USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 681 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 11 GLN : amide:sc= -1.29 K(o=-0.44,f=-7.9!) USER MOD Set 1.2: A 77 HIS : no HE2:sc= 0.847 K(o=-0.44,f=-4.2!) USER MOD Set 2.1: A 34 THR OG1 : rot 54:sc= 1.39 USER MOD Set 2.2: A 37 CYS SG : rot -170:sc= 1.12 USER MOD Set 3.1: A 1 MET CE :methyl -163:sc= -0.277 (180deg=-0.758) USER MOD Set 3.2: A 19 HIS : no HD1:sc= 0.871 K(o=0.59,f=-6.2!) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0157 (180deg=-0.00417) USER MOD Single : A 3 SER OG : rot 42:sc= -4.6! USER MOD Single : A 8 LYS NZ :NH3+ 134:sc= 0.84 (180deg=-0.0704) USER MOD Single : A 9 CYS SG : rot 42:sc= 0.0999 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 157:sc= -5.29! (180deg=-5.82!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= -0.0311 (180deg=-0.182) USER MOD Single : A 52 GLN : amide:sc= -0.0653 K(o=-0.065,f=-0.79) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.0855 F(o=-1.6!,f=-0.086) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 43:sc= 0.0929 USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.12) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -155:sc= -0.193 (180deg=-0.875) USER MOD Single : A 76 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.11) USER MOD Single : A 78 HIS : no HE2:sc= 0.661 K(o=0.66,f=-2.1!) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 81 HIS : no HD1:sc=-0.00771 X(o=-0.0077,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.063 6.520 12.733 1.00 63.44 N ATOM 2 CA MET A 1 -1.139 6.447 11.256 1.00 44.14 C ATOM 3 C MET A 1 -1.761 5.130 10.815 1.00 41.52 C ATOM 4 O MET A 1 -1.517 4.084 11.421 1.00 31.22 O ATOM 5 CB MET A 1 0.256 6.584 10.626 1.00 45.25 C ATOM 6 CG MET A 1 1.242 5.511 11.062 1.00 14.42 C ATOM 7 SD MET A 1 2.771 5.531 10.106 1.00 24.01 S ATOM 8 CE MET A 1 2.155 5.058 8.491 1.00 12.44 C ATOM 0 H1 MET A 1 -0.116 6.842 13.016 1.00 63.44 H new ATOM 0 H2 MET A 1 -1.776 7.190 13.085 1.00 63.44 H new ATOM 0 H3 MET A 1 -1.244 5.579 13.137 1.00 63.44 H new ATOM 0 HA MET A 1 -1.764 7.273 10.918 1.00 44.14 H new ATOM 0 HB2 MET A 1 0.158 6.553 9.541 1.00 45.25 H new ATOM 0 HB3 MET A 1 0.664 7.562 10.881 1.00 45.25 H new ATOM 0 HG2 MET A 1 1.478 5.649 12.117 1.00 14.42 H new ATOM 0 HG3 MET A 1 0.772 4.532 10.965 1.00 14.42 H new ATOM 0 HE1 MET A 1 2.986 4.732 7.866 1.00 12.44 H new ATOM 0 HE2 MET A 1 1.440 4.242 8.599 1.00 12.44 H new ATOM 0 HE3 MET A 1 1.663 5.912 8.025 1.00 12.44 H new ATOM 18 N PHE A 2 -2.573 5.181 9.771 1.00 70.23 N ATOM 19 CA PHE A 2 -3.115 3.971 9.178 1.00 2.55 C ATOM 20 C PHE A 2 -2.112 3.420 8.174 1.00 30.14 C ATOM 21 O PHE A 2 -1.844 4.035 7.140 1.00 2.14 O ATOM 22 CB PHE A 2 -4.465 4.240 8.508 1.00 71.21 C ATOM 23 CG PHE A 2 -5.138 2.995 7.995 1.00 0.14 C ATOM 24 CD1 PHE A 2 -5.669 2.065 8.878 1.00 4.30 C ATOM 25 CD2 PHE A 2 -5.236 2.752 6.636 1.00 21.41 C ATOM 26 CE1 PHE A 2 -6.284 0.920 8.411 1.00 2.44 C ATOM 27 CE2 PHE A 2 -5.853 1.609 6.166 1.00 64.42 C ATOM 28 CZ PHE A 2 -6.375 0.691 7.054 1.00 21.44 C ATOM 0 H PHE A 2 -2.870 6.045 9.318 1.00 70.23 H new ATOM 0 HA PHE A 2 -3.286 3.234 9.963 1.00 2.55 H new ATOM 0 HB2 PHE A 2 -5.125 4.732 9.222 1.00 71.21 H new ATOM 0 HB3 PHE A 2 -4.319 4.933 7.679 1.00 71.21 H new ATOM 0 HD1 PHE A 2 -5.600 2.239 9.942 1.00 4.30 H new ATOM 0 HD2 PHE A 2 -4.826 3.464 5.935 1.00 21.41 H new ATOM 0 HE1 PHE A 2 -6.694 0.204 9.108 1.00 2.44 H new ATOM 0 HE2 PHE A 2 -5.927 1.434 5.103 1.00 64.42 H new ATOM 0 HZ PHE A 2 -6.854 -0.205 6.687 1.00 21.44 H new ATOM 38 N SER A 3 -1.541 2.278 8.501 1.00 34.33 N ATOM 39 CA SER A 3 -0.468 1.715 7.709 1.00 12.42 C ATOM 40 C SER A 3 -0.991 0.827 6.586 1.00 21.52 C ATOM 41 O SER A 3 -2.041 0.194 6.708 1.00 65.31 O ATOM 42 CB SER A 3 0.471 0.920 8.615 1.00 61.32 C ATOM 43 OG SER A 3 1.423 0.195 7.860 1.00 22.44 O ATOM 0 H SER A 3 -1.804 1.720 9.313 1.00 34.33 H new ATOM 0 HA SER A 3 0.074 2.538 7.244 1.00 12.42 H new ATOM 0 HB2 SER A 3 0.984 1.599 9.296 1.00 61.32 H new ATOM 0 HB3 SER A 3 -0.109 0.232 9.229 1.00 61.32 H new ATOM 0 HG SER A 3 1.756 0.756 7.128 1.00 22.44 H new ATOM 49 N LEU A 4 -0.229 0.786 5.497 1.00 23.02 N ATOM 50 CA LEU A 4 -0.529 -0.073 4.359 1.00 35.02 C ATOM 51 C LEU A 4 -0.462 -1.545 4.767 1.00 55.14 C ATOM 52 O LEU A 4 -1.046 -2.410 4.117 1.00 14.03 O ATOM 53 CB LEU A 4 0.477 0.208 3.232 1.00 73.23 C ATOM 54 CG LEU A 4 0.214 -0.501 1.900 1.00 25.52 C ATOM 55 CD1 LEU A 4 -1.060 0.013 1.259 1.00 74.52 C ATOM 56 CD2 LEU A 4 1.393 -0.314 0.959 1.00 12.30 C ATOM 0 H LEU A 4 0.614 1.348 5.380 1.00 23.02 H new ATOM 0 HA LEU A 4 -1.539 0.139 4.008 1.00 35.02 H new ATOM 0 HB2 LEU A 4 0.497 1.283 3.050 1.00 73.23 H new ATOM 0 HB3 LEU A 4 1.470 -0.075 3.581 1.00 73.23 H new ATOM 0 HG LEU A 4 0.091 -1.566 2.098 1.00 25.52 H new ATOM 0 HD11 LEU A 4 -1.227 -0.505 0.314 1.00 74.52 H new ATOM 0 HD12 LEU A 4 -1.902 -0.170 1.926 1.00 74.52 H new ATOM 0 HD13 LEU A 4 -0.968 1.083 1.075 1.00 74.52 H new ATOM 0 HD21 LEU A 4 1.191 -0.824 0.017 1.00 12.30 H new ATOM 0 HD22 LEU A 4 1.544 0.749 0.771 1.00 12.30 H new ATOM 0 HD23 LEU A 4 2.291 -0.733 1.413 1.00 12.30 H new ATOM 68 N ARG A 5 0.239 -1.819 5.865 1.00 44.42 N ATOM 69 CA ARG A 5 0.457 -3.191 6.314 1.00 63.12 C ATOM 70 C ARG A 5 -0.785 -3.746 7.020 1.00 61.13 C ATOM 71 O ARG A 5 -0.908 -4.956 7.213 1.00 60.42 O ATOM 72 CB ARG A 5 1.661 -3.258 7.266 1.00 34.15 C ATOM 73 CG ARG A 5 1.322 -2.862 8.691 1.00 43.34 C ATOM 74 CD ARG A 5 2.418 -3.252 9.666 1.00 5.13 C ATOM 75 NE ARG A 5 2.011 -3.027 11.051 1.00 32.15 N ATOM 76 CZ ARG A 5 2.777 -3.289 12.109 1.00 10.35 C ATOM 77 NH1 ARG A 5 4.033 -3.695 11.949 1.00 34.14 N ATOM 78 NH2 ARG A 5 2.291 -3.106 13.332 1.00 51.01 N ATOM 0 H ARG A 5 0.666 -1.109 6.460 1.00 44.42 H new ATOM 0 HA ARG A 5 0.658 -3.800 5.433 1.00 63.12 H new ATOM 0 HB2 ARG A 5 2.061 -4.272 7.263 1.00 34.15 H new ATOM 0 HB3 ARG A 5 2.448 -2.603 6.892 1.00 34.15 H new ATOM 0 HG2 ARG A 5 1.160 -1.785 8.739 1.00 43.34 H new ATOM 0 HG3 ARG A 5 0.387 -3.338 8.987 1.00 43.34 H new ATOM 0 HD2 ARG A 5 2.672 -4.303 9.527 1.00 5.13 H new ATOM 0 HD3 ARG A 5 3.318 -2.675 9.452 1.00 5.13 H new ATOM 0 HE ARG A 5 1.080 -2.645 11.219 1.00 32.15 H new ATOM 0 HH11 ARG A 5 4.417 -3.808 11.011 1.00 34.14 H new ATOM 0 HH12 ARG A 5 4.613 -3.893 12.765 1.00 34.14 H new ATOM 0 HH21 ARG A 5 1.337 -2.767 13.456 1.00 51.01 H new ATOM 0 HH22 ARG A 5 2.872 -3.305 14.147 1.00 51.01 H new ATOM 92 N ASP A 6 -1.702 -2.863 7.408 1.00 30.42 N ATOM 93 CA ASP A 6 -2.874 -3.278 8.177 1.00 44.33 C ATOM 94 C ASP A 6 -4.007 -3.704 7.252 1.00 24.02 C ATOM 95 O ASP A 6 -4.952 -4.375 7.674 1.00 64.23 O ATOM 96 CB ASP A 6 -3.350 -2.154 9.098 1.00 74.43 C ATOM 97 CG ASP A 6 -4.440 -2.614 10.051 1.00 11.24 C ATOM 98 OD1 ASP A 6 -5.628 -2.321 9.800 1.00 72.03 O ATOM 99 OD2 ASP A 6 -4.106 -3.279 11.057 1.00 64.33 O ATOM 0 H ASP A 6 -1.658 -1.864 7.205 1.00 30.42 H new ATOM 0 HA ASP A 6 -2.582 -4.131 8.790 1.00 44.33 H new ATOM 0 HB2 ASP A 6 -2.505 -1.775 9.672 1.00 74.43 H new ATOM 0 HB3 ASP A 6 -3.723 -1.326 8.495 1.00 74.43 H new ATOM 105 N ALA A 7 -3.898 -3.326 5.988 1.00 71.32 N ATOM 106 CA ALA A 7 -4.905 -3.678 5.001 1.00 1.31 C ATOM 107 C ALA A 7 -4.976 -5.193 4.817 1.00 55.03 C ATOM 108 O ALA A 7 -4.004 -5.908 5.070 1.00 34.21 O ATOM 109 CB ALA A 7 -4.610 -2.984 3.683 1.00 3.43 C ATOM 0 H ALA A 7 -3.122 -2.775 5.622 1.00 71.32 H new ATOM 0 HA ALA A 7 -5.877 -3.340 5.359 1.00 1.31 H new ATOM 0 HB1 ALA A 7 -5.371 -3.255 2.951 1.00 3.43 H new ATOM 0 HB2 ALA A 7 -4.617 -1.904 3.831 1.00 3.43 H new ATOM 0 HB3 ALA A 7 -3.630 -3.294 3.320 1.00 3.43 H new ATOM 115 N LYS A 8 -6.131 -5.681 4.391 1.00 62.12 N ATOM 116 CA LYS A 8 -6.352 -7.116 4.271 1.00 23.12 C ATOM 117 C LYS A 8 -6.597 -7.516 2.821 1.00 35.53 C ATOM 118 O LYS A 8 -6.792 -6.659 1.959 1.00 63.04 O ATOM 119 CB LYS A 8 -7.535 -7.539 5.147 1.00 14.34 C ATOM 120 CG LYS A 8 -7.290 -7.342 6.636 1.00 14.43 C ATOM 121 CD LYS A 8 -6.188 -8.258 7.140 1.00 2.23 C ATOM 122 CE LYS A 8 -5.935 -8.071 8.627 1.00 75.24 C ATOM 123 NZ LYS A 8 -5.270 -6.776 8.927 1.00 41.31 N ATOM 0 H LYS A 8 -6.930 -5.106 4.123 1.00 62.12 H new ATOM 0 HA LYS A 8 -5.453 -7.629 4.613 1.00 23.12 H new ATOM 0 HB2 LYS A 8 -8.416 -6.969 4.853 1.00 14.34 H new ATOM 0 HB3 LYS A 8 -7.758 -8.589 4.960 1.00 14.34 H new ATOM 0 HG2 LYS A 8 -7.019 -6.304 6.828 1.00 14.43 H new ATOM 0 HG3 LYS A 8 -8.210 -7.538 7.187 1.00 14.43 H new ATOM 0 HD2 LYS A 8 -6.460 -9.295 6.945 1.00 2.23 H new ATOM 0 HD3 LYS A 8 -5.270 -8.060 6.587 1.00 2.23 H new ATOM 0 HE2 LYS A 8 -6.882 -8.124 9.164 1.00 75.24 H new ATOM 0 HE3 LYS A 8 -5.315 -8.889 8.994 1.00 75.24 H new ATOM 0 HZ1 LYS A 8 -5.748 -6.318 9.729 1.00 41.31 H new ATOM 0 HZ2 LYS A 8 -4.273 -6.946 9.169 1.00 41.31 H new ATOM 0 HZ3 LYS A 8 -5.324 -6.157 8.093 1.00 41.31 H new ATOM 137 N CYS A 9 -6.594 -8.819 2.564 1.00 22.21 N ATOM 138 CA CYS A 9 -6.783 -9.338 1.217 1.00 35.11 C ATOM 139 C CYS A 9 -8.190 -9.030 0.701 1.00 74.11 C ATOM 140 O CYS A 9 -9.182 -9.574 1.188 1.00 41.00 O ATOM 141 CB CYS A 9 -6.515 -10.845 1.196 1.00 55.20 C ATOM 142 SG CYS A 9 -7.323 -11.757 2.534 1.00 62.34 S ATOM 0 H CYS A 9 -6.462 -9.538 3.276 1.00 22.21 H new ATOM 0 HA CYS A 9 -6.073 -8.845 0.553 1.00 35.11 H new ATOM 0 HB2 CYS A 9 -6.850 -11.250 0.241 1.00 55.20 H new ATOM 0 HB3 CYS A 9 -5.440 -11.013 1.254 1.00 55.20 H new ATOM 0 HG CYS A 9 -8.532 -11.308 2.697 1.00 62.34 H new ATOM 148 N GLY A 10 -8.265 -8.140 -0.275 1.00 43.11 N ATOM 149 CA GLY A 10 -9.544 -7.733 -0.820 1.00 32.30 C ATOM 150 C GLY A 10 -9.842 -6.277 -0.530 1.00 64.03 C ATOM 151 O GLY A 10 -10.765 -5.698 -1.100 1.00 72.40 O ATOM 0 H GLY A 10 -7.457 -7.688 -0.703 1.00 43.11 H new ATOM 0 HA2 GLY A 10 -9.549 -7.897 -1.898 1.00 32.30 H new ATOM 0 HA3 GLY A 10 -10.333 -8.356 -0.399 1.00 32.30 H new ATOM 155 N GLN A 11 -9.049 -5.683 0.352 1.00 33.23 N ATOM 156 CA GLN A 11 -9.242 -4.294 0.741 1.00 11.04 C ATOM 157 C GLN A 11 -8.546 -3.348 -0.224 1.00 1.03 C ATOM 158 O GLN A 11 -7.484 -3.658 -0.770 1.00 23.45 O ATOM 159 CB GLN A 11 -8.720 -4.051 2.161 1.00 15.12 C ATOM 160 CG GLN A 11 -9.575 -4.670 3.259 1.00 53.33 C ATOM 161 CD GLN A 11 -10.935 -4.007 3.403 1.00 44.20 C ATOM 162 OE1 GLN A 11 -11.509 -3.509 2.434 1.00 42.42 O ATOM 163 NE2 GLN A 11 -11.447 -3.971 4.623 1.00 62.53 N ATOM 0 H GLN A 11 -8.264 -6.144 0.812 1.00 33.23 H new ATOM 0 HA GLN A 11 -10.313 -4.094 0.713 1.00 11.04 H new ATOM 0 HB2 GLN A 11 -7.708 -4.450 2.237 1.00 15.12 H new ATOM 0 HB3 GLN A 11 -8.653 -2.977 2.332 1.00 15.12 H new ATOM 0 HG2 GLN A 11 -9.715 -5.730 3.048 1.00 53.33 H new ATOM 0 HG3 GLN A 11 -9.042 -4.602 4.208 1.00 53.33 H new ATOM 0 HE21 GLN A 11 -10.941 -4.395 5.401 1.00 62.53 H new ATOM 0 HE22 GLN A 11 -12.347 -3.519 4.785 1.00 62.53 H new ATOM 172 N THR A 12 -9.160 -2.197 -0.428 1.00 34.23 N ATOM 173 CA THR A 12 -8.572 -1.142 -1.226 1.00 32.14 C ATOM 174 C THR A 12 -8.160 0.006 -0.311 1.00 65.41 C ATOM 175 O THR A 12 -8.917 0.392 0.578 1.00 65.52 O ATOM 176 CB THR A 12 -9.571 -0.622 -2.280 1.00 23.10 C ATOM 177 OG1 THR A 12 -10.171 -1.725 -2.973 1.00 22.11 O ATOM 178 CG2 THR A 12 -8.881 0.287 -3.283 1.00 62.55 C ATOM 0 H THR A 12 -10.078 -1.970 -0.045 1.00 34.23 H new ATOM 0 HA THR A 12 -7.702 -1.543 -1.746 1.00 32.14 H new ATOM 0 HB THR A 12 -10.341 -0.050 -1.762 1.00 23.10 H new ATOM 0 HG1 THR A 12 -10.805 -1.387 -3.639 1.00 22.11 H new ATOM 0 HG21 THR A 12 -9.608 0.640 -4.015 1.00 62.55 H new ATOM 0 HG22 THR A 12 -8.447 1.141 -2.762 1.00 62.55 H new ATOM 0 HG23 THR A 12 -8.092 -0.266 -3.793 1.00 62.55 H new ATOM 186 N VAL A 13 -6.959 0.525 -0.501 1.00 42.23 N ATOM 187 CA VAL A 13 -6.479 1.645 0.294 1.00 44.01 C ATOM 188 C VAL A 13 -5.830 2.691 -0.600 1.00 30.52 C ATOM 189 O VAL A 13 -5.290 2.362 -1.652 1.00 4.31 O ATOM 190 CB VAL A 13 -5.471 1.192 1.372 1.00 63.04 C ATOM 191 CG1 VAL A 13 -6.171 0.413 2.474 1.00 64.51 C ATOM 192 CG2 VAL A 13 -4.370 0.351 0.753 1.00 34.44 C ATOM 0 H VAL A 13 -6.297 0.189 -1.200 1.00 42.23 H new ATOM 0 HA VAL A 13 -7.344 2.078 0.797 1.00 44.01 H new ATOM 0 HB VAL A 13 -5.024 2.084 1.812 1.00 63.04 H new ATOM 0 HG11 VAL A 13 -5.441 0.104 3.222 1.00 64.51 H new ATOM 0 HG12 VAL A 13 -6.926 1.044 2.943 1.00 64.51 H new ATOM 0 HG13 VAL A 13 -6.649 -0.469 2.048 1.00 64.51 H new ATOM 0 HG21 VAL A 13 -3.669 0.041 1.528 1.00 34.44 H new ATOM 0 HG22 VAL A 13 -4.806 -0.531 0.284 1.00 34.44 H new ATOM 0 HG23 VAL A 13 -3.843 0.938 0.001 1.00 34.44 H new ATOM 202 N LYS A 14 -5.904 3.945 -0.195 1.00 62.54 N ATOM 203 CA LYS A 14 -5.329 5.025 -0.973 1.00 32.42 C ATOM 204 C LYS A 14 -4.140 5.634 -0.239 1.00 63.35 C ATOM 205 O LYS A 14 -4.256 6.027 0.923 1.00 71.43 O ATOM 206 CB LYS A 14 -6.398 6.080 -1.250 1.00 12.34 C ATOM 207 CG LYS A 14 -5.915 7.249 -2.088 1.00 62.12 C ATOM 208 CD LYS A 14 -7.072 8.141 -2.503 1.00 74.41 C ATOM 209 CE LYS A 14 -7.815 8.701 -1.301 1.00 74.51 C ATOM 210 NZ LYS A 14 -9.047 9.429 -1.703 1.00 44.44 N ATOM 0 H LYS A 14 -6.357 4.241 0.670 1.00 62.54 H new ATOM 0 HA LYS A 14 -4.969 4.632 -1.924 1.00 32.42 H new ATOM 0 HB2 LYS A 14 -7.238 5.606 -1.758 1.00 12.34 H new ATOM 0 HB3 LYS A 14 -6.773 6.459 -0.300 1.00 12.34 H new ATOM 0 HG2 LYS A 14 -5.189 7.831 -1.521 1.00 62.12 H new ATOM 0 HG3 LYS A 14 -5.403 6.877 -2.975 1.00 62.12 H new ATOM 0 HD2 LYS A 14 -6.696 8.963 -3.113 1.00 74.41 H new ATOM 0 HD3 LYS A 14 -7.764 7.573 -3.125 1.00 74.41 H new ATOM 0 HE2 LYS A 14 -8.078 7.887 -0.625 1.00 74.51 H new ATOM 0 HE3 LYS A 14 -7.159 9.374 -0.749 1.00 74.51 H new ATOM 0 HZ1 LYS A 14 -9.526 9.796 -0.856 1.00 44.44 H new ATOM 0 HZ2 LYS A 14 -8.794 10.221 -2.328 1.00 44.44 H new ATOM 0 HZ3 LYS A 14 -9.685 8.780 -2.207 1.00 44.44 H new ATOM 224 N VAL A 15 -2.999 5.691 -0.917 1.00 54.33 N ATOM 225 CA VAL A 15 -1.782 6.241 -0.331 1.00 41.14 C ATOM 226 C VAL A 15 -1.888 7.753 -0.184 1.00 33.43 C ATOM 227 O VAL A 15 -2.236 8.454 -1.138 1.00 72.33 O ATOM 228 CB VAL A 15 -0.539 5.906 -1.184 1.00 21.02 C ATOM 229 CG1 VAL A 15 0.724 6.476 -0.557 1.00 11.10 C ATOM 230 CG2 VAL A 15 -0.409 4.403 -1.371 1.00 34.43 C ATOM 0 H VAL A 15 -2.891 5.362 -1.876 1.00 54.33 H new ATOM 0 HA VAL A 15 -1.668 5.784 0.652 1.00 41.14 H new ATOM 0 HB VAL A 15 -0.668 6.368 -2.163 1.00 21.02 H new ATOM 0 HG11 VAL A 15 1.584 6.225 -1.178 1.00 11.10 H new ATOM 0 HG12 VAL A 15 0.635 7.560 -0.481 1.00 11.10 H new ATOM 0 HG13 VAL A 15 0.859 6.052 0.438 1.00 11.10 H new ATOM 0 HG21 VAL A 15 0.472 4.186 -1.975 1.00 34.43 H new ATOM 0 HG22 VAL A 15 -0.309 3.923 -0.398 1.00 34.43 H new ATOM 0 HG23 VAL A 15 -1.297 4.021 -1.875 1.00 34.43 H new ATOM 240 N VAL A 16 -1.592 8.249 1.009 1.00 3.01 N ATOM 241 CA VAL A 16 -1.639 9.679 1.268 1.00 54.12 C ATOM 242 C VAL A 16 -0.262 10.233 1.630 1.00 11.02 C ATOM 243 O VAL A 16 0.147 11.268 1.109 1.00 13.43 O ATOM 244 CB VAL A 16 -2.656 10.037 2.381 1.00 43.13 C ATOM 245 CG1 VAL A 16 -4.076 9.996 1.838 1.00 34.45 C ATOM 246 CG2 VAL A 16 -2.526 9.102 3.576 1.00 72.55 C ATOM 0 H VAL A 16 -1.317 7.682 1.811 1.00 3.01 H new ATOM 0 HA VAL A 16 -1.970 10.145 0.340 1.00 54.12 H new ATOM 0 HB VAL A 16 -2.433 11.049 2.718 1.00 43.13 H new ATOM 0 HG11 VAL A 16 -4.777 10.250 2.633 1.00 34.45 H new ATOM 0 HG12 VAL A 16 -4.175 10.714 1.024 1.00 34.45 H new ATOM 0 HG13 VAL A 16 -4.295 8.995 1.467 1.00 34.45 H new ATOM 0 HG21 VAL A 16 -3.254 9.382 4.338 1.00 72.55 H new ATOM 0 HG22 VAL A 16 -2.710 8.076 3.257 1.00 72.55 H new ATOM 0 HG23 VAL A 16 -1.521 9.178 3.990 1.00 72.55 H new ATOM 256 N LYS A 17 0.449 9.553 2.520 1.00 61.41 N ATOM 257 CA LYS A 17 1.766 10.010 2.951 1.00 30.03 C ATOM 258 C LYS A 17 2.782 8.879 2.862 1.00 45.20 C ATOM 259 O LYS A 17 2.422 7.703 2.889 1.00 10.14 O ATOM 260 CB LYS A 17 1.728 10.560 4.389 1.00 41.24 C ATOM 261 CG LYS A 17 1.266 12.010 4.511 1.00 0.13 C ATOM 262 CD LYS A 17 -0.203 12.175 4.173 1.00 4.31 C ATOM 263 CE LYS A 17 -0.649 13.620 4.300 1.00 0.22 C ATOM 264 NZ LYS A 17 -2.051 13.805 3.848 1.00 44.44 N ATOM 0 H LYS A 17 0.138 8.685 2.957 1.00 61.41 H new ATOM 0 HA LYS A 17 2.066 10.816 2.282 1.00 30.03 H new ATOM 0 HB2 LYS A 17 1.066 9.932 4.985 1.00 41.24 H new ATOM 0 HB3 LYS A 17 2.725 10.474 4.822 1.00 41.24 H new ATOM 0 HG2 LYS A 17 1.445 12.362 5.527 1.00 0.13 H new ATOM 0 HG3 LYS A 17 1.862 12.636 3.847 1.00 0.13 H new ATOM 0 HD2 LYS A 17 -0.384 11.826 3.156 1.00 4.31 H new ATOM 0 HD3 LYS A 17 -0.801 11.550 4.836 1.00 4.31 H new ATOM 0 HE2 LYS A 17 -0.556 13.939 5.338 1.00 0.22 H new ATOM 0 HE3 LYS A 17 0.010 14.257 3.711 1.00 0.22 H new ATOM 0 HZ1 LYS A 17 -2.320 14.805 3.950 1.00 44.44 H new ATOM 0 HZ2 LYS A 17 -2.134 13.524 2.850 1.00 44.44 H new ATOM 0 HZ3 LYS A 17 -2.683 13.216 4.427 1.00 44.44 H new ATOM 278 N LEU A 18 4.049 9.241 2.760 1.00 2.43 N ATOM 279 CA LEU A 18 5.125 8.268 2.682 1.00 34.33 C ATOM 280 C LEU A 18 6.217 8.631 3.679 1.00 12.31 C ATOM 281 O LEU A 18 6.798 9.713 3.603 1.00 73.44 O ATOM 282 CB LEU A 18 5.702 8.224 1.264 1.00 2.21 C ATOM 283 CG LEU A 18 4.741 7.742 0.173 1.00 41.44 C ATOM 284 CD1 LEU A 18 5.392 7.877 -1.196 1.00 23.12 C ATOM 285 CD2 LEU A 18 4.338 6.298 0.423 1.00 21.00 C ATOM 0 H LEU A 18 4.360 10.212 2.729 1.00 2.43 H new ATOM 0 HA LEU A 18 4.729 7.282 2.926 1.00 34.33 H new ATOM 0 HB2 LEU A 18 6.050 9.223 1.001 1.00 2.21 H new ATOM 0 HB3 LEU A 18 6.576 7.573 1.267 1.00 2.21 H new ATOM 0 HG LEU A 18 3.845 8.362 0.199 1.00 41.44 H new ATOM 0 HD11 LEU A 18 4.700 7.531 -1.964 1.00 23.12 H new ATOM 0 HD12 LEU A 18 5.643 8.922 -1.378 1.00 23.12 H new ATOM 0 HD13 LEU A 18 6.300 7.274 -1.228 1.00 23.12 H new ATOM 0 HD21 LEU A 18 3.655 5.970 -0.361 1.00 21.00 H new ATOM 0 HD22 LEU A 18 5.226 5.666 0.418 1.00 21.00 H new ATOM 0 HD23 LEU A 18 3.843 6.221 1.391 1.00 21.00 H new ATOM 297 N HIS A 19 6.469 7.746 4.631 1.00 3.13 N ATOM 298 CA HIS A 19 7.502 7.979 5.633 1.00 74.45 C ATOM 299 C HIS A 19 8.826 7.412 5.140 1.00 62.12 C ATOM 300 O HIS A 19 8.884 6.804 4.069 1.00 10.21 O ATOM 301 CB HIS A 19 7.128 7.325 6.971 1.00 65.45 C ATOM 302 CG HIS A 19 5.839 7.808 7.565 1.00 45.35 C ATOM 303 ND1 HIS A 19 5.769 8.456 8.777 1.00 33.44 N ATOM 304 CD2 HIS A 19 4.560 7.706 7.123 1.00 61.10 C ATOM 305 CE1 HIS A 19 4.510 8.729 9.055 1.00 0.14 C ATOM 306 NE2 HIS A 19 3.758 8.287 8.070 1.00 24.20 N ATOM 0 H HIS A 19 5.974 6.860 4.732 1.00 3.13 H new ATOM 0 HA HIS A 19 7.594 9.054 5.790 1.00 74.45 H new ATOM 0 HB2 HIS A 19 7.065 6.246 6.828 1.00 65.45 H new ATOM 0 HB3 HIS A 19 7.932 7.505 7.685 1.00 65.45 H new ATOM 0 HD2 HIS A 19 4.235 7.252 6.198 1.00 61.10 H new ATOM 0 HE1 HIS A 19 4.155 9.231 9.943 1.00 0.14 H new ATOM 0 HE2 HIS A 