USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=16 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 1 MET CE :methyl -105:sc= -2.6! (180deg=-0.364) USER MOD Set 1.2: A 3 SER OG : rot -120:sc= -0.0273 USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0845 (180deg=-0.175) USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= -0.0217 (180deg=-0.237) USER MOD Single : A 9 CYS SG : rot 180:sc= -1.75! USER MOD Single : A 11 GLN : amide:sc= -3.06! K(o=-3.1!,f=-0.1) 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 19 HIS : no HD1:sc= 0.605 K(o=0.6,f=-5.6!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.785 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 164:sc= -0.158 (180deg=-0.699) USER MOD Single : A 31 MET CE :methyl -138:sc= -4.55! (180deg=-5.65!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -91:sc= 1.16 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.0247 K(o=-0.025,f=-2.2!) 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 64 LYS NZ :NH3+ -148:sc= 1.26 (180deg=0.126) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 81 HIS : no HD1:sc= -0.216 X(o=-0.22,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.450 4.665 13.816 1.00 21.32 N ATOM 2 CA MET A 1 -0.382 5.014 12.379 1.00 2.13 C ATOM 3 C MET A 1 -1.253 4.060 11.572 1.00 53.13 C ATOM 4 O MET A 1 -1.587 2.972 12.043 1.00 42.43 O ATOM 5 CB MET A 1 1.071 4.960 11.887 1.00 23.45 C ATOM 6 CG MET A 1 1.687 3.568 11.911 1.00 54.04 C ATOM 7 SD MET A 1 3.468 3.584 11.599 1.00 35.31 S ATOM 8 CE MET A 1 3.538 4.389 9.999 1.00 13.54 C ATOM 0 H1 MET A 1 0.512 4.627 14.210 1.00 21.32 H new ATOM 0 H2 MET A 1 -1.003 5.385 14.322 1.00 21.32 H new ATOM 0 H3 MET A 1 -0.906 3.737 13.927 1.00 21.32 H new ATOM 0 HA MET A 1 -0.754 6.029 12.243 1.00 2.13 H new ATOM 0 HB2 MET A 1 1.112 5.346 10.868 1.00 23.45 H new ATOM 0 HB3 MET A 1 1.677 5.624 12.504 1.00 23.45 H new ATOM 0 HG2 MET A 1 1.497 3.108 12.881 1.00 54.04 H new ATOM 0 HG3 MET A 1 1.197 2.946 11.162 1.00 54.04 H new ATOM 0 HE1 MET A 1 3.747 3.648 9.228 1.00 13.54 H new ATOM 0 HE2 MET A 1 2.582 4.870 9.791 1.00 13.54 H new ATOM 0 HE3 MET A 1 4.328 5.140 10.004 1.00 13.54 H new ATOM 18 N PHE A 2 -1.623 4.462 10.366 1.00 13.22 N ATOM 19 CA PHE A 2 -2.434 3.617 9.507 1.00 72.51 C ATOM 20 C PHE A 2 -1.781 3.518 8.142 1.00 15.14 C ATOM 21 O PHE A 2 -1.980 4.367 7.272 1.00 22.12 O ATOM 22 CB PHE A 2 -3.863 4.155 9.386 1.00 23.14 C ATOM 23 CG PHE A 2 -4.806 3.204 8.697 1.00 64.10 C ATOM 24 CD1 PHE A 2 -5.351 2.134 9.386 1.00 43.54 C ATOM 25 CD2 PHE A 2 -5.143 3.379 7.364 1.00 61.33 C ATOM 26 CE1 PHE A 2 -6.216 1.256 8.760 1.00 51.21 C ATOM 27 CE2 PHE A 2 -6.006 2.506 6.733 1.00 70.53 C ATOM 28 CZ PHE A 2 -6.543 1.442 7.431 1.00 63.41 C ATOM 0 H PHE A 2 -1.375 5.365 9.962 1.00 13.22 H new ATOM 0 HA PHE A 2 -2.498 2.624 9.951 1.00 72.51 H new ATOM 0 HB2 PHE A 2 -4.246 4.375 10.383 1.00 23.14 H new ATOM 0 HB3 PHE A 2 -3.843 5.096 8.837 1.00 23.14 H new ATOM 0 HD1 PHE A 2 -5.097 1.983 10.425 1.00 43.54 H new ATOM 0 HD2 PHE A 2 -4.725 4.208 6.812 1.00 61.33 H new ATOM 0 HE1 PHE A 2 -6.635 0.426 9.309 1.00 51.21 H new ATOM 0 HE2 PHE A 2 -6.261 2.655 5.694 1.00 70.53 H new ATOM 0 HZ PHE A 2 -7.217 0.757 6.939 1.00 63.41 H new ATOM 38 N SER A 3 -0.976 2.492 7.971 1.00 72.34 N ATOM 39 CA SER A 3 -0.223 2.320 6.752 1.00 11.32 C ATOM 40 C SER A 3 -0.688 1.083 5.995 1.00 73.03 C ATOM 41 O SER A 3 -1.637 0.411 6.402 1.00 24.32 O ATOM 42 CB SER A 3 1.264 2.230 7.083 1.00 11.13 C ATOM 43 OG SER A 3 1.683 3.388 7.781 1.00 34.23 O ATOM 0 H SER A 3 -0.827 1.761 8.667 1.00 72.34 H new ATOM 0 HA SER A 3 -0.392 3.181 6.105 1.00 11.32 H new ATOM 0 HB2 SER A 3 1.456 1.343 7.687 1.00 11.13 H new ATOM 0 HB3 SER A 3 1.842 2.121 6.165 1.00 11.13 H new ATOM 0 HG SER A 3 2.387 3.841 7.271 1.00 34.23 H new ATOM 49 N LEU A 4 -0.016 0.797 4.892 1.00 72.32 N ATOM 50 CA LEU A 4 -0.356 -0.331 4.034 1.00 11.14 C ATOM 51 C LEU A 4 -0.222 -1.654 4.789 1.00 24.03 C ATOM 52 O LEU A 4 -0.841 -2.654 4.434 1.00 73.33 O ATOM 53 CB LEU A 4 0.558 -0.318 2.808 1.00 41.23 C ATOM 54 CG LEU A 4 0.120 -1.213 1.652 1.00 43.31 C ATOM 55 CD1 LEU A 4 -1.272 -0.828 1.183 1.00 13.30 C ATOM 56 CD2 LEU A 4 1.110 -1.111 0.506 1.00 42.24 C ATOM 0 H LEU A 4 0.783 1.340 4.564 1.00 72.32 H new ATOM 0 HA LEU A 4 -1.395 -0.237 3.717 1.00 11.14 H new ATOM 0 HB2 LEU A 4 0.633 0.706 2.443 1.00 41.23 H new ATOM 0 HB3 LEU A 4 1.558 -0.619 3.119 1.00 41.23 H new ATOM 0 HG LEU A 4 0.094 -2.245 2.001 1.00 43.31 H new ATOM 0 HD11 LEU A 4 -1.570 -1.475 0.358 1.00 13.30 H new ATOM 0 HD12 LEU A 4 -1.977 -0.941 2.006 1.00 13.30 H new ATOM 0 HD13 LEU A 4 -1.269 0.209 0.847 1.00 13.30 H new ATOM 0 HD21 LEU A 4 0.787 -1.754 -0.313 1.00 42.24 H new ATOM 0 HD22 LEU A 4 1.160 -0.079 0.159 1.00 42.24 H new ATOM 0 HD23 LEU A 4 2.096 -1.427 0.848 1.00 42.24 H new ATOM 68 N ARG A 5 0.574 -1.636 5.848 1.00 10.00 N ATOM 69 CA ARG A 5 0.795 -2.817 6.672 1.00 31.22 C ATOM 70 C ARG A 5 -0.382 -3.045 7.626 1.00 1.40 C ATOM 71 O ARG A 5 -0.497 -4.104 8.241 1.00 33.41 O ATOM 72 CB ARG A 5 2.105 -2.650 7.466 1.00 11.03 C ATOM 73 CG ARG A 5 2.016 -1.629 8.590 1.00 30.34 C ATOM 74 CD ARG A 5 1.789 -2.297 9.938 1.00 52.44 C ATOM 75 NE ARG A 5 1.155 -1.394 10.890 1.00 14.04 N ATOM 76 CZ ARG A 5 1.347 -1.426 12.205 1.00 15.34 C ATOM 77 NH1 ARG A 5 2.246 -2.250 12.732 1.00 43.15 N ATOM 78 NH2 ARG A 5 0.639 -0.627 12.989 1.00 4.32 N ATOM 0 H ARG A 5 1.082 -0.808 6.160 1.00 10.00 H new ATOM 0 HA ARG A 5 0.874 -3.690 6.024 1.00 31.22 H new ATOM 0 HB2 ARG A 5 2.390 -3.615 7.886 1.00 11.03 H new ATOM 0 HB3 ARG A 5 2.899 -2.354 6.781 1.00 11.03 H new ATOM 0 HG2 ARG A 5 2.935 -1.043 8.624 1.00 30.34 H new ATOM 0 HG3 ARG A 5 1.202 -0.933 8.387 1.00 30.34 H new ATOM 0 HD2 ARG A 5 1.165 -3.181 9.805 1.00 52.44 H new ATOM 0 HD3 ARG A 5 2.743 -2.637 10.340 1.00 52.44 H new ATOM 0 HE ARG A 5 0.519 -0.687 10.521 1.00 14.04 H new ATOM 0 HH11 ARG A 5 2.793 -2.862 12.127 1.00 43.15 H new ATOM 0 HH12 ARG A 5 2.389 -2.270 13.742 1.00 43.15 H new ATOM 0 HH21 ARG A 5 -0.048 0.008 12.583 1.00 4.32 H new ATOM 0 HH22 ARG A 5 0.781 -0.646 13.999 1.00 4.32 H new ATOM 92 N ASP A 6 -1.247 -2.042 7.746 1.00 51.42 N ATOM 93 CA ASP A 6 -2.352 -2.086 8.703 1.00 44.31 C ATOM 94 C ASP A 6 -3.617 -2.657 8.078 1.00 1.42 C ATOM 95 O ASP A 6 -4.522 -3.097 8.788 1.00 54.42 O ATOM 96 CB ASP A 6 -2.652 -0.685 9.249 1.00 40.10 C ATOM 97 CG ASP A 6 -1.547 -0.140 10.129 1.00 35.54 C ATOM 98 OD1 ASP A 6 -1.692 -0.180 11.368 1.00 13.21 O ATOM 99 OD2 ASP A 6 -0.522 0.328 9.590 1.00 1.21 O ATOM 0 H ASP A 6 -1.205 -1.187 7.192 1.00 51.42 H new ATOM 0 HA ASP A 6 -2.040 -2.740 9.518 1.00 44.31 H new ATOM 0 HB2 ASP A 6 -2.813 -0.003 8.414 1.00 40.10 H new ATOM 0 HB3 ASP A 6 -3.581 -0.715 9.819 1.00 40.10 H new ATOM 105 N ALA A 7 -3.674 -2.660 6.753 1.00 12.12 N ATOM 106 CA ALA A 7 -4.884 -3.057 6.043 1.00 35.11 C ATOM 107 C ALA A 7 -5.007 -4.577 5.920 1.00 25.40 C ATOM 108 O ALA A 7 -4.147 -5.326 6.384 1.00 14.45 O ATOM 109 CB ALA A 7 -4.917 -2.407 4.669 1.00 65.23 C ATOM 0 H ALA A 7 -2.898 -2.392 6.148 1.00 12.12 H new ATOM 0 HA ALA A 7 -5.738 -2.712 6.626 1.00 35.11 H new ATOM 0 HB1 ALA A 7 -5.824 -2.709 4.145 1.00 65.23 H new ATOM 0 HB2 ALA A 7 -4.905 -1.323 4.779 1.00 65.23 H new ATOM 0 HB3 ALA A 7 -4.045 -2.723 4.096 1.00 65.23 H new ATOM 115 N LYS A 8 -6.094 -5.021 5.294 1.00 30.11 N ATOM 116 CA LYS A 8 -6.369 -6.445 5.134 1.00 72.11 C ATOM 117 C LYS A 8 -6.151 -6.863 3.681 1.00 33.32 C ATOM 118 O LYS A 8 -5.751 -6.052 2.847 1.00 40.42 O ATOM 119 CB LYS A 8 -7.813 -6.787 5.552 1.00 52.14 C ATOM 120 CG LYS A 8 -8.195 -6.351 6.964 1.00 14.12 C ATOM 121 CD LYS