USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 440 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: A 42 ASN : amide:sc= -0.688 K(o=-0.68,f=-1.4) USER MOD Set 1.2: A 44 LYS NZ :NH3+ -172:sc= 0.00989 (180deg=0) USER MOD Set 2.1: A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 146:sc= -0.238 (180deg=-0.478) USER MOD Single : A 35 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.6!) USER MOD Single : A 37 TYR OH : rot -95:sc= 0.23 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.865 X(o=-0.86,f=-1) USER MOD Single : A 52 TYR OH : rot -25:sc= 1.12 USER MOD Single : A 55 MET CE :methyl -174:sc= 0 (180deg=-0.0636) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 3 6.134 -0.641 -0.747 1.00 0.00 N ATOM 34 CA ALA A 3 4.881 -1.357 -0.853 1.00 0.00 C ATOM 35 C ALA A 3 4.818 -1.959 -2.248 1.00 0.00 C ATOM 36 O ALA A 3 5.489 -1.524 -3.179 1.00 0.00 O ATOM 37 CB ALA A 3 3.777 -0.351 -0.608 1.00 0.00 C ATOM 0 HA ALA A 3 4.780 -2.166 -0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.810 -0.848 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.892 0.080 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.833 0.440 -1.355 1.00 0.00 H new ATOM 43 N ILE A 4 3.975 -3.003 -2.307 1.00 0.00 N ATOM 44 CA ILE A 4 3.862 -3.739 -3.539 1.00 0.00 C ATOM 45 C ILE A 4 2.424 -4.257 -3.691 1.00 0.00 C ATOM 46 O ILE A 4 1.962 -5.068 -2.898 1.00 0.00 O ATOM 47 CB ILE A 4 4.802 -4.962 -3.344 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.268 -4.592 -2.973 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.738 -5.953 -4.523 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.258 -5.768 -2.948 1.00 0.00 C ATOM 0 H ILE A 4 3.390 -3.333 -1.539 1.00 0.00 H new ATOM 0 HA ILE A 4 4.112 -3.134 -4.410 1.00 0.00 H new ATOM 0 HB ILE A 4 4.405 -5.475 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.629 -3.850 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.268 -4.118 -1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.414 -6.787 -4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.720 -6.327 -4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.035 -5.446 -5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.249 -5.403 -2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.930 -6.504 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.297 -6.232 -3.934 1.00 0.00 H new ATOM 62 N ALA A 5 1.757 -3.751 -4.743 1.00 0.00 N ATOM 63 CA ALA A 5 0.416 -4.247 -5.014 1.00 0.00 C ATOM 64 C ALA A 5 0.528 -5.717 -5.490 1.00 0.00 C ATOM 65 O ALA A 5 1.175 -5.979 -6.498 1.00 0.00 O ATOM 66 CB ALA A 5 -0.138 -3.378 -6.139 1.00 0.00 C ATOM 0 H ALA A 5 2.108 -3.038 -5.383 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.229 -4.208 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.148 -3.705 -6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.162 -2.337 -5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.500 -3.471 -7.018 1.00 0.00 H new ATOM 72 N LYS A 6 -0.162 -6.639 -4.786 1.00 0.00 N ATOM 73 CA LYS A 6 -0.107 -8.066 -5.151 1.00 0.00 C ATOM 74 C LYS A 6 -1.263 -8.521 -6.041 1.00 0.00 C ATOM 75 O LYS A 6 -1.162 -9.515 -6.748 1.00 0.00 O ATOM 76 CB LYS A 6 -0.108 -8.923 -3.885 1.00 0.00 C ATOM 77 CG LYS A 6 1.153 -8.704 -3.056 1.00 0.00 C ATOM 78 CD LYS A 6 1.788 -10.039 -2.643 1.00 0.00 C ATOM 79 CE LYS A 6 0.977 -10.779 -1.572 1.00 0.00 C ATOM 80 NZ LYS A 6 0.773 -12.188 -1.895 1.00 0.00 N ATOM 0 H LYS A 6 -0.750 -6.426 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 6 0.813 -8.193 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.985 -8.683 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.186 -9.975 -4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.872 -8.119 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.909 -8.124 -2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.886 -10.676 -3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.795 -9.856 -2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.491 -10.701 -0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.008 -10.293 -1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.220 -12.641 -1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.259 -12.267 -2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.695 -12.662 -1.980 1.00 0.00 H new ATOM 94 N TYR A 7 -2.356 -7.748 -5.939 1.00 0.00 N ATOM 95 CA TYR A 7 -3.545 -8.078 -6.743 1.00 0.00 C ATOM 96 C TYR A 7 -4.143 -6.754 -7.221 1.00 0.00 C ATOM 97 O TYR A 7 -3.824 -5.687 -6.714 1.00 0.00 O ATOM 98 CB TYR A 7 -4.616 -8.863 -5.932 1.00 0.00 C ATOM 99 CG TYR A 7 -4.126 -10.151 -5.324 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.295 -10.137 -4.214 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.485 -11.380 -5.863 1.00 0.00 C ATOM 102 CE1 TYR A 7 -2.784 -11.312 -3.679 1.00 0.00 C ATOM 103 CE2 TYR A 7 -4.013 -12.567 -5.323 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.160 -12.549 -4.216 1.00 0.00 C ATOM 105 OH TYR A 7 -2.696 -13.737 -3.666 1.00 0.00 O ATOM 0 H TYR A 7 -2.443 -6.928 -5.338 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.246 -8.720 -7.571 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.992 -8.221 -5.135 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.459 -9.084 -6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.040 -9.193 -3.756 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.144 -11.412 -6.718 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.096 -11.272 -2.848 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.306 -13.510 -5.760 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.062 -14.495 -4.168 1.00 0.00 H new ATOM 115 N ASP A 8 -5.012 -6.894 -8.246 1.00 0.00 N ATOM 116 CA ASP A 8 -5.668 -5.722 -8.839 1.00 0.00 C ATOM 117 C ASP A 8 -6.591 -5.073 -7.796 1.00 0.00 C ATOM 118 O ASP A 8 -7.073 -5.751 -6.908 1.00 0.00 O ATOM 119 CB ASP A 8 -6.410 -6.098 -10.137 1.00 0.00 C ATOM 120 CG ASP A 8 -7.253 -7.398 -10.093 1.00 0.00 C ATOM 121 OD1 ASP A 8 -7.880 -7.688 -9.074 1.00 0.00 O ATOM 122 OD2 ASP A 8 -7.264 -8.112 -11.095 1.00 0.00 O ATOM 0 H ASP A 8 -5.267 -7.787 -8.668 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.915 -4.987 -9.124 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.068 -5.272 -10.407 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.675 -6.194 -10.936 1.00 0.00 H new ATOM 127 N PHE A 9 -6.728 -3.734 -7.852 1.00 0.00 N ATOM 128 CA PHE A 9 -7.657 -3.108 -6.897 1.00 0.00 C ATOM 129 C PHE A 9 -8.365 -1.917 -7.568 1.00 0.00 C ATOM 130 O PHE A 9 -7.766 -1.139 -8.296 1.00 0.00 O ATOM 131 CB PHE A 9 -6.959 -2.758 -5.568 1.00 0.00 C ATOM 132 CG PHE A 9 -7.958 -2.581 -4.454 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.613 -3.720 -4.013 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.319 -1.338 -3.916 