.534 1.00 0.00 H new ATOM 1024 N GLU A 65 16.648 12.324 -1.675 1.00 0.00 N ATOM 1025 CA GLU A 65 17.701 13.214 -2.156 1.00 0.00 C ATOM 1026 C GLU A 65 17.145 14.615 -2.327 1.00 0.00 C ATOM 1027 O GLU A 65 17.806 15.589 -2.042 1.00 0.00 O ATOM 1028 CB GLU A 65 18.173 12.684 -3.512 1.00 0.00 C ATOM 1029 CG GLU A 65 18.873 11.334 -3.310 1.00 0.00 C ATOM 1030 CD GLU A 65 18.979 10.608 -4.654 1.00 0.00 C ATOM 1031 OE1 GLU A 65 19.152 11.309 -5.636 1.00 0.00 O ATOM 1032 OE2 GLU A 65 18.882 9.392 -4.619 1.00 0.00 O ATOM 0 H GLU A 65 16.532 11.459 -2.203 1.00 0.00 H new ATOM 0 HA GLU A 65 18.527 13.248 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 65 17.325 12.570 -4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.856 13.395 -3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 65 19.866 11.487 -2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.314 10.725 -2.599 1.00 0.00 H new ATOM 1039 N LYS A 66 15.922 14.680 -2.796 1.00 0.00 N ATOM 1040 CA LYS A 66 15.285 16.003 -2.998 1.00 0.00 C ATOM 1041 C LYS A 66 15.089 16.694 -1.663 1.00 0.00 C ATOM 1042 O LYS A 66 15.341 17.871 -1.518 1.00 0.00 O ATOM 1043 CB LYS A 66 13.902 15.792 -3.659 1.00 0.00 C ATOM 1044 CG LYS A 66 13.175 17.168 -3.839 1.00 0.00 C ATOM 1045 CD LYS A 66 12.117 17.369 -2.728 1.00 0.00 C ATOM 1046 CE LYS A 66 11.466 18.743 -2.903 1.00 0.00 C ATOM 1047 NZ LYS A 66 10.201 18.822 -2.125 1.00 0.00 N ATOM 0 H LYS A 66 15.347 13.875 -3.044 1.00 0.00 H new ATOM 0 HA LYS A 66 15.923 16.619 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.024 15.307 -4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.294 15.128 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.903 17.978 -3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.696 17.208 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.362 16.585 -2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.584 17.296 -1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.153 19.522 -2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.263 18.924 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.772 19.760 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.542 18.091 -2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.404 18.670 -1.116 1.00 0.00 H new ATOM 1061 N TYR A 67 14.623 15.945 -0.721 1.00 0.00 N ATOM 1062 CA TYR A 67 14.393 16.509 0.629 1.00 0.00 C ATOM 1063 C TYR A 67 15.704 16.964 1.222 1.00 0.00 C ATOM 1064 O TYR A 67 15.974 18.138 1.318 1.00 0.00 O ATOM 1065 CB TYR A 67 13.807 15.389 1.514 1.00 0.00 C ATOM 1066 CG TYR A 67 13.657 15.868 2.964 1.00 0.00 C ATOM 1067 CD1 TYR A 67 12.682 16.774 3.295 1.00 0.00 C ATOM 1068 CD2 TYR A 67 14.437 15.332 3.978 1.00 0.00 C ATOM 1069 CE1 TYR A 67 12.480 17.127 4.611 1.00 0.00 C ATOM 1070 CE2 TYR A 67 14.226 15.695 5.292 1.00 0.00 C ATOM 1071 CZ TYR A 67 13.254 16.597 5.611 1.00 0.00 C ATOM 1072 OH TYR A 67 13.100 17.022 6.909 1.00 0.00 O ATOM 0 H TYR A 67 14.388 14.958 -0.825 1.00 0.00 H new ATOM 0 HA TYR A 67 13.713 17.359 0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.836 15.081 1.125 1.00 0.00 H new ATOM 0 HB3 TYR A 67 14.456 14.514 1.480 1.00 0.00 H new ATOM 0 HD1 TYR A 67 12.070 17.212 2.521 1.00 0.00 H new ATOM 0 HD2 TYR A 67 15.216 14.624 3.737 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.700 17.832 4.859 1.00 0.00 H new ATOM 0 HE2 TYR A 