A 8 -8.559 -4.874 7.023 1.00 50.43 C ATOM 122 CE LYS A 8 -9.001 -4.457 8.417 1.00 12.51 C ATOM 123 NZ LYS A 8 -10.223 -5.181 8.857 1.00 53.14 N ATOM 0 H LYS A 8 -6.802 -4.410 4.887 1.00 30.11 H new ATOM 0 HA LYS A 8 -5.682 -6.990 5.781 1.00 72.11 H new ATOM 0 HB2 LYS A 8 -8.500 -6.321 4.846 1.00 52.14 H new ATOM 0 HB3 LYS A 8 -7.954 -7.865 5.470 1.00 52.14 H new ATOM 0 HG2 LYS A 8 -9.039 -6.947 7.312 1.00 14.12 H new ATOM 0 HG3 LYS A 8 -7.364 -6.548 7.642 1.00 14.12 H new ATOM 0 HD2 LYS A 8 -7.700 -4.275 6.720 1.00 50.43 H new ATOM 0 HD3 LYS A 8 -9.358 -4.668 6.311 1.00 50.43 H new ATOM 0 HE2 LYS A 8 -8.194 -4.646 9.124 1.00 12.51 H new ATOM 0 HE3 LYS A 8 -9.192 -3.384 8.430 1.00 12.51 H new ATOM 0 HZ1 LYS A 8 -10.614 -4.719 9.703 1.00 53.14 H new ATOM 0 HZ2 LYS A 8 -10.930 -5.164 8.095 1.00 53.14 H new ATOM 0 HZ3 LYS A 8 -9.980 -6.167 9.082 1.00 53.14 H new ATOM 137 N CYS A 9 -6.434 -8.125 3.382 1.00 32.24 N ATOM 138 CA CYS A 9 -6.271 -8.645 2.031 1.00 32.10 C ATOM 139 C CYS A 9 -7.481 -8.297 1.171 1.00 62.54 C ATOM 140 O CYS A 9 -8.616 -8.324 1.648 1.00 1.02 O ATOM 141 CB CYS A 9 -6.096 -10.162 2.070 1.00 12.43 C ATOM 142 SG CYS A 9 -4.812 -10.729 3.205 1.00 21.12 S ATOM 0 H CYS A 9 -6.778 -8.807 4.058 1.00 32.24 H new ATOM 0 HA CYS A 9 -5.383 -8.187 1.595 1.00 32.10 H new ATOM 0 HB2 CYS A 9 -7.044 -10.619 2.354 1.00 12.43 H new ATOM 0 HB3 CYS A 9 -5.860 -10.515 1.066 1.00 12.43 H new ATOM 0 HG CYS A 9 -4.742 -12.027 3.168 1.00 21.12 H new ATOM 148 N GLY A 10 -7.236 -7.959 -0.089 1.00 44.24 N ATOM 149 CA GLY A 10 -8.321 -7.665 -1.008 1.00 31.34 C ATOM 150 C GLY A 10 -8.873 -6.265 -0.836 1.00 12.05 C ATOM 151 O GLY A 10 -9.855 -5.895 -1.478 1.00 74.31 O ATOM 0 H GLY A 10 -6.302 -7.883 -0.493 1.00 44.24 H new ATOM 0 HA2 GLY A 10 -7.967 -7.788 -2.032 1.00 31.34 H new ATOM 0 HA3 GLY A 10 -9.123 -8.388 -0.859 1.00 31.34 H new ATOM 155 N GLN A 11 -8.238 -5.481 0.019 1.00 71.23 N ATOM 156 CA GLN A 11 -8.710 -4.138 0.316 1.00 72.34 C ATOM 157 C GLN A 11 -8.151 -3.126 -0.673 1.00 4.01 C ATOM 158 O GLN A 11 -7.030 -3.268 -1.159 1.00 73.30 O ATOM 159 CB GLN A 11 -8.319 -3.739 1.739 1.00 24.43 C ATOM 160 CG GLN A 11 -8.943 -4.616 2.812 1.00 12.14 C ATOM 161 CD GLN A 11 -10.458 -4.554 2.825 1.00 3.44 C ATOM 162 OE1 GLN A 11 -11.122 -5.528 3.163 1.00 2.01 O ATOM 163 NE2 GLN A 11 -11.016 -3.402 2.477 1.00 44.53 N ATOM 0 H GLN A 11 -7.392 -5.752 0.521 1.00 71.23 H new ATOM 0 HA GLN A 11 -9.796 -4.141 0.228 1.00 72.34 H new ATOM 0 HB2 GLN A 11 -7.234 -3.781 1.834 1.00 24.43 H new ATOM 0 HB3 GLN A 11 -8.614 -2.704 1.911 1.00 24.43 H new ATOM 0 HG2 GLN A 11 -8.629 -5.648 2.657 1.00 12.14 H new ATOM 0 HG3 GLN A 11 -8.565 -4.311 3.788 1.00 12.14 H new ATOM 0 HE21 GLN A 11 -10.430 -2.614 2.202 1.00 44.53 H new ATOM 0 HE22 GLN A 11 -12.031 -3.304 2.485 1.00 44.53 H new ATOM 172 N THR A 12 -8.946 -2.112 -0.975 1.00 62.22 N ATOM 173 CA THR A 12 -8.497 -1.017 -1.815 1.00 74.10 C ATOM 174 C THR A 12 -8.191 0.202 -0.954 1.00 30.13 C ATOM 175 O THR A 12 -9.099 0.852 -0.438 1.00 31.30 O ATOM 176 CB THR A 12 -9.560 -0.647 -2.867 1.00 44.34 C ATOM 177 OG1 THR A 12 -9.926 -1.811 -3.623 1.00 51.13 O ATOM 178 CG2 THR A 12 -9.042 0.431 -3.809 1.00 13.13 C ATOM 0 H THR A 12 -9.909 -2.026 -0.649 1.00 62.22 H new ATOM 0 HA THR A 12 -7.595 -1.340 -2.336 1.00 74.10 H new ATOM 0 HB THR A 12 -10.435 -0.260 -2.345 1.00 44.34 H new ATOM 0 HG1 THR A 12 -10.603 -1.569 -4.289 1.00 51.13 H new ATOM 0 HG21 THR A 12 -9.811 0.674 -4.542 1.00 13.13 H new ATOM 0 HG22 THR A 12 -8.791 1.324 -3.237 1.00 13.13 H new ATOM 0 HG23 THR A 12 -8.153 0.068 -4.324 1.00 13.13 H new ATOM 186 N VAL A 13 -6.913 0.496 -0.787 1.00 23.04 N ATOM 187 CA VAL A 13 -6.490 1.617 0.037 1.00 72.33 C ATOM 188 C VAL A 13 -5.847 2.695 -0.821 1.00 20.11 C ATOM 189 O VAL A 13 -5.423 2.431 -1.945 1.00 51.11 O ATOM 190 CB VAL A 13 -5.481 1.178 1.121 1.00 24.22 C ATOM 191 CG1 VAL A 13 -6.113 0.188 2.085 1.00 31.31 C ATOM 192 CG2 VAL A 13 -4.240 0.582 0.479 1.00 23.21 C ATOM 0 H VAL A 13 -6.148 -0.027 -1.212 1.00 23.04 H new ATOM 0 HA VAL A 13 -7.382 2.010 0.525 1.00 72.33 H new ATOM 0 HB VAL A 13 -5.188 2.060 1.690 1.00 24.22 H new ATOM 0 HG11 VAL A 13 -5.381 -0.105 2.838 1.00 31.31 H new ATOM 0 HG12 VAL A 13 -6.970 0.652 2.573 1.00 31.31 H new ATOM 0 HG13 VAL A 13 -6.442 -0.695 1.536 1.00 31.31 H new ATOM 0 HG21 VAL A 13 -3.539 0.278 1.256 1.00 23.21 H new ATOM 0 HG22 VAL A 13 -4.520 -0.286 -0.117 1.00 23.21 H new ATOM 0 HG23 VAL A 13 -3.769 1.326 -0.163 1.00 23.21 H new ATOM 202 N LYS A 14 -5.795 3.908 -0.302 1.00 32.44 N ATOM 203 CA LYS A 14 -5.191 5.017 -1.021 1.00 5.14 C ATOM 204 C LYS A 14 -4.028 5.601 -0.242 1.00 62.22 C ATOM 205 O LYS A 14 -4.079 5.705 0.979 1.00 40.21 O ATOM 206 CB LYS A 14 -6.235 6.091 -1.306 1.00 45.15 C ATOM 207 CG LYS A 14 -7.327 5.613 -2.242 1.00 74.13 C ATOM 208 CD LYS A 14 -8.278 6.730 -2.617 1.00 30.53 C ATOM 209 CE LYS A 14 -7.599 7.789 -3.465 1.00 61.11 C ATOM 210 NZ LYS A 14 -8.546 8.860 -3.868 1.00 25.03 N ATOM 0 H LYS A 14 -6.164 4.152 0.617 1.00 32.44 H new ATOM 0 HA LYS A 14 -4.806 4.641 -1.969 1.00 5.14 H new ATOM 0 HB2 LYS A 14 -6.683 6.414 -0.367 1.00 45.15 H new ATOM 0 HB3 LYS A 14 -5.745 6.962 -1.741 1.00 45.15 H new ATOM 0 HG2 LYS A 14 -6.877 5.201 -3.145 1.00 74.13 H new ATOM 0 HG3 LYS A 14 -7.884 4.806 -1.767 1.00 74.13 H new ATOM 0 HD2 LYS A 14 -9.126 6.317 -3.163 1.00 30.53 H new ATOM 0 HD3 LYS A 14 -8.674 7.189 -1.711 1.00 30.53 H new ATOM 0 HE2 LYS A 14 -6.771 8.226 -2.907 1.00 61.11 H new ATOM 0 HE3 LYS A 14 -7.174 7.325 -4.355 1.00 61.11 H new ATOM 0 HZ1 LYS A 14 -8.046 9.566 -4.446 1.00 25.03 H new ATOM 0 HZ2 LYS A 14 -9.323 8.446 -4.422 1.00 25.03 H new ATOM 0 HZ3 LYS A 14 -8.933 9.319 -3.019 1.00 25.03 H new ATOM 224 N VAL A 15 -2.990 5.983 -0.958 1.00 3.51 N ATOM 225 CA VAL A 15 -1.771 6.493 -0.333 1.00 15.40 C ATOM 226 C VAL A 15 -1.931 7.952 0.080 1.00 31.43 C ATOM 227 O VAL A 15 -2.412 8.776 -0.702 1.00 73.05 O ATOM 228 CB VAL A 15 -0.560 6.361 -1.281 1.00 74.24 C ATOM 229 CG1 VAL A 15 0.709 6.882 -0.624 1.00 42.44 C ATOM 230 CG2 VAL A 15 -0.385 4.916 -1.714 1.00 5.41 C ATOM 0 H VAL A 15 -2.959 5.952 -1.977 1.00 3.51 H new ATOM 0 HA VAL A 15 -1.593 5.890 0.557 1.00 15.40 H new ATOM 0 HB VAL A 15 -0.752 6.969 -2.165 1.00 74.24 H new ATOM 0 HG11 VAL A 15 1.546 6.777 -1.314 1.00 42.44 H new ATOM 0 HG12 VAL A 15 0.581 7.934 -0.367 1.00 42.44 H new ATOM 0 HG13 VAL A 15 0.911 6.310 0.281 1.00 42.44 H new ATOM 0 HG21 VAL A 15 0.473 4.838 -2.382 1.00 5.41 H new ATOM 0 HG22 VAL A 15 -0.220 4.291 -0.837 1.00 5.41 H new ATOM 0 HG23 VAL A 15 -1.282 4.581 -2.234 1.00 5.41 H new ATOM 240 N VAL A 16 -1.538 8.270 1.308 1.00 41.40 N ATOM 241 CA VAL A 16 -1.619 9.644 1.793 1.00 74.30 C ATOM 242 C VAL A 16 -0.245 10.210 2.142 1.00 40.20 C ATOM 243 O VAL A 16 0.060 11.357 1.810 1.00 70.41 O ATOM 244 CB VAL A 16 -2.575 9.787 3.003 1.00 14.34 C ATOM 245 CG1 VAL A 16 -4.022 9.598 2.569 1.00 2.24 C ATOM 246 CG2 VAL A 16 -2.223 8.803 4.109 1.00 3.13 C ATOM 0 H VAL A 16 -1.163 7.602 1.982 1.00 41.40 H new ATOM 0 HA VAL A 16 -2.031 10.226 0.969 1.00 74.30 H new ATOM 0 HB VAL A 16 -2.456 10.795 3.400 1.00 14.34 H new ATOM 0 HG11 VAL A 16 -4.678 9.702 3.433 1.00 2.24 H new ATOM 0 HG12 VAL A 16 -4.280 10.351 1.825 1.00 2.24 H new ATOM 0 HG13 VAL A 16 -4.146 8.605 2.138 1.00 2.24 H new ATOM 0 HG21 VAL A 16 -2.913 8.930 4.943 1.00 3.13 H new ATOM 0 HG22 VAL A 16 -2.299 7.785 3.728 1.00 3.13 H new ATOM 0 HG23 VAL A 16 -1.204 8.988 4.450 1.00 3.13 H new ATOM 256 N LYS A 17 0.583 9.415 2.800 1.00 74.34 N ATOM 257 CA LYS A 17 1.928 9.845 3.160 1.00 20.05 C ATOM 258 C LYS A 17 2.934 8.743 2.874 1.00 15.40 