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.654 -3.637 -3.105 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.369 -1.252 -2.993 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.054 -2.406 -2.595 1.00 0.00 C ATOM 0 H PHE A 9 -6.247 -3.106 -8.496 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.432 -3.823 -6.621 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.255 -3.548 -5.306 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.380 -1.842 -5.689 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.306 -4.687 -4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.787 -0.446 -4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.161 -4.537 -2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.651 -0.292 -2.587 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.880 -2.342 -1.903 1.00 0.00 H new ATOM 147 N LYS A 10 -9.687 -1.872 -7.292 1.00 0.00 N ATOM 148 CA LYS A 10 -10.603 -0.844 -7.801 1.00 0.00 C ATOM 149 C LYS A 10 -11.326 -0.145 -6.627 1.00 0.00 C ATOM 150 O LYS A 10 -12.284 -0.689 -6.094 1.00 0.00 O ATOM 151 CB LYS A 10 -11.594 -1.509 -8.790 1.00 0.00 C ATOM 152 CG LYS A 10 -10.961 -1.722 -10.172 1.00 0.00 C ATOM 153 CD LYS A 10 -11.034 -0.448 -11.022 1.00 0.00 C ATOM 154 CE LYS A 10 -9.939 -0.372 -12.088 1.00 0.00 C ATOM 155 NZ LYS A 10 -8.763 0.333 -11.589 1.00 0.00 N ATOM 0 H LYS A 10 -10.148 -2.562 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.051 -0.071 -8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.921 -2.468 -8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.483 -0.885 -8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.920 -2.024 -10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.473 -2.535 -10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.009 -0.398 -11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.958 0.422 -10.369 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.658 -1.379 -12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.323 0.137 -12.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.038 0.369 -12.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.028 1.301 -11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.384 -0.168 -10.760 1.00 0.00 H new ATOM 169 N ALA A 11 -10.854 1.098 -6.287 1.00 0.00 N ATOM 170 CA ALA A 11 -11.463 1.849 -5.149 1.00 0.00 C ATOM 171 C ALA A 11 -12.999 1.880 -5.228 1.00 0.00 C ATOM 172 O ALA A 11 -13.603 1.810 -6.292 1.00 0.00 O ATOM 173 CB ALA A 11 -10.996 3.299 -4.927 1.00 0.00 C ATOM 0 H ALA A 11 -10.090 1.578 -6.762 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.099 1.268 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.519 3.722 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.922 3.311 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.216 3.892 -5.815 1.00 0.00 H new ATOM 179 N THR A 12 -13.554 1.999 -4.004 1.00 0.00 N ATOM 180 CA THR A 12 -14.999 2.004 -3.801 1.00 0.00 C ATOM 181 C THR A 12 -15.556 3.327 -3.269 1.00 0.00 C ATOM 182 O THR A 12 -16.754 3.581 -3.327 1.00 0.00 O ATOM 183 CB THR A 12 -15.322 0.907 -2.763 1.00 0.00 C ATOM 184 OG1 THR A 12 -15.086 1.238 -1.352 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.699 -0.427 -3.251 1.00 0.00 C ATOM 0 H THR A 12 -13.012 2.093 -3.145 1.00 0.00 H new ATOM 0 HA THR A 12 -15.460 1.838 -4.774 1.00 0.00 H new ATOM 0 HB THR A 12 -16.406 0.801 -2.727 1.00 0.00 H new ATOM 0 HG1 THR A 12 -15.327 0.471 -0.791 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.916 -1.215 -2.530 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.123 -0.694 -4.219 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.619 -0.311 -3.347 1.00 0.00 H new ATOM 193 N ALA A 13 -14.618 4.159 -2.788 1.00 0.00 N ATOM 194 CA ALA A 13 -15.011 5.433 -2.193 1.00 0.00 C ATOM 195 C ALA A 13 -13.901 6.464 -2.383 1.00 0.00 C ATOM 196 O ALA A 13 -12.769 6.174 -2.747 1.00 0.00 O ATOM 197 CB ALA A 13 -15.325 5.225 -0.699 1.00 0.00 C ATOM 0 H ALA A 13 -13.615 3.976 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.907 5.809 -2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.619 6.175 -0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.140 4.508 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.439 4.844 -0.191 1.00 0.00 H new ATOM 203 N ASP A 14 -14.359 7.694 -2.086 1.00 0.00 N ATOM 204 CA ASP A 14 -13.609 8.939 -2.184 1.00 0.00 C ATOM 205 C ASP A 14 -12.276 8.931 -1.400 1.00 0.00 C ATOM 206 O ASP A 14 -11.303 9.553 -1.807 1.00 0.00 O ATOM 207 CB ASP A 14 -14.571 10.015 -1.657 1.00 0.00 C ATOM 208 CG ASP A 14 -14.122 11.444 -2.013 1.00 0.00 C ATOM 209 OD1 ASP A 14 -13.306 12.015 -1.290 1.00 0.00 O ATOM 210 OD2 ASP A 14 -14.605 11.976 -3.012 1.00 0.00 O ATOM 0 H ASP A 14 -15.312 7.843 -1.755 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.296 9.118 -3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.565 9.839 -2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.652 9.924 -0.574 1.00 0.00 H new ATOM 215 N ASP A 15 -12.275 8.153 -0.293 1.00 0.00 N ATOM 216 CA ASP A 15 -11.091 8.100 0.567 1.00 0.00 C ATOM 217 C ASP A 15 -10.094 6.980 0.226 1.00 0.00 C ATOM 218 O ASP A 15 -9.014 6.913 0.794 1.00 0.00 O ATOM 219 CB ASP A 15 -11.618 7.922 1.999 1.00 0.00 C ATOM 220 CG ASP A 15 -12.418 6.631 2.307 1.00 0.00 C ATOM 221 OD1 ASP A 15 -12.517 5.753 1.453 1.00 0.00 O ATOM 222 OD2 ASP A 15 -12.939 6.525 3.417 1.00 0.00 O ATOM 0 H ASP A 15 -13.058 7.574 0.011 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.519 9.018 0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.767 7.962 2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.253 8.776 2.233 1.00 0.00 H new ATOM 227 N GLU A 16 -10.488 6.179 -0.775 1.00 0.00 N ATOM 228 CA GLU A 16 -9.704 5.037 -1.255 1.00 0.00 C ATOM 229 C GLU A 16 -9.138 5.385 -2.642 1.00 0.00 C ATOM 230 O GLU A 16 -9.697 6.192 -3.374 1.00 0.00 O ATOM 231 CB GLU A 16 -10.637 3.816 -1.422 1.00 0.00 C ATOM 232 CG GLU A 16 -10.861 3.047 -0.117 1.00 0.00 C ATOM 233 CD GLU A 16 -11.938 1.951 -0.262 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.770 1.054 -1.091 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.935 2.014 0.459 1.00 0.00 O ATOM 0 H GLU A 16 -11.367 6.309 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.905 4.814 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.599 4.152 -1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.213 3.141 -2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.923 2.592 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.158 3.744 0.667 1.00 0.00 H new ATOM 242 N LEU A 17 -8.023 4.683 -2.967 1.00 0.00 N ATOM 243 CA LEU A 17 -7.407 4.924 -4.289 1.00 0.00 C ATOM 244 C LEU A 17 -7.062 3.538 -4.892 1.00 0.00 C ATOM 245 O LEU A 17 -6.819 2.568 -4.188 1.00 0.00 O ATOM 246 CB LEU A 17 -6.177 5.877 -4.220 1.00 0.00 C ATOM 247 CG LEU A 17 -4.806 5.203 -4.000 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.132 5.216 -5.364 1.00 0.00 C ATOM 249 CD2 LEU A 17 -3.833 5.894 -3.050 1.00 0.00 C ATOM 0 H LEU A 17 -7.560 3.992 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.109 5.449 -4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.133 6.448 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.341 6.591 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.014 4.232 -3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.149 4.752 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.742 4.660 -6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.022 6.245 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.912 5.315 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.609 6.894 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.282 5.968 -2.060 1.00 0.00 H new ATOM 261 N SER A 18 -7.054 3.542 -6.236 1.00 0.00 N ATOM 262 CA SER A 18 -6.798 2.359 -7.058 1.00 0.00 C ATOM 263 C SER A 18 -5.290 2.053 -7.255 1.00 0.00 C ATOM 264 O SER A 18 -4.413 2.850 -6.953 1.00 0.00 O ATOM 265 CB SER A 18 -7.359 2.682 -8.467 1.00 0.00 C ATOM 266 OG SER A 18 -8.838 2.666 -8.641 1.00 0.00 O ATOM 0 H SER A 18 -7.229 4.384 -6.785 1.00 0.00 H new ATOM 0 HA SER A 18 -7.253 1.502 -6.562 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.998 3.669 -8.754 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.930 1.969 -9.171 1.00 0.00 H new ATOM 0 HG SER A 18 -9.061 2.887 -9.570 1.00 0.00 H new ATOM 272 N PHE A 19 -5.076 0.813 -7.765 1.00 0.00 N ATOM 273 CA PHE A 19 -3.757 0.291 -8.162 1.00 0.00 C ATOM 274 C PHE A 19 -3.985 -0.948 -9.041 1.00 0.00 C ATOM 275 O PHE A 19 -5.110 -1.365 -9.284 1.00 0.00 O ATOM 276 CB PHE A 19 -2.807 -0.035 -6.996 1.00 0.00 C ATOM 277 CG PHE A 19 -3.416 -0.895 -5.914 1.00 0.00 C ATOM 278 CD1 PHE A 19 -4.128 -0.322 -4.867 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.236 -2.272 -5.918 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.614 -1.108 -3.832 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.697 -3.049 -4.866 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.381 -2.474 -3.812 1.00 0.00 C ATOM 0 H PHE A 19 -5.831 0.143 -7.911 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.247 1.086 -8.706 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.926 -0.541 -7.392 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.465 0.899 -6.551 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.304 0.743 -4.859 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.732 -2.743 -6.749 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.180 -0.651 -3.034 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.520 -4.114 -4.871 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.728 -3.079 -2.987 1.00 0.00 H new ATOM 292 N LYS A 20 -2.845 -1.443 -9.568 1.00 0.00 N ATOM 293 CA LYS A 20 -2.826 -2.627 -10.415 1.00 0.00 C ATOM 294 C LYS A 20 -1.596 -3.483 -10.034 1.00 0.00 C ATOM 295 O LYS A 20 -0.468 -3.020 -10.107 1.00 0.00 O ATOM 296 CB LYS A 20 -2.929 -2.211 -11.891 1.00 0.00 C ATOM 297 CG LYS A 20 -1.635 -1.567 -12.332 1.00 0.00 C ATOM 298 CD LYS A 20 -1.723 -0.666 -13.575 1.00 0.00 C ATOM 299 CE LYS A 20 -0.803 0.557 -13.467 1.00 0.00 C ATOM 300 NZ LYS A 20 -0.964 1.458 -14.605 1.00 0.00 N ATOM 0 H LYS A 20 -1.926 -1.029 -9.413 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.692 -3.269 -10.255 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.142 -3.083 -12.510 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.757 -1.515 -12.025 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.246 -0.974 -11.504 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.908 -2.355 -12.529 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.456 -1.243 -14.460 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.752 -0.334 -13.710 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.020 1.095 -12.544 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.234 0.228 -13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.326 2.272 -14.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.733 0.952 -15.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.948 1.792 -14.647 1.00 0.00 H new ATOM 314 N ARG A 21 -1.914 -4.744 -9.658 1.00 0.00 N ATOM 315 CA ARG A 21 -1.034 -5.862 -9.229 1.00 0.00 C ATOM 316 C ARG A 21 0.475 -5.799 -9.605 1.00 0.00 C ATOM 317 O ARG A 21 1.024 -6.623 -10.323 1.00 0.00 O ATOM 318 CB ARG A 21 -1.626 -7.153 -9.781 1.00 0.00 C ATOM 319 CG ARG A 21 -1.533 -7.093 -11.300 1.00 0.00 C ATOM 320 CD ARG A 21 -0.706 -8.222 -11.939 1.00 0.00 C ATOM 321 NE ARG A 21 -1.401 -8.717 -13.123 1.00 0.00 N ATOM 322 CZ ARG A 21 -1.672 -10.015 -13.370 1.00 0.00 C ATOM 323 NH1 ARG A 21 -1.185 -10.990 -12.613 1.00 0.00 N ATOM 324 NH2 ARG A 21 -2.443 -10.324 -14.402 1.00 0.00 N ATOM 0 H ARG A 21 -2.891 -5.035 -9.646 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.020 -5.796 -8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.083 -8.017 -9.398 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.663 -7.264 -9.465 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.541 -7.121 -11.713 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.098 -6.136 -11.586 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.284 -7.855 -12.211 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.560 -9.031 -11.224 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.704 -8.031 -13.814 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.587 -10.768 -11.817 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.409 -11.962 -12.827 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.821 -9.585 -14.995 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.658 -11.300 -14.603 1.00 0.00 H new ATOM 338 N GLY A 22 1.097 -4.799 -9.020 1.00 0.00 N ATOM 339 CA GLY A 22 2.513 -4.551 -9.231 1.00 0.00 C ATOM 340 C GLY A 22 2.963 -3.125 -8.918 1.00 0.00 C ATOM 341 O GLY A 22 4.160 -2.880 -8.831 1.00 0.00 O ATOM 0 H GLY A 22 0.644 -4.138 -8.389 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.086 -5.242 -8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.757 -4.775 -10.269 1.00 0.00 H new ATOM 345 N ASP A 23 1.988 -2.194 -8.739 1.00 0.00 N ATOM 346 CA ASP A 23 2.374 -0.812 -8.444 1.00 0.00 C ATOM 347 C ASP A 23 3.389 -0.692 -7.285 1.00 0.00 C ATOM 348 O ASP A 23 3.377 -1.445 -6.318 1.00 0.00 O ATOM 349 CB ASP A 23 1.141 0.048 -8.126 1.00 0.00 C ATOM 350 CG ASP A 23 0.402 0.532 -9.400 1.00 0.00 C ATOM 351 OD1 ASP A 23 1.032 0.737 -10.439 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.807 0.717 -9.336 1.00 0.00 O ATOM 0 H ASP A 23 0.985 -2.372 -8.792 1.00 0.00 H new ATOM 0 HA ASP A 23 2.863 -0.446 -9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.452 -0.528 -7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.449 