USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 752 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 44 THR OG1 : rot 180:sc= -0.137 USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 14 ASN : amide:sc= -0.919 K(o=-7.9,f=-11!) USER MOD Set 3.2: A 16 HIS :FLIP no HD1:sc= -6.99! C(o=-11!,f=-7.9!) USER MOD Set 4.1: A 11 SER OG : rot -72:sc= -1.22 USER MOD Set 4.2: A 13 HIS : no HE2:sc= 0.00815 K(o=-1.2,f=-9.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0 (180deg=-0.00417) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -149:sc= 0.848 USER MOD Single : A 39 TYR OH : rot -172:sc= -1.44! USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= 0.00208 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 69 THR OG1 : rot -31:sc= 0.129 USER MOD Single : A 76 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.12) USER MOD Single : A 82 GLN : amide:sc= -0.0802 X(o=-0.08,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.978 11.254 -8.459 1.00 0.00 N ATOM 2 CA MET A 1 -9.393 9.905 -7.976 1.00 0.00 C ATOM 3 C MET A 1 -8.393 9.383 -6.939 1.00 0.00 C ATOM 4 O MET A 1 -7.511 10.095 -6.500 1.00 0.00 O ATOM 5 CB MET A 1 -9.384 9.019 -9.224 1.00 0.00 C ATOM 6 CG MET A 1 -10.783 8.443 -9.453 1.00 0.00 C ATOM 7 SD MET A 1 -10.656 6.684 -9.861 1.00 0.00 S ATOM 8 CE MET A 1 -11.688 6.720 -11.347 1.00 0.00 C ATOM 0 H1 MET A 1 -9.645 11.583 -9.186 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.977 11.923 -7.663 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.022 11.198 -8.866 1.00 0.00 H new ATOM 0 HA MET A 1 -10.370 9.921 -7.494 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.072 9.599 -10.092 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.662 8.211 -9.104 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.393 8.576 -8.559 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.280 8.979 -10.261 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.749 5.718 -11.772 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.689 7.065 -11.087 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.249 7.399 -12.078 1.00 0.00 H new ATOM 20 N VAL A 2 -8.523 8.145 -6.547 1.00 0.00 N ATOM 21 CA VAL A 2 -7.581 7.576 -5.538 1.00 0.00 C ATOM 22 C VAL A 2 -6.505 6.742 -6.241 1.00 0.00 C ATOM 23 O VAL A 2 -6.781 6.022 -7.180 1.00 0.00 O ATOM 24 CB VAL A 2 -8.452 6.694 -4.641 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.567 5.907 -3.671 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.414 7.578 -3.845 1.00 0.00 C ATOM 0 H VAL A 2 -9.241 7.502 -6.881 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.063 8.346 -4.967 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.017 5.997 -5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.192 5.281 -3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.878 5.278 -4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.999 6.601 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.037 6.953 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.844 8.274 -3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.048 8.137 -4.533 1.00 0.00 H new ATOM 36 N LYS A 3 -5.282 6.833 -5.796 1.00 0.00 N ATOM 37 CA LYS A 3 -4.196 6.042 -6.448 1.00 0.00 C ATOM 38 C LYS A 3 -3.231 5.487 -5.397 1.00 0.00 C ATOM 39 O LYS A 3 -2.773 6.199 -4.526 1.00 0.00 O ATOM 40 CB LYS A 3 -3.475 7.040 -7.354 1.00 0.00 C ATOM 41 CG LYS A 3 -4.333 7.323 -8.589 1.00 0.00 C ATOM 42 CD LYS A 3 -3.620 8.338 -9.484 1.00 0.00 C ATOM 43 CE LYS A 3 -2.326 7.724 -10.022 1.00 0.00 C ATOM 44 NZ LYS A 3 -1.746 8.768 -10.913 1.00 0.00 N ATOM 0 H LYS A 3 -4.987 7.417 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.587 5.188 -7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.283 7.966 -6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.507 6.640 -7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.512 6.400 -9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.307 7.709 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.268 8.628 -10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.398 9.244 -8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.642 7.472 -9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.524 6.803 -10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.855 8.420 -11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.416 8.983 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.562 9.631 -10.362 1.00 0.00 H new ATOM 58 N ILE A 4 -2.902 4.225 -5.479 1.00 0.00 N ATOM 59 CA ILE A 4 -1.953 3.645 -4.495 1.00 0.00 C ATOM 60 C ILE A 4 -0.560 3.561 -5.129 1.00 0.00 C ATOM 61 O ILE A 4 -0.391 3.044 -6.215 1.00 0.00 O ATOM 62 CB ILE A 4 -2.511 2.266 -4.140 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.774 2.443 -3.292 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.475 1.468 -3.343 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.394 1.076 -3.003 1.00 0.00 C ATOM 0 H ILE A 4 -3.250 3.575 -6.184 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.851 4.249 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.747 1.726 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.529 2.947 -2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.491 3.075 -3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.883 0.488 -3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.572 1.345 -3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.232 2.002 -2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.293 1.204 -2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.654 0.589 -3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.678 0.459 -2.461 1.00 0.00 H new ATOM 77 N ARG A 5 0.439 4.084 -4.468 1.00 0.00 N ATOM 78 CA ARG A 5 1.812 4.053 -5.045 1.00 0.00 C ATOM 79 C ARG A 5 2.861 4.018 -3.933 1.00 0.00 C ATOM 80 O ARG A 5 2.539 3.852 -2.779 1.00 0.00 O ATOM 81 CB ARG A 5 1.932 5.344 -5.855 1.00 0.00 C ATOM 82 CG ARG A 5 1.768 6.547 -4.924 1.00 0.00 C ATOM 83 CD ARG A 5 0.946 7.630 -5.627 1.00 0.00 C ATOM 84 NE ARG A 5 1.955 8.542 -6.240 1.00 0.00 N ATOM 85 CZ ARG A 5 1.596 9.696 -6.753 1.00 0.00 C ATOM 86 NH1 ARG A 5 0.344 10.079 -6.740 1.00 0.00 N ATOM 87 NH2 ARG A 5 2.500 10.473 -7.282 1.00 0.00 N ATOM 0 H ARG A 5 0.362 4.531 -3.554 1.00 0.00 H new ATOM 0 HA ARG A 5 1.977 3.168 -5.659 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.901 5.385 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.172 5.368 -6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.273 6.242 -4.002 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.746 6.941 -4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.291 7.199 -6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.309 8.163 -4.921 1.00 0.00 H new ATOM 0 HE ARG A 5 2.937 8.265 -6.261 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.369 9.478 -6.327 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.082 10.979 -7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.478 10.183 -7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.229 11.371 -7.683 1.00 0.00 H new ATOM 101 N LEU A 6 4.113 4.181 -4.268 1.00 0.00 N ATOM 102 CA LEU A 6 5.174 4.144 -3.219 1.00 0.00 C ATOM 103 C LEU A 6 5.398 5.537 -2.627 1.00 0.00 C ATOM 104 O LEU A 6 5.631 6.497 -3.335 1.00 0.00 O ATOM 105 CB LEU A 6 6.433 3.678 -3.952 1.00 0.00 C ATOM 106 CG LEU A 6 6.306 2.196 -4.300 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.383 2.030 -5.510 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.689 1.635 -4.636 1.00 0.00 C ATOM 0 H LEU A 6 4.447 4.338 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 6 4.905 3.488 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.575 4.264 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.311 3.841 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 6 5.888 1.658 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.294 0.972 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.398 2.432 -5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.800 2.567 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.602 0.577 -4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.104 2.175 -5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.348 1.752 -3.776 1.00 0.00 H new ATOM 120 N ALA A 7 5.320 5.652 -1.328 1.00 0.00 N ATOM 121 CA ALA A 7 5.517 6.977 -0.677 1.00 0.00 C ATOM 122 C ALA A 7 6.923 7.099 -0.094 1.00 0.00 C ATOM 123 O ALA A 7 7.230 6.525 0.930 1.00 0.00 O ATOM 124 CB ALA A 7 4.487 7.003 0.445 1.00 0.00 C ATOM 0 H ALA A 7 5.127 4.881 -0.688 1.00 0.00 H new ATOM 0 HA ALA A 7 5.401 7.799 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.559 7.948 0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.487 6.901 0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.677 6.179 1.133 1.00 0.00 H new ATOM 130 N ARG A 8 7.776 7.856 -0.724 1.00 0.00 N ATOM 131 CA ARG A 8 9.153 8.020 -0.188 1.00 0.00 C ATOM 132 C ARG A 8 9.100 8.712 1.173 1.00 0.00 C ATOM 133 O ARG A 8 8.522 9.770 1.325 1.00 0.00 O ATOM 134 CB ARG A 8 9.879 8.895 -1.210 1.00 0.00 C ATOM 135 CG ARG A 8 11.366 8.969 -0.859 1.00 0.00 C ATOM 136 CD ARG A 8 12.099 9.814 -1.905 1.00 0.00 C ATOM 137 NE ARG A 8 11.886 11.228 -1.480 1.00 0.00 N ATOM 138 CZ ARG A 8 12.559 12.207 -2.040 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.427 11.968 -2.993 1.00 0.00 N ATOM 140 NH2 ARG A 8 12.360 13.435 -1.645 1.00 0.00 N ATOM 0 H ARG A 8 7.579 8.367 -1.585 1.00 0.00 H new ATOM 0 HA ARG A 8 9.660 7.066 -0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.752 8.484 -2.211 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.447 9.896 -1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.495 9.406 0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.792 7.966 -0.823 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.160 9.568 -1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.700 9.638 -2.904 1.00 0.00 H new ATOM 0 HE ARG A 8 11.210 11.437 -0.746 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.587 11.011 -3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.942 12.739 -3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.685 13.630 -0.905 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.879 14.200 -2.076 1.00 0.00 H new ATOM 154 N PHE A 9 9.691 8.113 2.166 1.00 0.00 N ATOM 155 CA PHE A 9 9.672 8.719 3.528 1.00 0.00 C ATOM 156 C PHE A 9 11.010 9.389 3.855 1.00 0.00 C ATOM 157 O PHE A 9 11.133 10.598 3.867 1.00 0.00 O ATOM 158 CB PHE A 9 9.491 7.539 4.469 1.00 0.00 C ATOM 159 CG PHE A 9 8.096 6.999 4.430 1.00 0.00 C ATOM 160 CD1 PHE A 9 7.046 7.705 5.025 1.00 0.00 C ATOM 161 CD2 PHE A 9 7.862 5.754 3.843 1.00 0.00 C ATOM 162 CE1 PHE A 9 5.762 7.164 5.024 1.00 0.00 C ATOM 163 CE2 PHE A 9 6.587 5.212 3.853 1.00 0.00 C ATOM 164 CZ PHE A 9 5.539 5.915 4.442 1.00 0.00 C ATOM 0 H PHE A 9 10.189 7.226 2.095 1.00 0.00 H new ATOM 0 HA PHE A 9 8.892 9.476 3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.193 6.750 4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 9 9.732 7.847 5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 9 7.229 8.666 5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.675 5.213 3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.943 7.708 5.471 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.406 4.246 3.405 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.546 5.490 4.449 1.00 0.00 H new ATOM 174 N GLY A 10 12.002 8.592 4.162 1.00 0.00 N ATOM 175 CA GLY A 10 13.328 9.135 4.538 1.00 0.00 C ATOM 176 C GLY A 10 13.947 9.906 3.371 1.00 0.00 C ATOM 177 O GLY A 10 13.927 9.464 2.239 1.00 0.00 O ATOM 0 H GLY A 