C ATOM 259 O LYS A 17 2.563 7.579 2.735 1.00 13.31 O ATOM 260 CB LYS A 17 2.003 10.250 4.637 1.00 62.20 C ATOM 261 CG LYS A 17 1.275 11.547 4.961 1.00 10.43 C ATOM 262 CD LYS A 17 1.540 11.991 6.392 1.00 3.10 C ATOM 263 CE LYS A 17 0.901 11.052 7.401 1.00 53.12 C ATOM 264 NZ LYS A 17 1.249 11.423 8.798 1.00 33.45 N ATOM 0 H LYS A 17 0.349 8.468 3.097 1.00 74.34 H new ATOM 0 HA LYS A 17 2.172 10.716 2.552 1.00 20.05 H new ATOM 0 HB2 LYS A 17 1.583 9.448 5.245 1.00 62.20 H new ATOM 0 HB3 LYS A 17 3.050 10.352 4.922 1.00 62.20 H new ATOM 0 HG2 LYS A 17 1.595 12.328 4.271 1.00 10.43 H new ATOM 0 HG3 LYS A 17 0.204 11.411 4.813 1.00 10.43 H new ATOM 0 HD2 LYS A 17 2.615 12.035 6.566 1.00 3.10 H new ATOM 0 HD3 LYS A 17 1.152 12.999 6.538 1.00 3.10 H new ATOM 0 HE2 LYS A 17 -0.182 11.070 7.279 1.00 53.12 H new ATOM 0 HE3 LYS A 17 1.227 10.031 7.204 1.00 53.12 H new ATOM 0 HZ1 LYS A 17 0.794 10.759 9.457 1.00 33.45 H new ATOM 0 HZ2 LYS A 17 2.281 11.381 8.921 1.00 33.45 H new ATOM 0 HZ3 LYS A 17 0.916 12.388 8.994 1.00 33.45 H new ATOM 278 N LEU A 18 4.204 9.107 2.795 1.00 31.34 N ATOM 279 CA LEU A 18 5.249 8.148 2.470 1.00 31.35 C ATOM 280 C LEU A 18 6.451 8.312 3.392 1.00 52.22 C ATOM 281 O LEU A 18 7.151 9.325 3.353 1.00 65.35 O ATOM 282 CB LEU A 18 5.676 8.292 1.006 1.00 24.04 C ATOM 283 CG LEU A 18 4.642 7.818 -0.026 1.00 13.12 C ATOM 284 CD1 LEU A 18 5.178 8.009 -1.435 1.00 53.45 C ATOM 285 CD2 LEU A 18 4.291 6.356 0.209 1.00 63.23 C ATOM 0 H LEU A 18 4.536 10.059 2.951 1.00 31.34 H new ATOM 0 HA LEU A 18 4.843 7.147 2.618 1.00 31.35 H new ATOM 0 HB2 LEU A 18 5.905 9.340 0.812 1.00 24.04 H new ATOM 0 HB3 LEU A 18 6.599 7.731 0.856 1.00 24.04 H new ATOM 0 HG LEU A 18 3.738 8.416 0.089 1.00 13.12 H new ATOM 0 HD11 LEU A 18 4.435 7.669 -2.156 1.00 53.45 H new ATOM 0 HD12 LEU A 18 5.391 9.065 -1.603 1.00 53.45 H new ATOM 0 HD13 LEU A 18 6.094 7.431 -1.557 1.00 53.45 H new ATOM 0 HD21 LEU A 18 3.557 6.035 -0.530 1.00 63.23 H new ATOM 0 HD22 LEU A 18 5.190 5.747 0.117 1.00 63.23 H new ATOM 0 HD23 LEU A 18 3.874 6.238 1.209 1.00 63.23 H new ATOM 297 N HIS A 19 6.670 7.306 4.227 1.00 0.10 N ATOM 298 CA HIS A 19 7.789 7.293 5.163 1.00 52.44 C ATOM 299 C HIS A 19 9.010 6.669 4.496 1.00 13.31 C ATOM 300 O HIS A 19 8.933 6.201 3.361 1.00 13.13 O ATOM 301 CB HIS A 19 7.439 6.480 6.419 1.00 11.14 C ATOM 302 CG HIS A 19 6.252 6.981 7.187 1.00 23.32 C ATOM 303 ND1 HIS A 19 6.357 7.569 8.426 1.00 73.24 N ATOM 304 CD2 HIS A 19 4.927 6.948 6.902 1.00 4.44 C ATOM 305 CE1 HIS A 19 5.153 7.876 8.871 1.00 3.04 C ATOM 306 NE2 HIS A 19 4.266 7.510 7.965 1.00 51.34 N ATOM 0 H HIS A 19 6.079 6.476 4.276 1.00 0.10 H new ATOM 0 HA HIS A 19 8.004 8.322 5.453 1.00 52.44 H new ATOM 0 HB2 HIS A 19 7.253 5.447 6.125 1.00 11.14 H new ATOM 0 HB3 HIS A 19 8.305 6.472 7.081 1.00 11.14 H new ATOM 0 HD2 HIS A 19 4.475 6.552 6.004 1.00 4.44 H new ATOM 0 HE1 HIS A 19 4.931 8.347 9.817 1.00 3.04 H new ATOM 0 HE2 HIS A 19 3.256 7.626 8.042 1.00 51.34 H new ATOM 315 N GLY A 20 10.136 6.668 5.193 1.00 71.40 N ATOM 316 CA GLY A 20 11.314 6.000 4.681 1.00 40.44 C ATOM 317 C GLY A 20 12.546 6.876 4.708 1.00 42.23 C ATOM 318 O GLY A 20 12.472 8.057 5.046 1.00 20.30 O ATOM 0 H GLY A 20 10.255 7.116 6.101 1.00 71.40 H new ATOM 0 HA2 GLY A 20 11.500 5.101 5.269 1.00 40.44 H new ATOM 0 HA3 GLY A 20 11.126 5.677 3.657 1.00 40.44 H new ATOM 322 N THR A 21 13.676 6.297 4.323 1.00 32.20 N ATOM 323 CA THR A 21 14.960 6.986 4.340 1.00 23.44 C ATOM 324 C THR A 21 15.206 7.754 3.040 1.00 75.12 C ATOM 325 O THR A 21 16.348 8.020 2.667 1.00 23.24 O ATOM 326 CB THR A 21 16.092 5.965 4.545 1.00 3.41 C ATOM 327 OG1 THR A 21 15.911 4.865 3.641 1.00 71.52 O ATOM 328 CG2 THR A 21 16.112 5.454 5.978 1.00 74.31 C ATOM 0 H THR A 21 13.728 5.334 3.989 1.00 32.20 H new ATOM 0 HA THR A 21 14.942 7.702 5.162 1.00 23.44 H new ATOM 0 HB THR A 21 17.044 6.457 4.345 1.00 3.41 H new ATOM 0 HG1 THR A 21 16.632 4.214 3.769 1.00 71.52 H new ATOM 0 HG21 THR A 21 16.921 4.734 6.096 1.00 74.31 H new ATOM 0 HG22 THR A 21 16.268 6.290 6.660 1.00 74.31 H new ATOM 0 HG23 THR A 21 15.161 4.972 6.206 1.00 74.31 H new ATOM 336 N GLY A 22 14.131 8.115 2.356 1.00 73.02 N ATOM 337 CA GLY A 22 14.259 8.793 1.081 1.00 4.02 C ATOM 338 C GLY A 22 14.346 7.810 -0.068 1.00 61.00 C ATOM 339 O GLY A 22 13.537 7.854 -0.994 1.00 54.12 O ATOM 0 H GLY A 22 13.171 7.951 2.660 1.00 73.02 H new ATOM 0 HA2 GLY A 22 13.404 9.453 0.932 1.00 4.02 H new ATOM 0 HA3 GLY A 22 15.149 9.422 1.091 1.00 4.02 H new ATOM 343 N ALA A 23 15.315 6.906 0.011 1.00 34.22 N ATOM 344 CA ALA A 23 15.500 5.876 -1.004 1.00 23.41 C ATOM 345 C ALA A 23 14.253 5.007 -1.118 1.00 43.12 C ATOM 346 O ALA A 23 13.825 4.659 -2.219 1.00 5.05 O ATOM 347 CB ALA A 23 16.714 5.020 -0.676 1.00 21.04 C ATOM 0 H ALA A 23 15.990 6.866 0.774 1.00 34.22 H new ATOM 0 HA ALA A 23 15.669 6.365 -1.964 1.00 23.41 H new ATOM 0 HB1 ALA A 23 16.838 4.256 -1.443 1.00 21.04 H new ATOM 0 HB2 ALA A 23 17.604 5.648 -0.642 1.00 21.04 H new ATOM 0 HB3 ALA A 23 16.571 4.541 0.293 1.00 21.04 H new ATOM 353 N LEU A 24 13.668 4.668 0.029 1.00 35.11 N ATOM 354 CA LEU A 24 12.435 3.887 0.062 1.00 71.33 C ATOM 355 C LEU A 24 11.289 4.666 -0.574 1.00 34.11 C ATOM 356 O LEU A 24 10.560 4.131 -1.405 1.00 2.24 O ATOM 357 CB LEU A 24 12.072 3.491 1.498 1.00 33.22 C ATOM 358 CG LEU A 24 12.785 2.247 2.038 1.00 11.34 C ATOM 359 CD1 LEU A 24 12.508 1.047 1.147 1.00 24.11 C ATOM 360 CD2 LEU A 24 14.280 2.484 2.166 1.00 45.43 C ATOM 0 H LEU A 24 14.029 4.923 0.948 1.00 35.11 H new ATOM 0 HA LEU A 24 12.601 2.976 -0.513 1.00 71.33 H new ATOM 0 HB2 LEU A 24 12.295 4.331 2.156 1.00 33.22 H new ATOM 0 HB3 LEU A 24 10.996 3.323 1.549 1.00 33.22 H new ATOM 0 HG LEU A 24 12.393 2.039 3.034 1.00 11.34 H new ATOM 0 HD11 LEU A 24 13.022 0.172 1.545 1.00 24.11 H new ATOM 0 HD12 LEU A 24 11.435 0.856 1.118 1.00 24.11 H new ATOM 0 HD13 LEU A 24 12.868 1.252 0.139 1.00 24.11 H new ATOM 0 HD21 LEU A 24 14.759 1.584 2.551 1.00 45.43 H new ATOM 0 HD22 LEU A 24 14.695 2.726 1.188 1.00 45.43 H new ATOM 0 HD23 LEU A 24 14.460 3.313 2.851 1.00 45.43 H new ATOM 372 N LYS A 25 11.156 5.934 -0.189 1.00 72.14 N ATOM 373 CA LYS A 25 10.132 6.815 -0.746 1.00 42.44 C ATOM 374 C LYS A 25 10.215 6.824 -2.264 1.00 12.35 C ATOM 375 O LYS A 25 9.214 6.632 -2.955 1.00 33.24 O ATOM 376 CB LYS A 25 10.311 8.242 -0.221 1.00 24.13 C ATOM 377 CG LYS A 25 10.190 8.372 1.288 1.00 22.53 C ATOM 378 CD LYS A 25 10.505 9.787 1.749 1.00 65.54 C ATOM 379 CE LYS A 25 10.292 9.950 3.246 1.00 52.51 C ATOM 380 NZ LYS A 25 10.649 11.314 3.715 1.00 13.53 N ATOM 0 H LYS A 25 11.750 6.377 0.512 1.00 72.14 H new ATOM 0 HA LYS A 25 9.156 6.440 -0.439 1.00 42.44 H new ATOM 0 HB2 LYS A 25 11.290 8.610 -0.528 1.00 24.13 H new ATOM 0 HB3 LYS A 25 9.567 8.886 -0.690 1.00 24.13 H new ATOM 0 HG2 LYS A 25 9.180 8.103 1.598 1.00 22.53 H new ATOM 0 HG3 LYS A 25 10.870 7.670 1.771 1.00 22.53 H new ATOM 0 HD2 LYS A 25 11.538 10.030 1.500 1.00 65.54 H new ATOM 0 HD3 LYS A 25 9.873 10.494 1.212 1.00 65.54 H new ATOM 0 HE2 LYS A 25 9.249 9.745 3.488 1.00 52.51 H new ATOM 0 HE3 LYS A 25 10.894 9.214 3.780 1.00 52.51 H new ATOM 0 HZ1 LYS A 25 10.489 11.382 4.740 1.00 13.53 H new ATOM 0 HZ2 LYS A 25 11.651 11.501 3.508 1.00 13.53 H new ATOM 0 HZ3 LYS A 25 10.057 12.015 3.225 1.00 13.53 H new ATOM 394 N ARG A 26 11.427 7.024 -2.768 1.00 34.21 N ATOM 395 CA ARG A 26 11.676 7.053 -4.201 1.00 40.44 C ATOM 396 C ARG A 26 11.290 5.734 -4.842 1.00 15.35 C ATOM 397 O ARG A 26 10.561 5.708 -5.826 1.00 1.33 O ATOM 398 CB ARG A 26 13.150 7.320 -4.477 1.00 74.11 C ATOM 399 CG ARG A 26 13.436 7.638 -5.934 1.00 61.35 C ATOM 