0.913 -7.539 1.00 0.00 H new ATOM 357 N ILE A 24 4.230 0.350 -7.456 1.00 0.00 N ATOM 358 CA ILE A 24 5.230 0.715 -6.456 1.00 0.00 C ATOM 359 C ILE A 24 4.517 1.836 -5.703 1.00 0.00 C ATOM 360 O ILE A 24 4.345 2.945 -6.192 1.00 0.00 O ATOM 361 CB ILE A 24 6.572 1.185 -7.064 1.00 0.00 C ATOM 362 CG1 ILE A 24 7.331 -0.013 -7.674 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.449 1.930 -6.031 1.00 0.00 C ATOM 364 CD1 ILE A 24 8.558 0.389 -8.510 1.00 0.00 C ATOM 0 H ILE A 24 4.228 0.948 -8.282 1.00 0.00 H new ATOM 0 HA ILE A 24 5.533 -0.126 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 24 6.345 1.897 -7.857 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.652 -0.675 -6.870 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.646 -0.583 -8.302 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.381 2.241 -6.502 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.916 2.808 -5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.669 1.266 -5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.038 -0.506 -8.905 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.242 1.026 -9.336 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.264 0.933 -7.882 1.00 0.00 H new ATOM 376 N LEU A 25 4.143 1.448 -4.474 1.00 0.00 N ATOM 377 CA LEU A 25 3.377 2.323 -3.596 1.00 0.00 C ATOM 378 C LEU A 25 4.230 2.843 -2.436 1.00 0.00 C ATOM 379 O LEU A 25 5.254 2.278 -2.058 1.00 0.00 O ATOM 380 CB LEU A 25 2.249 1.474 -2.998 1.00 0.00 C ATOM 381 CG LEU A 25 1.025 1.295 -3.908 1.00 0.00 C ATOM 382 CD1 LEU A 25 0.855 -0.159 -4.375 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.225 1.764 -3.165 1.00 0.00 C ATOM 0 H LEU A 25 4.361 0.536 -4.074 1.00 0.00 H new ATOM 0 HA LEU A 25 3.013 3.177 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.647 0.490 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.925 1.932 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 25 1.177 1.899 -4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.024 -0.235 -5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.739 -0.468 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.729 -0.807 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.098 1.639 -3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.353 1.172 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.117 2.816 -2.899 1.00 0.00 H new ATOM 395 N LYS A 26 3.708 3.987 -1.940 1.00 0.00 N ATOM 396 CA LYS A 26 4.287 4.657 -0.786 1.00 0.00 C ATOM 397 C LYS A 26 3.381 4.457 0.434 1.00 0.00 C ATOM 398 O LYS A 26 2.400 5.155 0.600 1.00 0.00 O ATOM 399 CB LYS A 26 4.584 6.136 -1.104 1.00 0.00 C ATOM 400 CG LYS A 26 6.094 6.457 -1.125 1.00 0.00 C ATOM 401 CD LYS A 26 6.506 7.644 -0.238 1.00 0.00 C ATOM 402 CE LYS A 26 6.012 7.531 1.213 1.00 0.00 C ATOM 403 NZ LYS A 26 6.154 6.193 1.776 1.00 0.00 N ATOM 0 H LYS A 26 2.889 4.454 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 26 5.251 4.211 -0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.151 6.388 -2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.094 6.767 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.645 5.573 -0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.394 6.666 -2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.593 7.726 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.118 8.564 -0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.565 8.237 1.832 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.963 7.824 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.369 6.264 2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.267 5.666 1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.927 5.693 1.292 1.00 0.00 H new ATOM 417 N VAL A 27 3.799 3.553 1.345 1.00 0.00 N ATOM 418 CA VAL A 27 2.937 3.347 2.512 1.00 0.00 C ATOM 419 C VAL A 27 3.327 4.428 3.548 1.00 0.00 C ATOM 420 O VAL A 27 4.427 4.450 4.087 1.00 0.00 O ATOM 421 CB VAL A 27 3.070 1.887 3.022 1.00 0.00 C ATOM 422 CG1 VAL A 27 2.811 1.715 4.530 1.00 0.00 C ATOM 423 CG2 VAL A 27 2.137 0.963 2.216 1.00 0.00 C ATOM 0 H VAL A 27 4.655 2.999 1.302 1.00 0.00 H new ATOM 0 HA VAL A 27 1.878 3.463 2.281 1.00 0.00 H new ATOM 0 HB VAL A 27 4.113 1.609 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.925 0.665 4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.526 2.315 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.798 2.043 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.236 -0.060 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.105 1.293 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.409 1.001 1.161 1.00 0.00 H new ATOM 433 N LEU A 28 2.343 5.329 3.757 1.00 0.00 N ATOM 434 CA LEU A 28 2.456 6.443 4.699 1.00 0.00 C ATOM 435 C LEU A 28 1.899 5.963 6.067 1.00 0.00 C ATOM 436 O LEU A 28 2.431 5.019 6.636 1.00 0.00 O ATOM 437 CB LEU A 28 1.785 7.710 4.103 1.00 0.00 C ATOM 438 CG LEU A 28 1.980 8.995 4.957 1.00 0.00 C ATOM 439 CD1 LEU A 28 3.039 9.957 4.386 1.00 0.00 C ATOM 440 CD2 LEU A 28 0.654 9.738 5.188 1.00 0.00 C ATOM 0 H LEU A 28 1.447 5.296 3.270 1.00 0.00 H new ATOM 0 HA LEU A 28 3.489 6.746 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.187 7.886 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.718 7.522 3.988 1.00 0.00 H new ATOM 0 HG LEU A 28 2.355 8.643 5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.123 10.831 5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.002 9.449 4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.743 10.272 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.836 10.629 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.228 10.029 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.043 9.084 5.711 1.00 0.00 H new ATOM 536 N ASN A 35 -6.155 -3.654 8.614 1.00 0.00 N ATOM 537 CA ASN A 35 -6.770 -4.135 7.382 1.00 0.00 C ATOM 538 C ASN A 35 -6.623 -3.150 6.201 1.00 0.00 C ATOM 539 O ASN A 35 -6.886 -3.526 5.070 1.00 0.00 O ATOM 540 CB ASN A 35 -8.264 -4.398 7.599 1.00 0.00 C ATOM 541 CG ASN A 35 -8.552 -5.827 8.068 1.00 0.00 C ATOM 542 OD1 ASN A 35 -7.786 -6.757 7.808 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.700 -5.957 8.736 1.00 0.00 N ATOM 0 HA ASN A 35 -6.241 -5.053 7.126 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.649 -3.694 8.336 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.800 -4.211 6.669 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.995 -6.875 9.069 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.282 -5.139 8.913 1.00 0.00 H new ATOM 550 N TRP A 36 -6.251 -1.889 6.514 1.00 0.00 N ATOM 551 CA TRP A 36 -6.091 -0.824 5.519 1.00 0.00 C ATOM 552 C TRP A 36 -4.797 -0.051 5.832 1.00 0.00 C ATOM 553 O TRP A 36 -4.279 -0.105 6.941 1.00 0.00 O ATOM 554 CB TRP A 36 -7.325 0.122 5.554 1.00 0.00 C ATOM 555 CG TRP A 36 -8.571 -0.639 5.129 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.365 -1.430 5.969 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.105 -0.791 3.794 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.304 -2.057 5.228 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.177 -1.700 3.894 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.780 -0.269 2.571 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.876 -2.060 2.784 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.497 -0.623 1.425 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.553 -1.530 1.531 1.00 0.00 C ATOM 0 H TRP A 36 -6.054 -1.588 7.469 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.022 -1.249 4.518 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.458 0.524 6.559 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.162 0.971 4.890 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.245 -1.524 7.038 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.005 -2.700 5.596 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.958 0.426 2.