19 2.742 8.364 8.019 1.00 24.20 H new ATOM 315 N GLY A 20 9.885 7.614 5.905 1.00 54.15 N ATOM 316 CA GLY A 20 11.167 7.056 5.538 1.00 64.15 C ATOM 317 C GLY A 20 12.234 8.111 5.360 1.00 74.44 C ATOM 318 O GLY A 20 11.987 9.300 5.565 1.00 31.23 O ATOM 0 H GLY A 20 9.880 8.153 6.771 1.00 54.15 H new ATOM 0 HA2 GLY A 20 11.484 6.350 6.306 1.00 64.15 H new ATOM 0 HA3 GLY A 20 11.061 6.492 4.611 1.00 64.15 H new ATOM 322 N THR A 21 13.416 7.668 4.964 1.00 74.32 N ATOM 323 CA THR A 21 14.552 8.552 4.766 1.00 61.13 C ATOM 324 C THR A 21 14.422 9.363 3.475 1.00 71.15 C ATOM 325 O THR A 21 14.076 10.546 3.510 1.00 71.33 O ATOM 326 CB THR A 21 15.862 7.746 4.749 1.00 11.15 C ATOM 327 OG1 THR A 21 15.679 6.541 3.989 1.00 21.40 O ATOM 328 CG2 THR A 21 16.307 7.395 6.160 1.00 13.22 C ATOM 0 H THR A 21 13.615 6.686 4.771 1.00 74.32 H new ATOM 0 HA THR A 21 14.570 9.252 5.601 1.00 61.13 H new ATOM 0 HB THR A 21 16.635 8.361 4.287 1.00 11.15 H new ATOM 0 HG1 THR A 21 16.516 6.031 3.979 1.00 21.40 H new ATOM 0 HG21 THR A 21 17.235 6.825 6.118 1.00 13.22 H new ATOM 0 HG22 THR A 21 16.469 8.311 6.729 1.00 13.22 H new ATOM 0 HG23 THR A 21 15.536 6.797 6.646 1.00 13.22 H new ATOM 336 N GLY A 22 14.696 8.734 2.337 1.00 50.34 N ATOM 337 CA GLY A 22 14.586 9.428 1.067 1.00 43.12 C ATOM 338 C GLY A 22 14.595 8.486 -0.120 1.00 40.43 C ATOM 339 O GLY A 22 13.639 8.451 -0.898 1.00 11.40 O ATOM 0 H GLY A 22 14.991 7.760 2.271 1.00 50.34 H new ATOM 0 HA2 GLY A 22 13.665 10.011 1.055 1.00 43.12 H new ATOM 0 HA3 GLY A 22 15.411 10.134 0.971 1.00 43.12 H new ATOM 343 N ALA A 23 15.664 7.707 -0.252 1.00 71.14 N ATOM 344 CA ALA A 23 15.810 6.779 -1.368 1.00 13.43 C ATOM 345 C ALA A 23 14.717 5.719 -1.333 1.00 14.32 C ATOM 346 O ALA A 23 14.246 5.264 -2.376 1.00 2.10 O ATOM 347 CB ALA A 23 17.185 6.128 -1.345 1.00 24.33 C ATOM 0 H ALA A 23 16.445 7.700 0.404 1.00 71.14 H new ATOM 0 HA ALA A 23 15.711 7.342 -2.296 1.00 13.43 H new ATOM 0 HB1 ALA A 23 17.275 5.439 -2.185 1.00 24.33 H new ATOM 0 HB2 ALA A 23 17.953 6.897 -1.422 1.00 24.33 H new ATOM 0 HB3 ALA A 23 17.313 5.580 -0.411 1.00 24.33 H new ATOM 353 N LEU A 24 14.314 5.341 -0.123 1.00 3.23 N ATOM 354 CA LEU A 24 13.206 4.408 0.063 1.00 2.43 C ATOM 355 C LEU A 24 11.937 4.957 -0.583 1.00 60.35 C ATOM 356 O LEU A 24 11.219 4.235 -1.272 1.00 43.24 O ATOM 357 CB LEU A 24 12.969 4.153 1.555 1.00 22.13 C ATOM 358 CG LEU A 24 11.775 3.251 1.885 1.00 73.51 C ATOM 359 CD1 LEU A 24 11.997 1.842 1.361 1.00 72.02 C ATOM 360 CD2 LEU A 24 11.528 3.228 3.381 1.00 12.24 C ATOM 0 H LEU A 24 14.739 5.667 0.745 1.00 3.23 H new ATOM 0 HA LEU A 24 13.464 3.464 -0.417 1.00 2.43 H new ATOM 0 HB2 LEU A 24 13.869 3.705 1.977 1.00 22.13 H new ATOM 0 HB3 LEU A 24 12.827 5.112 2.052 1.00 22.13 H new ATOM 0 HG LEU A 24 10.893 3.660 1.392 1.00 73.51 H new ATOM 0 HD11 LEU A 24 11.135 1.222 1.608 1.00 72.02 H new ATOM 0 HD12 LEU A 24 12.124 1.872 0.279 1.00 72.02 H new ATOM 0 HD13 LEU A 24 12.891 1.420 1.820 1.00 72.02 H new ATOM 0 HD21 LEU A 24 10.677 2.583 3.599 1.00 12.24 H new ATOM 0 HD22 LEU A 24 12.413 2.846 3.890 1.00 12.24 H new ATOM 0 HD23 LEU A 24 11.317 4.239 3.730 1.00 12.24 H new ATOM 372 N LYS A 25 11.687 6.244 -0.375 1.00 13.33 N ATOM 373 CA LYS A 25 10.521 6.904 -0.947 1.00 14.03 C ATOM 374 C LYS A 25 10.588 6.876 -2.472 1.00 31.11 C ATOM 375 O LYS A 25 9.597 6.588 -3.138 1.00 21.10 O ATOM 376 CB LYS A 25 10.428 8.346 -0.438 1.00 5.51 C ATOM 377 CG LYS A 25 10.205 8.442 1.063 1.00 32.43 C ATOM 378 CD LYS A 25 10.134 9.887 1.529 1.00 71.20 C ATOM 379 CE LYS A 25 9.856 9.973 3.024 1.00 11.01 C ATOM 380 NZ LYS A 25 9.746 11.378 3.495 1.00 52.51 N ATOM 0 H LYS A 25 12.280 6.854 0.189 1.00 13.33 H new ATOM 0 HA LYS A 25 9.626 6.367 -0.634 1.00 14.03 H new ATOM 0 HB2 LYS A 25 11.345 8.875 -0.696 1.00 5.51 H new ATOM 0 HB3 LYS A 25 9.612 8.853 -0.953 1.00 5.51 H new ATOM 0 HG2 LYS A 25 9.281 7.928 1.327 1.00 32.43 H new ATOM 0 HG3 LYS A 25 11.014 7.931 1.585 1.00 32.43 H new ATOM 0 HD2 LYS A 25 11.073 10.391 1.302 1.00 71.20 H new ATOM 0 HD3 LYS A 25 9.351 10.410 0.981 1.00 71.20 H new ATOM 0 HE2 LYS A 25 8.931 9.442 3.251 1.00 11.01 H new ATOM 0 HE3 LYS A 25 10.654 9.470 3.570 1.00 11.01 H new ATOM 0 HZ1 LYS A 25 9.557 11.388 4.518 1.00 52.51 H new ATOM 0 HZ2 LYS A 25 10.637 11.879 3.303 1.00 52.51 H new ATOM 0 HZ3 LYS A 25 8.967 11.852 2.994 1.00 52.51 H new ATOM 394 N ARG A 26 11.771 7.157 -3.012 1.00 64.55 N ATOM 395 CA ARG A 26 12.004 7.077 -4.453 1.00 75.01 C ATOM 396 C ARG A 26 11.688 5.675 -4.974 1.00 42.43 C ATOM 397 O ARG A 26 10.998 5.517 -5.982 1.00 74.11 O ATOM 398 CB ARG A 26 13.460 7.453 -4.766 1.00 70.42 C ATOM 399 CG ARG A 26 13.933 7.037 -6.152 1.00 14.15 C ATOM 400 CD ARG A 26 13.164 7.736 -7.262 1.00 52.51 C ATOM 401 NE ARG A 26 13.534 7.216 -8.575 1.00 44.45 N ATOM 402 CZ ARG A 26 12.774 7.312 -9.665 1.00 13.15 C ATOM 403 NH1 ARG A 26 11.614 7.960 -9.626 1.00 63.23 N ATOM 404 NH2 ARG A 26 13.180 6.763 -10.801 1.00 65.50 N ATOM 0 H ARG A 26 12.587 7.443 -2.471 1.00 64.55 H new ATOM 0 HA ARG A 26 11.341 7.781 -4.956 1.00 75.01 H new ATOM 0 HB2 ARG A 26 13.573 8.532 -4.666 1.00 70.42 H new ATOM 0 HB3 ARG A 26 14.109 6.994 -4.021 1.00 70.42 H new ATOM 0 HG2 ARG A 26 14.995 7.261 -6.253 1.00 14.15 H new ATOM 0 HG3 ARG A 26 13.823 5.958 -6.262 1.00 14.15 H new ATOM 0 HD2 ARG A 26 12.094 7.603 -7.105 1.00 52.51 H new ATOM 0 HD3 ARG A 26 13.361 8.807 -7.224 1.00 52.51 H new ATOM 0 HE ARG A 26 14.436 6.747 -8.664 1.00 44.45 H new ATOM 0 HH11 ARG A 26 11.299 8.389 -8.756 1.00 63.23 H new ATOM 0 HH12 ARG A 26 11.039 8.028 -10.466 1.00 63.23 H new ATOM 0 HH21 ARG A 26 14.072 6.269 -10.839 1.00 65.50 H new ATOM 0 HH22 ARG A 26 12.601 6.834 -11.638 1.00 65.50 H new ATOM 418 N ARG A 27 12.188 4.672 -4.266 1.00 63.41 N ATOM 419 CA ARG A 27 11.978 3.275 -4.632 1.00 63.10 C ATOM 420 C ARG A 27 10.488 2.937 -4.665 1.00 71.14 C ATOM 421 O ARG A 27 10.001 2.333 -5.620 1.00 72.13 O ATOM 422 CB ARG A 27 12.709 2.378 -3.625 1.00 74.22 C ATOM 423 CG ARG A 27 12.581 0.883 -3.881 1.00 20.24 C ATOM 424 CD ARG A 27 13.202 0.476 -5.208 1.00 53.41 C ATOM 425 NE ARG A 27 13.777 -0.868 -5.141 1.00 4.24 N ATOM 426 CZ ARG A 27 13.314 -1.927 -5.804 1.00 75.14 C ATOM 427 NH1 ARG A 27 12.256 -1.822 -6.600 1.00 22.04 N ATOM 428 NH2 ARG A 27 13.927 -3.094 -5.669 1.00 14.33 N ATOM 0 H ARG A 27 12.749 4.801 -3.424 1.00 63.41 H new ATOM 0 HA ARG A 27 12.378 3.104 -5.631 1.00 63.10 H new ATOM 0 HB2 ARG A 27 13.767 2.642 -3.627 1.00 74.22 H new ATOM 0 HB3 ARG A 27 12.329 2.594 -2.627 1.00 74.22 H new ATOM 0 HG2 ARG A 27 13.063 0.334 -3.072 1.00 20.24 H new ATOM 0 HG3 ARG A 27 11.528 0.603 -3.873 1.00 20.24 H new ATOM 0 HD2 ARG A 27 12.445 0.510 -5.991 1.00 53.41 H new ATOM 0 HD3 ARG A 27 13.977 1.191 -5.483 1.00 53.41 H new ATOM 0 HE ARG A 27 14.592 -1.004 -4.543 1.00 4.24 H new ATOM 0 HH11 ARG A 27 11.788 -0.923 -6.710 1.00 22.04 H new ATOM 0 HH12 ARG A 27 11.912 -2.641 -7.102 1.00 22.04 H new ATOM 0 HH21 ARG A 27 14.743 -3.174 -5.063 1.00 14.33 H new ATOM 0 HH22 ARG A 27 13.582 -3.912 -6.171 1.00 14.33 H new ATOM 442 N ILE A 28 9.769 3.344 -3.626 1.00 72.24 N ATOM 443 CA ILE A 28 8.331 3.103 -3.542 1.00 41.32 C ATOM 444 C ILE A 28 7.593 3.830 -4.668 1.00 44.15 C ATOM 445 O ILE A 28 6.700 3.272 -5.312 1.00 4.12 O ATOM 446 CB ILE A 28 7.770 3.554 -2.171 1.00 23.33 C ATOM 447 CG1 ILE A 28 8.455 2.784 -1.039 1.00 54.24 C ATOM 448 CG2 ILE A 28 6.264 3.350 -2.111 1.00 22.11 C ATOM 449 CD1 ILE A 28 8.021 3.216 0.347 1.00 75.14 C ATOM 0 H ILE A 28 10.158 3.844 -2.827 1.00 72.24 H new ATOM 0 HA ILE A 28 8.170 2.030 -3.648 1.00 41.32 H new ATOM 0 HB ILE A 28 7.977 4.617 -2.049 1.00 23.33 H new ATOM 0 HG12 ILE A 28 8.248 1.721 -1.159 1.00 54.24 H new ATOM 0 HG13 ILE A 28 9.534 2.911 -1.127 1.00 54.24 H new ATOM 0 HG21 ILE A 28 5.891 3.673 -1.139 1.00 22.11 H new ATOM 0 HG22 ILE A 28 5.786 3.936 -2.896 1.00 22.11 H new ATOM 0 HG23 ILE A 28 6.034 2.294 -2.255 1.00 22.11 H new ATOM 0 HD11 ILE A 28 8.550 2.625 1.095 1.00 75.14 H new ATOM 0 HD12 ILE A 28 8.253 4.272 0.488 1.00 75.14 H new ATOM 0 HD13 ILE A 28 6.947 3.063 0.456 1.00 75.14 H new ATOM 461 N MET A 29 7.998 5.067 -4.916 1.00 64.32 N ATOM 462 CA MET A 29 7.366 5.904 -5.935 1.00 53.40 C ATOM 463 C MET A 29 7.562 5.330 -7.332 1.00 51.05 C ATOM 464 O MET A 29 6.603 5.183 -8.091 1.00 42.20 O ATOM 465 CB MET A 29 7.920 7.329 -5.894 1.00 55.30 C ATOM 466 CG MET A 29 7.450 8.143 -4.703 1.00 72.35 C ATOM 467 SD MET A 29 8.162 9.800 -4.680 1.00 64.25 S ATOM 468 CE MET A 29 7.346 10.488 -3.242 1.00 4.53 C ATOM 0 H MET A 29 8.768 5.520 -4.423 1.00 64.32 H new ATOM 0 HA MET A 29 6.299 5.924 -5.711 1.00 53.40 H new ATOM 0 HB2 MET A 29 9.009 7.284 -5.882 1.00 55.30 H new ATOM 0 HB3 MET A 29 7.632 7.846 -6.810 1.00 55.30 H new ATOM 0 HG2 MET A 29 6.363 8.218 -4.724 1.00 72.35 H new ATOM 0 HG3 MET A 29 7.716 7.623 -3.783 1.00 72.35 H new ATOM 0 HE1 MET A 29 7.680 11.514 -3.090 1.00 4.53 H new ATOM 0 HE2 MET A 29 6.267 10.477 -3.396 1.00 4.53 H new ATOM 0 HE3 MET A 29 7.594 9.892 -2.363 1.00 4.53 H new ATOM 478 N ASP A 30 8.806 5.001 -7.666 1.00 75.22 N ATOM 479 CA ASP A 30 9.132 4.491 -8.996 1.00 15.42 C ATOM 480 C ASP A 30 8.451 3.154 -9.231 1.00 25.05 C ATOM 481 O ASP A 30 8.082 2.815 -10.357 1.00 71.33 O ATOM 482 CB ASP A 30 10.643 