400 CD ARG A 26 14.875 8.075 -6.138 1.00 32.40 C ATOM 401 NE ARG A 26 15.203 9.250 -5.336 1.00 33.51 N ATOM 402 CZ ARG A 26 16.160 10.120 -5.646 1.00 53.15 C ATOM 403 NH1 ARG A 26 16.859 9.981 -6.766 1.00 12.40 N ATOM 404 NH2 ARG A 26 16.399 11.144 -4.838 1.00 2.11 N ATOM 0 H ARG A 26 12.260 7.170 -2.197 1.00 34.21 H new ATOM 0 HA ARG A 26 11.070 7.852 -4.627 1.00 40.44 H new ATOM 0 HB2 ARG A 26 13.484 8.152 -3.857 1.00 74.11 H new ATOM 0 HB3 ARG A 26 13.733 6.448 -4.181 1.00 74.11 H new ATOM 0 HG2 ARG A 26 13.232 6.759 -6.546 1.00 61.35 H new ATOM 0 HG3 ARG A 26 12.764 8.426 -6.274 1.00 61.35 H new ATOM 0 HD2 ARG A 26 15.544 7.256 -5.874 1.00 32.40 H new ATOM 0 HD3 ARG A 26 15.042 8.296 -7.192 1.00 32.40 H new ATOM 0 HE ARG A 26 14.665 9.414 -4.485 1.00 33.51 H new ATOM 0 HH11 ARG A 26 16.664 9.203 -7.396 1.00 12.40 H new ATOM 0 HH12 ARG A 26 17.591 10.652 -6.997 1.00 12.40 H new ATOM 0 HH21 ARG A 26 15.851 11.260 -3.986 1.00 2.11 H new ATOM 0 HH22 ARG A 26 17.131 11.816 -5.069 1.00 2.11 H new ATOM 418 N ARG A 27 11.796 4.647 -4.274 1.00 21.33 N ATOM 419 CA ARG A 27 11.516 3.309 -4.776 1.00 73.33 C ATOM 420 C ARG A 27 10.012 3.064 -4.858 1.00 64.21 C ATOM 421 O ARG A 27 9.508 2.588 -5.875 1.00 15.21 O ATOM 422 CB ARG A 27 12.169 2.267 -3.870 1.00 41.11 C ATOM 423 CG ARG A 27 11.790 0.842 -4.215 1.00 4.41 C ATOM 424 CD ARG A 27 12.159 -0.109 -3.094 1.00 35.13 C ATOM 425 NE ARG A 27 13.579 -0.461 -3.086 1.00 3.23 N ATOM 426 CZ ARG A 27 14.029 -1.712 -2.960 1.00 74.41 C ATOM 427 NH1 ARG A 27 13.181 -2.735 -2.963 1.00 33.55 N ATOM 428 NH2 ARG A 27 15.331 -1.945 -2.858 1.00 32.24 N ATOM 0 H ARG A 27 12.408 4.667 -3.458 1.00 21.33 H new ATOM 0 HA ARG A 27 11.931 3.223 -5.780 1.00 73.33 H new ATOM 0 HB2 ARG A 27 13.252 2.371 -3.932 1.00 41.11 H new ATOM 0 HB3 ARG A 27 11.888 2.469 -2.836 1.00 41.11 H new ATOM 0 HG2 ARG A 27 10.719 0.784 -4.407 1.00 4.41 H new ATOM 0 HG3 ARG A 27 12.295 0.540 -5.133 1.00 4.41 H new ATOM 0 HD2 ARG A 27 11.898 0.346 -2.139 1.00 35.13 H new ATOM 0 HD3 ARG A 27 11.566 -1.019 -3.187 1.00 35.13 H new ATOM 0 HE ARG A 27 14.263 0.290 -3.182 1.00 3.23 H new ATOM 0 HH11 ARG A 27 12.180 -2.567 -3.062 1.00 33.55 H new ATOM 0 HH12 ARG A 27 13.531 -3.688 -2.866 1.00 33.55 H new ATOM 0 HH21 ARG A 27 15.991 -1.168 -2.876 1.00 32.24 H new ATOM 0 HH22 ARG A 27 15.672 -2.902 -2.762 1.00 32.24 H new ATOM 442 N ILE A 28 9.312 3.398 -3.782 1.00 32.30 N ATOM 443 CA ILE A 28 7.866 3.266 -3.722 1.00 35.23 C ATOM 444 C ILE A 28 7.195 4.081 -4.834 1.00 44.34 C ATOM 445 O ILE A 28 6.365 3.557 -5.577 1.00 64.05 O ATOM 446 CB ILE A 28 7.342 3.696 -2.329 1.00 55.21 C ATOM 447 CG1 ILE A 28 7.834 2.714 -1.259 1.00 61.03 C ATOM 448 CG2 ILE A 28 5.824 3.782 -2.312 1.00 62.05 C ATOM 449 CD1 ILE A 28 7.545 3.161 0.159 1.00 71.44 C ATOM 0 H ILE A 28 9.731 3.767 -2.929 1.00 32.30 H new ATOM 0 HA ILE A 28 7.611 2.218 -3.877 1.00 35.23 H new ATOM 0 HB ILE A 28 7.733 4.689 -2.110 1.00 55.21 H new ATOM 0 HG12 ILE A 28 7.366 1.744 -1.427 1.00 61.03 H new ATOM 0 HG13 ILE A 28 8.909 2.574 -1.374 1.00 61.03 H new ATOM 0 HG21 ILE A 28 5.488 4.086 -1.321 1.00 62.05 H new ATOM 0 HG22 ILE A 28 5.493 4.515 -3.048 1.00 62.05 H new ATOM 0 HG23 ILE A 28 5.402 2.807 -2.555 1.00 62.05 H new ATOM 0 HD11 ILE A 28 7.922 2.416 0.859 1.00 71.44 H new ATOM 0 HD12 ILE A 28 8.035 4.116 0.346 1.00 71.44 H new ATOM 0 HD13 ILE A 28 6.469 3.273 0.293 1.00 71.44 H new ATOM 461 N MET A 29 7.590 5.344 -4.970 1.00 63.14 N ATOM 462 CA MET A 29 7.044 6.215 -6.015 1.00 5.24 C ATOM 463 C MET A 29 7.379 5.674 -7.404 1.00 40.53 C ATOM 464 O MET A 29 6.531 5.645 -8.297 1.00 61.33 O ATOM 465 CB MET A 29 7.598 7.636 -5.884 1.00 33.21 C ATOM 466 CG MET A 29 7.196 8.349 -4.605 1.00 4.14 C ATOM 467 SD MET A 29 7.907 10.004 -4.494 1.00 31.52 S ATOM 468 CE MET A 29 7.381 10.490 -2.852 1.00 4.13 C ATOM 0 H MET A 29 8.285 5.790 -4.372 1.00 63.14 H new ATOM 0 HA MET A 29 5.962 6.238 -5.889 1.00 5.24 H new ATOM 0 HB2 MET A 29 8.686 7.595 -5.937 1.00 33.21 H new ATOM 0 HB3 MET A 29 7.259 8.225 -6.736 1.00 33.21 H new ATOM 0 HG2 MET A 29 6.109 8.418 -4.556 1.00 4.14 H new ATOM 0 HG3 MET A 29 7.517 7.759 -3.746 1.00 4.14 H new ATOM 0 HE1 MET A 29 7.964 11.350 -2.523 1.00 4.13 H new ATOM 0 HE2 MET A 29 6.324 10.754 -2.872 1.00 4.13 H new ATOM 0 HE3 MET A 29 7.535 9.661 -2.161 1.00 4.13 H new ATOM 478 N ASP A 30 8.621 5.235 -7.560 1.00 60.11 N ATOM 479 CA ASP A 30 9.132 4.729 -8.831 1.00 52.01 C ATOM 480 C ASP A 30 8.362 3.495 -9.289 1.00 14.54 C ATOM 481 O ASP A 30 8.215 3.254 -10.486 1.00 64.13 O ATOM 482 CB ASP A 30 10.622 4.399 -8.690 1.00 14.32 C ATOM 483 CG ASP A 30 11.217 3.785 -9.941 1.00 73.41 C ATOM 484 OD1 ASP A 30 11.642 4.541 -10.839 1.00 51.31 O ATOM 485 OD2 ASP A 30 11.284 2.540 -10.023 1.00 34.41 O ATOM 0 H ASP A 30 9.307 5.219 -6.806 1.00 60.11 H new ATOM 0 HA ASP A 30 8.998 5.503 -9.587 1.00 52.01 H new ATOM 0 HB2 ASP A 30 11.168 5.310 -8.445 1.00 14.32 H new ATOM 0 HB3 ASP A 30 10.758 3.711 -7.855 1.00 14.32 H new ATOM 491 N MET A 31 7.857 2.725 -8.333 1.00 15.42 N ATOM 492 CA MET A 31 7.090 1.521 -8.642 1.00 45.30 C ATOM 493 C MET A 31 5.661 1.870 -9.058 1.00 64.25 C ATOM 494 O MET A 31 4.894 1.002 -9.473 1.00 20.23 O ATOM 495 CB MET A 31 7.071 0.569 -7.441 1.00 1.20 C ATOM 496 CG MET A 31 8.430 -0.036 -7.123 1.00 63.21 C ATOM 497 SD MET A 31 8.381 -1.179 -5.725 1.00 12.35 S ATOM 498 CE MET A 31 7.760 -0.108 -4.431 1.00 52.43 C ATOM 0 H MET A 31 7.964 2.912 -7.336 1.00 15.42 H new ATOM 0 HA MET A 31 7.578 1.022 -9.479 1.00 45.30 H new ATOM 0 HB2 MET A 31 6.709 1.108 -6.566 1.00 1.20 H new ATOM 0 HB3 MET A 31 6.361 -0.235 -7.636 1.00 1.20 H new ATOM 0 HG2 MET A 31 8.803 -0.561 -8.002 1.00 63.21 H new ATOM 0 HG3 MET A 31 9.137 0.765 -6.906 1.00 63.21 H new ATOM 0 HE1 MET A 31 8.308 -0.297 -3.508 1.00 52.43 H new ATOM 0 HE2 MET A 31 7.893 0.933 -4.725 1.00 52.43 H new ATOM 0 HE3 MET A 31 6.700 -0.308 -4.271 1.00 52.43 H new ATOM 508 N GLY A 32 5.312 3.145 -8.953 1.00 42.32 N ATOM 509 CA GLY A 32 3.993 3.586 -9.360 1.00 44.24 C ATOM 510 C GLY A 32 3.107 3.931 -8.182 1.00 5.12 C ATOM 511 O GLY A 32 1.930 4.239 -8.352 1.00 71.13 O ATOM 0 H GLY A 32 5.919 3.882 -8.593 1.00 42.32 H new ATOM 0 HA2 GLY A 32 4.089 4.459 -10.006 1.00 44.24 H new ATOM 0 HA3 GLY A 32 3.518 2.803 -9.951 1.00 44.24 H new ATOM 515 N ILE A 33 3.671 3.883 -6.985 1.00 4.00 N ATOM 516 CA ILE A 33 2.910 4.169 -5.782 1.00 25.23 C ATOM 517 C ILE A 33 3.076 5.632 -5.376 1.00 23.05 C ATOM 518 O ILE A 33 4.057 6.011 -4.735 1.00 3.43 O ATOM 519 CB ILE A 33 3.338 3.254 -4.618 1.00 62.34 C ATOM 520 CG1 ILE A 33 3.283 1.783 -5.052 1.00 11.14 C ATOM 521 CG2 ILE A 33 2.450 3.487 -3.406 1.00 14.53 C ATOM 522 CD1 ILE A 33 3.820 0.818 -4.015 1.00 11.24 C ATOM 0 H ILE A 33 4.650 3.649 -6.822 1.00 4.00 H new ATOM 0 HA ILE A 33 1.860 3.976 -6.004 1.00 25.23 H new ATOM 0 HB ILE A 33 4.364 3.496 -4.342 1.00 62.34 H new ATOM 0 HG12 ILE A 33 2.250 1.520 -5.279 1.00 11.14 H new ATOM 0 HG13 ILE A 33 3.852 1.665 -5.974 1.00 11.14 H new ATOM 0 HG21 ILE A 33 2.765 2.833 -2.593 1.00 14.53 H new ATOM 0 HG22 ILE A 33 2.533 4.527 -3.089 1.00 14.53 H new ATOM 0 HG23 ILE A 33 1.414 3.269 -3.666 1.00 14.53 H new ATOM 0 HD11 ILE A 33 3.748 -0.201 -4.395 1.00 11.24 H new ATOM 0 HD12 ILE A 33 4.863 1.054 -3.804 1.00 11.24 H new ATOM 0 HD13 ILE A 33 3.236 0.906 -3.099 1.00 11.24 H new ATOM 534 N THR A 34 2.127 6.451 -5.790 1.00 72.02 N ATOM 535 CA THR A 34 2.140 7.869 -5.476 1.00 33.43 C ATOM 536 C THR A 34 0.974 8.229 -4.562 1.00 14.34 C ATOM 537 O THR A 34 0.094 7.405 -4.312 1.00 50.13 O ATOM 538 CB THR A 34 2.067 8.701 -6.767 1.00 5.51 C ATOM 539 OG1 THR A 34 1.068 