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.690 -2.764 2.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.237 -0.199 0.466 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.114 -1.819 0.655 1.00 0.00 H new ATOM 574 N TYR A 37 -4.266 0.579 4.761 1.00 0.00 N ATOM 575 CA TYR A 37 -3.075 1.429 4.856 1.00 0.00 C ATOM 576 C TYR A 37 -3.365 2.673 4.029 1.00 0.00 C ATOM 577 O TYR A 37 -4.083 2.617 3.041 1.00 0.00 O ATOM 578 CB TYR A 37 -1.812 0.824 4.204 1.00 0.00 C ATOM 579 CG TYR A 37 -1.330 -0.441 4.842 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.247 -0.558 6.215 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.942 -1.510 4.057 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.799 -1.713 6.826 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.488 -2.676 4.643 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.410 -2.811 6.024 1.00 0.00 C ATOM 585 OH TYR A 37 0.057 -4.070 6.420 1.00 0.00 O ATOM 0 H TYR A 37 -4.651 0.509 3.819 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.884 1.587 5.917 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.019 0.629 3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.011 1.562 4.240 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.541 0.279 6.830 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.994 -1.434 2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.746 -1.777 7.903 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.187 -3.501 4.014 1.00 0.00 H new ATOM 0 HH TYR A 37 1.037 -4.071 6.419 1.00 0.00 H new ATOM 595 N LYS A 38 -2.743 3.778 4.484 1.00 0.00 N ATOM 596 CA LYS A 38 -2.873 5.040 3.783 1.00 0.00 C ATOM 597 C LYS A 38 -1.591 5.081 2.958 1.00 0.00 C ATOM 598 O LYS A 38 -0.499 5.049 3.513 1.00 0.00 O ATOM 599 CB LYS A 38 -2.961 6.200 4.793 1.00 0.00 C ATOM 600 CG LYS A 38 -3.202 7.562 4.118 1.00 0.00 C ATOM 601 CD LYS A 38 -4.248 8.426 4.839 1.00 0.00 C ATOM 602 CE LYS A 38 -3.782 8.976 6.191 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.839 9.731 6.862 1.00 0.00 N ATOM 0 H LYS A 38 -2.159 3.809 5.320 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.769 5.133 3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.768 6.001 5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.037 6.244 5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.260 8.108 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.524 7.397 3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.521 9.261 4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.150 7.833 4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.463 8.152 6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.914 9.619 6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.486 10.087 7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.126 10.532 6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.658 9.111 7.026 1.00 0.00 H new ATOM 617 N ALA A 39 -1.777 5.157 1.625 1.00 0.00 N ATOM 618 CA ALA A 39 -0.606 5.101 0.767 1.00 0.00 C ATOM 619 C ALA A 39 -0.694 6.087 -0.382 1.00 0.00 C ATOM 620 O ALA A 39 -1.719 6.714 -0.615 1.00 0.00 O ATOM 621 CB ALA A 39 -0.484 3.664 0.248 1.00 0.00 C ATOM 0 H ALA A 39 -2.676 5.252 1.152 1.00 0.00 H new ATOM 0 HA ALA A 39 0.279 5.382 1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.387 3.585 -0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.372 2.981 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.381 3.403 -0.314 1.00 0.00 H new ATOM 627 N GLU A 40 0.457 6.158 -1.095 1.00 0.00 N ATOM 628 CA GLU A 40 0.554 7.096 -2.191 1.00 0.00 C ATOM 629 C GLU A 40 0.968 6.412 -3.502 1.00 0.00 C ATOM 630 O GLU A 40 1.820 5.536 -3.571 1.00 0.00 O ATOM 631 CB GLU A 40 1.524 8.196 -1.740 1.00 0.00 C ATOM 632 CG GLU A 40 1.823 9.251 -2.822 1.00 0.00 C ATOM 633 CD GLU A 40 2.643 10.440 -2.287 1.00 0.00 C ATOM 634 OE1 GLU A 40 3.525 10.230 -1.455 1.00 0.00 O ATOM 635 OE2 GLU A 40 2.391 11.567 -2.715 1.00 0.00 O ATOM 0 H GLU A 40 1.289 5.593 -0.925 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.417 7.535 -2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.109 8.696 -0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.461 7.734 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.366 8.780 -3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.883 9.620 -3.233 1.00 0.00 H new ATOM 642 N LEU A 41 0.290 6.985 -4.510 1.00 0.00 N ATOM 643 CA LEU A 41 0.353 6.656 -5.932 1.00 0.00 C ATOM 644 C LEU A 41 -0.116 7.758 -6.869 1.00 0.00 C ATOM 645 O LEU A 41 -1.246 8.207 -6.748 1.00 0.00 O ATOM 646 CB LEU A 41 -0.653 5.515 -6.225 1.00 0.00 C ATOM 647 CG LEU A 41 -0.148 4.080 -6.118 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.288 3.123 -5.772 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.357 3.720 -7.511 1.00 0.00 C ATOM 0 H LEU A 41 -0.364 7.747 -4.332 1.00 0.00 H new ATOM 0 HA LEU A 41 1.405 6.432 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.495 5.626 -5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.040 5.660 -7.234 1.00 0.00 H new ATOM 0 HG LEU A 41 0.615 4.000 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.901 2.106 -5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.728 3.411 -4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.050 3.168 -6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.736 2.698 -7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.461 3.801 -8.227 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.157 4.403 -7.796 1.00 0.00 H new ATOM 661 N ASN A 42 0.756 8.145 -7.835 1.00 0.00 N ATOM 662 CA ASN A 42 0.222 9.061 -8.853 1.00 0.00 C ATOM 663 C ASN A 42 -0.313 10.448 -8.426 1.00 0.00 C ATOM 664 O ASN A 42 -1.183 11.019 -9.072 1.00 0.00 O ATOM 665 CB ASN A 42 -0.662 8.123 -9.720 1.00 0.00 C ATOM 666 CG ASN A 42 -2.163 8.349 -9.890 1.00 0.00 C ATOM 