4.329 -9.164 1.00 74.43 C ATOM 483 CG ASP A 30 11.016 3.967 -10.587 1.00 51.13 C ATOM 484 OD1 ASP A 30 11.425 2.810 -10.825 1.00 34.12 O ATOM 485 OD2 ASP A 30 10.889 4.833 -11.478 1.00 71.31 O ATOM 0 H ASP A 30 9.605 5.078 -7.036 1.00 75.22 H new ATOM 0 HA ASP A 30 8.773 5.214 -9.728 1.00 15.42 H new ATOM 0 HB2 ASP A 30 11.141 5.257 -8.883 1.00 74.43 H new ATOM 0 HB3 ASP A 30 11.003 3.555 -8.486 1.00 74.43 H new ATOM 491 N MET A 31 8.276 2.412 -8.146 1.00 71.43 N ATOM 492 CA MET A 31 7.618 1.113 -8.182 1.00 30.54 C ATOM 493 C MET A 31 6.165 1.257 -8.625 1.00 10.24 C ATOM 494 O MET A 31 5.578 0.332 -9.187 1.00 0.14 O ATOM 495 CB MET A 31 7.686 0.492 -6.788 1.00 12.05 C ATOM 496 CG MET A 31 7.578 -1.021 -6.757 1.00 71.21 C ATOM 497 SD MET A 31 8.446 -1.732 -5.342 1.00 74.24 S ATOM 498 CE MET A 31 8.145 -0.488 -4.086 1.00 65.32 C ATOM 0 H MET A 31 8.586 2.694 -7.216 1.00 71.43 H new ATOM 0 HA MET A 31 8.125 0.469 -8.901 1.00 30.54 H new ATOM 0 HB2 MET A 31 8.627 0.784 -6.321 1.00 12.05 H new ATOM 0 HB3 MET A 31 6.885 0.912 -6.180 1.00 12.05 H new ATOM 0 HG2 MET A 31 6.527 -1.309 -6.720 1.00 71.21 H new ATOM 0 HG3 MET A 31 7.989 -1.433 -7.679 1.00 71.21 H new ATOM 0 HE1 MET A 31 8.244 -0.937 -3.098 1.00 65.32 H new ATOM 0 HE2 MET A 31 8.870 0.319 -4.192 1.00 65.32 H new ATOM 0 HE3 MET A 31 7.138 -0.088 -4.204 1.00 65.32 H new ATOM 508 N GLY A 32 5.598 2.431 -8.391 1.00 65.43 N ATOM 509 CA GLY A 32 4.227 2.684 -8.780 1.00 42.22 C ATOM 510 C GLY A 32 3.393 3.208 -7.635 1.00 0.42 C ATOM 511 O GLY A 32 2.336 3.806 -7.846 1.00 1.20 O ATOM 0 H GLY A 32 6.065 3.216 -7.937 1.00 65.43 H new ATOM 0 HA2 GLY A 32 4.211 3.405 -9.598 1.00 42.22 H new ATOM 0 HA3 GLY A 32 3.783 1.763 -9.158 1.00 42.22 H new ATOM 515 N ILE A 33 3.875 3.003 -6.421 1.00 60.44 N ATOM 516 CA ILE A 33 3.141 3.404 -5.236 1.00 73.41 C ATOM 517 C ILE A 33 3.357 4.888 -4.969 1.00 35.41 C ATOM 518 O ILE A 33 4.412 5.301 -4.490 1.00 51.14 O ATOM 519 CB ILE A 33 3.556 2.596 -3.980 1.00 62.04 C ATOM 520 CG1 ILE A 33 3.524 1.086 -4.247 1.00 22.23 C ATOM 521 CG2 ILE A 33 2.649 2.935 -2.807 1.00 5.00 C ATOM 522 CD1 ILE A 33 4.788 0.543 -4.875 1.00 64.14 C ATOM 0 H ILE A 33 4.774 2.560 -6.231 1.00 60.44 H new ATOM 0 HA ILE A 33 2.088 3.201 -5.430 1.00 73.41 H new ATOM 0 HB ILE A 33 4.581 2.874 -3.733 1.00 62.04 H new ATOM 0 HG12 ILE A 33 3.346 0.565 -3.306 1.00 22.23 H new ATOM 0 HG13 ILE A 33 2.681 0.861 -4.900 1.00 22.23 H new ATOM 0 HG21 ILE A 33 2.954 2.359 -1.933 1.00 5.00 H new ATOM 0 HG22 ILE A 33 2.724 3.999 -2.585 1.00 5.00 H new ATOM 0 HG23 ILE A 33 1.618 2.690 -3.062 1.00 5.00 H new ATOM 0 HD11 ILE A 33 4.684 -0.531 -5.031 1.00 64.14 H new ATOM 0 HD12 ILE A 33 4.958 1.034 -5.833 1.00 64.14 H new ATOM 0 HD13 ILE A 33 5.634 0.734 -4.214 1.00 64.14 H new ATOM 534 N THR A 34 2.360 5.688 -5.300 1.00 41.01 N ATOM 535 CA THR A 34 2.446 7.124 -5.119 1.00 4.20 C ATOM 536 C THR A 34 1.175 7.663 -4.478 1.00 52.45 C ATOM 537 O THR A 34 0.187 6.937 -4.337 1.00 63.21 O ATOM 538 CB THR A 34 2.717 7.840 -6.458 1.00 33.21 C ATOM 539 OG1 THR A 34 2.081 7.133 -7.531 1.00 20.43 O ATOM 540 CG2 THR A 34 4.212 7.939 -6.724 1.00 23.25 C ATOM 0 H THR A 34 1.478 5.365 -5.697 1.00 41.01 H new ATOM 0 HA THR A 34 3.284 7.325 -4.452 1.00 4.20 H new ATOM 0 HB THR A 34 2.307 8.848 -6.396 1.00 33.21 H new ATOM 0 HG1 THR A 34 1.130 7.013 -7.326 1.00 20.43 H new ATOM 0 HG21 THR A 34 4.380 8.447 -7.673 1.00 23.25 H new ATOM 0 HG22 THR A 34 4.688 8.503 -5.922 1.00 23.25 H new ATOM 0 HG23 THR A 34 4.641 6.938 -6.768 1.00 23.25 H new ATOM 548 N ARG A 35 1.201 8.930 -4.093 1.00 71.41 N ATOM 549 CA ARG A 35 0.090 9.531 -3.372 1.00 15.00 C ATOM 550 C ARG A 35 -1.101 9.745 -4.297 1.00 42.30 C ATOM 551 O ARG A 35 -0.973 10.349 -5.362 1.00 21.04 O ATOM 552 CB ARG A 35 0.520 10.862 -2.755 1.00 51.32 C ATOM 553 CG ARG A 35 1.713 10.745 -1.821 1.00 13.04 C ATOM 554 CD ARG A 35 2.112 12.098 -1.258 1.00 70.12 C ATOM 555 NE ARG A 35 3.257 12.001 -0.352 1.00 23.45 N ATOM 556 CZ ARG A 35 3.344 12.653 0.808 1.00 14.03 C ATOM 557 NH1 ARG A 35 2.365 13.461 1.195 1.00 23.21 N ATOM 558 NH2 ARG A 35 4.422 12.511 1.567 1.00 4.32 N ATOM 0 H ARG A 35 1.981 9.563 -4.269 1.00 71.41 H new ATOM 0 HA ARG A 35 -0.210 8.850 -2.575 1.00 15.00 H new ATOM 0 HB2 ARG A 35 0.763 11.561 -3.555 1.00 51.32 H new ATOM 0 HB3 ARG A 35 -0.320 11.286 -2.205 1.00 51.32 H new ATOM 0 HG2 ARG A 35 1.471 10.066 -1.003 1.00 13.04 H new ATOM 0 HG3 ARG A 35 2.556 10.310 -2.358 1.00 13.04 H new ATOM 0 HD2 ARG A 35 2.355 12.774 -2.078 1.00 70.12 H new ATOM 0 HD3 ARG A 35 1.266 12.533 -0.727 1.00 70.12 H new ATOM 0 HE ARG A 35 4.034 11.399 -0.624 1.00 23.45 H new ATOM 0 HH11 ARG A 35 1.543 13.585 0.605 1.00 23.21 H new ATOM 0 HH12 ARG A 35 2.435 13.958 2.083 1.00 23.21 H new ATOM 0 HH21 ARG A 35 5.183 11.904 1.263 1.00 4.32 H new ATOM 0 HH22 ARG A 35 4.490 13.009 2.455 1.00 4.32 H new ATOM 572 N GLY A 36 -2.256 9.237 -3.890 1.00 34.33 N ATOM 573 CA GLY A 36 -3.458 9.392 -4.686 1.00 32.51 C ATOM 574 C GLY A 36 -3.806 8.142 -5.469 1.00 33.04 C ATOM 575 O GLY A 36 -4.865 8.069 -6.090 1.00 15.21 O ATOM 0 H GLY A 36 -2.383 8.719 -3.021 1.00 34.33 H new ATOM 0 HA2 GLY A 36 -4.291 9.650 -4.032 1.00 32.51 H new ATOM 0 HA3 GLY A 36 -3.326 10.224 -5.378 1.00 32.51 H new ATOM 579 N CYS A 37 -2.917 7.160 -5.442 1.00 53.50 N ATOM 580 CA CYS A 37 -3.146 5.914 -6.160 1.00 3.42 C ATOM 581 C CYS A 37 -3.941 4.929 -5.311 1.00 50.11 C ATOM 582 O CYS A 37 -3.779 4.876 -4.089 1.00 3.03 O ATOM 583 CB CYS A 37 -1.816 5.287 -6.574 1.00 12.40 C ATOM 584 SG CYS A 37 -0.829 6.322 -7.677 1.00 73.24 S ATOM 0 H CYS A 37 -2.034 7.201 -4.933 1.00 53.50 H new ATOM 0 HA CYS A 37 -3.727 6.145 -7.053 1.00 3.42 H new ATOM 0 HB2 CYS A 37 -1.234 5.070 -5.678 1.00 12.40 H new ATOM 0 HB3 CYS A 37 -2.012 4.334 -7.065 1.00 12.40 H new ATOM 0 HG CYS A 37 0.172 5.633 -8.139 1.00 73.24 H new ATOM 590 N GLU A 38 -4.801 4.161 -5.971 1.00 70.24 N ATOM 591 CA GLU A 38 -5.587 3.133 -5.305 1.00 72.12 C ATOM 592 C GLU A 38 -4.786 1.838 -5.221 1.00 33.52 C ATOM 593 O GLU A 38 -4.372 1.281 -6.241 1.00 41.25 O ATOM 594 CB GLU A 38 -6.899 2.890 -6.055 1.00 31.51 C ATOM 595 CG GLU A 38 -7.757 4.138 -6.215 1.00 71.10 C ATOM 596 CD GLU A 38 -9.006 3.896 -7.041 1.00 35.40 C ATOM 597 OE1 GLU A 38 -9.065 2.876 -7.760 1.00 71.11 O ATOM 598 OE2 GLU A 38 -9.930 4.736 -6.996 1.00 65.14 O ATOM 0 H GLU A 38 -4.971 4.233 -6.974 1.00 70.24 H new ATOM 0 HA GLU A 38 -5.822 3.474 -4.297 1.00 72.12 H new ATOM 0 HB2 GLU A 38 -6.673 2.487 -7.042 1.00 31.51 H new ATOM 0 HB3 GLU A 38 -7.474 2.131 -5.525 1.00 31.51 H new ATOM 0 HG2 GLU A 38 -8.045 4.503 -5.229 1.00 71.10 H new ATOM 0 HG3 GLU A 38 -7.164 4.923 -6.685 1.00 71.10 H new ATOM 606 N ILE A 39 -4.565 1.370 -4.007 1.00 63.31 N ATOM 607 CA ILE A 39 -3.791 0.168 -3.771 1.00 20.45 C ATOM 608 C ILE A 39 -4.717 -0.987 -3.424 1.00 12.52 C ATOM 609 O ILE A 39 -5.406 -0.961 -2.402 1.00 55.24 O ATOM 610 CB ILE A 39 -2.786 0.366 -2.613 1.00 34.32 C ATOM 611 CG1 ILE A 39 -1.901 1.594 -2.856 1.00 42.41 C ATOM 612 CG2 ILE A 39 -1.928 -0.877 -2.434 1.00 2.03 C ATOM 613 CD1 ILE A 39 -0.949 1.449 -4.023 1.00 24.30 C ATOM 0 H ILE A 39 -4.917 1.813 -3.158 1.00 63.31 H new ATOM 0 HA ILE A 39 -3.238 -0.054 -4.684 1.00 20.45 H new ATOM 0 HB ILE A 39 -3.355 0.533 -1.698 1.00 34.32 H new ATOM 0 HG12 ILE A 39 -2.540 2.460 -3.028 1.00 42.41 H new ATOM 0 HG13 ILE A 39 -1.324 1.797 -1.954 1.00 42.41 H new ATOM 0 HG21 ILE A 39 -1.226 -0.720 -1.615 1.00 2.03 H new ATOM 0 HG22 ILE A 39 -2.567 -1.730 -2.206 1.00 2.03 H new ATOM 0 HG23 ILE A 39 -1.375 -1.073 -3.353 1.00 2.03 H new ATOM 0 HD11 ILE A 39 -0.360 2.360 -4.127 1.00 24.30 H new ATOM 0 HD12 ILE A 39 -0.283 0.604 -3.847 1.00 24.30 H new ATOM 0 HD13 ILE A 39 -1.517 1.278 -4.937 1.00 24.30 H new ATOM 625 N TYR A 40 -4.752 -1.980 -4.290 1.00 63.13 N ATOM 626 CA TYR A 40 -5.543 -3.171 -4.039 1.00 35.51 C ATOM 627 C TYR A 40 -4.678 -4.232 -3.377 1.00 73.53 C ATOM 628 O TYR A 40 -3.742 -4.757 -3.987 1.00 42.34 O ATOM 629 CB TYR A 40 -6.135 -3.712 -5.341 1.00 42.14 C ATOM 630 CG TYR A 40 -7.185 -4.786 -5.136 1.00 32.21 C ATOM 631 CD1 TYR A 40 -8.507 -4.443 -4.886 1.00 64.33 C ATOM 632 CD2 TYR A 40 -6.859 -6.136 -5.200 1.00 71.23 C ATOM 633 CE1 TYR A 40 -9.477 -5.410 -4.712 1.00 32.14 C ATOM 634 CE2 TYR A 40 -7.825 -7.111 -5.025 1.00 11.20 C ATOM 635 CZ TYR A 40 -9.131 -6.742 -4.779 1.00 44.22 C ATOM 636 OH TYR A 40 -10.098 -7.705 -4.615 1.00 13.13 O ATOM 0 H TYR A 40 -4.243 -1.987 -5.174 1.00 63.13 H new ATOM 0 HA TYR A 40 -6.365 -2.910 -3.373 1.00 35.51 H new ATOM 0 HB2 TYR A 40 -6.577 -2.886 -5.899 1.00 42.14 H new ATOM 0 HB3 TYR A 40 -5.330 -4.116 -5.955 1.00 42.14 H new ATOM 0 HD1 TYR A 40 -8.782 -3.400 -4.827 1.00 64.33 H new ATOM 0 HD2 TYR A 40 -5.837 -6.428 -5.389 1.00 71.23 H new ATOM 0 HE1 TYR A 40 -10.501 -5.124 -4.524 1.00 32.14 H new ATOM 0 HE2 TYR A 40 -7.558 -8.156 -5.081 1.00 11.20 H new ATOM 0 HH TYR A 40 -9.691 -8.593 -4.692 1.00 13.13 H new ATOM 646 N ILE A 41 -4.980 -4.526 -2.126 1.00 14.53 N ATOM 647 CA ILE A 41 -4.242 -5.530 -1.382 1.00 22.43 C ATOM 648 C ILE A 41 -4.823 -6.904 -1.678 1.00 3.12 C ATOM 649 O ILE A 41 -5.943 -7.206 -1.269 1.00 55.30 O ATOM 650 CB ILE A 41 -4.316 -5.266 0.135 1.00 34.11 C ATOM 651 CG1 ILE A 41 -4.020 -3.795 0.446 1.00 