8.148 -7.635 1.00 20.25 O ATOM 540 CG2 THR A 34 3.412 8.722 -7.481 1.00 62.31 C ATOM 0 H THR A 34 1.328 6.154 -6.351 1.00 72.02 H new ATOM 0 HA THR A 34 3.072 8.095 -4.958 1.00 33.43 H new ATOM 0 HB THR A 34 1.804 9.726 -6.504 1.00 5.51 H new ATOM 0 HG1 THR A 34 1.019 8.679 -8.458 1.00 20.25 H new ATOM 0 HG21 THR A 34 3.332 9.317 -8.391 1.00 62.31 H new ATOM 0 HG22 THR A 34 4.165 9.160 -6.826 1.00 62.31 H new ATOM 0 HG23 THR A 34 3.703 7.704 -7.738 1.00 62.31 H new ATOM 548 N ARG A 35 0.959 9.459 -4.071 1.00 64.31 N ATOM 549 CA ARG A 35 -0.090 9.895 -3.163 1.00 60.45 C ATOM 550 C ARG A 35 -1.392 10.094 -3.923 1.00 23.53 C ATOM 551 O ARG A 35 -1.479 10.936 -4.821 1.00 33.30 O ATOM 552 CB ARG A 35 0.301 11.192 -2.455 1.00 63.42 C ATOM 553 CG ARG A 35 1.600 11.102 -1.677 1.00 71.32 C ATOM 554 CD ARG A 35 1.850 12.372 -0.884 1.00 71.53 C ATOM 555 NE ARG A 35 3.184 12.392 -0.284 1.00 52.50 N ATOM 556 CZ ARG A 35 3.432 12.795 0.962 1.00 3.33 C ATOM 557 NH1 ARG A 35 2.432 13.136 1.764 1.00 2.11 N ATOM 558 NH2 ARG A 35 4.680 12.833 1.415 1.00 60.33 N ATOM 0 H ARG A 35 1.658 10.170 -4.285 1.00 64.31 H new ATOM 0 HA ARG A 35 -0.228 9.120 -2.409 1.00 60.45 H new ATOM 0 HB2 ARG A 35 0.387 11.987 -3.196 1.00 63.42 H new ATOM 0 HB3 ARG A 35 -0.500 11.478 -1.773 1.00 63.42 H new ATOM 0 HG2 ARG A 35 1.564 10.248 -1.001 1.00 71.32 H new ATOM 0 HG3 ARG A 35 2.428 10.930 -2.364 1.00 71.32 H new ATOM 0 HD2 ARG A 35 1.734 13.236 -1.538 1.00 71.53 H new ATOM 0 HD3 ARG A 35 1.099 12.463 -0.100 1.00 71.53 H new ATOM 0 HE ARG A 35 3.971 12.079 -0.853 1.00 52.50 H new ATOM 0 HH11 ARG A 35 1.470 13.090 1.428 1.00 2.11 H new ATOM 0 HH12 ARG A 35 2.625 13.444 2.717 1.00 2.11 H new ATOM 0 HH21 ARG A 35 5.451 12.553 0.809 1.00 60.33 H new ATOM 0 HH22 ARG A 35 4.867 13.142 2.369 1.00 60.33 H new ATOM 572 N GLY A 36 -2.396 9.311 -3.566 1.00 72.01 N ATOM 573 CA GLY A 36 -3.682 9.417 -4.217 1.00 42.44 C ATOM 574 C GLY A 36 -4.038 8.187 -5.025 1.00 2.00 C ATOM 575 O GLY A 36 -5.197 8.005 -5.394 1.00 71.42 O ATOM 0 H GLY A 36 -2.343 8.602 -2.835 1.00 72.01 H new ATOM 0 HA2 GLY A 36 -4.452 9.586 -3.464 1.00 42.44 H new ATOM 0 HA3 GLY A 36 -3.681 10.288 -4.872 1.00 42.44 H new ATOM 579 N CYS A 37 -3.056 7.338 -5.306 1.00 30.13 N ATOM 580 CA CYS A 37 -3.310 6.139 -6.095 1.00 42.12 C ATOM 581 C CYS A 37 -4.117 5.125 -5.290 1.00 4.20 C ATOM 582 O CYS A 37 -3.970 5.024 -4.069 1.00 72.01 O ATOM 583 CB CYS A 37 -2.000 5.503 -6.578 1.00 45.01 C ATOM 584 SG CYS A 37 -0.933 4.883 -5.259 1.00 45.51 S ATOM 0 H CYS A 37 -2.089 7.455 -5.004 1.00 30.13 H new ATOM 0 HA CYS A 37 -3.889 6.437 -6.969 1.00 42.12 H new ATOM 0 HB2 CYS A 37 -2.238 4.680 -7.252 1.00 45.01 H new ATOM 0 HB3 CYS A 37 -1.446 6.240 -7.159 1.00 45.01 H new ATOM 0 HG CYS A 37 -0.114 5.821 -4.886 1.00 45.51 H new ATOM 590 N GLU A 38 -4.985 4.402 -5.979 1.00 53.51 N ATOM 591 CA GLU A 38 -5.792 3.365 -5.358 1.00 65.35 C ATOM 592 C GLU A 38 -5.098 2.014 -5.485 1.00 53.33 C ATOM 593 O GLU A 38 -4.952 1.479 -6.585 1.00 24.31 O ATOM 594 CB GLU A 38 -7.170 3.327 -6.017 1.00 12.51 C ATOM 595 CG GLU A 38 -7.940 4.627 -5.867 1.00 63.31 C ATOM 596 CD GLU A 38 -9.076 4.750 -6.855 1.00 65.41 C ATOM 597 OE1 GLU A 38 -8.919 5.489 -7.852 1.00 35.44 O ATOM 598 OE2 GLU A 38 -10.132 4.125 -6.641 1.00 35.21 O ATOM 0 H GLU A 38 -5.149 4.517 -6.979 1.00 53.51 H new ATOM 0 HA GLU A 38 -5.914 3.588 -4.298 1.00 65.35 H new ATOM 0 HB2 GLU A 38 -7.053 3.102 -7.077 1.00 12.51 H new ATOM 0 HB3 GLU A 38 -7.752 2.515 -5.581 1.00 12.51 H new ATOM 0 HG2 GLU A 38 -8.336 4.695 -4.854 1.00 63.31 H new ATOM 0 HG3 GLU A 38 -7.257 5.466 -5.999 1.00 63.31 H new ATOM 606 N ILE A 39 -4.679 1.468 -4.357 1.00 21.25 N ATOM 607 CA ILE A 39 -3.921 0.232 -4.336 1.00 53.21 C ATOM 608 C ILE A 39 -4.794 -0.930 -3.889 1.00 3.52 C ATOM 609 O ILE A 39 -5.303 -0.951 -2.766 1.00 2.14 O ATOM 610 CB ILE A 39 -2.702 0.331 -3.394 1.00 12.12 C ATOM 611 CG1 ILE A 39 -1.759 1.445 -3.853 1.00 22.15 C ATOM 612 CG2 ILE A 39 -1.967 -1.001 -3.333 1.00 40.12 C ATOM 613 CD1 ILE A 39 -0.541 1.609 -2.968 1.00 5.20 C ATOM 0 H ILE A 39 -4.854 1.867 -3.435 1.00 21.25 H new ATOM 0 HA ILE A 39 -3.570 0.058 -5.353 1.00 53.21 H new ATOM 0 HB ILE A 39 -3.058 0.574 -2.393 1.00 12.12 H new ATOM 0 HG12 ILE A 39 -1.432 1.237 -4.872 1.00 22.15 H new ATOM 0 HG13 ILE A 39 -2.308 2.386 -3.880 1.00 22.15 H new ATOM 0 HG21 ILE A 39 -1.110 -0.914 -2.665 1.00 40.12 H new ATOM 0 HG22 ILE A 39 -2.641 -1.772 -2.960 1.00 40.12 H new ATOM 0 HG23 ILE A 39 -1.622 -1.272 -4.331 1.00 40.12 H new ATOM 0 HD11 ILE A 39 0.083 2.416 -3.353 1.00 5.20 H new ATOM 0 HD12 ILE A 39 -0.858 1.848 -1.953 1.00 5.20 H new ATOM 0 HD13 ILE A 39 0.031 0.681 -2.960 1.00 5.20 H new ATOM 625 N TYR A 40 -4.984 -1.872 -4.789 1.00 72.12 N ATOM 626 CA TYR A 40 -5.642 -3.126 -4.464 1.00 32.33 C ATOM 627 C TYR A 40 -4.634 -4.089 -3.850 1.00 74.34 C ATOM 628 O TYR A 40 -3.687 -4.518 -4.512 1.00 55.32 O ATOM 629 CB TYR A 40 -6.268 -3.739 -5.720 1.00 52.03 C ATOM 630 CG TYR A 40 -6.860 -5.114 -5.506 1.00 23.23 C ATOM 631 CD1 TYR A 40 -8.132 -5.270 -4.971 1.00 65.24 C ATOM 632 CD2 TYR A 40 -6.146 -6.257 -5.841 1.00 11.30 C ATOM 633 CE1 TYR A 40 -8.675 -6.527 -4.777 1.00 43.33 C ATOM 634 CE2 TYR A 40 -6.678 -7.514 -5.651 1.00 20.42 C ATOM 635 CZ TYR A 40 -7.942 -7.644 -5.119 1.00 5.25 C ATOM 636 OH TYR A 40 -8.477 -8.899 -4.929 1.00 71.50 O ATOM 0 H TYR A 40 -4.689 -1.794 -5.762 1.00 72.12 H new ATOM 0 HA TYR A 40 -6.437 -2.935 -3.743 1.00 32.33 H new ATOM 0 HB2 TYR A 40 -7.048 -3.072 -6.087 1.00 52.03 H new ATOM 0 HB3 TYR A 40 -5.508 -3.799 -6.499 1.00 52.03 H new ATOM 0 HD1 TYR A 40 -8.706 -4.396 -4.702 1.00 65.24 H new ATOM 0 HD2 TYR A 40 -5.155 -6.159 -6.258 1.00 11.30 H new ATOM 0 HE1 TYR A 40 -9.666 -6.633 -4.361 1.00 43.33 H new ATOM 0 HE2 TYR A 40 -6.108 -8.392 -5.917 1.00 20.42 H new ATOM 0 HH TYR A 40 -7.833 -9.577 -5.222 1.00 71.50 H new ATOM 646 N ILE A 41 -4.822 -4.408 -2.583 1.00 42.21 N ATOM 647 CA ILE A 41 -3.945 -5.347 -1.905 1.00 64.52 C ATOM 648 C ILE A 41 -4.309 -6.773 -2.296 1.00 24.02 C ATOM 649 O ILE A 41 -5.430 -7.221 -2.069 1.00 21.40 O ATOM 650 CB ILE A 41 -4.026 -5.193 -0.374 1.00 73.40 C ATOM 651 CG1 ILE A 41 -3.772 -3.737 0.025 1.00 62.54 C ATOM 652 CG2 ILE A 41 -3.018 -6.115 0.301 1.00 62.41 C ATOM 653 CD1 ILE A 41 -3.888 -3.486 1.512 1.00 24.23 C ATOM 0 H ILE A 41 -5.572 -4.032 -2.003 1.00 42.21 H new ATOM 0 HA ILE A 41 -2.922 -5.130 -2.214 1.00 64.52 H new ATOM 0 HB ILE A 41 -5.027 -5.473 -0.044 1.00 73.40 H new ATOM 0 HG12 ILE A 41 -2.775 -3.447 -0.307 1.00 62.54 H new ATOM 0 HG13 ILE A 41 -4.481 -3.097 -0.499 1.00 62.54 H new ATOM 0 HG21 ILE A 41 -3.085 -5.997 1.383 1.00 62.41 H new ATOM 0 HG22 ILE A 41 -3.236 -7.149 0.034 1.00 62.41 H new ATOM 0 HG23 ILE A 41 -2.012 -5.859 -0.031 1.00 62.41 H new ATOM 0 HD11 ILE A 41 -3.695 -2.433 1.719 1.00 24.23 H new ATOM 0 HD12 ILE A 41 -4.893 -3.744 1.847 1.00 24.23 H new ATOM 0 HD13 ILE A 41 -3.160 -4.100 2.042 1.00 24.23 H new ATOM 665 N ARG A 42 -3.361 -7.482 -2.886 1.00 1.13 N ATOM 666 CA ARG A 42 -3.613 -8.828 -3.378 1.00 40.54 C ATOM 667 C ARG A 42 -3.595 -9.832 -2.232 1.00 20.11 C ATOM 668 O ARG A 42 -4.585 -10.513 -1.974 1.00 12.23 O ATOM 669 CB ARG A 42 -2.555 -9.226 -4.416 1.00 53.42 C ATOM 670 CG ARG A 42 -2.789 -10.603 -5.020 1.00 31.10 C ATOM 671 CD ARG A 42 -3.883 -10.573 -6.074 1.00 1.22 C ATOM 672 NE ARG A 42 -3.401 -10.025 -7.338 1.00 74.23 N ATOM 673 CZ ARG A 42 -4.191 -9.525 -8.288 1.00 31.51 C ATOM 674 NH1 ARG A 42 -5.509 -9.499 -8.124 1.00 71.33 N ATOM 675 NH2 ARG A 42 -3.659 -9.067 -9.414 1.00 70.35 N ATOM 0 H ARG A 42 -2.409 -7.148 -3.036 1.00 1.13 H new ATOM 0 HA