667 OD1 ASN A 42 -2.668 9.177 -10.643 1.00 0.00 O ATOM 668 ND2 ASN A 42 -2.801 7.442 -9.129 1.00 0.00 N ATOM 0 H ASN A 42 1.733 7.868 -7.925 1.00 0.00 H new ATOM 0 HA ASN A 42 1.010 9.533 -9.440 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.230 8.121 -10.721 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.540 7.117 -9.318 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.820 7.393 -9.140 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.266 6.803 -8.540 1.00 0.00 H new ATOM 675 N GLY A 43 0.271 10.964 -7.323 1.00 0.00 N ATOM 676 CA GLY A 43 -0.168 12.267 -6.810 1.00 0.00 C ATOM 677 C GLY A 43 -1.591 12.206 -6.232 1.00 0.00 C ATOM 678 O GLY A 43 -2.317 13.188 -6.153 1.00 0.00 O ATOM 0 H GLY A 43 1.018 10.515 -6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.523 12.605 -6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.134 13.003 -7.613 1.00 0.00 H new ATOM 682 N LYS A 44 -1.914 10.951 -5.870 1.00 0.00 N ATOM 683 CA LYS A 44 -3.161 10.511 -5.293 1.00 0.00 C ATOM 684 C LYS A 44 -2.770 9.668 -4.076 1.00 0.00 C ATOM 685 O LYS A 44 -1.791 8.933 -4.087 1.00 0.00 O ATOM 686 CB LYS A 44 -3.952 9.731 -6.367 1.00 0.00 C ATOM 687 CG LYS A 44 -4.886 10.664 -7.154 1.00 0.00 C ATOM 688 CD LYS A 44 -5.229 10.141 -8.557 1.00 0.00 C ATOM 689 CE LYS A 44 -5.438 11.273 -9.567 1.00 0.00 C ATOM 690 NZ LYS A 44 -5.549 10.775 -10.935 1.00 0.00 N ATOM 0 H LYS A 44 -1.256 10.180 -5.988 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.816 11.320 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.258 9.244 -7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.536 8.943 -5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.809 10.803 -6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.417 11.644 -7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.427 9.490 -8.905 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.132 9.533 -8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.341 11.826 -9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.605 11.974 -9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.553 11.577 -11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.740 10.156 -11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.433 10.237 -11.038 1.00 0.00 H new ATOM 704 N ASP A 45 -3.593 9.830 -3.033 1.00 0.00 N ATOM 705 CA ASP A 45 -3.361 9.138 -1.777 1.00 0.00 C ATOM 706 C ASP A 45 -4.730 8.668 -1.244 1.00 0.00 C ATOM 707 O ASP A 45 -5.736 9.357 -1.364 1.00 0.00 O ATOM 708 CB ASP A 45 -2.655 10.077 -0.781 1.00 0.00 C ATOM 709 CG ASP A 45 -3.456 11.360 -0.473 1.00 0.00 C ATOM 710 OD1 ASP A 45 -3.367 12.316 -1.241 1.00 0.00 O ATOM 711 OD2 ASP A 45 -4.154 11.388 0.542 1.00 0.00 O ATOM 0 H ASP A 45 -4.417 10.431 -3.041 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.710 8.275 -1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.475 9.538 0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.680 10.354 -1.183 1.00 0.00 H new ATOM 716 N GLY A 46 -4.710 7.446 -0.681 1.00 0.00 N ATOM 717 CA GLY A 46 -5.960 6.893 -0.161 1.00 0.00 C ATOM 718 C GLY A 46 -5.750 5.541 0.500 1.00 0.00 C ATOM 719 O GLY A 46 -4.661 4.981 0.499 1.00 0.00 O ATOM 0 H GLY A 46 -3.886 6.854 -0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.391 7.587 0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.678 6.792 -0.975 1.00 0.00 H new ATOM 723 N PHE A 47 -6.881 5.046 1.046 1.00 0.00 N ATOM 724 CA PHE A 47 -6.882 3.758 1.709 1.00 0.00 C ATOM 725 C PHE A 47 -6.903 2.650 0.650 1.00 0.00 C ATOM 726 O PHE A 47 -7.552 2.732 -0.386 1.00 0.00 O ATOM 727 CB PHE A 47 -8.128 3.635 2.600 1.00 0.00 C ATOM 728 CG PHE A 47 -8.112 4.653 3.706 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.252 4.515 4.786 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.958 5.748 3.657 1.00 0.00 C ATOM 731 CE1 PHE A 47 -7.245 5.459 5.804 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.940 6.700 4.661 1.00 0.00 C ATOM 733 CZ PHE A 47 -8.089 6.558 5.745 1.00 0.00 C ATOM 0 H PHE A 47 -7.783 5.522 1.033 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.988 3.664 2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.025 3.767 1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.175 2.633 3.026 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.584 3.668 4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.639 5.860 2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.579 5.337 6.646 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.593 7.558 4.599 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.083 7.295 6.535 1.00 0.00 H new ATOM 743 N ILE A 48 -6.133 1.615 1.024 1.00 0.00 N ATOM 744 CA ILE A 48 -5.966 0.416 0.226 1.00 0.00 C ATOM 745 C ILE A 48 -5.916 -0.752 1.221 1.00 0.00 C ATOM 746 O ILE A 48 -5.392 -0.587 2.316 1.00 0.00 O ATOM 747 CB ILE A 48 -4.675 0.546 -0.600 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.456 0.925 0.267 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.870 1.555 -1.749 1.00 0.00 C ATOM 750 CD1 ILE A 48 -2.147 0.764 -0.495 1.00 0.00 C ATOM 0 H ILE A 48 -5.609 1.599 1.899 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.778 0.254 -0.483 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.463 -0.435 -1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.556 1.957 0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.436 0.299 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.947 1.635 -2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.674 1.214 -2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.126 2.531 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.314 1.041 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.034 -0.274 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.155 1.410 -1.373 1.00 0.00 H new ATOM 762 N PRO A 49 -6.412 -1.958 0.823 1.00 0.00 N ATOM 763 CA PRO A 49 -6.425 -3.076 1.761 1.00 0.00 C ATOM 764 C PRO A 49 -5.063 -3.752 1.946 1.00 0.00 C ATOM 765 O PRO A 49 -4.373 -4.050 0.976 1.00 0.00 O ATOM 766 CB PRO A 49 -7.450 -4.042 1.190 1.00 0.00 C ATOM 767 CG PRO A 49 -7.589 -3.699 -0.298 1.00 0.00 C ATOM 768 CD PRO A 49 -6.984 -2.312 -0.492 1.00 0.00 C ATOM 0 HA PRO A 49 -6.675 -2.729 2.764 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.126 -5.074 1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.407 -3.941 1.703 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.072 -4.435 -0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.636 -3.709 -0.600 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.217 -2.321 -1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.741 -1.591 -0.800 1.00 0.00 H new ATOM 776 N LYS A 50 -4.769 -4.076 3.234 1.00 0.00 N ATOM 777 CA LYS A 50 -3.465 -4.680 3.492 1.00 0.00 C ATOM 778 C LYS A 50 -3.359 -6.108 2.942 1.00 0.00 C ATOM 779 O LYS A 50 -2.298 -6.478 