44.53 C ATOM 652 CG2 ILE A 41 -3.346 -6.175 0.877 1.00 24.32 C ATOM 653 CD1 ILE A 41 -2.608 -3.367 0.120 1.00 73.43 C ATOM 0 H ILE A 41 -5.734 -4.082 -1.602 1.00 14.53 H new ATOM 0 HA ILE A 41 -3.197 -5.485 -1.690 1.00 22.43 H new ATOM 0 HB ILE A 41 -5.328 -5.487 0.474 1.00 34.11 H new ATOM 0 HG12 ILE A 41 -4.716 -3.170 -0.113 1.00 44.53 H new ATOM 0 HG13 ILE A 41 -4.208 -3.614 1.504 1.00 44.53 H new ATOM 0 HG21 ILE A 41 -3.409 -5.978 1.947 1.00 24.32 H new ATOM 0 HG22 ILE A 41 -3.603 -7.216 0.684 1.00 24.32 H new ATOM 0 HG23 ILE A 41 -2.330 -5.982 0.532 1.00 24.32 H new ATOM 0 HD11 ILE A 41 -2.480 -2.314 0.369 1.00 73.43 H new ATOM 0 HD12 ILE A 41 -1.904 -3.965 0.699 1.00 73.43 H new ATOM 0 HD13 ILE A 41 -2.420 -3.514 -0.944 1.00 73.43 H new ATOM 665 N ARG A 42 -4.080 -7.731 -2.395 1.00 53.43 N ATOM 666 CA ARG A 42 -4.606 -9.021 -2.820 1.00 14.33 C ATOM 667 C ARG A 42 -4.070 -10.164 -1.961 1.00 54.12 C ATOM 668 O ARG A 42 -4.694 -11.219 -1.867 1.00 0.13 O ATOM 669 CB ARG A 42 -4.291 -9.273 -4.301 1.00 15.21 C ATOM 670 CG ARG A 42 -2.809 -9.378 -4.615 1.00 10.41 C ATOM 671 CD ARG A 42 -2.482 -10.675 -5.337 1.00 43.25 C ATOM 672 NE ARG A 42 -3.144 -10.770 -6.640 1.00 74.43 N ATOM 673 CZ ARG A 42 -2.712 -11.551 -7.634 1.00 54.34 C ATOM 674 NH1 ARG A 42 -1.631 -12.303 -7.470 1.00 3.42 N ATOM 675 NH2 ARG A 42 -3.367 -11.588 -8.789 1.00 14.22 N ATOM 0 H ARG A 42 -3.124 -7.538 -2.693 1.00 53.43 H new ATOM 0 HA ARG A 42 -5.688 -8.989 -2.690 1.00 14.33 H new ATOM 0 HB2 ARG A 42 -4.783 -10.194 -4.613 1.00 15.21 H new ATOM 0 HB3 ARG A 42 -4.720 -8.465 -4.894 1.00 15.21 H new ATOM 0 HG2 ARG A 42 -2.506 -8.531 -5.231 1.00 10.41 H new ATOM 0 HG3 ARG A 42 -2.235 -9.321 -3.690 1.00 10.41 H new ATOM 0 HD2 ARG A 42 -1.403 -10.749 -5.474 1.00 43.25 H new ATOM 0 HD3 ARG A 42 -2.783 -11.519 -4.717 1.00 43.25 H new ATOM 0 HE ARG A 42 -3.981 -10.209 -6.797 1.00 74.43 H new ATOM 0 HH11 ARG A 42 -1.127 -12.286 -6.583 1.00 3.42 H new ATOM 0 HH12 ARG A 42 -1.304 -12.898 -8.231 1.00 3.42 H new ATOM 0 HH21 ARG A 42 -4.203 -11.019 -8.920 1.00 14.22 H new ATOM 0 HH22 ARG A 42 -3.034 -12.186 -9.545 1.00 14.22 H new ATOM 689 N LYS A 43 -2.925 -9.954 -1.329 1.00 73.30 N ATOM 690 CA LYS A 43 -2.294 -11.009 -0.545 1.00 24.24 C ATOM 691 C LYS A 43 -1.474 -10.427 0.598 1.00 31.12 C ATOM 692 O LYS A 43 -0.626 -9.561 0.385 1.00 55.42 O ATOM 693 CB LYS A 43 -1.404 -11.868 -1.442 1.00 50.22 C ATOM 694 CG LYS A 43 -0.741 -13.026 -0.719 1.00 31.14 C ATOM 695 CD LYS A 43 0.102 -13.857 -1.669 1.00 3.45 C ATOM 696 CE LYS A 43 0.756 -15.026 -0.957 1.00 61.22 C ATOM 697 NZ LYS A 43 1.697 -14.578 0.104 1.00 72.02 N ATOM 0 H LYS A 43 -2.416 -9.070 -1.342 1.00 73.30 H new ATOM 0 HA LYS A 43 -3.081 -11.630 -0.118 1.00 24.24 H new ATOM 0 HB2 LYS A 43 -2.003 -12.260 -2.264 1.00 50.22 H new ATOM 0 HB3 LYS A 43 -0.632 -11.237 -1.883 1.00 50.22 H new ATOM 0 HG2 LYS A 43 -0.115 -12.644 0.087 1.00 31.14 H new ATOM 0 HG3 LYS A 43 -1.503 -13.655 -0.260 1.00 31.14 H new ATOM 0 HD2 LYS A 43 -0.523 -14.228 -2.481 1.00 3.45 H new ATOM 0 HD3 LYS A 43 0.870 -13.229 -2.120 1.00 3.45 H new ATOM 0 HE2 LYS A 43 -0.014 -15.658 -0.515 1.00 61.22 H new ATOM 0 HE3 LYS A 43 1.292 -15.638 -1.682 1.00 61.22 H new ATOM 0 HZ1 LYS A 43 2.257 -15.389 0.436 1.00 72.02 H new ATOM 0 HZ2 LYS A 43 2.334 -13.852 -0.281 1.00 72.02 H new ATOM 0 HZ3 LYS A 43 1.159 -14.180 0.900 1.00 72.02 H new ATOM 711 N VAL A 44 -1.737 -10.906 1.804 1.00 55.52 N ATOM 712 CA VAL A 44 -0.988 -10.493 2.983 1.00 51.31 C ATOM 713 C VAL A 44 -0.416 -11.722 3.676 1.00 11.54 C ATOM 714 O VAL A 44 -1.162 -12.629 4.053 1.00 12.04 O ATOM 715 CB VAL A 44 -1.865 -9.716 3.991 1.00 15.03 C ATOM 716 CG1 VAL A 44 -1.033 -9.227 5.170 1.00 15.05 C ATOM 717 CG2 VAL A 44 -2.570 -8.548 3.320 1.00 20.25 C ATOM 0 H VAL A 44 -2.471 -11.588 1.994 1.00 55.52 H new ATOM 0 HA VAL A 44 -0.191 -9.829 2.647 1.00 51.31 H new ATOM 0 HB VAL A 44 -2.625 -10.402 4.365 1.00 15.03 H new ATOM 0 HG11 VAL A 44 -1.672 -8.683 5.866 1.00 15.05 H new ATOM 0 HG12 VAL A 44 -0.587 -10.081 5.679 1.00 15.05 H new ATOM 0 HG13 VAL A 44 -0.244 -8.567 4.810 1.00 15.05 H new ATOM 0 HG21 VAL A 44 -3.179 -8.021 4.054 1.00 20.25 H new ATOM 0 HG22 VAL A 44 -1.829 -7.865 2.906 1.00 20.25 H new ATOM 0 HG23 VAL A 44 -3.208 -8.920 2.519 1.00 20.25 H new ATOM 727 N ALA A 45 0.899 -11.758 3.828 1.00 71.34 N ATOM 728 CA ALA A 45 1.561 -12.883 4.472 1.00 35.34 C ATOM 729 C ALA A 45 1.269 -12.898 5.969 1.00 51.34 C ATOM 730 O ALA A 45 1.159 -11.844 6.591 1.00 1.32 O ATOM 731 CB ALA A 45 3.058 -12.824 4.221 1.00 64.11 C ATOM 0 H ALA A 45 1.530 -11.020 3.514 1.00 71.34 H new ATOM 0 HA ALA A 45 1.171 -13.805 4.042 1.00 35.34 H new ATOM 0 HB1 ALA A 45 3.542 -13.671 4.708 1.00 64.11 H new ATOM 0 HB2 ALA A 45 3.249 -12.864 3.149 1.00 64.11 H new ATOM 0 HB3 ALA A 45 3.459 -11.895 4.626 1.00 64.11 H new ATOM 737 N PRO A 46 1.150 -14.096 6.565 1.00 53.22 N ATOM 738 CA PRO A 46 0.841 -14.250 7.995 1.00 40.01 C ATOM 739 C PRO A 46 1.871 -13.574 8.900 1.00 21.12 C ATOM 740 O PRO A 46 1.557 -13.158 10.014 1.00 45.41 O ATOM 741 CB PRO A 46 0.870 -15.766 8.209 1.00 35.05 C ATOM 742 CG PRO A 46 0.656 -16.353 6.858 1.00 41.23 C ATOM 743 CD PRO A 46 1.288 -15.397 5.890 1.00 74.22 C ATOM 0 HA PRO A 46 -0.111 -13.783 8.248 1.00 40.01 H new ATOM 0 HB2 PRO A 46 1.822 -16.086 8.632 1.00 35.05 H new ATOM 0 HB3 PRO A 46 0.091 -16.081 8.903 1.00 35.05 H new ATOM 0 HG2 PRO A 46 1.111 -17.341 6.785 1.00 41.23 H new ATOM 0 HG3 PRO A 46 -0.407 -16.475 6.649 1.00 41.23 H new ATOM 0 HD2 PRO A 46 2.333 -15.645 5.703 1.00 74.22 H new ATOM 0 HD3 PRO A 46 0.781 -15.406 4.925 1.00 74.22 H new ATOM 751 N LEU A 47 3.103 -13.467 8.418 1.00 64.45 N ATOM 752 CA LEU A 47 4.164 -12.830 9.188 1.00 71.03 C ATOM 753 C LEU A 47 4.390 -11.396 8.716 1.00 23.50 C ATOM 754 O LEU A 47 5.324 -10.723 9.154 1.00 71.53 O ATOM 755 CB LEU A 47 5.456 -13.657 9.110 1.00 21.42 C ATOM 756 CG LEU A 47 6.020 -13.899 7.706 1.00 34.11 C ATOM 757 CD1 LEU A 47 7.028 -12.822 7.334 1.00 24.44 C ATOM 758 CD2 LEU A 47 6.656 -15.278 7.620 1.00 63.13 C ATOM 0 H LEU A 47 3.391 -13.811 7.502 1.00 64.45 H new ATOM 0 HA LEU A 47 3.857 -12.788 10.233 1.00 71.03 H new ATOM 0 HB2 LEU A 47 6.220 -13.156 9.705 1.00 21.42 H new ATOM 0 HB3 LEU A 47 5.272 -14.625 9.577 1.00 21.42 H new ATOM 0 HG LEU A 47 5.196 -13.852 6.994 1.00 34.11 H new ATOM 0 HD11 LEU A 47 7.414 -13.015 6.333 1.00 24.44 H new ATOM 0 HD12 LEU A 47 6.542 -11.847 7.353 1.00 24.44 H new ATOM 0 HD13 LEU A 47 7.851 -12.831 8.049 1.00 24.44 H new ATOM 0 HD21 LEU A 47 7.052 -15.434 6.616 1.00 63.13 H new ATOM 0 HD22 LEU A 47 7.467 -15.351 8.345 1.00 63.13 H new ATOM 0 HD23 LEU A 47 5.906 -16.039 7.837 1.00 63.13 H new ATOM 770 N GLY A 48 3.525 -10.937 7.819 1.00 72.40 N ATOM 771 CA GLY A 48 3.580 -9.564 7.355 1.00 74.43 C ATOM 772 C GLY A 48 4.320 -9.404 6.041 1.00 21.42 C ATOM 773 O GLY A 48 3.947 -8.576 5.216 1.00 2.13 O ATOM 0 H GLY A 48 2.781 -11.497 7.402 1.00 72.40 H new ATOM 0 HA2 GLY A 48 2.564 -9.186 7.240 1.00 74.43 H new ATOM 0 HA3 GLY A 48 4.065 -8.950 8.114 1.00 74.43 H new ATOM 777 N ASP A 49 5.362 -10.197 5.837 1.00 3.15 N ATOM 778 CA ASP A 49 6.222 -10.027 4.670 1.00 33.05 C ATOM 779 C ASP A 49 6.201 -11.267 3.782 1.00 61.41 C ATOM 780 O ASP A 49 6.363 -12.390 4.263 1.00 60.31 O ATOM 781 CB ASP A 49 7.655 -9.730 5.116 1.00 40.31 C ATOM 782 CG ASP A 49 8.538 -9.283 3.972 1.00 12.04 C ATOM 783 OD1 ASP A 49 8.361 -8.141 3.499 1.00 33.23 O ATOM 784 OD2 ASP A 49 9.422 -10.055 3.556 1.00 55.45 O ATOM 0 H ASP A 49 5.633 -10.960 6.458 1.00 3.15 H new ATOM 0 HA ASP A 49 5.841 -9.187 4.089 1.00 33.05 H new ATOM 0 HB2 ASP A 49 7.640 -8.956 5.883 1.00 40.31 H new ATOM 0 HB3 ASP A 49 8.082 -10.623 5.573 1.00 40.31 H new ATOM 790 N PRO A 50 5.986 -11.087 2.472 1.00 42.31 N ATOM 791 CA PRO A 50 5.714 -9.788 1.871 1.00 61.05 C ATOM 792 C PRO A 50 4.221 -9.519 1.683 1.00 65.41 C ATOM 793 O PRO A 50 3.382 -10.399 1.896 1.00 3.34 O ATOM 794 CB PRO A 50 6.392 -9.931 0.513 1.00 11.14 C ATOM 795 CG PRO A 50 6.248 -11.380 0.157 1.00 33.55 C ATOM 796 CD PRO A 50 6.028 -12.140 1.448 1.00 75.31 C ATOM 0 HA PRO A 50 6.067 -8.960 2.486 1.00 61.05 H new ATOM 0 HB2 PRO A 50 5.919 -9.293 -0.233 1.00 11.14 H new ATOM 0 HB3 PRO A 50 7.441 -9.639 0.563 1.00 11.14 H new ATOM 0 HG2 PRO A 50 5.409 -11.527 -0.523 1.00 33.55 H new ATOM 0 HG3 PRO A 50 7.140 -11.741 -0.354 1.00 33.55 H new ATOM 0 HD2 PRO A 50 5.100 -12.711 1.423 1.00 75.31 H new ATOM 0 HD3 PRO A 50 6.834 -12.850 1.637 1.00 75.31 H new ATOM 804 N ILE A 51 3.899 -8.299 1.281 1.00 1.42 N ATOM 805 CA ILE A 51 2.530 -7.943 0.944 1.00 12.54 C ATOM 806 C ILE A 51 2.409 -7.770 -0.564 1.00 72.54 C ATOM 807 O ILE A 51 3.250 -7.119 -1.191 1.00 45.13 O ATOM 808 CB ILE A 51 2.073 -6.653 1.666 1.00 41.40 C ATOM 809 CG1 ILE A 51 2.135 -6.853 3.181 1.00 65.13 C ATOM 810 CG2 ILE A 51 0.661 -6.269 1.237 1.00 22.23 C ATOM 811 CD1 ILE A 51 1.700 -5.642 3.976 1.00 62.03 C ATOM 0 H ILE A 51 4.570 -7.537 1.180 1.00 1.42 H new ATOM 0 HA ILE A 51 1.879 -8.750 1.280 1.00 12.54 H new ATOM 0 HB ILE A 51 2.745 -5.841 1.390 1.00 41.40 H new ATOM 0 HG12 ILE A 51 1.504 -7.700 3.452 1.00 65.13 H new ATOM 0 HG13 ILE A 51 3.156 -7.113 3.462 1.00 65.13 H new ATOM 0 HG21 ILE A 51 0.358 -5.360 1.756 1.00 22.23 H new ATOM 0 HG22 