67 14.834 15.262 6.073 1.00 0.00 H new ATOM 0 HH TYR A 67 13.728 16.541 7.487 1.00 0.00 H new ATOM 1082 N GLU A 68 16.517 16.023 1.566 1.00 0.00 N ATOM 1083 CA GLU A 68 17.809 16.358 2.153 1.00 0.00 C ATOM 1084 C GLU A 68 18.597 17.350 1.302 1.00 0.00 C ATOM 1085 O GLU A 68 19.653 17.808 1.693 1.00 0.00 O ATOM 1086 CB GLU A 68 18.601 15.067 2.273 1.00 0.00 C ATOM 1087 CG GLU A 68 17.970 14.166 3.363 1.00 0.00 C ATOM 1088 CD GLU A 68 19.015 13.165 3.871 1.00 0.00 C ATOM 1089 OE1 GLU A 68 19.732 12.654 3.025 1.00 0.00 O ATOM 1090 OE2 GLU A 68 19.036 12.971 5.075 1.00 0.00 O ATOM 0 H GLU A 68 16.332 15.025 1.461 1.00 0.00 H new ATOM 0 HA GLU A 68 17.642 16.830 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.610 14.545 1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.638 15.288 2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.606 14.777 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.110 13.634 2.956 1.00 0.00 H new ATOM 1097 N LYS A 69 18.078 17.654 0.167 1.00 0.00 N ATOM 1098 CA LYS A 69 18.777 18.613 -0.730 1.00 0.00 C ATOM 1099 C LYS A 69 18.983 19.972 -0.052 1.00 0.00 C ATOM 1100 O LYS A 69 20.060 20.533 -0.091 1.00 0.00 O ATOM 1101 CB LYS A 69 17.903 18.826 -1.984 1.00 0.00 C ATOM 1102 CG LYS A 69 18.732 19.512 -3.091 1.00 0.00 C ATOM 1103 CD LYS A 69 19.745 18.509 -3.704 1.00 0.00 C ATOM 1104 CE LYS A 69 20.103 18.950 -5.130 1.00 0.00 C ATOM 1105 NZ LYS A 69 21.041 17.974 -5.755 1.00 0.00 N ATOM 0 H LYS A 69 17.197 17.285 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 69 19.754 18.201 -0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.525 17.868 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.036 19.438 -1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.069 19.891 -3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 69 19.263 20.370 -2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 69 20.644 18.463 -3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 69 19.317 17.507 -3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 69 19.197 19.030 -5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 69 20.559 19.940 -5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 21.274 18.285 -6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 21.912 17.918 -5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 20.592 17.037 -5.793 1.00 0.00 H new ATOM 1119 N ASP A 70 17.932 20.474 0.556 1.00 0.00 N ATOM 1120 CA ASP A 70 18.015 21.795 1.249 1.00 0.00 C ATOM 1121 C ASP A 70 17.978 21.633 2.766 1.00 0.00 C ATOM 1122 O ASP A 70 18.488 22.462 3.494 1.00 0.00 O ATOM 1123 CB ASP A 70 16.779 22.592 0.811 1.00 0.00 C ATOM 1124 CG ASP A 70 17.007 23.165 -0.592 1.00 0.00 C ATOM 1125 OD1 ASP A 70 18.117 23.614 -0.822 1.00 0.00 O ATOM 1126 OD2 ASP A 70 16.056 23.117 -1.355 1.00 0.00 O ATOM 0 H ASP A 70 17.019 20.022 0.600 1.00 0.00 H new ATOM 0 HA ASP A 70 18.950 22.292 0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 70 15.899 21.948 0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.585 23.399 1.517 1.00 0.00 H new ATOM 1131 N ILE A 71 17.374 20.578 3.211 1.00 0.00 N ATOM 1132 CA ILE A 71 17.292 20.347 4.644 1.00 0.00 C ATOM 1133 C ILE A 71 18.705 20.222 5.184 1.00 0.00 C ATOM 1134 O ILE A 71 18.948 20.330 6.360 1.00 0.00 O ATOM 1135 CB ILE A 71 16.565 19.019 4.874 1.00 0.00 C ATOM 1136 CG1 ILE A 71 15.184 