2.468 1.00 0.00 O ATOM 780 CB LYS A 50 -3.087 -4.634 4.965 1.00 0.00 C ATOM 781 CG LYS A 50 -4.070 -5.355 5.862 1.00 0.00 C ATOM 782 CD LYS A 50 -3.588 -6.698 6.445 1.00 0.00 C ATOM 783 CE LYS A 50 -3.118 -6.566 7.904 1.00 0.00 C ATOM 784 NZ LYS A 50 -4.135 -6.881 8.908 1.00 0.00 N ATOM 0 H LYS A 50 -5.374 -3.937 4.043 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.743 -4.069 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.099 -5.076 5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.014 -3.593 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.330 -4.694 6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.985 -5.534 5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.397 -7.426 6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.771 -7.084 5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.262 -7.223 8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.770 -5.546 8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.731 -6.765 9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.945 -6.238 8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.453 -7.863 8.784 1.00 0.00 H new ATOM 798 N ASN A 51 -4.473 -6.880 2.947 1.00 0.00 N ATOM 799 CA ASN A 51 -4.343 -8.237 2.394 1.00 0.00 C ATOM 800 C ASN A 51 -4.143 -8.279 0.849 1.00 0.00 C ATOM 801 O ASN A 51 -3.794 -9.320 0.309 1.00 0.00 O ATOM 802 CB ASN A 51 -5.373 -9.225 2.960 1.00 0.00 C ATOM 803 CG ASN A 51 -6.837 -8.773 3.003 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.396 -8.566 4.069 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.433 -8.654 1.808 1.00 0.00 N ATOM 0 H ASN A 51 -5.393 -6.613 3.296 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.392 -8.617 2.766 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.321 -10.140 2.370 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.070 -9.482 3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.413 -8.375 1.752 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.907 -8.842 0.955 1.00 0.00 H new ATOM 812 N TYR A 52 -4.288 -7.106 0.181 1.00 0.00 N ATOM 813 CA TYR A 52 -4.049 -7.017 -1.272 1.00 0.00 C ATOM 814 C TYR A 52 -2.586 -6.596 -1.608 1.00 0.00 C ATOM 815 O TYR A 52 -2.184 -6.698 -2.760 1.00 0.00 O ATOM 816 CB TYR A 52 -5.006 -6.016 -1.930 1.00 0.00 C ATOM 817 CG TYR A 52 -6.294 -6.644 -2.397 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.184 -7.300 -1.559 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.610 -6.570 -3.742 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.360 -7.854 -2.059 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.750 -7.158 -4.259 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.669 -7.794 -3.423 1.00 0.00 C ATOM 823 OH TYR A 52 -9.849 -8.376 -3.910 1.00 0.00 O ATOM 0 H TYR A 52 -4.564 -6.228 0.620 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.226 -8.018 -1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.234 -5.221 -1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.507 -5.551 -2.780 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.962 -7.382 -0.505 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.947 -6.037 -4.408 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.047 -8.339 -1.381 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.931 -7.125 -5.323 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.136 -9.090 -3.303 1.00 0.00 H new ATOM 833 N ILE A 53 -1.830 -6.108 -0.585 1.00 0.00 N ATOM 834 CA ILE A 53 -0.419 -5.690 -0.814 1.00 0.00 C ATOM 835 C ILE A 53 0.504 -6.367 0.232 1.00 0.00 C ATOM 836 O ILE A 53 0.069 -6.952 1.212 1.00 0.00 O ATOM 837 CB ILE A 53 -0.233 -4.121 -0.857 1.00 0.00 C ATOM 838 CG1 ILE A 53 0.997 -3.550 -0.085 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.509 -3.353 -0.502 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.016 -2.073 0.201 1.00 0.00 C ATOM 0 H ILE A 53 -2.160 -5.997 0.374 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.128 -6.032 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.006 -3.946 -1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.071 -4.077 0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.894 -3.793 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.314 -2.282 -0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.297 -3.610 -1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.825 -3.619 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.928 -1.819 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.985 -1.520 -0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.149 -1.809 0.807 1.00 0.00 H new ATOM 852 N GLU A 54 1.813 -6.184 -0.054 1.00 0.00 N ATOM 853 CA GLU A 54 2.935 -6.632 0.763 1.00 0.00 C ATOM 854 C GLU A 54 3.732 -5.336 1.034 1.00 0.00 C ATOM 855 O GLU A 54 3.823 -4.461 0.183 1.00 0.00 O ATOM 856 CB GLU A 54 3.796 -7.631 -0.026 1.00 0.00 C ATOM 857 CG GLU A 54 4.866 -8.348 0.822 1.00 0.00 C ATOM 858 CD GLU A 54 4.337 -9.656 1.439 1.00 0.00 C ATOM 859 OE1 GLU A 54 3.710 -9.605 2.497 1.00 0.00 O ATOM 860 OE2 GLU A 54 4.567 -10.715 0.855 1.00 0.00 O ATOM 0 H GLU A 54 2.116 -5.699 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 54 2.623 -7.137 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.144 -8.379 -0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.289 -7.104 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.734 -8.566 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.203 -7.683 1.617 1.00 0.00 H new ATOM 867 N MET A 55 4.320 -5.259 2.238 1.00 0.00 N ATOM 868 CA MET A 55 5.027 -4.043 2.622 1.00 0.00 C ATOM 869 C MET A 55 6.477 -3.988 2.141 1.00 0.00 C ATOM 870 O MET A 55 6.783 -3.579 1.026 1.00 0.00 O ATOM 871 CB MET A 55 4.766 -3.727 4.123 1.00 0.00 C ATOM 872 CG MET A 55 3.273 -3.465 4.425 1.00 0.00 C ATOM 873 SD MET A 55 2.989 -2.501 5.926 1.00 0.00 S ATOM 874 CE MET A 55 3.870 -3.474 7.166 1.00 0.00 C ATOM 0 H MET A 55 4.318 -6.002 2.937 1.00 0.00 H new ATOM 0 HA MET A 55 4.607 -3.199 2.074 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.115 -4.561 4.732 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.350 -2.854 4.413 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.828 -2.942 3.579 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.757 -4.421 4.516 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.689 -3.053 8.155 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.515 -4.504 7.140 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.939 -3.453 6.953 1.00 0.00 H new ATOM 943 N PRO B 2 -8.354 -12.828 -6.436 1.00 0.00 N ATOM 944 CA PRO B 2 -7.872 -12.127 -5.264 1.00 0.00 C ATOM 945 C PRO B 2 -8.768 -12.298 -4.006 1.00 0.00 C ATOM 946 O PRO B 2 -9.952 -12.598 -4.097 1.00 0.00 O ATOM 947 CB PRO B 2 -7.790 -10.653 -5.664 1.00 0.00 C ATOM 948 CG PRO B 2 -8.021 -10.570 -7.171 1.00 0.00 C ATOM 949 CD PRO B 