ARG A 42 -4.598 -8.836 -3.844 1.00 40.54 H new ATOM 0 HB2 ARG A 42 -2.543 -8.484 -5.215 1.00 53.42 H new ATOM 0 HB3 ARG A 42 -1.571 -9.205 -3.947 1.00 53.42 H new ATOM 0 HG2 ARG A 42 -1.863 -10.967 -5.466 1.00 31.10 H new ATOM 0 HG3 ARG A 42 -3.061 -11.305 -4.232 1.00 31.10 H new ATOM 0 HD2 ARG A 42 -4.260 -11.583 -6.236 1.00 1.22 H new ATOM 0 HD3 ARG A 42 -4.719 -9.974 -5.713 1.00 1.22 H new ATOM 0 HE ARG A 42 -2.395 -10.025 -7.505 1.00 74.23 H new ATOM 0 HH11 ARG A 42 -5.923 -9.863 -7.266 1.00 71.33 H new ATOM 0 HH12 ARG A 42 -6.107 -9.115 -8.856 1.00 71.33 H new ATOM 0 HH21 ARG A 42 -2.649 -9.098 -9.550 1.00 70.35 H new ATOM 0 HH22 ARG A 42 -4.260 -8.684 -10.143 1.00 70.35 H new ATOM 689 N LYS A 43 -2.470 -9.899 -1.530 1.00 10.21 N ATOM 690 CA LYS A 43 -2.276 -10.901 -0.490 1.00 20.32 C ATOM 691 C LYS A 43 -1.474 -10.331 0.672 1.00 13.10 C ATOM 692 O LYS A 43 -0.459 -9.665 0.469 1.00 44.41 O ATOM 693 CB LYS A 43 -1.536 -12.127 -1.049 1.00 33.23 C ATOM 694 CG LYS A 43 -2.251 -12.832 -2.194 1.00 62.30 C ATOM 695 CD LYS A 43 -3.544 -13.483 -1.735 1.00 21.24 C ATOM 696 CE LYS A 43 -4.309 -14.085 -2.904 1.00 34.45 C ATOM 697 NZ LYS A 43 -5.546 -14.779 -2.463 1.00 63.11 N ATOM 0 H LYS A 43 -1.678 -9.270 -1.663 1.00 10.21 H new ATOM 0 HA LYS A 43 -3.263 -11.199 -0.136 1.00 20.32 H new ATOM 0 HB2 LYS A 43 -0.550 -11.814 -1.392 1.00 33.23 H new ATOM 0 HB3 LYS A 43 -1.381 -12.841 -0.240 1.00 33.23 H new ATOM 0 HG2 LYS A 43 -2.466 -12.114 -2.985 1.00 62.30 H new ATOM 0 HG3 LYS A 43 -1.594 -13.590 -2.621 1.00 62.30 H new ATOM 0 HD2 LYS A 43 -3.322 -14.261 -1.005 1.00 21.24 H new ATOM 0 HD3 LYS A 43 -4.167 -12.743 -1.233 1.00 21.24 H new ATOM 0 HE2 LYS A 43 -4.568 -13.297 -3.611 1.00 34.45 H new ATOM 0 HE3 LYS A 43 -3.667 -14.790 -3.433 1.00 34.45 H new ATOM 0 HZ1 LYS A 43 -6.036 -15.174 -3.291 1.00 63.11 H new ATOM 0 HZ2 LYS A 43 -5.298 -15.548 -1.808 1.00 63.11 H new ATOM 0 HZ3 LYS A 43 -6.171 -14.102 -1.981 1.00 63.11 H new ATOM 711 N VAL A 44 -1.939 -10.590 1.883 1.00 62.52 N ATOM 712 CA VAL A 44 -1.192 -10.247 3.085 1.00 14.32 C ATOM 713 C VAL A 44 -0.929 -11.515 3.885 1.00 3.32 C ATOM 714 O VAL A 44 -1.863 -12.249 4.215 1.00 31.41 O ATOM 715 CB VAL A 44 -1.944 -9.228 3.977 1.00 74.23 C ATOM 716 CG1 VAL A 44 -1.128 -8.886 5.216 1.00 31.23 C ATOM 717 CG2 VAL A 44 -2.273 -7.967 3.198 1.00 65.41 C ATOM 0 H VAL A 44 -2.837 -11.040 2.062 1.00 62.52 H new ATOM 0 HA VAL A 44 -0.257 -9.782 2.773 1.00 14.32 H new ATOM 0 HB VAL A 44 -2.878 -9.689 4.296 1.00 74.23 H new ATOM 0 HG11 VAL A 44 -1.677 -8.169 5.827 1.00 31.23 H new ATOM 0 HG12 VAL A 44 -0.948 -9.792 5.794 1.00 31.23 H new ATOM 0 HG13 VAL A 44 -0.175 -8.452 4.915 1.00 31.23 H new ATOM 0 HG21 VAL A 44 -2.801 -7.267 3.845 1.00 65.41 H new ATOM 0 HG22 VAL A 44 -1.351 -7.508 2.842 1.00 65.41 H new ATOM 0 HG23 VAL A 44 -2.904 -8.220 2.346 1.00 65.41 H new ATOM 727 N ALA A 45 0.334 -11.780 4.179 1.00 4.33 N ATOM 728 CA ALA A 45 0.705 -12.981 4.909 1.00 1.10 C ATOM 729 C ALA A 45 0.281 -12.881 6.372 1.00 24.44 C ATOM 730 O ALA A 45 0.304 -11.799 6.958 1.00 41.10 O ATOM 731 CB ALA A 45 2.201 -13.218 4.795 1.00 52.33 C ATOM 0 H ALA A 45 1.118 -11.180 3.924 1.00 4.33 H new ATOM 0 HA ALA A 45 0.183 -13.831 4.469 1.00 1.10 H new ATOM 0 HB1 ALA A 45 2.469 -14.120 5.345 1.00 52.33 H new ATOM 0 HB2 ALA A 45 2.471 -13.339 3.746 1.00 52.33 H new ATOM 0 HB3 ALA A 45 2.737 -12.366 5.212 1.00 52.33 H new ATOM 737 N PRO A 46 -0.120 -14.011 6.979 1.00 63.50 N ATOM 738 CA PRO A 46 -0.522 -14.056 8.392 1.00 33.34 C ATOM 739 C PRO A 46 0.625 -13.662 9.324 1.00 74.51 C ATOM 740 O PRO A 46 0.404 -13.207 10.447 1.00 15.22 O ATOM 741 CB PRO A 46 -0.926 -15.521 8.611 1.00 20.03 C ATOM 742 CG PRO A 46 -0.283 -16.278 7.500 1.00 21.44 C ATOM 743 CD PRO A 46 -0.226 -15.333 6.336 1.00 22.22 C ATOM 0 HA PRO A 46 -1.325 -13.353 8.613 1.00 33.34 H new ATOM 0 HB2 PRO A 46 -0.585 -15.882 9.581 1.00 20.03 H new ATOM 0 HB3 PRO A 46 -2.010 -15.637 8.590 1.00 20.03 H new ATOM 0 HG2 PRO A 46 0.716 -16.611 7.782 1.00 21.44 H new ATOM 0 HG3 PRO A 46 -0.858 -17.170 7.251 1.00 21.44 H new ATOM 0 HD2 PRO A 46 0.630 -15.538 5.693 1.00 22.22 H new ATOM 0 HD3 PRO A 46 -1.117 -15.407 5.713 1.00 22.22 H new ATOM 751 N LEU A 47 1.850 -13.820 8.832 1.00 41.45 N ATOM 752 CA LEU A 47 3.046 -13.456 9.587 1.00 50.10 C ATOM 753 C LEU A 47 3.475 -12.027 9.257 1.00 31.12 C ATOM 754 O LEU A 47 4.561 -11.581 9.640 1.00 0.23 O ATOM 755 CB LEU A 47 4.195 -14.430 9.289 1.00 70.55 C ATOM 756 CG LEU A 47 4.614 -14.541 7.817 1.00 53.25 C ATOM 757 CD1 LEU A 47 6.059 -14.996 7.711 1.00 42.41 C ATOM 758 CD2 LEU A 47 3.713 -15.516 7.072 1.00 71.52 C ATOM 0 H LEU A 47 2.042 -14.201 7.906 1.00 41.45 H new ATOM 0 HA LEU A 47 2.805 -13.515 10.648 1.00 50.10 H new ATOM 0 HB2 LEU A 47 5.064 -14.126 9.872 1.00 70.55 H new ATOM 0 HB3 LEU A 47 3.906 -15.421 9.640 1.00 70.55 H new ATOM 0 HG LEU A 47 4.516 -13.555 7.362 1.00 53.25 H new ATOM 0 HD11 LEU A 47 6.341 -15.070 6.661 1.00 42.41 H new ATOM 0 HD12 LEU A 47 6.705 -14.274 8.210 1.00 42.41 H new ATOM 0 HD13 LEU A 47 6.169 -15.971 8.186 1.00 42.41 H new ATOM 0 HD21 LEU A 47 4.028 -15.579 6.030 1.00 71.52 H new ATOM 0 HD22 LEU A 47 3.783 -16.501 7.533 1.00 71.52 H new ATOM 0 HD23 LEU A 47 2.682 -15.167 7.119 1.00 71.52 H new ATOM 770 N GLY A 48 2.618 -11.318 8.542 1.00 64.30 N ATOM 771 CA GLY A 48 2.898 -9.947 8.185 1.00 33.14 C ATOM 772 C GLY A 48 3.325 -9.824 6.742 1.00 71.42 C ATOM 773 O GLY A 48 2.522 -9.480 5.876 1.00 14.03 O ATOM 0 H GLY A 48 1.725 -11.673 8.200 1.00 64.30 H new ATOM 0 HA2 GLY A 48 2.010 -9.338 8.356 1.00 33.14 H new ATOM 0 HA3 GLY A 48 3.683 -9.555 8.832 1.00 33.14 H new ATOM 777 N ASP A 49 4.582 -10.132 6.480 1.00 34.42 N ATOM 778 CA ASP A 49 5.123 -10.035 5.133 1.00 20.33 C ATOM 779 C ASP A 49 5.310 -11.427 4.542 1.00 74.03 C ATOM 780 O ASP A 49 5.363 -12.414 5.277 1.00 3.51 O ATOM 781 CB ASP A 49 6.456 -9.273 5.135 1.00 32.44 C ATOM 782 CG ASP A 49 7.609 -10.073 5.707 1.00 20.01 C ATOM 783 OD1 ASP A 49 7.796 -10.057 6.942 1.00 35.11 O ATOM 784 OD2 ASP A 49 8.357 -10.686 4.919 1.00 10.03 O ATOM 0 H ASP A 49 5.250 -10.452 7.182 1.00 34.42 H new ATOM 0 HA ASP A 49 4.415 -9.482 4.516 1.00 20.33 H new ATOM 0 HB2 ASP A 49 6.699 -8.980 4.114 1.00 32.44 H new ATOM 0 HB3 ASP A 49 6.340 -8.355 5.711 1.00 32.44 H new ATOM 790 N PRO A 50 5.404 -11.530 3.208 1.00 5.24 N ATOM 791 CA PRO A 50 5.353 -10.375 2.310 1.00 21.12 C ATOM 792 C PRO A 50 3.928 -9.898 2.024 1.00 24.42 C ATOM 793 O PRO A 50 2.970 -10.672 2.093 1.00 52.04 O ATOM 794 CB PRO A 50 6.002 -10.912 1.038 1.00 24.23 C ATOM 795 CG PRO A 50 5.658 -12.361 1.024 1.00 11.11 C ATOM 796 CD PRO A 50 5.572 -12.794 2.466 1.00 41.02 C ATOM 0 HA PRO A 50 5.848 -9.504 2.738 1.00 21.12 H new ATOM 0 HB2 PRO A 50 5.618 -10.405 0.153 1.00 24.23 H new ATOM 0 HB3 PRO A 50 7.081 -10.761 1.049 1.00 24.23 H new ATOM 0 HG2 PRO A 50 4.711 -12.530 0.511 1.00 11.11 H new ATOM 0 HG3 PRO A 50 6.416 -12.935 0.491 1.00 11.11 H new ATOM 0 HD2 PRO A 50 4.732 -13.468 2.631 1.00 41.02 H new ATOM 0 HD3 PRO A 50 6.472 -13.324 2.778 1.00 41.02 H new ATOM 804 N ILE A 51 3.800 -8.619 1.713 1.00 73.32 N ATOM 805 CA ILE A 51 2.517 -8.052 1.340 1.00 23.25 C ATOM 806 C ILE A 51 2.509 -7.733 -0.148 1.00 54.20 C ATOM 807 O ILE A 51 3.281 -6.899 -0.626 1.00 33.24 O ATOM 808 CB ILE A 51 2.195 -6.779 2.155 1.00 70.52 C ATOM 809 CG1 ILE A 51 2.124 -7.118 3.647 1.00 14.31 C ATOM 810 CG2 ILE A 51 0.888 -6.152 1.683 1.00 40.30 C ATOM 811 CD1 ILE A 51 1.785 -5.939 4.533 1.00 53.21 C ATOM 0 H ILE A 51 4.572 -7.953 1.712 1.00 73.32 H new ATOM 0 HA ILE A 51 1.747 -8.790 1.562 1.00 23.25 H new ATOM 0 HB ILE A 51 2.992 -6.052 1.998 1.00 70.52 H new ATOM 0 HG12 ILE A 51 1.377 -7.898 3.796 1.00 14.31 H new ATOM 0 HG13 ILE A 51 3.083 -7.531 3.961 1.00 14.31 H new ATOM 0 HG21 ILE A 51 0.681 -5.257 2.270 1.00 40.30 H new ATOM 0 HG22 ILE A 51 0.973 -5.883 0.630 1.00 40.30 H new ATOM 0 HG23 ILE A 51 0.075 -6.866 1.811 1.00 40.30 H new ATOM 0 HD11 ILE A 51 1.754 -6.263 5.573 1.00 53.21 H new ATOM 0 HD12 ILE A 51 2.544 -5.166 4.416 1.00 53.21 H new ATOM 0 HD13 ILE A 51 0.812 -5.538 4.249 1.00 53.21 H new ATOM 823 N GLN A 52 1.646 -8.418 -0.875 1.00 52.13 N ATOM 824 CA GLN A 52 1.569 -8.271 -2.319 1.00 30.00 C ATOM 825 C GLN A 52 0.436 -7.332 -2.693 1.00 74.51 C ATOM 826 O GLN A 52 -0.720 -7.574 -2.345 1.00 22.02 O ATOM 827 CB GLN A 52 1.361 -9.641 -2.967 1.00 64.13 C ATOM 828 CG GLN A 52 2.549 -10.571 -2.800 1.00 5.24 C ATOM 829 CD GLN A 52 2.207 -12.016 -3.087 1.00 4.53 C ATOM 830 OE1 GLN A 52 2.290 -12.473 -4.226 1.00 24.01 O ATOM 831 NE2 GLN A 52 1.829 -12.746 -2.050 1.00 61.01 N ATOM 0 H GLN A 52 0.982 -9.088 -0.486 1.00 52.13 H new ATOM 0 HA GLN A 52 2.504 -7.845 -2.684 1.00 30.00 H new ATOM 0 HB2 GLN A 52 0.478 -10.110 -2.533 1.00 64.13 H new ATOM 0 HB3 GLN A 52 1.161 -9.506 -4.030 1.00 64.13 H new ATOM 0 HG2 GLN A 52 3.350 -10.253 -3.467 1.00 5.24 H new ATOM 0 HG3 GLN A 52 2.930 -10.488 -1.782 1.00 5.24 H new ATOM 0 HE21 GLN A 52 1.774 -12.325 -1.123 1.00 61.01 H new ATOM 0 HE22 GLN A 52 1.592 -13.730 -2.178 1.00 61.01 H new ATOM 840 N ILE A 53 0.769 -6.260 -3.390 1.00 3.00 N ATOM 841 CA ILE A 53 -0.217 -5.280 -3.815 1.00 64.44 C ATOM 842 C ILE A 53 -0.211 -5.150 -5.330 1.00 72.03 C ATOM 843 O ILE A 53 0.814 -5.367 -5.970 1.00 61.40 O ATOM 844 CB ILE A 53 0.054 -3.898 -3.188 1.00 15.10 C ATOM 845 CG1 ILE A 53 1.480 -3.437 -3.511 1.00 75.24 C ATOM 846 CG2 ILE A 53 -0.175 -3.946 -1.683 1.00 33.32 C ATOM 847 CD1 ILE A 53 1.806 -2.051 -2.997 1.00 4.05 C ATOM 0 H ILE A 53 1.724 -6.044 -3.676 1.00 3.00 H new ATOM 0 HA ILE A 53 -1.192 -5.630 -3.477 1.00 64.44 H new ATOM 0 HB ILE A 53 -0.642 -3.176 -3.615 1.00 15.10 H new ATOM 0 HG12 ILE A 53 2.187 -4.148 -3.084 1.00 75.24 H new ATOM 0 HG13 ILE A 53 1.622 -3.456 -4.592 1.00 75.24 H new ATOM 0 HG21 ILE A 53 0.020 -2.963 -1.254 1.00 33.32 H new ATOM 0 HG22 ILE A 53 -1.207 -4.232 -1.481 1.00 33.32 H new ATOM 0 HG23 ILE A 53 0.498 -4.677 -1.236 1.00 33.32 H new ATOM 0 HD11 ILE A 53 2.831 -1.796 -3.264 1.00 4.05 H new ATOM 0 HD12 ILE A 53 1.124 -1.328 -3.444 1.00 4.05 H new ATOM 0 HD13 ILE A 53 1.698 -2.030 -1.913 1.00 4.05 H new ATOM 859 N ASN A 54 -1.353 -4.808 -5.898 1.00 71.01 N ATOM 860 CA ASN A 54 -1.465 -4.645 -7.341 1.00 72.13 C ATOM 861 C ASN A 54 -1.645 -3.174 -7.694 1.00 70.25 C ATOM 862 O ASN A 54 -2.689 -2.581 -7.417 1.00 1.21 O ATOM 863 CB ASN A 54 -2.639 -5.472 -7.876 1.00 62.43 C ATOM 864 CG ASN A 54 -2.793 -5.383 -9.383 1.00 72.51 C ATOM 865 OD1 ASN A 54 -2.178 -6.145 -10.130 1.00 3.54 O ATOM 866 ND2 ASN A 54 -3.627 -4.461 -9.841 1.00 62.11 N ATOM 0 H ASN A 54 -2.218 -4.637 -5.385 1.00 71.01 H new ATOM 0 HA ASN A 54 -0.547 -5.002 -7.807 1.00 72.13 H new ATOM 0 HB2 ASN A 54 -2.500 -6.515 -7.592 1.00 62.43 H new ATOM 0 HB3 ASN A 54 -3.560 -5.133 -7.402 1.00 62.43 H new ATOM 0 HD21 ASN A 54 -3.778 -4.364 -10.845 1.00 62.11 H new ATOM 0 HD22 ASN A 54 -4.118 -3.849 -9.190 1.00 62.11 H new ATOM 873 N VAL A 55 -0.622 -2.589 -8.301 1.00 2.02 N ATOM 874 CA VAL A 55 -0.658 -1.188 -8.697 1.00 34.42 C ATOM 875 C VAL A 55 -0.678 -1.082 -10.217 1.00 3.42 C ATOM 876 O VAL A 55 0.158 -1.684 -10.893 1.00 34.43 O ATOM 877 CB VAL A 55 0.549 -0.400 -8.136 1.00 74.13 C ATOM 878 CG1 VAL A 55 0.475 1.065 -8.543 1.00 15.34 C ATOM 879 CG2 VAL A 55 0.617 -0.525 -6.620 1.00 23.15 C ATOM 0 H VAL A 55 0.249 -3.067 -8.531 1.00 2.02 H new ATOM 0 HA VAL A 55 -1.565 -0.749 -8.281 1.00 34.42 H new ATOM 0 HB VAL A 55 1.457 -0.829 -8.559 1.00 74.13 H new ATOM 0 HG11 VAL A 55 1.334 1.599 -8.137 1.00 15.34 H new ATOM 0 HG12 VAL A 55 0.481 1.141 -9.630 1.00 15.34 H new ATOM 0 HG13 VAL A 55 -0.443 1.505 -8.153 1.00 15.34 H new ATOM 0 HG21 VAL A 55 1.473 0.037 -6.247 1.00 23.15 H new ATOM 0 HG22 VAL A 55 -0.298 -0.127 -6.181 1.00 23.15 H new ATOM 0 HG23 VAL A 55 0.724 -1.575 -6.346 1.00 23.15 H new ATOM 889 N ARG A 56 -1.645 -0.323 -10.736 1.00 53.42 N ATOM 890 CA ARG A 56 -1.867 -0.179 -12.177 1.00 4.03 C ATOM 891 C ARG A 56 -2.318 -1.512 -12.771 1.00 61.33 C ATOM 892 O ARG A 56 -3.511 -1.755 -12.957 1.00 14.25 O ATOM 893 CB ARG A 56 -0.608 0.313 -12.908 1.00 1.32 C ATOM 894 CG ARG A 56 0.007 1.579 -12.330 1.00 54.12 C ATOM 895 CD ARG A 56 -0.987 2.724 -12.278 1.00 54.43 C ATOM 896 NE ARG A 56 -0.330 3.996 -11.989 1.00 44.13 N ATOM 897 CZ ARG A 56 -0.723 4.847 -11.042 1.00 43.23 C ATOM 898 NH1 ARG A 56 -1.728 4.533 -10.232 1.00 44.13 N ATOM 899 NH2 ARG A 56 -0.095 6.006 -10.898 1.00 13.01 N ATOM 0 H ARG A 56 -2.300 0.212 -10.166 1.00 53.42 H new ATOM 0 HA ARG A 56 -2.646 0.571 -12.314 1.00 4.03 H new ATOM 0 HB2 ARG A 56 0.140 -0.480 -12.889 1.00 1.32 H new ATOM 0 HB3 ARG A 56 -0.858 0.491 -13.954 1.00 1.32 H new ATOM 0 HG2 ARG A 56 0.378 1.375 -11.325 1.00 54.12 H new ATOM 0 HG3 ARG A 56 0.866 1.872 -12.933 1.00 54.12 H new ATOM 0 HD2 ARG A 56 -1.512 2.794 -13.231 1.00 54.43 H new ATOM 0 HD3 ARG A 56 -1.738 2.520 -11.514 1.00 54.43 H new ATOM 0 HE ARG A 56 0.484 4.250 -12.549 1.00 44.13 H new ATOM 0 HH11 ARG A 56 -2.203 3.636 -10.333 1.00 44.13 H new ATOM 0 HH12 ARG A 56 -2.024 5.189 -9.509 1.00 44.13 H new ATOM 0 HH21 ARG A 56 0.685 6.243 -11.511 1.00 13.01 H new ATOM 0 HH22 ARG A 56 -0.392 6.661 -10.175 1.00 13.01 H new ATOM 913 N GLY A 57 -1.348 -2.367 -13.049 1.00 63.41 N ATOM 914 CA GLY A 57 -1.620 -3.704 -13.530 1.00 32.24 C ATOM 915 C GLY A 57 -0.458 -4.623 -13.232 1.00 43.44 C ATOM 916 O GLY A 57 -0.325 -5.697 -13.820 1.00 23.11 O ATOM 0 H GLY A 57 -0.356 -2.152 -12.947 1.00 63.41 H new ATOM 0 HA2 GLY A 57 -2.525 -4.089 -13.059 1.00 32.24 H new ATOM 0 HA3 GLY A 57 -1.805 -3.679 -14.604 1.00 32.24 H new ATOM 920 N TYR A 58 0.382 -4.188 -12.303 1.00 12.55 N ATOM 921 CA TYR A 58 1.596 -4.904 -11.951 1.00 73.21 C ATOM 922 C TYR A 58 1.601 -5.182 -10.454 1.00 3.24 C ATOM 923 O TYR A 58 1.316 -4.290 -9.650 1.00 62.13 O ATOM 924 CB TYR A 58 2.814 -4.062 -12.343 1.00 63.14 C ATOM 925 CG TYR A 58 4.135 -4.800 -12.312 1.00 35.10 C ATOM 926 CD1 TYR A 58 4.539 -5.580 -13.388 1.00 45.31 C ATOM 927 CD2 TYR A 58 4.986 -4.698 -11.219 1.00 35.25 C ATOM 928 CE1 TYR A 58 5.753 -6.239 -13.376 1.00 31.10 C ATOM 929 CE2 TYR A 58 6.201 -5.358 -11.196 1.00 54.50 C ATOM 930 CZ TYR A 58 6.580 -6.125 -12.278 1.00 22.44 C ATOM 931 OH TYR A 58 7.799 -6.775 -12.266 1.00 25.24 O ATOM 0 H TYR A 58 0.239 -3.328 -11.773 1.00 12.55 H new ATOM 0 HA TYR A 58 1.637 -5.853 -12.486 1.00 73.21 H new ATOM 0 HB2 TYR A 58 2.658 -3.669 -13.347 1.00 63.14 H new ATOM 0 HB3 TYR A 58 2.877 -3.206 -11.672 1.00 63.14 H new ATOM 0 HD1 TYR A 58 3.893 -5.673 -14.249 1.00 45.31 H new ATOM 0 HD2 TYR A 58 4.694 -4.093 -10.373 1.00 35.25 H new ATOM 0 HE1 TYR A 58 6.053 -6.840 -14.222 1.00 31.10 H new ATOM 0 HE2 TYR A 58 6.849 -5.273 -10.336 1.00 54.50 H new ATOM 0 HH TYR A 58 8.260 -6.591 -11.421 1.00 25.24 H new ATOM 941 N GLU A 59 1.907 -6.413 -10.081 1.00 12.43 N ATOM 942 CA GLU A 59 1.900 -6.795 -8.680 1.00 10.15 C ATOM 943 C GLU A 59 3.265 -6.602 -8.047 1.00 54.43 C ATOM 944 O GLU A 59 4.286 -7.034 -8.584 1.00 70.21 O ATOM 945 CB GLU A 59 1.427 -8.235 -8.514 1.00 53.14 C ATOM 946 CG GLU A 59 -0.064 -8.388 -8.728 1.00 62.31 C ATOM 947 CD GLU A 59 -0.529 -9.822 -8.645 1.00 45.23 C ATOM 948 OE1 GLU A 59 -0.964 -10.364 -9.681 1.00 4.42 O ATOM 949 OE2 GLU A 59 -0.499 -10.404 -7.542 1.00 15.15 O