ILE A 51 0.642 -6.097 0.161 1.00 22.23 H new ATOM 0 HG23 ILE A 51 -0.027 -7.076 1.487 1.00 22.23 H new ATOM 0 HD11 ILE A 51 1.771 -5.861 5.041 1.00 62.03 H new ATOM 0 HD12 ILE A 51 2.346 -4.798 3.735 1.00 62.03 H new ATOM 0 HD13 ILE A 51 0.669 -5.393 3.725 1.00 62.03 H new ATOM 823 N GLN A 52 1.381 -8.371 -1.143 1.00 21.33 N ATOM 824 CA GLN A 52 1.181 -8.325 -2.582 1.00 31.22 C ATOM 825 C GLN A 52 0.135 -7.273 -2.927 1.00 54.20 C ATOM 826 O GLN A 52 -1.035 -7.398 -2.548 1.00 75.12 O ATOM 827 CB GLN A 52 0.726 -9.688 -3.095 1.00 3.44 C ATOM 828 CG GLN A 52 0.929 -9.878 -4.588 1.00 51.20 C ATOM 829 CD GLN A 52 2.388 -10.057 -4.952 1.00 24.01 C ATOM 830 OE1 GLN A 52 3.093 -9.097 -5.237 1.00 30.44 O ATOM 831 NE2 GLN A 52 2.845 -11.297 -4.950 1.00 43.22 N ATOM 0 H GLN A 52 0.670 -8.898 -0.636 1.00 21.33 H new ATOM 0 HA GLN A 52 2.126 -8.064 -3.058 1.00 31.22 H new ATOM 0 HB2 GLN A 52 1.270 -10.467 -2.561 1.00 3.44 H new ATOM 0 HB3 GLN A 52 -0.330 -9.820 -2.861 1.00 3.44 H new ATOM 0 HG2 GLN A 52 0.364 -10.749 -4.921 1.00 51.20 H new ATOM 0 HG3 GLN A 52 0.528 -9.015 -5.120 1.00 51.20 H new ATOM 0 HE21 GLN A 52 2.224 -12.069 -4.706 1.00 43.22 H new ATOM 0 HE22 GLN A 52 3.818 -11.482 -5.192 1.00 43.22 H new ATOM 840 N ILE A 53 0.549 -6.244 -3.646 1.00 74.40 N ATOM 841 CA ILE A 53 -0.346 -5.149 -3.987 1.00 10.43 C ATOM 842 C ILE A 53 -0.480 -5.008 -5.498 1.00 3.15 C ATOM 843 O ILE A 53 0.493 -5.160 -6.235 1.00 40.41 O ATOM 844 CB ILE A 53 0.145 -3.813 -3.385 1.00 21.22 C ATOM 845 CG1 ILE A 53 1.538 -3.455 -3.916 1.00 70.22 C ATOM 846 CG2 ILE A 53 0.162 -3.897 -1.867 1.00 54.15 C ATOM 847 CD1 ILE A 53 2.069 -2.137 -3.396 1.00 71.51 C ATOM 0 H ILE A 53 1.498 -6.143 -4.005 1.00 74.40 H new ATOM 0 HA ILE A 53 -1.322 -5.385 -3.562 1.00 10.43 H new ATOM 0 HB ILE A 53 -0.546 -3.026 -3.686 1.00 21.22 H new ATOM 0 HG12 ILE A 53 2.235 -4.249 -3.646 1.00 70.22 H new ATOM 0 HG13 ILE A 53 1.503 -3.418 -5.005 1.00 70.22 H new ATOM 0 HG21 ILE A 53 0.510 -2.950 -1.454 1.00 54.15 H new ATOM 0 HG22 ILE A 53 -0.844 -4.104 -1.503 1.00 54.15 H new ATOM 0 HG23 ILE A 53 0.833 -4.697 -1.554 1.00 54.15 H new ATOM 0 HD11 ILE A 53 3.058 -1.952 -3.815 1.00 71.51 H new ATOM 0 HD12 ILE A 53 1.395 -1.332 -3.689 1.00 71.51 H new ATOM 0 HD13 ILE A 53 2.137 -2.176 -2.309 1.00 71.51 H new ATOM 859 N ASN A 54 -1.691 -4.748 -5.959 1.00 74.11 N ATOM 860 CA ASN A 54 -1.938 -4.570 -7.381 1.00 24.15 C ATOM 861 C ASN A 54 -1.912 -3.097 -7.746 1.00 34.25 C ATOM 862 O ASN A 54 -2.788 -2.328 -7.346 1.00 51.44 O ATOM 863 CB ASN A 54 -3.278 -5.191 -7.786 1.00 10.23 C ATOM 864 CG ASN A 54 -3.239 -6.709 -7.804 1.00 54.04 C ATOM 865 OD1 ASN A 54 -2.107 -7.273 -8.194 1.00 73.14 O flip ATOM 866 ND2 ASN A 54 -4.226 -7.369 -7.482 1.00 44.31 N flip ATOM 0 H ASN A 54 -2.519 -4.655 -5.370 1.00 74.11 H new ATOM 0 HA ASN A 54 -1.144 -5.081 -7.926 1.00 24.15 H new ATOM 0 HB2 ASN A 54 -4.051 -4.860 -7.093 1.00 10.23 H new ATOM 0 HB3 ASN A 54 -3.558 -4.827 -8.774 1.00 10.23 H new ATOM 0 HD21 ASN A 54 -5.081 -6.897 -7.187 1.00 44.31 H new ATOM 0 HD22 ASN A 54 -4.190 -8.388 -7.510 1.00 44.31 H new ATOM 873 N VAL A 55 -0.885 -2.709 -8.491 1.00 21.24 N ATOM 874 CA VAL A 55 -0.716 -1.329 -8.924 1.00 14.31 C ATOM 875 C VAL A 55 -0.324 -1.297 -10.396 1.00 24.23 C ATOM 876 O VAL A 55 0.578 -2.025 -10.812 1.00 3.11 O ATOM 877 CB VAL A 55 0.371 -0.593 -8.104 1.00 31.05 C ATOM 878 CG1 VAL A 55 0.451 0.872 -8.507 1.00 21.53 C ATOM 879 CG2 VAL A 55 0.110 -0.722 -6.612 1.00 2.34 C ATOM 0 H VAL A 55 -0.149 -3.339 -8.811 1.00 21.24 H new ATOM 0 HA VAL A 55 -1.667 -0.820 -8.767 1.00 14.31 H new ATOM 0 HB VAL A 55 1.330 -1.063 -8.322 1.00 31.05 H new ATOM 0 HG11 VAL A 55 1.221 1.370 -7.918 1.00 21.53 H new ATOM 0 HG12 VAL A 55 0.700 0.945 -9.566 1.00 21.53 H new ATOM 0 HG13 VAL A 55 -0.511 1.352 -8.326 1.00 21.53 H new ATOM 0 HG21 VAL A 55 0.889 -0.196 -6.060 1.00 2.34 H new ATOM 0 HG22 VAL A 55 -0.861 -0.288 -6.374 1.00 2.34 H new ATOM 0 HG23 VAL A 55 0.115 -1.775 -6.332 1.00 2.34 H new ATOM 889 N ARG A 56 -1.023 -0.475 -11.180 1.00 53.03 N ATOM 890 CA ARG A 56 -0.739 -0.312 -12.608 1.00 54.53 C ATOM 891 C ARG A 56 -0.919 -1.627 -13.362 1.00 71.43 C ATOM 892 O ARG A 56 -0.355 -1.823 -14.436 1.00 61.20 O ATOM 893 CB ARG A 56 0.678 0.232 -12.822 1.00 4.14 C ATOM 894 CG ARG A 56 0.898 1.606 -12.210 1.00 72.02 C ATOM 895 CD ARG A 56 -0.052 2.636 -12.801 1.00 41.34 C ATOM 896 NE ARG A 56 0.055 3.930 -12.131 1.00 63.44 N ATOM 897 CZ ARG A 56 -0.897 4.863 -12.153 1.00 34.24 C ATOM 898 NH1 ARG A 56 -2.026 4.649 -12.816 1.00 75.22 N ATOM 899 NH2 ARG A 56 -0.723 6.010 -11.508 1.00 63.21 N ATOM 0 H ARG A 56 -1.800 0.095 -10.845 1.00 53.03 H new ATOM 0 HA ARG A 56 -1.454 0.409 -13.006 1.00 54.53 H new ATOM 0 HB2 ARG A 56 1.396 -0.467 -12.393 1.00 4.14 H new ATOM 0 HB3 ARG A 56 0.882 0.282 -13.892 1.00 4.14 H new ATOM 0 HG2 ARG A 56 0.753 1.553 -11.131 1.00 72.02 H new ATOM 0 HG3 ARG A 56 1.928 1.920 -12.378 1.00 72.02 H new ATOM 0 HD2 ARG A 56 0.162 2.759 -13.863 1.00 41.34 H new ATOM 0 HD3 ARG A 56 -1.076 2.271 -12.723 1.00 41.34 H new ATOM 0 HE ARG A 56 0.911 4.132 -11.614 1.00 63.44 H new ATOM 0 HH11 ARG A 56 -2.168 3.768 -13.311 1.00 75.22 H new ATOM 0 HH12 ARG A 56 -2.752 5.365 -12.831 1.00 75.22 H new ATOM 0 HH21 ARG A 56 0.141 6.180 -10.993 1.00 63.21 H new ATOM 0 HH22 ARG A 56 -1.453 6.722 -11.527 1.00 63.21 H new ATOM 913 N GLY A 57 -1.719 -2.516 -12.791 1.00 22.44 N ATOM 914 CA GLY A 57 -1.989 -3.792 -13.424 1.00 61.53 C ATOM 915 C GLY A 57 -1.032 -4.878 -12.976 1.00 71.01 C ATOM 916 O GLY A 57 -1.256 -6.060 -13.243 1.00 12.33 O ATOM 0 H GLY A 57 -2.188 -2.376 -11.896 1.00 22.44 H new ATOM 0 HA2 GLY A 57 -3.011 -4.097 -13.198 1.00 61.53 H new ATOM 0 HA3 GLY A 57 -1.923 -3.678 -14.506 1.00 61.53 H new ATOM 920 N TYR A 58 0.029 -4.484 -12.287 1.00 13.43 N ATOM 921 CA TYR A 58 1.047 -5.427 -11.849 1.00 3.02 C ATOM 922 C TYR A 58 0.848 -5.810 -10.392 1.00 12.41 C ATOM 923 O TYR A 58 0.208 -5.087 -9.627 1.00 44.34 O ATOM 924 CB TYR A 58 2.447 -4.833 -12.028 1.00 35.22 C ATOM 925 CG TYR A 58 2.805 -4.524 -13.461 1.00 12.02 C ATOM 926 CD1 TYR A 58 3.102 -5.543 -14.357 1.00 4.11 C ATOM 927 CD2 TYR A 58 2.845 -3.214 -13.919 1.00 23.22 C ATOM 928 CE1 TYR A 58 3.431 -5.265 -15.668 1.00 12.20 C ATOM 929 CE2 TYR A 58 3.175 -2.928 -15.229 1.00 23.23 C ATOM 930 CZ TYR A 58 3.465 -3.957 -16.100 1.00 43.23 C ATOM 931 OH TYR A 58 3.793 -3.676 -17.408 1.00 51.44 O ATOM 0 H TYR A 58 0.207 -3.516 -12.019 1.00 13.43 H new ATOM 0 HA TYR A 58 0.952 -6.321 -12.466 1.00 3.02 H new ATOM 0 HB2 TYR A 58 2.520 -3.918 -11.441 1.00 35.22 H new ATOM 0 HB3 TYR A 58 3.181 -5.530 -11.623 1.00 35.22 H new ATOM 0 HD1 TYR A 58 3.075 -6.569 -14.022 1.00 4.11 H new ATOM 0 HD2 TYR A 58 2.614 -2.406 -13.240 1.00 23.22 H new ATOM 0 HE1 TYR A 58 3.661 -6.069 -16.352 1.00 12.20 H new ATOM 0 HE2 TYR A 58 3.206 -1.904 -15.570 1.00 23.23 H new ATOM 0 HH TYR A 58 3.770 -2.707 -17.550 1.00 51.44 H new ATOM 941 N GLU A 59 1.382 -6.960 -10.020 1.00 24.25 N ATOM 942 CA GLU A 59 1.420 -7.360 -8.626 1.00 13.31 C ATOM 943 C GLU A 59 2.801 -7.066 -8.052 1.00 3.01 C ATOM 944 O GLU A 59 3.804 -7.650 -8.467 1.00 32.33 O ATOM 945 CB GLU A 59 1.051 -8.838 -8.462 1.00 52.12 C ATOM 946 CG GLU A 59 1.855 -9.785 -9.338 1.00 54.12 C ATOM 947 CD GLU A 59 1.469 -11.234 -9.135 1.00 55.01 C ATOM 948 OE1 GLU A 59 1.910 -11.840 -8.136 1.00 44.22 O ATOM 949 OE2 GLU A 59 0.729 -11.778 -9.980 1.00 53.23 O ATOM 0 H GLU A 59 1.795 -7.633 -10.665 1.00 24.25 H new ATOM 0 HA GLU A 59 0.678 -6.784 -8.072 1.00 13.31 H new ATOM 0 HB2 GLU A 59 1.190 -9.121 -7.419 1.00 52.12 H new ATOM 0 HB3 GLU A 59 -0.008 -8.963 -8.688 1.00 52.12 H new ATOM 0 HG2 GLU A 59 1.710 -9.517 -10.385 1.00 54.12 H new ATOM 0 HG3 GLU A 59 2.916 -9.662 -9.122 1.00 54.12 H new ATOM 957 N LEU A 60 2.846 -6.130 -7.126 1.00 73.14 N ATOM 958 CA LEU A 60 4.102 -5.672 -6.561 1.00 4.41 C ATOM 959 C LEU A 60 4.322 -6.277 -5.183 1.00 32.00 C ATOM 960 O LEU A 60 3.446 -6.208 -4.317 1.00 74.34 O ATOM 961 CB LEU A 60 4.105 -4.144 -6.462 1.00 62.54 C ATOM 962 CG LEU A 60 3.831 -3.403 -7.773 1.00 40.45 C ATOM 963 CD1 LEU A 60 3.727 -1.907 -7.527 1.00 33.14 C ATOM 964 CD2 LEU A 60 4.918 -3.699 -8.794 1.00 51.31 C ATOM 0 H LEU A 60 2.021 -5.667 -6.745 1.00 73.14 H new ATOM 0 HA LEU A 60 4.912 -5.993 -7.216 1.00 4.41 H new ATOM 0 HB2 LEU A 60 3.356 -3.842 -5.730 1.00 62.54 H new ATOM 0 HB3 LEU A 60 5.073 -3.823 -6.078 1.00 62.54 H new ATOM 0 HG LEU A 60 2.880 -3.755 -8.173 1.00 40.45 H new ATOM 0 HD11 LEU A 60 3.532 -1.396 -8.470 1.00 33.14 H new ATOM 0 HD12 LEU A 60 2.912 -1.708 -6.831 1.00 33.14 H new ATOM 0 HD13 LEU A 60 4.663 -1.542 -7.103 1.00 33.14 H new ATOM 0 HD21 LEU A 60 4.704 -3.163 -9.719 1.00 51.31 H new ATOM 0 HD22 LEU A 60 5.883 -3.377 -8.402 1.00 51.31 H new ATOM 0 HD23 LEU A 60 4.947 -4.770 -8.994 1.00 51.31 H new ATOM 976 N SER A 61 5.484 -6.875 -4.989 1.00 25.11 N ATOM 977 CA SER A 61 5.839 -7.443 -3.704 1.00 52.51 C ATOM 978 C SER A 61 6.558 -6.399 -2.857 1.00 53.02 C ATOM 979 O SER A 61 7.687 -6.005 -3.159 1.00 22.13 O ATOM 980 CB SER A 61 6.711 -8.687 -3.901 1.00 64.44 C ATOM 981 OG SER A 61 7.717 -8.460 -4.877 1.00 42.43 O ATOM 0 H SER A 61 6.199 -6.979 -5.709 1.00 25.11 H new ATOM 0 HA SER A 61 4.932 -7.745 -3.180 1.00 52.51 H new