2 -8.535 -11.945 -7.600 1.00 0.00 C ATOM 0 HA PRO B 2 -6.908 -12.543 -4.970 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.539 -10.069 -5.129 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.816 -10.239 -5.402 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.745 -9.791 -7.412 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.098 -10.319 -7.693 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.584 -11.895 -7.893 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -7.981 -12.317 -8.462 1.00 0.00 H new ATOM 957 N PRO B 3 -8.119 -12.068 -2.824 1.00 0.00 N ATOM 958 CA PRO B 3 -8.778 -12.147 -1.510 1.00 0.00 C ATOM 959 C PRO B 3 -10.045 -11.281 -1.306 1.00 0.00 C ATOM 960 O PRO B 3 -10.269 -10.297 -1.995 1.00 0.00 O ATOM 961 CB PRO B 3 -7.716 -11.537 -0.557 1.00 0.00 C ATOM 962 CG PRO B 3 -6.360 -11.653 -1.251 1.00 0.00 C ATOM 963 CD PRO B 3 -6.674 -11.796 -2.738 1.00 0.00 C ATOM 0 HA PRO B 3 -9.099 -13.178 -1.360 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.948 -10.494 -0.340 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.706 -12.066 0.396 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.746 -10.772 -1.062 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.803 -12.515 -0.883 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.415 -10.887 -3.281 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.097 -12.607 -3.182 1.00 0.00 H new ATOM 971 N PRO B 4 -10.854 -11.664 -0.267 1.00 0.00 N ATOM 972 CA PRO B 4 -12.027 -10.871 0.134 1.00 0.00 C ATOM 973 C PRO B 4 -11.466 -9.638 0.841 1.00 0.00 C ATOM 974 O PRO B 4 -10.653 -9.745 1.752 1.00 0.00 O ATOM 975 CB PRO B 4 -12.790 -11.760 1.132 1.00 0.00 C ATOM 976 CG PRO B 4 -11.795 -12.836 1.592 1.00 0.00 C ATOM 977 CD PRO B 4 -10.676 -12.875 0.542 1.00 0.00 C ATOM 0 HA PRO B 4 -12.680 -10.569 -0.685 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.150 -11.175 1.978 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.663 -12.212 0.662 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.394 -12.597 2.577 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.284 -13.807 1.674 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.694 -12.890 1.015 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.747 -13.772 -0.073 1.00 0.00 H new ATOM 985 N VAL B 5 -11.936 -8.475 0.366 1.00 0.00 N ATOM 986 CA VAL B 5 -11.428 -7.246 0.943 1.00 0.00 C ATOM 987 C VAL B 5 -12.026 -7.072 2.346 1.00 0.00 C ATOM 988 O VAL B 5 -13.129 -7.538 2.614 1.00 0.00 O ATOM 989 CB VAL B 5 -11.732 -6.072 0.038 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.838 -4.861 0.336 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.529 -6.368 -1.424 1.00 0.00 C ATOM 0 H VAL B 5 -12.629 -8.370 -0.375 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.343 -7.294 1.038 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.782 -5.862 0.243 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.094 -4.045 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.991 -4.541 1.367 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.793 -5.136 0.192 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.766 -5.481 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.491 -6.651 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.183 -7.187 -1.724 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.232 -6.458 3.256 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.713 -6.233 4.605 1.00 0.00 C ATOM 1003 C PRO B 6 -12.862 -5.226 4.742 1.00 0.00 C ATOM 1004 O PRO B 6 -13.016 -4.318 3.939 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.514 -5.624 5.338 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.283 -5.791 4.458 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.804 -6.148 3.081 1.00 0.00 C ATOM 0 HA PRO B 6 -12.098 -7.179 4.987 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.692 -4.569 5.546 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.365 -6.118 6.298 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.697 -4.873 4.428 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.630 -6.574 4.844 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.667 -5.320 2.385 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.267 -7.003 2.670 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.630 -5.382 5.860 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.696 -4.428 6.170 1.00 0.00 C ATOM 1017 C PRO B 7 -14.024 -3.067 6.471 1.00 0.00 C ATOM 1018 O PRO B 7 -13.187 -2.964 7.360 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.381 -4.996 7.424 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.467 -6.106 7.967 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.486 -6.455 6.847 1.00 0.00 C ATOM 0 HA PRO B 7 -15.418 -4.285 5.366 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.527 -4.216 8.171 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.367 -5.392 7.180 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -13.935 -5.768 8.856 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -15.050 -6.980 8.257 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.464 -6.510 7.222 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.718 -7.426 6.409 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.447 -2.045 5.692 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.866 -0.706 5.821 1.00 0.00 C ATOM 1031 C ARG B 8 -14.858 0.260 6.511 1.00 0.00 C ATOM 1032 O ARG B 8 -15.614 0.991 5.891 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.289 -0.293 4.442 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.952 0.821 3.612 1.00 0.00 C ATOM 1035 CD ARG B 8 -15.361 0.491 3.086 1.00 0.00 C ATOM 1036 NE ARG B 8 -16.196 1.690 3.156 1.00 0.00 N ATOM 1037 CZ ARG B 8 -17.538 1.660 3.293 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -18.211 0.517 3.269 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -18.205 2.790 3.470 1.00 0.00 N ATOM 0 H ARG B 8 -15.175 -2.127 4.983 1.00 0.00 H new ATOM 0 HA ARG B 8 -13.014 -0.676 6.501 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.252 0.002 4.604 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -13.272 -1.188 3.821 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -14.010 1.722 4.222 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -13.309 1.052 2.763 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -15.303 0.133 2.058 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -15.804 -0.310 3.678 1.00 0.00 H new ATOM 0 HE ARG B 8 -15.738 2.600 3.098 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -17.714 -0.365 3.145 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -19.226 0.520 3.375 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -17.704 3.678 3.502 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -19.220 2.772 3.574 1.00 0.00 H new