10 11.941 7.574 4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.226 9.793 5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.989 8.321 4.834 1.00 0.00 H new ATOM 181 N SER A 11 14.513 11.051 3.644 1.00 0.00 N ATOM 182 CA SER A 11 15.156 11.848 2.558 1.00 0.00 C ATOM 183 C SER A 11 16.321 11.054 1.969 1.00 0.00 C ATOM 184 O SER A 11 16.474 10.937 0.769 1.00 0.00 O ATOM 185 CB SER A 11 15.671 13.112 3.250 1.00 0.00 C ATOM 186 OG SER A 11 16.919 12.832 3.869 1.00 0.00 O ATOM 0 H SER A 11 14.558 11.470 4.573 1.00 0.00 H new ATOM 0 HA SER A 11 14.471 12.081 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.784 13.917 2.524 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.951 13.452 3.994 1.00 0.00 H new ATOM 0 HG SER A 11 16.774 12.264 4.654 1.00 0.00 H new ATOM 192 N LYS A 12 17.142 10.509 2.820 1.00 0.00 N ATOM 193 CA LYS A 12 18.310 9.715 2.354 1.00 0.00 C ATOM 194 C LYS A 12 18.921 8.965 3.537 1.00 0.00 C ATOM 195 O LYS A 12 20.100 9.064 3.810 1.00 0.00 O ATOM 196 CB LYS A 12 19.293 10.741 1.800 1.00 0.00 C ATOM 197 CG LYS A 12 19.599 11.800 2.862 1.00 0.00 C ATOM 198 CD LYS A 12 19.622 13.180 2.206 1.00 0.00 C ATOM 199 CE LYS A 12 20.123 14.219 3.211 1.00 0.00 C ATOM 200 NZ LYS A 12 20.741 15.291 2.381 1.00 0.00 N ATOM 0 H LYS A 12 17.052 10.581 3.833 1.00 0.00 H new ATOM 0 HA LYS A 12 18.041 8.972 1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.214 10.245 1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.875 11.215 0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.845 11.771 3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.560 11.592 3.333 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.269 13.166 1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.623 13.446 1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.305 14.610 3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.848 13.785 3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 21.109 16.041 3.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.521 14.891 1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.025 15.690 1.741 1.00 0.00 H new ATOM 214 N HIS A 13 18.118 8.227 4.249 1.00 0.00 N ATOM 215 CA HIS A 13 18.639 7.477 5.431 1.00 0.00 C ATOM 216 C HIS A 13 18.305 5.994 5.269 1.00 0.00 C ATOM 217 O HIS A 13 19.168 5.139 5.311 1.00 0.00 O ATOM 218 CB HIS A 13 17.912 8.057 6.657 1.00 0.00 C ATOM 219 CG HIS A 13 17.715 9.541 6.490 1.00 0.00 C ATOM 220 ND1 HIS A 13 18.747 10.448 6.656 1.00 0.00 N ATOM 221 CD2 HIS A 13 16.620 10.281 6.124 1.00 0.00 C ATOM 222 CE1 HIS A 13 18.256 11.669 6.387 1.00 0.00 C ATOM 223 NE2 HIS A 13 16.963 11.624 6.062 1.00 0.00 N ATOM 0 H HIS A 13 17.122 8.109 4.066 1.00 0.00 H new ATOM 0 HA HIS A 13 19.720 7.572 5.536 1.00 0.00 H new ATOM 0 HB2 HIS A 13 16.947 7.566 6.783 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.490 7.859 7.559 1.00 0.00 H new ATOM 0 HD1 HIS A 13 19.704 10.230 6.932 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.639 9.879 5.916 1.00 0.00 H new ATOM 0 HE1 HIS A 13 18.838 12.578 6.429 1.00 0.00 H new ATOM 231 N ASN A 14 17.052 5.692 5.064 1.00 0.00 N ATOM 232 CA ASN A 14 16.634 4.274 4.876 1.00 0.00 C ATOM 233 C ASN A 14 15.741 4.177 3.630 1.00 0.00 C ATOM 234 O ASN A 14 14.757 4.883 3.528 1.00 0.00 O ATOM 235 CB ASN A 14 15.844 3.919 6.136 1.00 0.00 C ATOM 236 CG ASN A 14 15.550 2.418 6.150 1.00 0.00 C ATOM 237 OD1 ASN A 14 16.337 1.628 5.667 1.00 0.00 O ATOM 238 ND2 ASN A 14 14.441 1.988 6.688 1.00 0.00 N ATOM 0 H ASN A 14 16.294 6.373 5.018 1.00 0.00 H new ATOM 0 HA ASN A 14 17.477 3.598 4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.412 4.197 7.024 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.912 4.483 6.164 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.235 0.989 6.703 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.780 2.651 7.093 1.00 0.00 H new ATOM 245 N PRO A 15 16.115 3.324 2.708 1.00 0.00 N ATOM 246 CA PRO A 15 15.331 3.173 1.458 1.00 0.00 C ATOM 247 C PRO A 15 14.021 2.416 1.705 1.00 0.00 C ATOM 248 O PRO A 15 14.001 1.205 1.787 1.00 0.00 O ATOM 249 CB PRO A 15 16.255 2.366 0.550 1.00 0.00 C ATOM 250 CG PRO A 15 17.156 1.616 1.476 1.00 0.00 C ATOM 251 CD PRO A 15 17.283 2.431 2.737 1.00 0.00 C ATOM 0 HA PRO A 15 15.040 4.133 1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.687 1.685 -0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.825 3.018 -0.112 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.746 0.630 1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 15 18.133 1.461 1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.278 1.797 3.623 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.215 2.995 2.754 1.00 0.00 H new ATOM 259 N HIS A 16 12.923 3.119 1.804 1.00 0.00 N ATOM 260 CA HIS A 16 11.619 2.426 2.021 1.00 0.00 C ATOM 261 C HIS A 16 10.446 3.359 1.727 1.00 0.00 C ATOM 262 O HIS A 16 10.346 4.443 2.262 1.00 0.00 O ATOM 263 CB HIS A 16 11.596 2.009 3.494 1.00 0.00 C ATOM 264 CG HIS A 16 11.658 3.227 4.372 1.00 0.00 C ATOM 265 ND1 HIS A 16 12.720 3.843 4.985 1.00 0.00 N flip ATOM 266 CD2 HIS A 16 10.528 3.974 4.717 1.00 0.00 C flip ATOM 267 CE1 HIS A 16 12.277 4.949 5.696 1.00 0.00 C flip ATOM 268 NE2 HIS A 16 10.957 4.990 5.505 1.00 0.00 N flip ATOM 0 H HIS A 16 12.873 4.136 1.744 1.00 0.00 H new ATOM 0 HA HIS A 16 11.522 1.569 1.355 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.689 1.443 3.706 1.00 0.00 H new ATOM 0 HB3 HIS A 16 12.439 1.352 3.708 1.00 0.00 H new ATOM 0 HD2 HIS A 16 9.510 3.779 4.414 1.00 0.00 H new ATOM 0 HE1 HIS A 16 12.875 5.633 6.281 1.00 0.00 H new ATOM 0 HE2 HIS A 16 10.344 5.701 5.904 1.00 0.00 H new ATOM 276 N TYR A 17 9.546 2.924 0.897 1.00 0.00 N ATOM 277 CA TYR A 17 8.355 3.740 0.579 1.00 0.00 C ATOM 278 C TYR A 17 7.130 2.969 1.044 1.00 0.00 C ATOM 279 O TYR A 17 7.183 1.767 1.193 1.00 0.00 O ATOM 280 CB TYR A 17 8.307 3.828 -0.941 1.00 0.00 C ATOM 281 CG TYR A 17 9.600 4.354 -1.498 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.746 3.555 -1.486 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.644 5.636 -2.049 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.939 4.040 -2.020 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.834 6.124 -2.586 1.00 0.00 C ATOM 286 CZ TYR A 17 11.986 5.328 -2.572 1.00 0.00 C ATOM 287 OH TYR A 17 13.166 5.808 -3.104 1.00 0.00 O ATOM 0 H TYR A 17 9.589 2.024 0.420 1.00 0.00 H new ATOM 0 HA TYR A 17 8.386 4.724 1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.103 2.842 -1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.487 4.478 -1.244 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.708 2.562 -1.063 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.756 6.250 -2.059 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.826 3.424 -2.008 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.868 7.116 -3.013 1.00 0.00 H new ATOM 0 HH TYR A 17 13.025 6.716 -3.446 1.00 0.00 H new ATOM 297 N ARG A 18 6.020 3.612 1.230 1.00 0.00 N ATOM 298 CA ARG A 18 4.818 2.842 1.621 1.00 0.00 C ATOM 299 C ARG A 18 3.921 2.720 0.405 1.00 0.00 C ATOM 300 O ARG A 18 3.981 3.529 -0.499 1.00 0.00 O ATOM 301 CB ARG A 18 4.122 3.646 2.713 1.00 0.00 C ATOM 302 CG ARG A 18 4.359 2.969 4.068 1.00 0.00 C ATOM 303 CD ARG A 18 3.022 2.781 4.790 1.00 0.00 C ATOM 304 NE ARG A 18 3.286 3.208 6.195 1.00 0.00 N ATOM 305 CZ ARG A 18 2.495 2.836 7.172 1.00 0.00 C ATOM 306 NH1 ARG A 18 1.441 2.092 6.942 1.00 0.00 N ATOM 307 NH2 ARG A 18 2.761 3.215 8.392 1.00 0.00 N ATOM 0 H ARG A 18 5.893 4.619 1.131 1.00 0.00 H new ATOM 0 HA ARG A 18 5.062 1.843 1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.506 4.666 2.731 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.053 3.711 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.844 2.004 3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.030 3.575 4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.237 3.385 4.334 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.691 1.743 4.747 1.00 0.00 H new ATOM 0 HE ARG A 18 4.093 3.798 6.398 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.225 1.793 5.991 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.836 1.812 7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.578 3.796 8.579 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.151 2.931 9.159 1.00 0.00 H new ATOM 321 N ILE A 19 3.052 1.768 0.394 1.00 0.00 N ATOM 322 CA ILE A 19 2.120 1.656 -0.738 1.00 0.00 C ATOM 323 C ILE A 19 0.877 2.321 -0.195 1.00 0.00 C ATOM 324 O ILE A 19 -0.033 1.695 0.312 1.00 0.00 O ATOM 325 CB ILE A 19 1.920 0.164 -1.042 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.119 -0.682 -0.571 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.784 -0.022 -2.551 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.881 -2.153 -0.918 1.00 0.00 C ATOM 0 H ILE A 19 2.946 1.061 1.122 1.00 0.00 H new ATOM 0 HA ILE A 19 2.441 2.113 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 19 1.026 -0.164 -0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.034 -0.330 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.255 -0.570 0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.642 -1.079 -2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.925 0.545 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.688 0.335 -3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.731 -2.748 -0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.976 -2.502 -0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.767 -2.258 -1.997 1.00 0.00 H new ATOM 340 N VAL A 20 0.924 3.619 -0.190 1.00 0.00 N ATOM 341 CA VAL A 20 -0.141 4.417 0.437 1.00 0.00 C ATOM 342 C VAL A 20 -1.164 4.906 -0.588 1.00 0.00 C ATOM 343 O VAL A 20 -0.954 4.847 -1.782 1.00 0.00 O ATOM 344 CB VAL A 20 0.666 5.558 1.103 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.692 6.833 0.250 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.076 5.874 2.468 1.00 0.00 C ATOM 0 H VAL A 20 1.677 4.167 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.756 3.867 1.149 1.00 0.00 H new ATOM 0 HB VAL A 20 1.694 5.210 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.271 7.602 0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.151 6.616 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.327 7.188 0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.647 6.677 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.962 6.186 2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.120 4.986 3.098 1.00 0.00 H new ATOM 356 N VAL A 21 -2.290 5.347 -0.108 1.00 0.00 N ATOM 357 CA VAL A 21 -3.374 5.797 -1.012 1.00 0.00 C ATOM 358 C VAL A 21 -3.510 7.316 -0.947 1.00 0.00 C ATOM 359 O VAL A 21 -4.018 7.862 0.012 1.00 0.00 O ATOM 360 CB VAL A 21 -4.663 5.125 -0.492 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.437 4.563 -1.677 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.366 3.969 0.474 1.00 0.00 C ATOM 0 H VAL A 21 -2.506 5.415 0.887 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.172 5.529 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.236 5.882 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.350 4.086 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.693 5.372 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.822 3.829 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.303 3.528 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.772 3.211 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.811 4.346 1.333 1.00 0.00 H new ATOM 372 N THR A 22 -3.060 8.005 -1.955 1.00 0.00 N ATOM 373 CA THR A 