ATOM 0 HB2 SER A 61 7.175 -8.963 -2.954 1.00 64.44 H new ATOM 0 HB3 SER A 61 6.087 -9.527 -4.207 1.00 64.44 H new ATOM 0 HG SER A 61 8.111 -7.573 -4.741 1.00 42.43 H new ATOM 987 N LEU A 62 5.890 -5.931 -1.818 1.00 34.42 N ATOM 988 CA LEU A 62 6.441 -4.888 -0.969 1.00 42.32 C ATOM 989 C LEU A 62 6.879 -5.463 0.372 1.00 62.22 C ATOM 990 O LEU A 62 6.212 -6.339 0.929 1.00 41.23 O ATOM 991 CB LEU A 62 5.402 -3.783 -0.756 1.00 24.24 C ATOM 992 CG LEU A 62 5.904 -2.549 -0.004 1.00 23.21 C ATOM 993 CD1 LEU A 62 6.978 -1.833 -0.810 1.00 30.12 C ATOM 994 CD2 LEU A 62 4.746 -1.609 0.304 1.00 22.42 C ATOM 0 H LEU A 62 4.964 -6.257 -1.541 1.00 34.42 H new ATOM 0 HA LEU A 62 7.315 -4.464 -1.463 1.00 42.32 H new ATOM 0 HB2 LEU A 62 5.027 -3.467 -1.730 1.00 24.24 H new ATOM 0 HB3 LEU A 62 4.557 -4.202 -0.210 1.00 24.24 H new ATOM 0 HG LEU A 62 6.345 -2.873 0.939 1.00 23.21 H new ATOM 0 HD11 LEU A 62 7.323 -0.958 -0.260 1.00 30.12 H new ATOM 0 HD12 LEU A 62 7.816 -2.509 -0.980 1.00 30.12 H new ATOM 0 HD13 LEU A 62 6.565 -1.519 -1.769 1.00 30.12 H new ATOM 0 HD21 LEU A 62 5.119 -0.736 0.839 1.00 22.42 H new ATOM 0 HD22 LEU A 62 4.278 -1.291 -0.628 1.00 22.42 H new ATOM 0 HD23 LEU A 62 4.012 -2.127 0.921 1.00 22.42 H new ATOM 1006 N ARG A 63 8.019 -4.993 0.865 1.00 50.30 N ATOM 1007 CA ARG A 63 8.501 -5.377 2.182 1.00 54.41 C ATOM 1008 C ARG A 63 7.530 -4.883 3.249 1.00 13.15 C ATOM 1009 O ARG A 63 7.048 -3.751 3.174 1.00 3.13 O ATOM 1010 CB ARG A 63 9.890 -4.781 2.436 1.00 23.34 C ATOM 1011 CG ARG A 63 10.522 -5.230 3.745 1.00 62.00 C ATOM 1012 CD ARG A 63 11.112 -6.627 3.636 1.00 45.30 C ATOM 1013 NE ARG A 63 12.420 -6.619 2.978 1.00 20.24 N ATOM 1014 CZ ARG A 63 12.731 -7.363 1.915 1.00 72.33 C ATOM 1015 NH1 ARG A 63 11.816 -8.136 1.346 1.00 61.14 N ATOM 1016 NH2 ARG A 63 13.960 -7.329 1.414 1.00 42.31 N ATOM 0 H ARG A 63 8.628 -4.343 0.368 1.00 50.30 H new ATOM 0 HA ARG A 63 8.570 -6.464 2.227 1.00 54.41 H new ATOM 0 HB2 ARG A 63 10.549 -5.056 1.612 1.00 23.34 H new ATOM 0 HB3 ARG A 63 9.814 -3.694 2.434 1.00 23.34 H new ATOM 0 HG2 ARG A 63 11.304 -4.526 4.032 1.00 62.00 H new ATOM 0 HG3 ARG A 63 9.772 -5.213 4.536 1.00 62.00 H new ATOM 0 HD2 ARG A 63 11.210 -7.058 4.632 1.00 45.30 H new ATOM 0 HD3 ARG A 63 10.429 -7.267 3.077 1.00 45.30 H new ATOM 0 HE ARG A 63 13.141 -6.005 3.357 1.00 20.24 H new ATOM 0 HH11 ARG A 63 10.868 -8.164 1.721 1.00 61.14 H new ATOM 0 HH12 ARG A 63 12.060 -8.702 0.534 1.00 61.14 H new ATOM 0 HH21 ARG A 63 14.669 -6.733 1.842 1.00 42.31 H new ATOM 0 HH22 ARG A 63 14.195 -7.899 0.601 1.00 42.31 H new ATOM 1030 N LYS A 64 7.246 -5.726 4.236 1.00 65.23 N ATOM 1031 CA LYS A 64 6.344 -5.352 5.325 1.00 15.15 C ATOM 1032 C LYS A 64 6.822 -4.076 6.008 1.00 11.22 C ATOM 1033 O LYS A 64 6.014 -3.238 6.401 1.00 74.31 O ATOM 1034 CB LYS A 64 6.226 -6.479 6.359 1.00 51.53 C ATOM 1035 CG LYS A 64 7.515 -6.768 7.119 1.00 42.52 C ATOM 1036 CD LYS A 64 7.303 -7.809 8.209 1.00 12.12 C ATOM 1037 CE LYS A 64 6.249 -7.366 9.214 1.00 11.32 C ATOM 1038 NZ LYS A 64 6.092 -8.347 10.321 1.00 5.54 N ATOM 0 H LYS A 64 7.625 -6.670 4.307 1.00 65.23 H new ATOM 0 HA LYS A 64 5.360 -5.175 4.890 1.00 15.15 H new ATOM 0 HB2 LYS A 64 5.446 -6.220 7.075 1.00 51.53 H new ATOM 0 HB3 LYS A 64 5.904 -7.389 5.853 1.00 51.53 H new ATOM 0 HG2 LYS A 64 8.277 -7.119 6.423 1.00 42.52 H new ATOM 0 HG3 LYS A 64 7.890 -5.846 7.564 1.00 42.52 H new ATOM 0 HD2 LYS A 64 7.000 -8.753 7.756 1.00 12.12 H new ATOM 0 HD3 LYS A 64 8.245 -7.991 8.726 1.00 12.12 H new ATOM 0 HE2 LYS A 64 6.525 -6.395 9.626 1.00 11.32 H new ATOM 0 HE3 LYS A 64 5.294 -7.237 8.705 1.00 11.32 H new ATOM 0 HZ1 LYS A 64 5.455 -7.956 11.044 1.00 5.54 H new ATOM 0 HZ2 LYS A 64 5.691 -9.231 9.947 1.00 5.54 H new ATOM 0 HZ3 LYS A 64 7.021 -8.541 10.747 1.00 5.54 H new ATOM 1052 N SER A 65 8.141 -3.928 6.114 1.00 62.10 N ATOM 1053 CA SER A 65 8.751 -2.763 6.744 1.00 54.31 C ATOM 1054 C SER A 65 8.374 -1.486 5.998 1.00 64.31 C ATOM 1055 O SER A 65 8.218 -0.426 6.604 1.00 40.43 O ATOM 1056 CB SER A 65 10.274 -2.925 6.781 1.00 71.22 C ATOM 1057 OG SER A 65 10.901 -1.823 7.418 1.00 10.41 O ATOM 0 H SER A 65 8.814 -4.611 5.766 1.00 62.10 H new ATOM 0 HA SER A 65 8.377 -2.686 7.765 1.00 54.31 H new ATOM 0 HB2 SER A 65 10.530 -3.844 7.308 1.00 71.22 H new ATOM 0 HB3 SER A 65 10.655 -3.023 5.764 1.00 71.22 H new ATOM 0 HG SER A 65 11.872 -1.959 7.426 1.00 10.41 H new ATOM 1063 N ALA A 66 8.220 -1.596 4.682 1.00 64.35 N ATOM 1064 CA ALA A 66 7.820 -0.463 3.870 1.00 51.43 C ATOM 1065 C ALA A 66 6.335 -0.188 4.055 1.00 24.13 C ATOM 1066 O ALA A 66 5.918 0.959 4.155 1.00 72.23 O ATOM 1067 CB ALA A 66 8.143 -0.715 2.406 1.00 1.12 C ATOM 0 H ALA A 66 8.367 -2.460 4.160 1.00 64.35 H new ATOM 0 HA ALA A 66 8.379 0.415 4.193 1.00 51.43 H new ATOM 0 HB1 ALA A 66 7.836 0.146 1.812 1.00 1.12 H new ATOM 0 HB2 ALA A 66 9.216 -0.870 2.292 1.00 1.12 H new ATOM 0 HB3 ALA A 66 7.609 -1.601 2.063 1.00 1.12 H new ATOM 1073 N ALA A 67 5.546 -1.257 4.127 1.00 10.34 N ATOM 1074 CA ALA A 67 4.103 -1.141 4.324 1.00 2.01 C ATOM 1075 C ALA A 67 3.783 -0.376 5.604 1.00 2.23 C ATOM 1076 O ALA A 67 2.931 0.515 5.614 1.00 0.24 O ATOM 1077 CB ALA A 67 3.459 -2.516 4.366 1.00 52.42 C ATOM 0 H ALA A 67 5.883 -2.217 4.052 1.00 10.34 H new ATOM 0 HA ALA A 67 3.695 -0.584 3.480 1.00 2.01 H new ATOM 0 HB1 ALA A 67 2.384 -2.410 4.513 1.00 52.42 H new ATOM 0 HB2 ALA A 67 3.647 -3.035 3.426 1.00 52.42 H new ATOM 0 HB3 ALA A 67 3.883 -3.091 5.189 1.00 52.42 H new ATOM 1083 N GLU A 68 4.486 -0.713 6.682 1.00 52.24 N ATOM 1084 CA GLU A 68 4.283 -0.052 7.969 1.00 44.02 C ATOM 1085 C GLU A 68 4.935 1.328 7.997 1.00 44.12 C ATOM 1086 O GLU A 68 4.878 2.032 9.005 1.00 40.54 O ATOM 1087 CB GLU A 68 4.814 -0.920 9.113 1.00 51.25 C ATOM 1088 CG GLU A 68 6.162 -1.550 8.828 1.00 54.15 C ATOM 1089 CD GLU A 68 6.685 -2.367 9.987 1.00 3.25 C ATOM 1090 OE1 GLU A 68 7.627 -1.905 10.664 1.00 22.42 O ATOM 1091 OE2 GLU A 68 6.151 -3.466 10.236 1.00 4.24 O ATOM 0 H GLU A 68 5.201 -1.440 6.690 1.00 52.24 H new ATOM 0 HA GLU A 68 3.210 0.084 8.105 1.00 44.02 H new ATOM 0 HB2 GLU A 68 4.891 -0.310 10.013 1.00 51.25 H new ATOM 0 HB3 GLU A 68 4.092 -1.709 9.323 1.00 51.25 H new ATOM 0 HG2 GLU A 68 6.081 -2.188 7.948 1.00 54.15 H new ATOM 0 HG3 GLU A 68 6.881 -0.766 8.589 1.00 54.15 H new ATOM 1099 N MET A 69 5.546 1.711 6.885 1.00 34.54 N ATOM 1100 CA MET A 69 6.150 3.026 6.759 1.00 5.44 C ATOM 1101 C MET A 69 5.361 3.861 5.746 1.00 73.55 C ATOM 1102 O MET A 69 5.665 5.028 5.500 1.00 40.03 O ATOM 1103 CB MET A 69 7.622 2.889 6.340 1.00 31.31 C ATOM 1104 CG MET A 69 8.433 4.162 6.506 1.00 2.34 C ATOM 1105 SD MET A 69 10.210 3.882 6.367 1.00 13.41 S ATOM 1106 CE MET A 69 10.505 2.856 7.804 1.00 34.42 C ATOM 0 H MET A 69 5.636 1.125 6.055 1.00 34.54 H new ATOM 0 HA MET A 69 6.119 3.536 7.722 1.00 5.44 H new ATOM 0 HB2 MET A 69 8.084 2.097 6.929 1.00 31.31 H new ATOM 0 HB3 MET A 69 7.664 2.577 5.296 1.00 31.31 H new ATOM 0 HG2 MET A 69 8.124 4.885 5.752 1.00 2.34 H new ATOM 0 HG3 MET A 69 8.214 4.603 7.479 1.00 2.34 H new ATOM 0 HE1 MET A 69 11.544 2.959 8.117 1.00 34.42 H new ATOM 0 HE2 MET A 69 9.849 3.169 8.616 1.00 34.42 H new ATOM 0 HE3 MET A 69 10.302 1.814 7.555 1.00 34.42 H new ATOM 1116 N ILE A 70 4.330 3.253 5.174 1.00 63.13 N ATOM 1117 CA ILE A 70 3.481 3.936 4.211 1.00 15.00 C ATOM 1118 C ILE A 70 2.161 4.332 4.862 1.00 31.30 C ATOM 1119 O ILE A 70 1.506 3.513 5.513 1.00 13.12 O ATOM 1120 CB ILE A 70 3.211 3.065 2.961 1.00 1.13 C ATOM 1121 CG1 ILE A 70 4.513 2.833 2.190 1.00 62.23 C ATOM 1122 CG2 ILE A 70 2.167 3.717 2.058 1.00 61.32 C ATOM 1123 CD1 ILE A 70 4.350 1.971 0.957 1.00 32.20 C ATOM 0 H ILE A 70 4.062 2.287 5.362 1.00 63.13 H new ATOM 0 HA ILE A 70 4.010 4.831 3.885 1.00 15.00 H new ATOM 0 HB ILE A 70 2.819 2.103 3.291 1.00 1.13 H new ATOM 0 HG12 ILE A 70 4.926 3.798 1.895 1.00 62.23 H new ATOM 0 HG13 ILE A 70 5.239 2.365 2.855 1.00 62.23 H new ATOM 0 HG21 ILE A 70 1.995 3.086 1.186 1.00 61.32 H new ATOM 0 HG22 ILE A 70 1.234 3.838 2.609 1.00 61.32 H new ATOM 0 HG23 ILE A 70 2.526 4.694 1.733 1.00 61.32 H new ATOM 0 HD11 ILE A 70 5.316 1.853 0.465 1.00 32.20 H new ATOM 0 HD12 ILE A 70 3.967 0.992 1.245 1.00 32.20 H new ATOM 0 HD13 ILE A 70 3.649 2.447 0.271 1.00 32.20 H new ATOM 1135 N GLU A 71 1.788 5.591 4.689 1.00 31.23 N ATOM 1136 CA GLU A 71 0.582 6.135 5.291 1.00 72.32 C ATOM 1137 C GLU A 71 -0.552 6.125 4.279 1.00 22.41 C ATOM 1138 O GLU A 71 -0.477 6.789 3.240 1.00 74.23 O ATOM 1139 CB GLU A 71 0.861 7.558 5.766 1.00 11.04 C ATOM 1140 CG GLU A 71 -0.292 8.217 6.499 1.00 5.35 C ATOM 1141 CD GLU A 71 0.176 8.970 7.728 1.00 32.43 C ATOM 1142 OE1 GLU A 71 1.165 8.539 8.355 1.00 72.40 O ATOM 1143 OE2 GLU A 71 -0.438 10.000 8.071 1.00 65.12 O ATOM 0 H GLU A 71 2.312 6.263 4.128 1.00 31.23 H new ATOM 0 HA GLU A 71 0.287 5.523 6.143 1.00 72.32 H new ATOM 0 HB2 GLU A 71 1.731 7.544 6.423 1.00 11.04 H new ATOM 0 HB3 GLU A 71 1.123 8.170 4.903 1.00 11.04 H new ATOM 0 HG2 GLU A 71 -0.805 8.904 5.826 1.00 5.35 H new ATOM 0 HG3 GLU A 71 -1.017 7.458 6.793 1.00 5.35 H new ATOM 1151 N VAL A 72 -1.594 5.366 4.574 1.00 3.23 N ATOM 1152 CA VAL A 72 -2.721 5.231 3.662 1.00 61.34 C ATOM 1153 C VAL A 72 -4.042 5.448 4.388 1.00 75.02 C ATOM 1154 O VAL A 72 -4.072 5.745 5.583 1.00 