18.892 4.115 1.00 0.00 C ATOM 1137 CG2 ILE A 71 16.288 18.839 6.373 1.00 0.00 C ATOM 1138 CD1 ILE A 71 14.799 20.113 3.237 1.00 0.00 C ATOM 0 H ILE A 71 16.933 19.867 2.628 1.00 0.00 H new ATOM 0 HA ILE A 71 16.764 21.162 5.139 1.00 0.00 H new ATOM 0 HB ILE A 71 17.229 18.251 4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 71 15.215 18.005 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 71 14.396 18.731 4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.771 17.894 6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 71 17.231 18.836 6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 71 15.665 19.660 6.729 1.00 0.00 H new ATOM 0 HD11 ILE A 71 13.837 19.929 2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 71 14.729 21.003 3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 71 15.561 20.266 2.472 1.00 0.00 H new ATOM 1150 N ALA A 72 19.620 19.953 4.287 1.00 0.00 N ATOM 1151 CA ALA A 72 21.040 19.811 4.705 1.00 0.00 C ATOM 1152 C ALA A 72 21.393 20.916 5.682 1.00 0.00 C ATOM 1153 O ALA A 72 21.843 20.664 6.782 1.00 0.00 O ATOM 1154 CB ALA A 72 21.929 19.937 3.459 1.00 0.00 C ATOM 0 H ALA A 72 19.443 19.827 3.290 1.00 0.00 H new ATOM 0 HA ALA A 72 21.193 18.844 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 72 22.975 19.835 3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 72 21.671 19.153 2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.773 20.912 2.998 1.00 0.00 H new ATOM 1160 N ALA A 73 21.177 22.127 5.257 1.00 0.00 N ATOM 1161 CA ALA A 73 21.480 23.264 6.131 1.00 0.00 C ATOM 1162 C ALA A 73 20.686 23.108 7.422 1.00 0.00 C ATOM 1163 O ALA A 73 21.066 23.593 8.468 1.00 0.00 O ATOM 1164 CB ALA A 73 21.030 24.544 5.406 1.00 0.00 C ATOM 0 H ALA A 73 20.803 22.368 4.339 1.00 0.00 H new ATOM 0 HA ALA A 73 22.544 23.312 6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 73 21.242 25.411 6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 73 21.569 24.637 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 73 19.959 24.493 5.208 1.00 0.00 H new ATOM 1170 N TYR A 74 19.584 22.417 7.295 1.00 0.00 N ATOM 1171 CA TYR A 74 18.687 22.163 8.448 1.00 0.00 C ATOM 1172 C TYR A 74 18.979 20.791 9.047 1.00 0.00 C ATOM 1173 O TYR A 74 20.117 20.396 9.175 1.00 0.00 O ATOM 1174 CB TYR A 74 17.245 22.142 7.894 1.00 0.00 C ATOM 1175 CG TYR A 74 16.185 22.179 8.990 1.00 0.00 C ATOM 1176 CD1 TYR A 74 16.486 22.207 10.359 1.00 0.00 C ATOM 1177 CD2 TYR A 74 14.888 22.203 8.598 1.00 0.00 C ATOM 1178 CE1 TYR A 74 15.467 22.276 11.286 1.00 0.00 C ATOM 1179 CE2 TYR A 74 13.868 22.270 9.529 1.00 0.00 C ATOM 1180 CZ TYR A 74 14.150 22.307 10.876 1.00 0.00 C ATOM 1181 OH TYR A 74 13.127 22.385 11.802 1.00 0.00 O ATOM 0 H TYR A 74 19.265 22.010 6.416 1.00 0.00 H new ATOM 0 HA TYR A 74 18.828 22.926 9.213 1.00 0.00 H new ATOM 0 HB2 TYR A 74 17.104 22.995 7.231 1.00 0.00 H new ATOM 0 HB3 TYR A 74 17.106 21.244 7.292 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.514 22.175 10.687 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.648 22.169 7.546 1.00 0.00 H new ATOM 0 HE1 TYR A 74 15.702 22.306 12.340 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.841 22.294 9.197 1.00 0.00 H new ATOM 0 HH TYR A 74 13.257 23.175 12.368 1.00 0.00 H new ATOM 1191 N ARG A 75 17.923 20.103 9.418 1.00 0.00 N ATOM 1192 CA ARG A 75 18.082 