22 -3.165 9.492 -1.936 1.00 0.00 C ATOM 374 C THR A 22 -4.364 9.934 -2.778 1.00 0.00 C ATOM 375 O THR A 22 -4.765 9.262 -3.710 1.00 0.00 O ATOM 376 CB THR A 22 -1.857 10.030 -2.549 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.965 10.016 -3.965 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.649 9.180 -2.124 1.00 0.00 C ATOM 0 H THR A 22 -2.626 7.608 -2.788 1.00 0.00 H new ATOM 0 HA THR A 22 -3.308 9.871 -0.924 1.00 0.00 H new ATOM 0 HB THR A 22 -1.702 11.047 -2.189 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.136 10.359 -4.360 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.257 9.586 -2.573 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.555 9.198 -1.038 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.791 8.153 -2.459 1.00 0.00 H new ATOM 386 N ASP A 23 -4.941 11.060 -2.456 1.00 0.00 N ATOM 387 CA ASP A 23 -6.114 11.547 -3.236 1.00 0.00 C ATOM 388 C ASP A 23 -5.654 12.508 -4.334 1.00 0.00 C ATOM 389 O ASP A 23 -4.537 12.439 -4.807 1.00 0.00 O ATOM 390 CB ASP A 23 -6.993 12.274 -2.217 1.00 0.00 C ATOM 391 CG ASP A 23 -8.458 11.899 -2.448 1.00 0.00 C ATOM 392 OD1 ASP A 23 -9.033 12.394 -3.405 1.00 0.00 O ATOM 393 OD2 ASP A 23 -8.981 11.124 -1.665 1.00 0.00 O ATOM 0 H ASP A 23 -4.651 11.663 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.650 10.736 -3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.693 12.005 -1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.863 13.352 -2.312 1.00 0.00 H new ATOM 398 N ALA A 24 -6.508 13.408 -4.742 1.00 0.00 N ATOM 399 CA ALA A 24 -6.121 14.375 -5.809 1.00 0.00 C ATOM 400 C ALA A 24 -6.908 15.677 -5.647 1.00 0.00 C ATOM 401 O ALA A 24 -7.129 16.404 -6.595 1.00 0.00 O ATOM 402 CB ALA A 24 -6.489 13.683 -7.122 1.00 0.00 C ATOM 0 H ALA A 24 -7.457 13.515 -4.383 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.063 14.636 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.234 14.333 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.936 12.747 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.559 13.475 -7.136 1.00 0.00 H new ATOM 408 N ARG A 25 -7.335 15.972 -4.450 1.00 0.00 N ATOM 409 CA ARG A 25 -8.110 17.223 -4.216 1.00 0.00 C ATOM 410 C ARG A 25 -7.303 18.447 -4.660 1.00 0.00 C ATOM 411 O ARG A 25 -7.847 19.512 -4.874 1.00 0.00 O ATOM 412 CB ARG A 25 -8.350 17.259 -2.706 1.00 0.00 C ATOM 413 CG ARG A 25 -7.008 17.180 -1.973 1.00 0.00 C ATOM 414 CD ARG A 25 -7.187 17.642 -0.525 1.00 0.00 C ATOM 415 NE ARG A 25 -6.881 16.440 0.305 1.00 0.00 N ATOM 416 CZ ARG A 25 -7.168 16.416 1.586 1.00 0.00 C ATOM 417 NH1 ARG A 25 -7.723 17.447 2.172 1.00 0.00 N ATOM 418 NH2 ARG A 25 -6.895 15.350 2.287 1.00 0.00 N ATOM 0 H ARG A 25 -7.180 15.398 -3.621 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.042 17.241 -4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.873 18.175 -2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.988 16.427 -2.409 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.629 16.158 -1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.270 17.804 -2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.515 18.467 -0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.202 17.997 -0.347 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.443 15.627 -0.128 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.939 18.285 1.632 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.940 17.412 3.168 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.461 14.542 1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.115 15.324 3.283 1.00 0.00 H new ATOM 432 N ARG A 26 -6.012 18.308 -4.796 1.00 0.00 N ATOM 433 CA ARG A 26 -5.184 19.473 -5.222 1.00 0.00 C ATOM 434 C ARG A 26 -3.979 19.005 -6.043 1.00 0.00 C ATOM 435 O ARG A 26 -3.784 17.827 -6.263 1.00 0.00 O ATOM 436 CB ARG A 26 -4.724 20.125 -3.919 1.00 0.00 C ATOM 437 CG ARG A 26 -5.519 21.411 -3.683 1.00 0.00 C ATOM 438 CD ARG A 26 -4.782 22.591 -4.321 1.00 0.00 C ATOM 439 NE ARG A 26 -3.447 22.618 -3.654 1.00 0.00 N ATOM 440 CZ ARG A 26 -2.474 23.364 -4.125 1.00 0.00 C ATOM 441 NH1 ARG A 26 -2.641 24.085 -5.207 1.00 0.00 N ATOM 442 NH2 ARG A 26 -1.324 23.383 -3.511 1.00 0.00 N ATOM 0 H ARG A 26 -5.497 17.443 -4.632 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.742 20.165 -5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.868 19.438 -3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.658 20.348 -3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.517 21.318 -4.111 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.645 21.582 -2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.682 22.458 -5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.321 23.525 -4.163 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.288 22.050 -2.822 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.536 24.072 -5.696 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.876 24.659 -5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.185 22.821 -2.671 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.563 23.960 -3.871 1.00 0.00 H new ATOM 456 N LYS A 27 -3.172 19.925 -6.498 1.00 0.00 N ATOM 457 CA LYS A 27 -1.980 19.541 -7.308 1.00 0.00 C ATOM 458 C LYS A 27 -1.000 18.727 -6.455 1.00 0.00 C ATOM 459 O LYS A 27 -0.350 17.820 -6.934 1.00 0.00 O ATOM 460 CB LYS A 27 -1.349 20.866 -7.739 1.00 0.00 C ATOM 461 CG LYS A 27 -0.802 20.736 -9.163 1.00 0.00 C ATOM 462 CD LYS A 27 -1.429 21.810 -10.055 1.00 0.00 C ATOM 463 CE LYS A 27 -2.794 21.329 -10.555 1.00 0.00 C ATOM 464 NZ LYS A 27 -3.409 22.521 -11.203 1.00 0.00 N ATOM 0 H LYS A 27 -3.287 20.927 -6.344 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.244 18.920 -8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.090 21.664 -7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.546 21.138 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.283 20.842 -9.157 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.024 19.745 -9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.542 22.740 -9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.775 22.022 -10.901 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.688 20.506 -11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.410 20.965 -9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.349 22.270 -11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.504 23.286 -10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.804 22.841 -11.986 1.00 0.00 H new ATOM 478 N ARG A 28 -0.892 19.044 -5.193 1.00 0.00 N ATOM 479 CA ARG A 28 0.043 18.286 -4.311 1.00 0.00 C ATOM 480 C ARG A 28 -0.184 18.671 -2.846 1.00 0.00 C ATOM 481 O ARG A 28 -0.030 19.813 -2.462 1.00 0.00 O ATOM 482 CB ARG A 28 1.446 18.693 -4.767 1.00 0.00 C ATOM 483 CG ARG A 28 1.595 20.214 -4.693 1.00 0.00 C ATOM 484 CD ARG A 28 2.749 20.658 -5.594 1.00 0.00 C ATOM 485 NE ARG A 28 3.794 21.170 -4.661 1.00 0.00 N ATOM 486 CZ ARG A 28 5.038 21.312 -5.056 1.00 0.00 C ATOM 487 NH1 ARG A 28 5.395 21.012 -6.280 1.00 0.00 N ATOM 488 NH2 ARG A 28 5.932 21.762 -4.217 1.00 0.00 N ATOM 0 H ARG A 28 -1.410 19.794 -4.735 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.106 17.209 -4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.196 18.214 -4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.620 18.351 -5.787 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.669 20.696 -5.006 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.783 20.522 -3.665 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.126 19.827 -6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.429 21.432 -6.292 1.00 0.00 H new ATOM 0 HE ARG A 28 3.539 21.413 -3.704 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.702 20.662 -6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.366 21.128 -6.571 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.662 22.000 -3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.901 21.875 -4.516 1.00 0.00 H new ATOM 502 N ASP A 29 -0.552 17.724 -2.026 1.00 0.00 N ATOM 503 CA ASP A 29 -0.791 18.031 -0.586 1.00 0.00 C ATOM 504 C ASP A 29 0.339 17.459 0.275 1.00 0.00 C ATOM 505 O ASP A 29 0.554 17.882 1.393 1.00 0.00 O ATOM 506 CB ASP A 29 -2.116 17.345 -0.254 1.00 0.00 C ATOM 507 CG ASP A 29 -3.136 18.392 0.194 1.00 0.00 C ATOM 508 OD1 ASP A 29 -2.728 19.361 0.812 1.00 0.00 O ATOM 509 OD2 ASP A 29 -4.309 18.207 -0.089 1.00 0.00 O ATOM 0 H ASP A 29 -0.698 16.750 -2.291 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.824 19.103 -0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.489 16.809 -1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.968 16.606 0.534 1.00 0.00 H new ATOM 514 N GLY A 30 1.061 16.500 -0.237 1.00 0.00 N ATOM 515 CA GLY A 30 2.172 15.902 0.554 1.00 0.00 C ATOM 516 C GLY A 30 1.633 14.789 1.462 1.00 0.00 C ATOM 517 O GLY A 30 2.386 14.106 2.129 1.00 0.00 O ATOM 0 H GLY A 30 0.929 16.105 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.931 15.499 -0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.655 16.671 1.156 1.00 0.00 H new ATOM 521 N LYS A 31 0.340 14.598 1.500 1.00 0.00 N ATOM 522 CA LYS A 31 -0.229 13.530 2.371 1.00 0.00 C ATOM 523 C LYS A 31 -1.074 12.558 1.542 1.00 0.00 C ATOM 524 O LYS A 31 -1.029 12.560 0.329 1.00 0.00 O ATOM 525 CB LYS A 31 -1.102 14.275 3.380 1.00 0.00 C ATOM 526 CG LYS A 31 -0.785 13.785 4.793 1.00 0.00 C ATOM 527 CD LYS A 31 -2.048 13.858 5.655 1.00 0.00 C ATOM 528 CE LYS A 31 -2.240 12.531 6.390 1.00 0.00 C ATOM 529 NZ LYS A 31 -3.161 12.847 7.517 1.00 0.00 N ATOM 0 H LYS A 31 -0.344 15.134 0.967 1.00 0.00 H new ATOM 0 HA LYS A 31 0.545 12.936 2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.924 15.348 3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.156 14.111 3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.414 12.761 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.004 14.396 5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.965 14.675 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.916 14.069 5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.666 11.773 5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.290 12.140 6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.342 11.985 8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.726 13.566 8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.059 13.211 7.140 1.00 0.00 H new ATOM 543 N TYR A 32 -1.847 11.731 2.191 1.00 0.00 N ATOM 544 CA TYR A 32 -2.702 10.755 1.442 1.00 0.00 C ATOM 545 C TYR A 32 -3.958 10.432 2.246 1.00 0.00 C ATOM 546 O TYR A 32 -4.067 10.757 3.411 1.00 0.00 O ATOM 547 CB TYR A 32 -1.873 9.466 1.234 1.00 0.00 C ATOM 548 CG TYR A 32 -0.708 9.385 2.202 1.00 0.00 C ATOM 549 CD1 TYR A 32 -0.944 9.224 3.571 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.604 9.477 1.722 1.00 0.00 C ATOM 551 CE1 TYR A 32 0.134 9.154 4.463 1.00 0.00 C ATOM 552 CE2 TYR A 32 1.680 9.405 2.612 1.00 0.00 C ATOM 553 CZ TYR A 32 1.446 9.244 3.984 1.00 0.00 C ATOM 554 OH TYR A 32 2.508 9.176 4.862 1.00 0.00 O ATOM 0 H TYR A 32 -1.926 11.686 3.207 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.006 11.177 0.484 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.516 8.595 1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.499 9.435 0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.956 9.154 3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.785 9.604 0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.047 9.031 5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.692 9.474 2.242 1.00 0.00 H new ATOM 0 HH TYR A 32 3.349 9.254 4.365 1.00 0.00 