54.03 O ATOM 1155 CB VAL A 72 -2.746 3.839 2.985 1.00 13.34 C ATOM 1156 CG1 VAL A 72 -1.493 3.613 2.156 1.00 32.33 C ATOM 1157 CG2 VAL A 72 -2.900 2.735 4.020 1.00 62.42 C ATOM 0 H VAL A 72 -1.684 4.833 5.439 1.00 3.23 H new ATOM 0 HA VAL A 72 -2.595 5.996 2.895 1.00 61.34 H new ATOM 0 HB VAL A 72 -3.608 3.810 2.318 1.00 13.34 H new ATOM 0 HG11 VAL A 72 -1.537 2.628 1.692 1.00 32.33 H new ATOM 0 HG12 VAL A 72 -1.427 4.377 1.381 1.00 32.33 H new ATOM 0 HG13 VAL A 72 -0.615 3.672 2.800 1.00 32.33 H new ATOM 0 HG21 VAL A 72 -2.915 1.767 3.520 1.00 62.42 H new ATOM 0 HG22 VAL A 72 -2.063 2.770 4.717 1.00 62.42 H new ATOM 0 HG23 VAL A 72 -3.833 2.876 4.566 1.00 62.42 H new ATOM 1167 N GLU A 73 -5.127 5.317 3.647 1.00 61.34 N ATOM 1168 CA GLU A 73 -6.459 5.369 4.218 1.00 74.22 C ATOM 1169 C GLU A 73 -7.318 4.286 3.576 1.00 42.31 C ATOM 1170 O GLU A 73 -7.157 3.985 2.391 1.00 42.23 O ATOM 1171 CB GLU A 73 -7.084 6.753 4.004 1.00 64.30 C ATOM 1172 CG GLU A 73 -8.442 6.927 4.670 1.00 13.40 C ATOM 1173 CD GLU A 73 -8.406 6.610 6.152 1.00 54.13 C ATOM 1174 OE1 GLU A 73 -8.714 5.459 6.527 1.00 45.44 O ATOM 1175 OE2 GLU A 73 -8.066 7.507 6.950 1.00 5.31 O ATOM 0 H GLU A 73 -5.110 5.172 2.637 1.00 61.34 H new ATOM 0 HA GLU A 73 -6.400 5.193 5.292 1.00 74.22 H new ATOM 0 HB2 GLU A 73 -6.402 7.512 4.388 1.00 64.30 H new ATOM 0 HB3 GLU A 73 -7.190 6.931 2.934 1.00 64.30 H new ATOM 0 HG2 GLU A 73 -8.784 7.952 4.529 1.00 13.40 H new ATOM 0 HG3 GLU A 73 -9.169 6.279 4.181 1.00 13.40 H new ATOM 1183 N LEU A 74 -8.211 3.698 4.359 1.00 1.13 N ATOM 1184 CA LEU A 74 -9.068 2.629 3.870 1.00 4.43 C ATOM 1185 C LEU A 74 -10.068 3.203 2.873 1.00 21.12 C ATOM 1186 O LEU A 74 -10.925 4.014 3.236 1.00 22.14 O ATOM 1187 CB LEU A 74 -9.798 1.956 5.047 1.00 64.24 C ATOM 1188 CG LEU A 74 -10.196 0.477 4.851 1.00 34.21 C ATOM 1189 CD1 LEU A 74 -11.183 0.305 3.708 1.00 42.54 C ATOM 1190 CD2 LEU A 74 -8.963 -0.381 4.619 1.00 35.43 C ATOM 0 H LEU A 74 -8.361 3.944 5.337 1.00 1.13 H new ATOM 0 HA LEU A 74 -8.462 1.874 3.370 1.00 4.43 H new ATOM 0 HB2 LEU A 74 -9.161 2.025 5.929 1.00 64.24 H new ATOM 0 HB3 LEU A 74 -10.701 2.528 5.261 1.00 64.24 H new ATOM 0 HG LEU A 74 -10.689 0.148 5.765 1.00 34.21 H new ATOM 0 HD11 LEU A 74 -11.438 -0.750 3.603 1.00 42.54 H new ATOM 0 HD12 LEU A 74 -12.087 0.877 3.918 1.00 42.54 H new ATOM 0 HD13 LEU A 74 -10.734 0.664 2.782 1.00 42.54 H new ATOM 0 HD21 LEU A 74 -9.263 -1.420 4.483 1.00 35.43 H new ATOM 0 HD22 LEU A 74 -8.441 -0.034 3.727 1.00 35.43 H new ATOM 0 HD23 LEU A 74 -8.299 -0.305 5.480 1.00 35.43 H new ATOM 1202 N GLU A 75 -9.936 2.795 1.618 1.00 73.02 N ATOM 1203 CA GLU A 75 -10.832 3.248 0.568 1.00 1.50 C ATOM 1204 C GLU A 75 -12.245 2.758 0.824 1.00 32.43 C ATOM 1205 O GLU A 75 -12.576 1.595 0.577 1.00 43.54 O ATOM 1206 CB GLU A 75 -10.352 2.779 -0.807 1.00 1.45 C ATOM 1207 CG GLU A 75 -9.424 3.765 -1.494 1.00 12.21 C ATOM 1208 CD GLU A 75 -10.128 5.061 -1.827 1.00 43.11 C ATOM 1209 OE1 GLU A 75 -10.913 5.082 -2.797 1.00 71.13 O ATOM 1210 OE2 GLU A 75 -9.913 6.067 -1.118 1.00 40.41 O ATOM 0 H GLU A 75 -9.213 2.148 1.304 1.00 73.02 H new ATOM 0 HA GLU A 75 -10.831 4.338 0.576 1.00 1.50 H new ATOM 0 HB2 GLU A 75 -9.838 1.824 -0.697 1.00 1.45 H new ATOM 0 HB3 GLU A 75 -11.218 2.603 -1.445 1.00 1.45 H new ATOM 0 HG2 GLU A 75 -8.570 3.971 -0.848 1.00 12.21 H new ATOM 0 HG3 GLU A 75 -9.032 3.319 -2.408 1.00 12.21 H new ATOM 1218 N HIS A 76 -13.060 3.655 1.352 1.00 34.03 N ATOM 1219 CA HIS A 76 -14.462 3.376 1.591 1.00 3.40 C ATOM 1220 C HIS A 76 -15.132 3.102 0.259 1.00 53.11 C ATOM 1221 O HIS A 76 -15.233 3.992 -0.584 1.00 11.04 O ATOM 1222 CB HIS A 76 -15.126 4.567 2.291 1.00 62.13 C ATOM 1223 CG HIS A 76 -14.347 5.070 3.470 1.00 12.54 C ATOM 1224 ND1 HIS A 76 -13.814 6.341 3.532 1.00 61.41 N ATOM 1225 CD2 HIS A 76 -13.991 4.461 4.625 1.00 50.32 C ATOM 1226 CE1 HIS A 76 -13.163 6.487 4.671 1.00 41.20 C ATOM 1227 NE2 HIS A 76 -13.252 5.361 5.354 1.00 22.44 N ATOM 0 H HIS A 76 -12.768 4.593 1.626 1.00 34.03 H new ATOM 0 HA HIS A 76 -14.564 2.505 2.239 1.00 3.40 H new ATOM 0 HB2 HIS A 76 -15.251 5.378 1.574 1.00 62.13 H new ATOM 0 HB3 HIS A 76 -16.124 4.276 2.620 1.00 62.13 H new ATOM 0 HD2 HIS A 76 -14.242 3.453 4.920 1.00 50.32 H new ATOM 0 HE1 HIS A 76 -12.644 7.379 4.991 1.00 41.20 H new ATOM 0 HE2 HIS A 76 -12.840 5.188 6.271 1.00 22.44 H new ATOM 1236 N HIS A 77 -15.555 1.866 0.059 1.00 54.14 N ATOM 1237 CA HIS A 77 -16.069 1.440 -1.231 1.00 4.32 C ATOM 1238 C HIS A 77 -17.566 1.174 -1.181 1.00 2.44 C ATOM 1239 O HIS A 77 -18.013 0.054 -0.932 1.00 41.30 O ATOM 1240 CB HIS A 77 -15.298 0.215 -1.762 1.00 30.53 C ATOM 1241 CG HIS A 77 -15.033 -0.859 -0.742 1.00 63.44 C ATOM 1242 ND1 HIS A 77 -13.947 -0.832 0.107 1.00 62.15 N ATOM 1243 CD2 HIS A 77 -15.711 -1.993 -0.443 1.00 34.42 C ATOM 1244 CE1 HIS A 77 -13.968 -1.902 0.879 1.00 2.42 C ATOM 1245 NE2 HIS A 77 -15.029 -2.623 0.569 1.00 32.02 N ATOM 0 H HIS A 77 -15.553 1.139 0.774 1.00 54.14 H new ATOM 0 HA HIS A 77 -15.911 2.261 -1.931 1.00 4.32 H new ATOM 0 HB2 HIS A 77 -15.861 -0.220 -2.588 1.00 30.53 H new ATOM 0 HB3 HIS A 77 -14.345 0.552 -2.169 1.00 30.53 H new ATOM 0 HD1 HIS A 77 -13.238 -0.099 0.134 1.00 62.15 H new ATOM 0 HD2 HIS A 77 -16.620 -2.338 -0.913 1.00 34.42 H new ATOM 0 HE1 HIS A 77 -13.239 -2.147 1.637 1.00 2.42 H new ATOM 1254 N HIS A 78 -18.332 2.231 -1.387 1.00 72.55 N ATOM 1255 CA HIS A 78 -19.775 2.128 -1.515 1.00 24.24 C ATOM 1256 C HIS A 78 -20.182 2.713 -2.860 1.00 43.12 C ATOM 1257 O HIS A 78 -21.083 2.209 -3.524 1.00 53.32 O ATOM 1258 CB HIS A 78 -20.482 2.863 -0.370 1.00 2.23 C ATOM 1259 CG HIS A 78 -21.968 2.654 -0.353 1.00 23.44 C ATOM 1260 ND1 HIS A 78 -22.874 3.638 -0.679 1.00 72.40 N ATOM 1261 CD2 HIS A 78 -22.702 1.557 -0.047 1.00 64.01 C ATOM 1262 CE1 HIS A 78 -24.099 3.158 -0.576 1.00 2.22 C ATOM 1263 NE2 HIS A 78 -24.022 1.900 -0.193 1.00 45.53 N ATOM 0 H HIS A 78 -17.973 3.182 -1.470 1.00 72.55 H new ATOM 0 HA HIS A 78 -20.072 1.081 -1.460 1.00 24.24 H new ATOM 0 HB2 HIS A 78 -20.065 2.527 0.579 1.00 2.23 H new ATOM 0 HB3 HIS A 78 -20.274 3.930 -0.450 1.00 2.23 H new ATOM 0 HD1 HIS A 78 -22.636 4.590 -0.957 1.00 72.40 H new ATOM 0 HD2 HIS A 78 -22.319 0.593 0.255 1.00 64.01 H new ATOM 0 HE1 HIS A 78 -25.010 3.704 -0.772 1.00 2.22 H new ATOM 1272 N HIS A 79 -19.491 3.787 -3.234 1.00 51.01 N ATOM 1273 CA HIS A 79 -19.584 4.389 -4.562 1.00 61.24 C ATOM 1274 C HIS A 79 -21.011 4.790 -4.919 1.00 10.13 C ATOM 1275 O HIS A 79 -21.425 4.668 -6.074 1.00 15.42 O ATOM 1276 CB HIS A 79 -19.030 3.428 -5.613 1.00 2.51 C ATOM 1277 CG HIS A 79 -18.263 4.119 -6.691 1.00 12.00 C ATOM 1278 ND1 HIS A 79 -18.843 4.624 -7.833 1.00 63.33 N ATOM 1279 CD2 HIS A 79 -16.944 4.398 -6.788 1.00 2.32 C ATOM 1280 CE1 HIS A 79 -17.915 5.183 -8.584 1.00 25.52 C ATOM 1281 NE2 HIS A 79 -16.754 5.059 -7.973 1.00 61.10 N ATOM 0 H HIS A 79 -18.841 4.271 -2.614 1.00 51.01 H new ATOM 0 HA HIS A 79 -18.987 5.301 -4.547 1.00 61.24 H new ATOM 0 HB2 HIS A 79 -18.383 2.699 -5.125 1.00 2.51 H new ATOM 0 HB3 HIS A 79 -19.855 2.873 -6.060 1.00 2.51 H new ATOM 0 HD2 HIS A 79 -16.182 4.147 -6.066 1.00 2.32 H new ATOM 0 HE1 HIS A 79 -18.078 5.662 -9.538 1.00 25.52 H new ATOM 0 HE2 HIS A 79 -15.859 5.400 -8.325 1.00 61.10 H new ATOM 1290 N HIS A 80 -21.748 5.293 -3.942 1.00 63.13 N ATOM 1291 CA HIS A 80 -23.110 5.744 -4.177 1.00 11.44 C ATOM 1292 C HIS A 80 -23.620 6.527 -2.977 1.00 43.21 C ATOM 1293 O HIS A 80 -23.574 6.042 -1.847 1.00 10.43 O ATOM 1294 CB HIS A 80 -24.033 4.553 -4.456 1.00 32.32 C ATOM 1295 CG HIS A 80 -25.290 4.928 -5.180 1.00 52.04 C ATOM 1296 ND1 HIS A 80 -25.476 4.691 -6.525 1.00 53.30 N ATOM 1297 CD2 HIS A 80 -26.422 5.530 -4.747 1.00 50.31 C ATOM 1298 CE1 HIS A 80 -26.664 5.133 -6.888 1.00 32.33 C ATOM 1299 NE2 HIS A 80 -27.258 5.645 -5.829 1.00 63.04 N ATOM 0 H HIS A 80 -21.427 5.399 -2.980 1.00 63.13 H new ATOM 0 HA HIS A 80 -23.109 6.395 -5.051 1.00 11.44 H new ATOM 0 HB2 HIS A 80 -23.491 3.813 -5.045 1.00 32.32 H new ATOM 0 HB3 HIS A 80 -24.295 4.078 -3.511 1.00 32.32 H new ATOM 0 HD2 HIS A 80 -26.629 5.858 -3.739 1.00 50.31 H new ATOM 0 HE1 HIS A 80 -27.079 5.084 -7.884 1.00 32.33 H new ATOM 0 HE2 HIS A 80 -28.190 6.060 -5.816 1.00 63.04 H new ATOM 1308 N HIS A 81 -24.087 7.739 -3.225 1.00 41.23 N ATOM 1309 CA HIS A 81 -24.660 8.558 -2.172 1.00 43.42 C ATOM 1310 C HIS A 81 -26.156 8.282 -2.069 1.00 63.15 C ATOM 1311 O HIS A 81 -26.545 7.361 -1.321 1.00 38.58 O ATOM 1312 CB HIS A 81 -24.406 10.043 -2.458 1.00 34.20 C ATOM 1313 CG HIS A 81 -24.729 10.949 -1.305 1.00 61.31 C ATOM 1314 ND1 HIS A 81 -23.761 11.518 -0.506 1.00 24.42 N ATOM 1315 CD2 HIS A 81 -25.914 11.393 -0.824 1.00 63.25 C ATOM 1316 CE1 HIS A 81 -24.334 12.269 0.414 1.00 14.44 C ATOM 1317 NE2 HIS A 81 -25.639 12.211 0.244 1.00 10.22 N ATOM 1318 OXT HIS A 81 -26.932 8.976 -2.753 1.00 38.58 O ATOM 0 H HIS A 81 -24.080 8.177 -4.146 1.00 41.23 H new ATOM 0 HA HIS A 81 -24.187 8.307 -1.223 1.00 43.42 H new ATOM 0 HB2 HIS A 81 -23.359 10.177 -2.730 1.00 34.20 H new ATOM 0 HB3 HIS A 81 -25.000 10.343 -3.321 1.00 34.20 H new ATOM 0 HD2 HIS A 81 -26.893 11.149 -1.209 1.00 63.25 H new ATOM 0 HE1 HIS A 81 -23.821 12.835 1.177 1.00 14.44 H new ATOM 0 HE2 HIS A 81 -26.333 12.695 0.814 1.00 10.22 H new TER 1327 HIS A 81