18.764 10.002 1.00 0.00 C ATOM 1193 C ARG A 75 18.859 17.923 9.023 1.00 0.00 C ATOM 1194 O ARG A 75 18.293 17.227 8.203 1.00 0.00 O ATOM 1195 CB ARG A 75 16.682 18.143 10.196 1.00 0.00 C ATOM 1196 CG ARG A 75 16.003 18.764 11.436 1.00 0.00 C ATOM 1197 CD ARG A 75 14.472 18.613 11.324 1.00 0.00 C ATOM 1198 NE ARG A 75 13.880 18.628 12.705 1.00 0.00 N ATOM 1199 CZ ARG A 75 13.536 17.498 13.281 1.00 0.00 C ATOM 1200 NH1 ARG A 75 14.066 16.384 12.855 1.00 0.00 N ATOM 1201 NH2 ARG A 75 12.666 17.525 14.254 1.00 0.00 N ATOM 0 H ARG A 75 16.960 20.427 9.334 1.00 0.00 H new ATOM 0 HA ARG A 75 18.601 18.815 10.959 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.071 18.316 9.310 1.00 0.00 H new ATOM 0 HB3 ARG A 75 16.767 17.063 10.319 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.361 18.274 12.342 1.00 0.00 H new ATOM 0 HG3 ARG A 75 16.269 19.818 11.518 1.00 0.00 H new ATOM 0 HD2 ARG A 75 14.056 19.424 10.726 1.00 0.00 H new ATOM 0 HD3 ARG A 75 14.221 17.682 10.816 1.00 0.00 H new ATOM 0 HE ARG A 75 13.745 19.513 13.194 1.00 0.00 H new ATOM 0 HH11 ARG A 75 14.736 16.399 12.086 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.810 15.498 13.291 1.00 0.00 H new ATOM 0 HH21 ARG A 75 12.265 18.413 14.555 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.387 16.658 14.713 1.00 0.00 H new ATOM 1215 N ALA A 76 20.137 18.028 9.109 1.00 0.00 N ATOM 1216 CA ALA A 76 21.000 17.271 8.213 1.00 0.00 C ATOM 1217 C ALA A 76 21.032 15.787 8.569 1.00 0.00 C ATOM 1218 O ALA A 76 22.070 15.159 8.516 1.00 0.00 O ATOM 1219 CB ALA A 76 22.395 17.886 8.342 1.00 0.00 C ATOM 0 H ALA A 76 20.626 18.621 9.779 1.00 0.00 H new ATOM 0 HA ALA A 76 20.627 17.326 7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.088 17.356 7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.357 18.937 8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 76 22.735 17.804 9.375 1.00 0.00 H new ATOM 1225 N LYS A 77 19.870 15.265 8.913 1.00 0.00 N ATOM 1226 CA LYS A 77 19.744 13.815 9.287 1.00 0.00 C ATOM 1227 C LYS A 77 21.047 13.235 9.837 1.00 0.00 C ATOM 1228 O LYS A 77 21.338 13.545 10.979 1.00 0.00 O ATOM 1229 CB LYS A 77 19.341 13.032 8.025 1.00 0.00 C ATOM 1230 CG LYS A 77 18.931 11.614 8.422 1.00 0.00 C ATOM 1231 CD LYS A 77 18.347 10.901 7.204 1.00 0.00 C ATOM 1232 CE LYS A 77 17.778 9.551 7.638 1.00 0.00 C ATOM 1233 NZ LYS A 77 17.346 8.759 6.451 1.00 0.00 N ATOM 1234 OXT LYS A 77 21.680 12.512 9.083 1.00 0.00 O ATOM 0 H LYS A 77 18.996 15.790 8.950 1.00 0.00 H new ATOM 0 HA LYS A 77 18.995 13.730 10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.516 13.534 7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 77 20.173 12.999 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 77 19.794 11.066 8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 77 18.196 11.647 9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 77 17.565 11.510 6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 77 19.118 10.758 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 77 18.530 8.996 8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.932 9.705 8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.252 7.758 6.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.429 9.114 6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 18.055 8.852 5.695 1.00 0.00 H new TER 1248 LYS A 77