H new ATOM 564 N ILE A 33 -4.905 9.786 1.629 1.00 0.00 N ATOM 565 CA ILE A 33 -6.158 9.427 2.348 1.00 0.00 C ATOM 566 C ILE A 33 -5.833 8.533 3.549 1.00 0.00 C ATOM 567 O ILE A 33 -6.263 8.782 4.657 1.00 0.00 O ATOM 568 CB ILE A 33 -6.989 8.667 1.317 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.261 9.574 0.114 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.313 8.244 1.945 1.00 0.00 C ATOM 571 CD1 ILE A 33 -6.989 8.804 -1.180 1.00 0.00 C ATOM 0 H ILE A 33 -4.866 9.490 0.654 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.686 10.298 2.736 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.443 7.782 0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.294 9.920 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.627 10.459 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.907 7.701 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.120 7.600 2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.860 9.129 2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.183 9.451 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.948 8.480 -1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.642 7.932 -1.229 1.00 0.00 H new ATOM 583 N GLU A 34 -5.069 7.497 3.333 1.00 0.00 N ATOM 584 CA GLU A 34 -4.708 6.587 4.457 1.00 0.00 C ATOM 585 C GLU A 34 -3.536 5.692 4.047 1.00 0.00 C ATOM 586 O GLU A 34 -3.014 5.803 2.956 1.00 0.00 O ATOM 587 CB GLU A 34 -5.962 5.753 4.714 1.00 0.00 C ATOM 588 CG GLU A 34 -6.768 6.382 5.853 1.00 0.00 C ATOM 589 CD GLU A 34 -8.104 6.893 5.310 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.704 6.191 4.514 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.502 7.978 5.700 1.00 0.00 O ATOM 0 H GLU A 34 -4.679 7.241 2.426 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.397 7.131 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.569 5.701 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.685 4.731 4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.940 5.648 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.207 7.203 6.300 1.00 0.00 H new ATOM 598 N LYS A 35 -3.116 4.809 4.910 1.00 0.00 N ATOM 599 CA LYS A 35 -1.974 3.915 4.562 1.00 0.00 C ATOM 600 C LYS A 35 -2.424 2.453 4.562 1.00 0.00 C ATOM 601 O LYS A 35 -2.969 1.962 5.531 1.00 0.00 O ATOM 602 CB LYS A 35 -0.939 4.157 5.660 1.00 0.00 C ATOM 603 CG LYS A 35 -0.397 5.583 5.543 1.00 0.00 C ATOM 604 CD LYS A 35 -0.104 6.133 6.940 1.00 0.00 C ATOM 605 CE LYS A 35 1.353 5.843 7.308 1.00 0.00 C ATOM 606 NZ LYS A 35 1.877 7.132 7.839 1.00 0.00 N ATOM 0 H LYS A 35 -3.512 4.667 5.839 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.575 4.122 3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.391 4.007 6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.124 3.438 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.511 5.590 4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.122 6.219 5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.290 7.207 6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.772 5.676 7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.422 5.051 8.054 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.922 5.513 6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.873 7.015 8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.804 7.865 7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.320 7.417 8.670 1.00 0.00 H new ATOM 620 N ILE A 36 -2.206 1.752 3.481 1.00 0.00 N ATOM 621 CA ILE A 36 -2.632 0.321 3.431 1.00 0.00 C ATOM 622 C ILE A 36 -1.455 -0.594 3.133 1.00 0.00 C ATOM 623 O ILE A 36 -1.400 -1.713 3.609 1.00 0.00 O ATOM 624 CB ILE A 36 -3.679 0.250 2.321 1.00 0.00 C ATOM 625 CG1 ILE A 36 -3.048 0.617 0.973 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.806 1.234 2.638 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.453 -0.630 0.324 1.00 0.00 C ATOM 0 H ILE A 36 -1.755 2.104 2.636 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.034 -0.012 4.388 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.072 -0.765 2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.799 1.056 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.272 1.369 1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.559 1.191 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.263 0.969 3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.401 2.244 2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.006 -0.364 -0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.688 -1.050 0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.239 -1.368 0.165 1.00 0.00 H new ATOM 639 N GLY A 37 -0.519 -0.151 2.352 1.00 0.00 N ATOM 640 CA GLY A 37 0.627 -1.027 2.044 1.00 0.00 C ATOM 641 C GLY A 37 1.932 -0.400 2.510 1.00 0.00 C ATOM 642 O GLY A 37 2.035 0.795 2.708 1.00 0.00 O ATOM 0 H GLY A 37 -0.500 0.772 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.491 -1.994 2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.671 -1.211 0.971 1.00 0.00 H new ATOM 646 N TYR A 38 2.944 -1.205 2.641 1.00 0.00 N ATOM 647 CA TYR A 38 4.286 -0.695 3.043 1.00 0.00 C ATOM 648 C TYR A 38 5.327 -1.319 2.113 1.00 0.00 C ATOM 649 O TYR A 38 5.184 -2.452 1.700 1.00 0.00 O ATOM 650 CB TYR A 38 4.490 -1.171 4.480 1.00 0.00 C ATOM 651 CG TYR A 38 5.816 -0.662 4.999 1.00 0.00 C ATOM 652 CD1 TYR A 38 5.898 0.604 5.592 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.962 -1.458 4.889 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.126 1.073 6.075 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.190 -0.990 5.372 1.00 0.00 C ATOM 656 CZ TYR A 38 8.272 0.276 5.965 1.00 0.00 C ATOM 657 OH TYR A 38 9.482 0.738 6.440 1.00 0.00 O ATOM 0 H TYR A 38 2.900 -2.212 2.485 1.00 0.00 H new ATOM 0 HA TYR A 38 4.374 0.390 2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.678 -0.811 5.112 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.466 -2.260 4.520 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.014 1.219 5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.899 -2.434 4.431 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.189 2.049 6.532 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.074 -1.605 5.287 1.00 0.00 H new ATOM 0 HH TYR A 38 10.209 0.366 5.899 1.00 0.00 H new ATOM 667 N TYR A 39 6.369 -0.610 1.768 1.00 0.00 N ATOM 668 CA TYR A 39 7.381 -1.218 0.855 1.00 0.00 C ATOM 669 C TYR A 39 8.794 -0.832 1.310 1.00 0.00 C ATOM 670 O TYR A 39 9.061 0.311 1.620 1.00 0.00 O ATOM 671 CB TYR A 39 7.085 -0.636 -0.530 1.00 0.00 C ATOM 672 CG TYR A 39 8.081 -1.179 -1.531 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.398 -2.544 -1.538 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.684 -0.318 -2.457 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.317 -3.046 -2.470 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.600 -0.823 -3.390 1.00 0.00 C ATOM 677 CZ TYR A 39 9.916 -2.185 -3.396 1.00 0.00 C ATOM 678 OH TYR A 39 10.810 -2.681 -4.324 1.00 0.00 O ATOM 0 H TYR A 39 6.562 0.345 2.071 1.00 0.00 H new ATOM 0 HA TYR A 39 7.329 -2.307 0.851 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.071 -0.893 -0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.142 0.452 -0.498 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.934 -3.210 -0.825 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.443 0.735 -2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.563 -4.098 -2.473 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.062 -0.159 -4.105 1.00 0.00 H new ATOM 0 HH TYR A 39 11.228 -1.937 -4.806 1.00 0.00 H new ATOM 688 N ASP A 40 9.701 -1.768 1.360 1.00 0.00 N ATOM 689 CA ASP A 40 11.086 -1.429 1.803 1.00 0.00 C ATOM 690 C ASP A 40 12.122 -2.180 0.958 1.00 0.00 C ATOM 691 O ASP A 40 12.690 -3.155 1.405 1.00 0.00 O ATOM 692 CB ASP A 40 11.155 -1.889 3.260 1.00 0.00 C ATOM 693 CG ASP A 40 12.131 -1.004 4.035 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.304 -1.015 3.700 1.00 0.00 O ATOM 695 OD2 ASP A 40 11.690 -0.330 4.951 1.00 0.00 O ATOM 0 H ASP A 40 9.547 -2.746 1.116 1.00 0.00 H new ATOM 0 HA ASP A 40 11.302 -0.366 1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.165 -1.840 3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.476 -2.930 3.308 1.00 0.00 H new ATOM 700 N PRO A 41 12.343 -1.699 -0.237 1.00 0.00 N ATOM 701 CA PRO A 41 13.328 -2.350 -1.137 1.00 0.00 C ATOM 702 C PRO A 41 14.748 -2.177 -0.593 1.00 0.00 C ATOM 703 O PRO A 41 15.528 -1.401 -1.105 1.00 0.00 O ATOM 704 CB PRO A 41 13.156 -1.604 -2.457 1.00 0.00 C ATOM 705 CG PRO A 41 12.580 -0.280 -2.075 1.00 0.00 C ATOM 706 CD PRO A 41 11.721 -0.525 -0.862 1.00 0.00 C ATOM 0 HA PRO A 41 13.171 -3.424 -1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.109 -1.487 -2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.493 -2.144 -3.133 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.370 0.438 -1.853 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.990 0.137 -2.891 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.719 0.334 -0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.684 -0.718 -1.136 1.00 0.00 H new ATOM 714 N ARG A 42 15.088 -2.895 0.443 1.00 0.00 N ATOM 715 CA ARG A 42 16.452 -2.771 1.018 1.00 0.00 C ATOM 716 C ARG A 42 17.373 -3.852 0.445 1.00 0.00 C ATOM 717 O ARG A 42 17.019 -4.559 -0.477 1.00 0.00 O ATOM 718 CB ARG A 42 16.265 -2.964 2.523 1.00 0.00 C ATOM 719 CG ARG A 42 16.505 -1.635 3.241 1.00 0.00 C ATOM 720 CD ARG A 42 16.279 -1.818 4.742 1.00 0.00 C ATOM 721 NE ARG A 42 17.578 -1.452 5.376 1.00 0.00 N ATOM 722 CZ ARG A 42 17.700 -1.405 6.683 1.00 0.00 C ATOM 723 NH1 ARG A 42 16.691 -1.701 7.464 1.00 0.00 N ATOM 724 NH2 ARG A 42 18.844 -1.062 7.211 1.00 0.00 N ATOM 0 H ARG A 42 14.477 -3.562 0.914 1.00 0.00 H new ATOM 0 HA ARG A 42 16.912 -1.811 0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.258 -3.326 2.732 1.00 0.00 H new ATOM 0 HB3 ARG A 42 16.958 -3.720 2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 42 17.521 -1.288 3.055 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.831 -0.872 2.851 1.00 0.00 H new ATOM 0 HD2 ARG A 42 15.471 -1.180 5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 42 16.001 -2.845 4.977 1.00 0.00 H new ATOM 0 HE ARG A 42 18.382 -1.235 4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 42 15.795 -1.973 7.059 1.00 0.00 H new ATOM 0 HH12 ARG A 42 16.801 -1.660 8.477 1.00 0.00 H new ATOM 0 HH21 ARG A 42 19.635 -0.833 6.609 1.00 0.00 H new ATOM 0 HH22 ARG A 42 18.946 -1.023 8.225 1.00 0.00 H new ATOM 738 N LYS A 43 18.553 -3.984 0.987 1.00 0.00 N ATOM 739 CA LYS A 43 19.498 -5.019 0.477 1.00 0.00 C ATOM 740 C LYS A 43 19.956 -5.922 1.625 1.00 0.00 C ATOM 741 O LYS A 43 21.105 -6.311 1.701 1.00 0.00 O ATOM 742 CB LYS A 43 20.681 -4.230 -0.086 1.00 0.00 C ATOM 743 CG LYS A 43 20.673 -4.320 -1.612 1.00 0.00 C ATOM 744 CD LYS A 43 20.173 -2.999 -2.203 1.00 0.00 C ATOM 745 CE LYS A 43 19.505 -3.266 -3.554 1.00 0.00 C ATOM 746 NZ LYS A 43 18.059 -2.988 -3.331 1.00 0.00 N ATOM 0 H LYS A 43 18.904 -3.420 1.761 1.00 0.00 H new ATOM 0 HA LYS A 43 19.042 -5.663 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.619 -3.188 0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 43 21.617 -4.627 0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 43 21.676 -4.537 -1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 43 20.031 -5.140 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 43 19.464 -2.528 -1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 43 21.005 -2.306 -2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 43 19.915 -2.622 -4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 43 19.664 -4.295 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.509 -3.339 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.743 -3.467 -2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.914 -1.963 -3.232 1.00 0.00 H new ATOM 760 N THR A 44 19.066 -6.257 2.517 1.00 0.00 N ATOM 761 CA THR A 44 19.449 -7.133 3.661 1.00 0.00 C ATOM 762 C THR A 44 18.456 -8.288 3.799 1.00 0.00 C ATOM 763 O THR A 44 18.837 -9.437 3.901 1.00 0.00 O ATOM 764 CB THR A 44 19.392 -6.222 4.888 1.00 0.00 C ATOM 765 OG1 THR A 44 18.103 -5.632 4.978 1.00 0.00 O ATOM 766 CG2 THR A 44 20.448 -5.124 4.756 1.00 0.00 C ATOM 0 H THR A 44 18.090 -5.962 2.504 1.00 0.00 H new ATOM 0 HA THR A 44 20.434 -7.580 3.530 1.00 0.00 H new ATOM 0 HB THR A 44 19.587 -6.807 5.786 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.064 -5.049 5.765 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.408 -4.474 5.630 1.00 0.00 H new ATOM 0 HG22 THR A 44 21.437 -5.577 4.685 1.00 0.00 H new ATOM 0 HG23 THR A 44 20.253 -4.537 3.858 1.00 0.00 H new ATOM 774 N THR A 45 17.185 -7.995 3.798 1.00 0.00 N ATOM 775 CA THR A 45 16.170 -9.081 3.925 1.00 0.00 C ATOM 776 C THR A 45 15.059 -8.892 2.883 1.00 0.00 C ATOM 777 O THR A 45 14.673 -7.777 2.590 1.00 0.00 O ATOM 778 CB THR A 45 15.608 -8.938 5.340 1.00 0.00 C ATOM 779 OG1 THR A 45 15.012 -7.656 5.483 1.00 0.00 O ATOM 780 CG2 THR A 45 16.737 -9.093 6.359 1.00 0.00 C ATOM 0 H THR A 45 16.805 -7.052 3.715 1.00 0.00 H new ATOM 0 HA THR A 45 16.600 -10.068 3.756 1.00 0.00 H new ATOM 0 HB THR A 45 14.858 -9.710 5.513 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.650 -7.563 6.389 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.334 -8.991 7.367 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.194 -10.076 6.249 1.00 0.00 H new ATOM 0 HG23 THR A 45 17.489 -8.322 6.189 1.00 0.00 H new ATOM 788 N PRO A 46 14.578 -9.991 2.352 1.00 0.00 N ATOM 789 CA PRO A 46 13.503 -9.928 1.333 1.00 0.00 C ATOM 790 C PRO A 46 12.160 -9.588 1.989 1.00 0.00 C ATOM 791 O PRO A 46 11.229 -9.163 1.334 1.00 0.00 O ATOM 792 CB PRO A 46 13.478 -11.338 0.749 1.00 0.00 C ATOM 793 CG PRO A 46 14.038 -12.216 1.824 1.00 0.00 C ATOM 794 CD PRO A 46 14.982 -11.374 2.643 1.00 0.00 C ATOM 0 HA PRO A 46 13.676 -9.161 0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.464 -11.637 0.484 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.076 -11.399 -0.161 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.239 -12.616 2.449 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.561 -13.069 1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.896 -11.599 3.706 1.00 0.00 H new ATOM 0 HD3 PRO A 46 16.020 -11.553 2.363 1.00 0.00 H new ATOM 802 N ASP A 47 12.052 -9.773 3.277 1.00 0.00 N ATOM 803 CA ASP A 47 10.769 -9.465 3.972 1.00 0.00 C ATOM 804 C ASP A 47 10.579 -7.951 4.101 1.00 0.00 C ATOM 805 O ASP A 47 10.659 -7.394 5.179 1.00 0.00 O ATOM 806 CB ASP A 47 10.902 -10.112 5.350 1.00 0.00 C ATOM 807 CG ASP A 47 10.444 -11.570 5.277 1.00 0.00 C ATOM 808 OD1 ASP A 47 11.093 -12.341 4.588 1.00 0.00 O ATOM 809 OD2 ASP A 47 9.453 -11.892 5.911 1.00 0.00 O ATOM 0 H ASP A 47 12.797 -10.124 3.878 1.00 0.00 H new ATOM 0 HA ASP A 47 9.904 -9.842 3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.937 -10.062 5.689 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.301 -9.567 6.078 1.00 0.00 H new ATOM 814 N TRP A 48 10.319 -7.282 3.011 1.00 0.00 N ATOM 815 CA TRP A 48 10.111 -5.802 3.068 1.00 0.00 C ATOM 816 C TRP A 48 8.680 -5.448 2.654 1.00 0.00 C ATOM 817 O TRP A 48 8.231 -4.332 2.827 1.00 0.00 O ATOM 818 CB TRP A 48 11.112 -5.185 2.075 1.00 0.00 C ATOM 819 CG TRP A 48 11.126 -5.953 0.783 1.00 0.00 C ATOM 820 CD1 TRP A 48 12.148 -6.731 0.363 1.00 0.00 C ATOM 821 CD2 TRP A 48 10.107 -6.023 -0.258 1.00 0.00 C ATOM 822 NE1 TRP A 48 11.814 -7.292 -0.856 1.00 0.00 N ATOM 823 CE2 TRP A 48 10.568 -6.885 -1.281 1.00 0.00 C ATOM 824 CE3 TRP A 48 8.839 -5.437 -0.410 1.00 0.00 C ATOM 825 CZ2 TRP A 48 9.799 -7.157 -2.413 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.061 -5.706 -1.550 1.00 0.00 C ATOM 827 CH2 TRP A 48 8.540 -6.566 -2.548 1.00 0.00 C ATOM 0 H TRP A 48 10.241 -7.694 2.081 1.00 0.00 H new ATOM 0 HA TRP A 48 10.265 -5.423 4.078 1.00 0.00 H new ATOM 0 HB2 TRP A 48 10.846 -4.146 1.882 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.110 -5.183 2.513 1.00 0.00 H new ATOM 0 HD1 TRP A 48 13.075 -6.889 0.893 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.416 -7.929 -1.377 1.00 0.00 H new ATOM 0 HE3 TRP A 48 8.459 -4.775 0.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.174 -7.819 -3.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.089 -5.248 -1.657 1.00 0.00 H new ATOM 0 HH2 TRP A 48 7.937 -6.772 -3.420 1.00 0.00 H new ATOM 838 N LEU A 49 7.965 -6.383 2.093 1.00 0.00 N ATOM 839 CA LEU A 49 6.572 -6.096 1.651 1.00 0.00 C ATOM 840 C LEU A 49 5.587 -6.255 2.811 1.00 0.00 C ATOM 841 O LEU A 49 5.451 -7.318 3.383 1.00 0.00 O ATOM 842 CB LEU A 49 6.292 -7.154 0.589 1.00 0.00 C ATOM 843 CG LEU A 49 5.164 -6.686 -0.326 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.206 -7.494 -1.616 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.818 -6.906 0.369 1.00 0.00 C ATOM 0 H LEU A 49 8.286 -7.336 1.921 1.00 0.00 H new ATOM 0 HA LEU A 49 6.461 -5.076 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.192 -7.342 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.019 -8.096 1.065 1.00 0.00 H new ATOM 0 HG LEU A 49 5.286 -5.626 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.403 -7.167 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.166 -7.343 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.079 -8.552 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.012 -6.572 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.691 -7.966 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.791 -6.337 1.298 1.00 0.00 H new ATOM 857 N LYS A 50 4.883 -5.212 3.150 1.00 0.00 N ATOM 858 CA LYS A 50 3.889 -5.314 4.259 1.00 0.00 C ATOM 859 C LYS A 50 2.588 -4.620 3.849 1.00 0.00 C ATOM 860 O LYS A 50 2.470 -3.415 3.938 1.00 0.00 O ATOM 861 CB LYS A 50 4.531 -4.592 5.446 1.00 0.00 C ATOM 862 CG LYS A 50 4.486 -5.493 6.681 1.00 0.00 C ATOM 863 CD LYS A 50 4.542 -4.628 7.942 1.00 0.00 C ATOM 864 CE LYS A 50 4.797 -5.514 9.164 1.00 0.00 C ATOM 865 NZ LYS A 50 3.461 -5.687 9.799 1.00 0.00 N ATOM 0 H LYS A 50 4.951 -4.294 2.710 1.00 0.00 H new ATOM 0 HA LYS A 50 3.644 -6.348 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.563 -4.332 5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.004 -3.659 5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.574 -6.090 6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.324 -6.190 6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.333 -3.883 7.849 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.605 -4.085 8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.223 -6.474 8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.503 -5.046 9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.554 -6.284 10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.083 -4.757 10.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.812 -6.141 9.125 1.00 0.00 H new ATOM 879 N VAL A 51 1.612 -5.361 3.388 1.00 0.00 N ATOM 880 CA VAL A 51 0.341 -4.705 2.969 1.00 0.00 C ATOM 881 C VAL A 51 -0.875 -5.358 3.616 1.00 0.00 C ATOM 882 O VAL A 51 -1.085 -6.551 3.523 1.00 0.00 O ATOM 883 CB VAL A 51 0.285 -4.851 1.428 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.167 -4.955 0.923 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.909 -3.624 0.786 1.00 0.00 C ATOM 0 H VAL A 51 1.640 -6.375 3.285 1.00 0.00 H new ATOM 0 HA VAL A 51 0.320 -3.661 3.283 1.00 0.00 H new ATOM 0 HB VAL A 51 0.825 -5.760 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.168 -5.056 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.646 -5.826 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.715 -4.056 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.872 -3.722 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.357 -2.734 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.947 -3.534 1.107 1.00 0.00 H new ATOM 895 N ASP A 52 -1.719 -4.557 4.187 1.00 0.00 N ATOM 896 CA ASP A 52 -2.973 -5.097 4.744 1.00 0.00 C ATOM 897 C ASP A 52 -3.912 -5.264 3.556 1.00 0.00 C ATOM 898 O ASP A 52 -4.819 -4.477 3.370 1.00 0.00 O ATOM 899 CB ASP A 52 -3.492 -4.023 5.701 1.00 0.00 C ATOM 900 CG ASP A 52 -4.437 -4.660 6.724 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.883 -5.770 6.482 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.700 -4.025 7.732 1.00 0.00 O ATOM 0 H ASP A 52 -1.592 -3.550 4.291 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.869 -6.046 5.270 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.657 -3.543 6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.014 -3.246 5.143 1.00 0.00 H new ATOM 907 N VAL A 53 -3.647 -6.246 2.717 1.00 0.00 N ATOM 908 CA VAL A 53 -4.471 -6.463 1.474 1.00 0.00 C ATOM 909 C VAL A 53 -5.949 -6.109 1.708 1.00 0.00 C ATOM 910 O VAL A 53 -6.616 -5.642 0.813 1.00 0.00 O ATOM 911 CB VAL A 53 -4.257 -7.945 1.040 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.995 -8.859 2.239 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.479 -8.471 0.270 1.00 0.00 C ATOM 0 H VAL A 53 -2.886 -6.914 2.842 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.152 -5.800 0.670 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.380 -7.958 0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.851 -9.882 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.100 -8.524 2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.847 -8.822 2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.307 -9.507 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.362 -8.416 0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.636 -7.864 -0.621 1.00 0.00 H new ATOM 923 N GLU A 54 -6.455 -6.283 2.898 1.00 0.00 N ATOM 924 CA GLU A 54 -7.869 -5.897 3.140 1.00 0.00 C ATOM 925 C GLU A 54 -8.024 -4.403 2.855 1.00 0.00 C ATOM 926 O GLU A 54 -8.875 -3.989 2.093 1.00 0.00 O ATOM 927 CB GLU A 54 -8.134 -6.210 4.613 1.00 0.00 C ATOM 928 CG GLU A 54 -9.018 -7.453 4.719 1.00 0.00 C ATOM 929 CD GLU A 54 -8.175 -8.704 4.466 1.00 0.00 C ATOM 930 OE1 GLU A 54 -7.895 -8.982 3.312 1.00 0.00 O ATOM 931 OE2 GLU A 54 -7.823 -9.362 5.431 1.00 0.00 O ATOM 0 H GLU A 54 -5.958 -6.670 3.700 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.573 -6.430 2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.192 -6.375 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.621 -5.362 5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.475 -7.504 5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.831 -7.397 3.995 1.00 0.00 H new ATOM 938 N ARG A 55 -7.185 -3.596 3.440 1.00 0.00 N ATOM 939 CA ARG A 55 -7.256 -2.133 3.184 1.00 0.00 C ATOM 940 C ARG A 55 -6.716 -1.851 1.783 1.00 0.00 C ATOM 941 O ARG A 55 -7.275 -1.081 1.033 1.00 0.00 O ATOM 942 CB ARG A 55 -6.368 -1.491 4.248 1.00 0.00 C ATOM 943 CG ARG A 55 -7.053 -1.594 5.610 1.00 0.00 C ATOM 944 CD ARG A 55 -8.226 -0.612 5.673 1.00 0.00 C ATOM 945 NE ARG A 55 -7.594 0.738 5.723 1.00 0.00 N ATOM 946 CZ ARG A 55 -8.268 1.784 6.143 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.513 1.671 6.532 1.00 0.00 N ATOM 948 NH2 ARG A 55 -7.686 2.952 6.177 1.00 0.00 N ATOM 0 H ARG A 55 -6.452 -3.888 4.086 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.272 -1.741 3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.399 -1.989 4.277 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.182 -0.446 4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.409 -2.611 5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.339 -1.375 6.404 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.873 -0.713 4.802 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.845 -0.791 6.552 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.624 0.850 5.427 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.973 0.761 6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.023 2.493 6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.715 3.047 5.879 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.202 3.770 6.502 1.00 0.00 H new ATOM 962 N ALA A 56 -5.656 -2.507 1.406 1.00 0.00 N ATOM 963 CA ALA A 56 -5.118 -2.310 0.041 1.00 0.00 C ATOM 964 C ALA A 56 -6.190 -2.771 -0.951 1.00 0.00 C ATOM 965 O ALA A 56 -6.179 -2.404 -2.110 1.00 0.00 O ATOM 966 CB ALA A 56 -3.859 -3.185 -0.015 1.00 0.00 C ATOM 0 H ALA A 56 -5.142 -3.170 1.986 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.868 -1.278 -0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.397 -3.096 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.153 -2.857 0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.130 -4.225 0.165 1.00 0.00 H new ATOM 972 N ARG A 57 -7.143 -3.557 -0.489 1.00 0.00 N ATOM 973 CA ARG A 57 -8.229 -4.016 -1.385 1.00 0.00 C ATOM 974 C ARG A 57 -9.370 -2.991 -1.368 1.00 0.00 C ATOM 975 O ARG A 57 -10.111 -2.853 -2.322 1.00 0.00 O ATOM 976 CB ARG A 57 -8.693 -5.357 -0.814 1.00 0.00 C ATOM 977 CG ARG A 57 -9.925 -5.847 -1.579 1.00 0.00 C ATOM 978 CD ARG A 57 -10.338 -7.225 -1.055 1.00 0.00 C ATOM 979 NE ARG A 57 -11.101 -6.950 0.197 1.00 0.00 N ATOM 980 CZ ARG A 57 -12.317 -6.457 0.148 1.00 0.00 C ATOM 981 NH1 ARG A 57 -12.893 -6.197 -0.999 1.00 0.00 N ATOM 982 NH2 ARG A 57 -12.962 -6.225 1.259 1.00 0.00 N ATOM 0 H ARG A 57 -7.204 -3.893 0.472 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.901 -4.122 -2.419 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.891 -6.092 -0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.930 -5.250 0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.746 -5.140 -1.459 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.706 -5.903 -2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.952 -7.756 -1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.467 -7.849 -0.857 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.673 -7.147 1.102 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.396 -6.377 -1.872 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.838 -5.814 -1.020 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.521 -6.427 2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.907 -5.842 1.230 1.00 0.00 H new ATOM 996 N TYR A 58 -9.494 -2.251 -0.294 1.00 0.00 N ATOM 997 CA TYR A 58 -10.552 -1.207 -0.203 1.00 0.00 C ATOM 998 C TYR A 58 -10.286 -0.196 -1.293 1.00 0.00 C ATOM 999 O TYR A 58 -11.160 0.271 -1.998 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.322 -0.562 1.170 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.985 0.806 1.266 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.182 1.061 0.587 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.393 1.816 2.041 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.789 2.320 0.682 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.000 3.075 2.133 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.198 3.326 1.456 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.798 4.566 1.550 1.00 0.00 O ATOM 0 H TYR A 58 -8.899 -2.329 0.531 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.567 -1.588 -0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.717 -1.214 1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.252 -0.462 1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.638 0.286 -0.011 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.469 1.622 2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.713 2.515 0.158 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.543 3.852 2.727 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.259 5.147 2.126 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.052 0.146 -1.388 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.609 1.141 -2.378 1.00 0.00 C ATOM 1019 C TRP A 59 -8.755 0.580 -3.780 1.00 0.00 C ATOM 1020 O TRP A 59 -9.468 1.119 -4.603 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.170 1.418 -1.966 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.278 2.078 -0.640 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.786 1.628 0.537 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.020 3.275 -0.345 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.153 2.520 1.535 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.921 3.556 1.032 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.751 4.146 -1.158 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.539 4.675 1.590 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.377 5.269 -0.609 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.272 5.536 0.763 1.00 0.00 C ATOM 0 H TRP A 59 -8.306 -0.233 -0.804 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.193 2.061 -2.398 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.592 0.496 -1.904 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.668 2.061 -2.689 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.206 0.728 0.676 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.890 2.424 2.516 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.833 3.950 -2.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.453 4.875 2.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.944 5.933 -1.244 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.756 6.405 1.183 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.139 -0.525 -4.049 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.307 -1.142 -5.390 1.00 0.00 C ATOM 1043 C LEU A 60 -9.807 -1.380 -5.634 1.00 0.00 C ATOM 1044 O LEU A 60 -10.254 -1.502 -6.757 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.553 -2.471 -5.320 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.119 -2.279 -5.819 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.272 -3.485 -5.409 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.119 -2.156 -7.344 1.00 0.00 C ATOM 0 H LEU A 60 -7.529 -1.029 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.929 -0.518 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.545 -2.842 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.062 -3.221 -5.926 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.702 -1.372 -5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.250 -3.350 -5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.270 -3.576 -4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.691 -4.390 -5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.097 -2.019 -7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.537 -3.062 -7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.723 -1.298 -7.640 1.00 0.00 H new ATOM 1060 N SER A 61 -10.585 -1.441 -4.575 1.00 0.00 N ATOM 1061 CA SER A 61 -12.048 -1.664 -4.727 1.00 0.00 C ATOM 1062 C SER A 61 -12.758 -0.361 -5.119 1.00 0.00 C ATOM 1063 O SER A 61 -13.829 -0.382 -5.693 1.00 0.00 O ATOM 1064 CB SER A 61 -12.524 -2.143 -3.354 1.00 0.00 C ATOM 1065 OG SER A 61 -13.891 -1.793 -3.176 1.00 0.00 O ATOM 0 H SER A 61 -10.261 -1.345 -3.613 1.00 0.00 H new ATOM 0 HA SER A 61 -12.269 -2.387 -5.512 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.401 -3.223 -3.271 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.917 -1.692 -2.569 1.00 0.00 H new ATOM 0 HG SER A 61 -14.196 -2.101 -2.297 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.176 0.775 -4.824 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.831 2.053 -5.192 1.00 0.00 C ATOM 1073 C VAL A 62 -12.215 2.587 -6.484 1.00 0.00 C ATOM 1074 O VAL A 62 -12.119 3.778 -6.701 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.570 3.019 -4.024 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.018 2.392 -2.701 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.078 3.351 -3.927 1.00 0.00 C ATOM 0 H VAL A 62 -11.279 0.866 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.901 1.931 -5.363 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.138 3.930 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.826 3.089 -1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.084 2.170 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.463 1.470 -2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.911 4.036 -3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.511 2.435 -3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.748 3.819 -4.854 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.798 1.703 -7.336 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.182 2.132 -8.621 1.00 0.00 C ATOM 1089 C GLY A 63 -9.818 2.777 -8.357 1.00 0.00 C ATOM 1090 O GLY A 63 -9.358 3.601 -9.121 1.00 0.00 O ATOM 0 H GLY A 63 -11.856 0.694 -7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.066 1.274 -9.283 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.836 2.840 -9.129 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.162 2.413 -7.284 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.831 3.013 -6.996 1.00 0.00 C ATOM 1096 C ALA A 64 -6.842 2.641 -8.102 1.00 0.00 C ATOM 1097 O ALA A 64 -6.790 1.511 -8.545 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.397 2.412 -5.659 1.00 0.00 C ATOM 0 H ALA A 64 -9.491 1.730 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.869 4.101 -6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.421 2.809 -5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.126 2.670 -4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.335 1.328 -5.751 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.061 3.581 -8.554 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.085 3.275 -9.637 1.00 0.00 C ATOM 1106 C GLN A 65 -3.682 3.049 -9.051 1.00 0.00 C ATOM 1107 O GLN A 65 -3.038 3.986 -8.621 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.090 4.513 -10.535 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.356 4.093 -11.981 1.00 0.00 C ATOM 1110 CD GLN A 65 -4.052 3.626 -12.629 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -3.127 4.399 -12.787 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -3.936 2.384 -13.013 1.00 0.00 N ATOM 0 H GLN A 65 -6.056 4.545 -8.222 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.351 2.369 -10.181 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.856 5.214 -10.202 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.133 5.030 -10.465 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.094 3.291 -12.007 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.773 4.929 -12.542 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.712 1.735 -12.881 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.070 2.063 -13.445 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.247 1.811 -9.059 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.903 1.488 -8.535 1.00 0.00 C ATOM 1123 C PRO A 66 -0.855 1.784 -9.617 1.00 0.00 C ATOM 1124 O PRO A 66 -1.083 1.547 -10.787 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.982 -0.006 -8.245 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.046 -0.535 -9.158 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.950 0.615 -9.538 1.00 0.00 C ATOM 0 HA PRO A 66 -1.621 2.065 -7.654 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.025 -0.493 -8.433 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.234 -0.190 -7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.599 -0.978 -10.048 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.617 -1.321 -8.663 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.110 0.654 -10.615 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.931 0.519 -9.073 1.00 0.00 H new ATOM 1135 N THR A 67 0.280 2.309 -9.247 1.00 0.00 N ATOM 1136 CA THR A 67 1.322 2.628 -10.270 1.00 0.00 C ATOM 1137 C THR A 67 1.994 1.347 -10.781 1.00 0.00 C ATOM 1138 O THR A 67 1.690 0.256 -10.338 1.00 0.00 O ATOM 1139 CB THR A 67 2.336 3.507 -9.537 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.382 3.867 -10.430 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.917 2.735 -8.351 1.00 0.00 C ATOM 0 H THR A 67 0.533 2.531 -8.284 1.00 0.00 H new ATOM 0 HA THR A 67 0.898 3.125 -11.142 1.00 0.00 H new ATOM 0 HB THR A 67 1.842 4.409 -9.174 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.032 4.432 -9.962 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.640 3.361 -7.828 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.114 2.460 -7.667 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.412 1.833 -8.711 1.00 0.00 H new ATOM 1149 N ASP A 68 2.914 1.473 -11.704 1.00 0.00 N ATOM 1150 CA ASP A 68 3.615 0.266 -12.241 1.00 0.00 C ATOM 1151 C ASP A 68 4.735 -0.161 -11.284 1.00 0.00 C ATOM 1152 O ASP A 68 5.876 -0.311 -11.671 1.00 0.00 O ATOM 1153 CB ASP A 68 4.199 0.709 -13.584 1.00 0.00 C ATOM 1154 CG ASP A 68 3.512 -0.050 -14.721 1.00 0.00 C ATOM 1155 OD1 ASP A 68 3.955 -1.145 -15.027 1.00 0.00 O ATOM 1156 OD2 ASP A 68 2.559 0.477 -15.268 1.00 0.00 O ATOM 0 H ASP A 68 3.211 2.361 -12.110 1.00 0.00 H new ATOM 0 HA ASP A 68 2.945 -0.587 -12.351 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.061 1.782 -13.715 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.272 0.521 -13.605 1.00 0.00 H new ATOM 1161 N THR A 69 4.403 -0.356 -10.040 1.00 0.00 N ATOM 1162 CA THR A 69 5.414 -0.769 -9.027 1.00 0.00 C ATOM 1163 C THR A 69 4.674 -1.253 -7.788 1.00 0.00 C ATOM 1164 O THR A 69 4.780 -2.394 -7.385 1.00 0.00 O ATOM 1165 CB THR A 69 6.190 0.494 -8.701 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.735 1.049 -9.889 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.317 0.180 -7.715 1.00 0.00 C ATOM 0 H THR A 69 3.457 -0.245 -9.675 1.00 0.00 H new ATOM 0 HA THR A 69 6.071 -1.565 -9.378 1.00 0.00 H new ATOM 0 HB THR A 69 5.510 1.215 -8.247 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.937 0.330 -10.523 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.867 1.093 -7.488 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.894 -0.226 -6.796 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.994 -0.551 -8.157 1.00 0.00 H new ATOM 1175 N ALA A 70 3.887 -0.390 -7.208 1.00 0.00 N ATOM 1176 CA ALA A 70 3.095 -0.787 -6.028 1.00 0.00 C ATOM 1177 C ALA A 70 2.067 -1.806 -6.491 1.00 0.00 C ATOM 1178 O ALA A 70 1.646 -2.666 -5.746 1.00 0.00 O ATOM 1179 CB ALA A 70 2.419 0.495 -5.540 1.00 0.00 C ATOM 0 H ALA A 70 3.763 0.577 -7.508 1.00 0.00 H new ATOM 0 HA ALA A 70 3.687 -1.232 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.812 0.275 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.180 1.231 -5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.783 0.894 -6.330 1.00 0.00 H new ATOM 1185 N ARG A 71 1.689 -1.740 -7.742 1.00 0.00 N ATOM 1186 CA ARG A 71 0.727 -2.723 -8.270 1.00 0.00 C ATOM 1187 C ARG A 71 1.379 -4.087 -8.167 1.00 0.00 C ATOM 1188 O ARG A 71 0.768 -5.059 -7.774 1.00 0.00 O ATOM 1189 CB ARG A 71 0.509 -2.334 -9.740 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.208 -3.466 -10.487 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.791 -2.928 -11.797 1.00 0.00 C ATOM 1192 NE ARG A 71 0.321 -3.025 -12.786 1.00 0.00 N ATOM 1193 CZ ARG A 71 0.742 -4.192 -13.214 1.00 0.00 C ATOM 1194 NH1 ARG A 71 0.216 -5.304 -12.767 1.00 0.00 N ATOM 1195 NH2 ARG A 71 1.703 -4.245 -14.095 1.00 0.00 N ATOM 0 H ARG A 71 2.012 -1.043 -8.413 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.222 -2.743 -7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.081 -1.419 -9.798 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.468 -2.125 -10.215 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.489 -4.278 -10.694 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.003 -3.879 -9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.653 -3.514 -12.115 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.130 -1.898 -11.684 1.00 0.00 H new ATOM 0 HE ARG A 71 0.760 -2.173 -13.134 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.533 -5.272 -12.075 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.555 -6.203 -13.110 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.121 -3.383 -14.446 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.036 -5.148 -14.433 1.00 0.00 H new ATOM 1209 N ARG A 72 2.638 -4.151 -8.500 1.00 0.00 N ATOM 1210 CA ARG A 72 3.349 -5.433 -8.418 1.00 0.00 C ATOM 1211 C ARG A 72 3.416 -5.864 -6.950 1.00 0.00 C ATOM 1212 O ARG A 72 3.440 -7.037 -6.635 1.00 0.00 O ATOM 1213 CB ARG A 72 4.729 -5.127 -9.029 1.00 0.00 C ATOM 1214 CG ARG A 72 5.806 -6.022 -8.427 1.00 0.00 C ATOM 1215 CD ARG A 72 6.856 -6.344 -9.494 1.00 0.00 C ATOM 1216 NE ARG A 72 7.594 -7.533 -8.973 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.483 -8.149 -9.719 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.739 -7.742 -10.938 1.00 0.00 N ATOM 1219 NH2 ARG A 72 9.122 -9.181 -9.238 1.00 0.00 N ATOM 0 H ARG A 72 3.197 -3.362 -8.825 1.00 0.00 H new ATOM 0 HA ARG A 72 2.873 -6.259 -8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.693 -5.272 -10.109 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.983 -4.081 -8.857 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.275 -5.524 -7.578 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.360 -6.943 -8.050 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.388 -6.561 -10.454 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.529 -5.501 -9.651 1.00 0.00 H new ATOM 0 HE ARG A 72 7.406 -7.870 -8.029 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.245 -6.936 -11.321 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.432 -8.231 -11.504 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.929 -9.503 -8.290 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.814 -9.665 -9.811 1.00 0.00 H new ATOM 1233 N LEU A 73 3.429 -4.919 -6.051 1.00 0.00 N ATOM 1234 CA LEU A 73 3.473 -5.266 -4.615 1.00 0.00 C ATOM 1235 C LEU A 73 2.057 -5.521 -4.117 1.00 0.00 C ATOM 1236 O LEU A 73 1.842 -6.302 -3.214 1.00 0.00 O ATOM 1237 CB LEU A 73 4.091 -4.057 -3.913 1.00 0.00 C ATOM 1238 CG LEU A 73 5.445 -3.737 -4.546 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.847 -2.304 -4.195 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.501 -4.706 -4.011 1.00 0.00 C ATOM 0 H LEU A 73 3.411 -3.920 -6.256 1.00 0.00 H new ATOM 0 HA LEU A 73 4.056 -6.166 -4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.427 -3.197 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.214 -4.264 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 73 5.372 -3.840 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.813 -2.076 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.096 -1.612 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.919 -2.201 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.466 -4.478 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.574 -4.604 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.217 -5.728 -4.260 1.00 0.00 H new ATOM 1252 N LEU A 74 1.081 -4.896 -4.720 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.311 -5.153 -4.290 1.00 0.00 C ATOM 1254 C LEU A 74 -0.660 -6.583 -4.701 1.00 0.00 C ATOM 1255 O LEU A 74 -1.461 -7.246 -4.075 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.176 -4.126 -5.028 1.00 0.00 C ATOM 1257 CG LEU A 74 -0.910 -2.734 -4.468 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.284 -1.687 -5.516 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.758 -2.528 -3.212 1.00 0.00 C ATOM 0 H LEU A 74 1.191 -4.227 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.464 -5.058 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.953 -4.148 -6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.231 -4.378 -4.917 1.00 0.00 H new ATOM 0 HG LEU A 74 0.146 -2.633 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.095 -0.690 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.684 -1.840 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.341 -1.783 -5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.572 -1.533 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.814 -2.625 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.494 -3.279 -2.467 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.023 -7.074 -5.737 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.270 -8.471 -6.180 1.00 0.00 C ATOM 1273 C ARG A 75 0.572 -9.393 -5.327 1.00 0.00 C ATOM 1274 O ARG A 75 0.214 -10.523 -5.060 1.00 0.00 O ATOM 1275 CB ARG A 75 0.199 -8.561 -7.636 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.342 -7.389 -8.447 1.00 0.00 C ATOM 1277 CD ARG A 75 -1.290 -7.909 -9.531 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.398 -8.339 -10.647 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.891 -8.624 -11.830 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -2.178 -8.536 -12.062 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.089 -9.001 -12.788 1.00 0.00 N ATOM 0 H ARG A 75 0.660 -6.560 -6.294 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.320 -8.748 -6.090 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.288 -8.564 -7.673 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.138 -9.500 -8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.868 -6.693 -7.793 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.481 -6.838 -8.903 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.892 -8.740 -9.164 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.983 -7.133 -9.856 1.00 0.00 H new ATOM 0 HE ARG A 75 0.607 -8.412 -10.489 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.811 -8.243 -11.318 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.546 -8.761 -12.986 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.914 -9.073 -12.615 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.465 -9.224 -13.710 1.00 0.00 H new ATOM 1295 N GLN A 76 1.701 -8.913 -4.903 1.00 0.00 N ATOM 1296 CA GLN A 76 2.585 -9.741 -4.078 1.00 0.00 C ATOM 1297 C GLN A 76 2.038 -9.813 -2.669 1.00 0.00 C ATOM 1298 O GLN A 76 2.108 -10.825 -2.000 1.00 0.00 O ATOM 1299 CB GLN A 76 3.916 -9.016 -4.131 1.00 0.00 C ATOM 1300 CG GLN A 76 5.043 -9.964 -3.732 1.00 0.00 C ATOM 1301 CD GLN A 76 5.342 -10.906 -4.899 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.431 -12.104 -4.721 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.502 -10.409 -6.094 1.00 0.00 N ATOM 0 H GLN A 76 2.044 -7.973 -5.099 1.00 0.00 H new ATOM 0 HA GLN A 76 2.675 -10.771 -4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.091 -8.633 -5.136 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.898 -8.157 -3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.936 -9.397 -3.468 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.758 -10.537 -2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.427 -9.403 -6.242 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.702 -11.027 -6.881 1.00 0.00 H new ATOM 1312 N ALA A 77 1.463 -8.743 -2.232 1.00 0.00 N ATOM 1313 CA ALA A 77 0.863 -8.721 -0.879 1.00 0.00 C ATOM 1314 C ALA A 77 -0.316 -9.704 -0.818 1.00 0.00 C ATOM 1315 O ALA A 77 -0.812 -10.027 0.244 1.00 0.00 O ATOM 1316 CB ALA A 77 0.381 -7.285 -0.681 1.00 0.00 C ATOM 0 H ALA A 77 1.380 -7.872 -2.757 1.00 0.00 H new ATOM 0 HA ALA A 77 1.569 -9.018 -0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.078 -7.188 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.228 -6.603 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.352 -7.038 -1.449 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.763 -10.189 -1.953 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.899 -11.154 -1.968 1.00 0.00 C ATOM 1324 C GLY A 78 -3.228 -10.405 -2.122 1.00 0.00 C ATOM 1325 O GLY A 78 -4.165 -10.643 -1.387 1.00 0.00 O ATOM 0 H GLY A 78 -0.385 -9.954 -2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.774 -11.861 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.905 -11.734 -1.045 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.325 -9.501 -3.065 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.599 -8.749 -3.240 1.00 0.00 C ATOM 1331 C VAL A 79 -5.265 -9.075 -4.586 1.00 0.00 C ATOM 1332 O VAL A 79 -6.381 -8.669 -4.844 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.212 -7.276 -3.194 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.476 -6.417 -3.220 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.424 -6.982 -1.914 1.00 0.00 C ATOM 0 H VAL A 79 -2.580 -9.254 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.318 -9.015 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.591 -7.043 -4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.200 -5.363 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.034 -6.618 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.097 -6.657 -2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.151 -5.927 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.039 -7.219 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.520 -7.591 -1.895 1.00 0.00 H new ATOM 1345 N PHE A 80 -4.592 -9.785 -5.451 1.00 0.00 N ATOM 1346 CA PHE A 80 -5.197 -10.106 -6.777 1.00 0.00 C ATOM 1347 C PHE A 80 -5.486 -11.606 -6.873 1.00 0.00 C ATOM 1348 O PHE A 80 -4.586 -12.412 -7.006 1.00 0.00 O ATOM 1349 CB PHE A 80 -4.142 -9.703 -7.817 1.00 0.00 C ATOM 1350 CG PHE A 80 -3.904 -8.208 -7.778 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -3.364 -7.617 -6.634 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -4.213 -7.409 -8.890 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -3.137 -6.249 -6.592 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -3.982 -6.026 -8.845 1.00 0.00 C ATOM 1355 CZ PHE A 80 -3.442 -5.447 -7.689 1.00 0.00 C ATOM 0 H PHE A 80 -3.654 -10.155 -5.299 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.140 -9.582 -6.932 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.209 -10.231 -7.621 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.472 -9.999 -8.813 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -3.122 -8.228 -5.777 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -4.628 -7.859 -9.780 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.720 -5.802 -5.701 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.220 -5.409 -9.699 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.263 -4.383 -7.649 1.00 0.00 H new ATOM 1365 N ARG A 81 -6.732 -11.990 -6.812 1.00 0.00 N ATOM 1366 CA ARG A 81 -7.063 -13.442 -6.906 1.00 0.00 C ATOM 1367 C ARG A 81 -7.077 -13.881 -8.372 1.00 0.00 C ATOM 1368 O ARG A 81 -7.586 -13.191 -9.234 1.00 0.00 O ATOM 1369 CB ARG A 81 -8.453 -13.586 -6.285 1.00 0.00 C ATOM 1370 CG ARG A 81 -9.459 -12.730 -7.056 1.00 0.00 C ATOM 1371 CD ARG A 81 -10.285 -11.907 -6.067 1.00 0.00 C ATOM 1372 NE ARG A 81 -11.247 -11.140 -6.909 1.00 0.00 N ATOM 1373 CZ ARG A 81 -11.904 -10.115 -6.418 1.00 0.00 C ATOM 1374 NH1 ARG A 81 -11.737 -9.743 -5.173 1.00 0.00 N ATOM 1375 NH2 ARG A 81 -12.737 -9.461 -7.179 1.00 0.00 N ATOM 0 H ARG A 81 -7.531 -11.366 -6.702 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.331 -14.065 -6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.762 -14.631 -6.303 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.427 -13.279 -5.239 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.937 -12.070 -7.749 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -10.113 -13.366 -7.653 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.807 -12.550 -5.358 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.651 -11.239 -5.484 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.397 -11.415 -7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.089 -10.252 -4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.254 -8.945 -4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.874 -9.747 -8.148 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.251 -8.664 -6.805 1.00 0.00 H new ATOM 1389 N GLN A 82 -6.513 -15.020 -8.661 1.00 0.00 N ATOM 1390 CA GLN A 82 -6.483 -15.507 -10.071 1.00 0.00 C ATOM 1391 C GLN A 82 -7.894 -15.526 -10.666 1.00 0.00 C ATOM 1392 O GLN A 82 -8.876 -15.627 -9.959 1.00 0.00 O ATOM 1393 CB GLN A 82 -5.925 -16.927 -9.984 1.00 0.00 C ATOM 1394 CG GLN A 82 -6.846 -17.782 -9.112 1.00 0.00 C ATOM 1395 CD GLN A 82 -6.303 -19.210 -9.039 1.00 0.00 C ATOM 1396 OE1 GLN A 82 -7.020 -20.159 -9.292 1.00 0.00 O ATOM 1397 NE2 GLN A 82 -5.059 -19.406 -8.700 1.00 0.00 N ATOM 0 H GLN A 82 -6.070 -15.637 -7.981 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.880 -14.864 -10.712 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.845 -17.360 -10.981 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.920 -16.909 -9.563 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.914 -17.356 -8.111 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.854 -17.786 -9.526 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.457 -18.611 -8.488 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.688 -20.355 -8.647 1.00 0.00 H new ATOM 1406 N GLU A 83 -7.995 -15.437 -11.965 1.00 0.00 N ATOM 1407 CA GLU A 83 -9.336 -15.458 -12.616 1.00 0.00 C ATOM 1408 C GLU A 83 -9.444 -16.667 -13.549 1.00 0.00 C ATOM 1409 O GLU A 83 -9.130 -16.589 -14.720 1.00 0.00 O ATOM 1410 CB GLU A 83 -9.408 -14.156 -13.415 1.00 0.00 C ATOM 1411 CG GLU A 83 -10.865 -13.859 -13.777 1.00 0.00 C ATOM 1412 CD GLU A 83 -11.140 -14.313 -15.212 1.00 0.00 C ATOM 1413 OE1 GLU A 83 -10.255 -14.170 -16.038 1.00 0.00 O ATOM 1414 OE2 GLU A 83 -12.233 -14.796 -15.460 1.00 0.00 O ATOM 0 H GLU A 83 -7.205 -15.351 -12.604 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.148 -15.537 -11.894 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.993 -13.335 -12.831 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.807 -14.239 -14.320 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.534 -14.374 -13.087 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.065 -12.792 -13.678 1.00 0.00 H new ATOM 1421 N ALA A 84 -9.881 -17.787 -13.039 1.00 0.00 N ATOM 1422 CA ALA A 84 -10.003 -19.002 -13.897 1.00 0.00 C ATOM 1423 C ALA A 84 -10.802 -18.684 -15.165 1.00 0.00 C ATOM 1424 O ALA A 84 -11.385 -17.627 -15.294 1.00 0.00 O ATOM 1425 CB ALA A 84 -10.747 -20.024 -13.038 1.00 0.00 C ATOM 0 H ALA A 84 -10.159 -17.914 -12.066 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.031 -19.372 -14.222 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.876 -20.948 -13.602 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.172 -20.227 -12.135 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.724 -19.627 -12.764 1.00 0.00 H new ATOM 1431 N ARG A 85 -10.835 -19.595 -16.101 1.00 0.00 N ATOM 1432 CA ARG A 85 -11.598 -19.346 -17.358 1.00 0.00 C ATOM 1433 C ARG A 85 -13.089 -19.613 -17.133 1.00 0.00 C ATOM 1434 O ARG A 85 -13.471 -20.630 -16.589 1.00 0.00 O ATOM 1435 CB ARG A 85 -11.027 -20.336 -18.373 1.00 0.00 C ATOM 1436 CG ARG A 85 -10.571 -19.582 -19.623 1.00 0.00 C ATOM 1437 CD ARG A 85 -9.046 -19.459 -19.617 1.00 0.00 C ATOM 1438 NE ARG A 85 -8.775 -18.048 -19.219 1.00 0.00 N ATOM 1439 CZ ARG A 85 -8.955 -17.064 -20.070 1.00 0.00 C ATOM 1440 NH1 ARG A 85 -9.382 -17.295 -21.286 1.00 0.00 N ATOM 1441 NH2 ARG A 85 -8.709 -15.839 -19.696 1.00 0.00 N ATOM 0 H ARG A 85 -10.367 -20.500 -16.049 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.506 -18.314 -17.698 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.188 -20.877 -17.936 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.781 -21.077 -18.638 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -10.900 -20.109 -20.519 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -11.026 -18.592 -19.650 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.596 -20.161 -18.915 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.628 -19.679 -20.599 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.446 -17.845 -18.275 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.580 -18.250 -21.584 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.517 -16.520 -21.935 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.380 -15.651 -18.749 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -8.846 -15.069 -20.350 1.00 0.00 H new ATOM 1455 N GLU A 86 -13.932 -18.708 -17.547 1.00 0.00 N ATOM 1456 CA GLU A 86 -15.395 -18.911 -17.356 1.00 0.00 C ATOM 1457 C GLU A 86 -15.863 -20.157 -18.112 1.00 0.00 C ATOM 1458 O GLU A 86 -15.516 -20.366 -19.257 1.00 0.00 O ATOM 1459 CB GLU A 86 -16.047 -17.655 -17.933 1.00 0.00 C ATOM 1460 CG GLU A 86 -17.354 -17.372 -17.190 1.00 0.00 C ATOM 1461 CD GLU A 86 -17.659 -15.873 -17.239 1.00 0.00 C ATOM 1462 OE1 GLU A 86 -17.088 -15.199 -18.082 1.00 0.00 O ATOM 1463 OE2 GLU A 86 -18.458 -15.425 -16.435 1.00 0.00 O ATOM 0 H GLU A 86 -13.671 -17.837 -18.009 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.657 -19.062 -16.309 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.371 -16.805 -17.838 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -16.243 -17.790 -18.997 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.171 -17.934 -17.643 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.275 -17.703 -16.155 1.00 0.00 H new ATOM 1470 N GLY A 87 -16.649 -20.985 -17.480 1.00 0.00 N ATOM 1471 CA GLY A 87 -17.138 -22.216 -18.163 1.00 0.00 C ATOM 1472 C GLY A 87 -18.533 -21.965 -18.740 1.00 0.00 C ATOM 1473 O GLY A 87 -19.336 -22.868 -18.861 1.00 0.00 O ATOM 0 H GLY A 87 -16.974 -20.862 -16.521 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -16.450 -22.500 -18.959 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -17.169 -23.047 -17.458 1.00 0.00 H new ATOM 1477 N ALA A 88 -18.826 -20.745 -19.098 1.00 0.00 N ATOM 1478 CA ALA A 88 -20.169 -20.438 -19.668 1.00 0.00 C ATOM 1479 C ALA A 88 -20.347 -21.146 -21.014 1.00 0.00 C ATOM 1480 O ALA A 88 -21.387 -20.962 -21.625 1.00 0.00 O ATOM 1481 CB ALA A 88 -20.180 -18.920 -19.857 1.00 0.00 C ATOM 1482 OXT ALA A 88 -19.441 -21.861 -21.410 1.00 0.00 O ATOM 0 H ALA A 88 -18.194 -19.948 -19.021 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.979 -20.776 -19.022 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -21.139 -18.612 -20.275 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.031 -18.432 -18.894 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -19.379 -18.632 -20.538 1.00 0.00 H new TER 1488 ALA A 88