ATOM 0 H GLU A 59 2.162 -7.161 -10.725 1.00 12.43 H new ATOM 0 HA GLU A 59 1.198 -6.141 -8.162 1.00 10.15 H new ATOM 0 HB2 GLU A 59 1.959 -8.872 -9.221 1.00 53.14 H new ATOM 0 HB3 GLU A 59 1.684 -8.585 -7.514 1.00 53.14 H new ATOM 0 HG2 GLU A 59 -0.595 -7.796 -7.982 1.00 62.31 H new ATOM 0 HG3 GLU A 59 -0.329 -7.982 -9.704 1.00 62.31 H new ATOM 957 N LEU A 60 3.264 -5.941 -6.906 1.00 15.31 N ATOM 958 CA LEU A 60 4.479 -5.635 -6.181 1.00 43.11 C ATOM 959 C LEU A 60 4.481 -6.341 -4.833 1.00 1.01 C ATOM 960 O LEU A 60 3.538 -6.207 -4.049 1.00 63.44 O ATOM 961 CB LEU A 60 4.595 -4.122 -5.976 1.00 35.54 C ATOM 962 CG LEU A 60 4.648 -3.292 -7.262 1.00 74.32 C ATOM 963 CD1 LEU A 60 4.459 -1.812 -6.960 1.00 3.42 C ATOM 964 CD2 LEU A 60 5.966 -3.520 -7.989 1.00 52.12 C ATOM 0 H LEU A 60 2.415 -5.600 -6.455 1.00 15.31 H new ATOM 0 HA LEU A 60 5.332 -5.985 -6.762 1.00 43.11 H new ATOM 0 HB2 LEU A 60 3.746 -3.786 -5.380 1.00 35.54 H new ATOM 0 HB3 LEU A 60 5.494 -3.918 -5.394 1.00 35.54 H new ATOM 0 HG LEU A 60 3.832 -3.616 -7.909 1.00 74.32 H new ATOM 0 HD11 LEU A 60 4.501 -1.243 -7.889 1.00 3.42 H new ATOM 0 HD12 LEU A 60 3.491 -1.659 -6.483 1.00 3.42 H new ATOM 0 HD13 LEU A 60 5.250 -1.473 -6.291 1.00 3.42 H new ATOM 0 HD21 LEU A 60 5.987 -2.923 -8.901 1.00 52.12 H new ATOM 0 HD22 LEU A 60 6.793 -3.226 -7.343 1.00 52.12 H new ATOM 0 HD23 LEU A 60 6.063 -4.575 -8.244 1.00 52.12 H new ATOM 976 N SER A 61 5.529 -7.095 -4.573 1.00 72.14 N ATOM 977 CA SER A 61 5.684 -7.777 -3.303 1.00 3.11 C ATOM 978 C SER A 61 6.581 -6.954 -2.387 1.00 72.14 C ATOM 979 O SER A 61 7.792 -6.854 -2.608 1.00 14.30 O ATOM 980 CB SER A 61 6.275 -9.173 -3.528 1.00 55.33 C ATOM 981 OG SER A 61 6.418 -9.882 -2.307 1.00 53.23 O ATOM 0 H SER A 61 6.293 -7.252 -5.230 1.00 72.14 H new ATOM 0 HA SER A 61 4.709 -7.889 -2.829 1.00 3.11 H new ATOM 0 HB2 SER A 61 5.632 -9.737 -4.204 1.00 55.33 H new ATOM 0 HB3 SER A 61 7.247 -9.084 -4.014 1.00 55.33 H new ATOM 0 HG SER A 61 6.796 -10.768 -2.486 1.00 53.23 H new ATOM 987 N LEU A 62 5.980 -6.335 -1.383 1.00 14.12 N ATOM 988 CA LEU A 62 6.723 -5.505 -0.451 1.00 44.44 C ATOM 989 C LEU A 62 6.806 -6.168 0.914 1.00 40.53 C ATOM 990 O LEU A 62 5.861 -6.818 1.362 1.00 4.01 O ATOM 991 CB LEU A 62 6.086 -4.114 -0.330 1.00 45.11 C ATOM 992 CG LEU A 62 6.197 -3.239 -1.582 1.00 53.45 C ATOM 993 CD1 LEU A 62 5.557 -1.880 -1.348 1.00 55.30 C ATOM 994 CD2 LEU A 62 7.655 -3.070 -1.976 1.00 41.42 C ATOM 0 H LEU A 62 4.979 -6.392 -1.194 1.00 14.12 H new ATOM 0 HA LEU A 62 7.734 -5.387 -0.840 1.00 44.44 H new ATOM 0 HB2 LEU A 62 5.031 -4.234 -0.082 1.00 45.11 H new ATOM 0 HB3 LEU A 62 6.552 -3.589 0.504 1.00 45.11 H new ATOM 0 HG LEU A 62 5.665 -3.734 -2.395 1.00 53.45 H new ATOM 0 HD11 LEU A 62 5.647 -1.275 -2.250 1.00 55.30 H new ATOM 0 HD12 LEU A 62 4.503 -2.011 -1.103 1.00 55.30 H new ATOM 0 HD13 LEU A 62 6.061 -1.378 -0.522 1.00 55.30 H new ATOM 0 HD21 LEU A 62 7.721 -2.446 -2.867 1.00 41.42 H new ATOM 0 HD22 LEU A 62 8.200 -2.596 -1.160 1.00 41.42 H new ATOM 0 HD23 LEU A 62 8.091 -4.047 -2.184 1.00 41.42 H new ATOM 1006 N ARG A 63 7.949 -6.022 1.560 1.00 50.14 N ATOM 1007 CA ARG A 63 8.135 -6.561 2.895 1.00 35.11 C ATOM 1008 C ARG A 63 7.467 -5.658 3.927 1.00 13.23 C ATOM 1009 O ARG A 63 7.031 -4.550 3.602 1.00 21.22 O ATOM 1010 CB ARG A 63 9.626 -6.731 3.203 1.00 72.23 C ATOM 1011 CG ARG A 63 10.305 -7.793 2.350 1.00 65.33 C ATOM 1012 CD ARG A 63 9.720 -9.177 2.601 1.00 4.55 C ATOM 1013 NE ARG A 63 10.324 -10.197 1.744 1.00 33.23 N ATOM 1014 CZ ARG A 63 10.067 -11.504 1.839 1.00 75.10 C ATOM 1015 NH1 ARG A 63 9.265 -11.970 2.794 1.00 53.51 N ATOM 1016 NH2 ARG A 63 10.638 -12.348 0.986 1.00 23.44 N ATOM 0 H ARG A 63 8.762 -5.535 1.182 1.00 50.14 H new ATOM 0 HA ARG A 63 7.666 -7.544 2.943 1.00 35.11 H new ATOM 0 HB2 ARG A 63 10.131 -5.777 3.052 1.00 72.23 H new ATOM 0 HB3 ARG A 63 9.744 -6.991 4.255 1.00 72.23 H new ATOM 0 HG2 ARG A 63 10.196 -7.538 1.296 1.00 65.33 H new ATOM 0 HG3 ARG A 63 11.373 -7.805 2.566 1.00 65.33 H new ATOM 0 HD2 ARG A 63 9.869 -9.448 3.646 1.00 4.55 H new ATOM 0 HD3 ARG A 63 8.644 -9.151 2.429 1.00 4.55 H new ATOM 0 HE ARG A 63 10.983 -9.891 1.029 1.00 33.23 H new ATOM 0 HH11 ARG A 63 8.840 -11.327 3.462 1.00 53.51 H new ATOM 0 HH12 ARG A 63 9.075 -12.970 2.858 1.00 53.51 H new ATOM 0 HH21 ARG A 63 11.268 -11.996 0.265 1.00 23.44 H new ATOM 0 HH22 ARG A 63 10.447 -13.348 1.052 1.00 23.44 H new ATOM 1030 N LYS A 64 7.416 -6.129 5.165 1.00 72.14 N ATOM 1031 CA LYS A 64 6.689 -5.449 6.231 1.00 60.41 C ATOM 1032 C LYS A 64 7.199 -4.018 6.412 1.00 43.11 C ATOM 1033 O LYS A 64 6.416 -3.101 6.656 1.00 43.14 O ATOM 1034 CB LYS A 64 6.829 -6.262 7.528 1.00 5.03 C ATOM 1035 CG LYS A 64 5.905 -5.837 8.662 1.00 55.53 C ATOM 1036 CD LYS A 64 6.481 -4.692 9.482 1.00 21.05 C ATOM 1037 CE LYS A 64 7.851 -5.041 10.048 1.00 5.13 C ATOM 1038 NZ LYS A 64 8.355 -3.995 10.973 1.00 43.34 N ATOM 0 H LYS A 64 7.876 -6.991 5.460 1.00 72.14 H new ATOM 0 HA LYS A 64 5.634 -5.381 5.967 1.00 60.41 H new ATOM 0 HB2 LYS A 64 6.642 -7.312 7.302 1.00 5.03 H new ATOM 0 HB3 LYS A 64 7.860 -6.189 7.874 1.00 5.03 H new ATOM 0 HG2 LYS A 64 4.942 -5.536 8.249 1.00 55.53 H new ATOM 0 HG3 LYS A 64 5.719 -6.690 9.315 1.00 55.53 H new ATOM 0 HD2 LYS A 64 6.560 -3.801 8.859 1.00 21.05 H new ATOM 0 HD3 LYS A 64 5.800 -4.450 10.298 1.00 21.05 H new ATOM 0 HE2 LYS A 64 7.793 -5.993 10.575 1.00 5.13 H new ATOM 0 HE3 LYS A 64 8.559 -5.172 9.229 1.00 5.13 H new ATOM 0 HZ1 LYS A 64 9.392 -3.950 10.914 1.00 43.34 H new ATOM 0 HZ2 LYS A 64 7.953 -3.074 10.707 1.00 43.34 H new ATOM 0 HZ3 LYS A 64 8.074 -4.228 11.947 1.00 43.34 H new ATOM 1052 N SER A 65 8.506 -3.840 6.258 1.00 13.51 N ATOM 1053 CA SER A 65 9.143 -2.541 6.448 1.00 32.33 C ATOM 1054 C SER A 65 8.588 -1.474 5.499 1.00 13.11 C ATOM 1055 O SER A 65 8.295 -0.361 5.921 1.00 35.35 O ATOM 1056 CB SER A 65 10.653 -2.678 6.259 1.00 35.51 C ATOM 1057 OG SER A 65 11.167 -3.709 7.087 1.00 51.12 O ATOM 0 H SER A 65 9.151 -4.587 6.000 1.00 13.51 H new ATOM 0 HA SER A 65 8.923 -2.211 7.463 1.00 32.33 H new ATOM 0 HB2 SER A 65 10.876 -2.897 5.215 1.00 35.51 H new ATOM 0 HB3 SER A 65 11.142 -1.734 6.498 1.00 35.51 H new ATOM 0 HG SER A 65 12.135 -3.785 6.952 1.00 51.12 H new ATOM 1063 N ALA A 66 8.433 -1.814 4.224 1.00 71.50 N ATOM 1064 CA ALA A 66 7.953 -0.843 3.245 1.00 64.20 C ATOM 1065 C ALA A 66 6.458 -0.610 3.409 1.00 65.54 C ATOM 1066 O ALA A 66 5.958 0.488 3.175 1.00 64.01 O ATOM 1067 CB ALA A 66 8.266 -1.302 1.830 1.00 11.04 C ATOM 0 H ALA A 66 8.629 -2.741 3.847 1.00 71.50 H new ATOM 0 HA ALA A 66 8.471 0.099 3.422 1.00 64.20 H new ATOM 0 HB1 ALA A 66 7.899 -0.563 1.118 1.00 11.04 H new ATOM 0 HB2 ALA A 66 9.344 -1.414 1.714 1.00 11.04 H new ATOM 0 HB3 ALA A 66 7.780 -2.259 1.642 1.00 11.04 H new ATOM 1073 N ALA A 67 5.752 -1.648 3.835 1.00 72.43 N ATOM 1074 CA ALA A 67 4.311 -1.562 4.021 1.00 70.52 C ATOM 1075 C ALA A 67 3.957 -0.614 5.165 1.00 75.35 C ATOM 1076 O ALA A 67 2.922 0.052 5.133 1.00 12.12 O ATOM 1077 CB ALA A 67 3.728 -2.943 4.270 1.00 60.05 C ATOM 0 H ALA A 67 6.154 -2.559 4.058 1.00 72.43 H new ATOM 0 HA ALA A 67 3.875 -1.158 3.107 1.00 70.52 H new ATOM 0 HB1 ALA A 67 2.650 -2.863 4.407 1.00 60.05 H new ATOM 0 HB2 ALA A 67 3.938 -3.586 3.416 1.00 60.05 H new ATOM 0 HB3 ALA A 67 4.177 -3.371 5.166 1.00 60.05 H new ATOM 1083 N GLU A 68 4.818 -0.549 6.176 1.00 54.10 N ATOM 1084 CA GLU A 68 4.609 0.362 7.301 1.00 64.21 C ATOM 1085 C GLU A 68 5.211 1.732 7.010 1.00 54.02 C ATOM 1086 O GLU A 68 5.206 2.618 7.863 1.00 43.11 O ATOM 1087 CB GLU A 68 5.206 -0.207 8.591 1.00 71.41 C ATOM 1088 CG GLU A 68 6.659 -0.613 8.462 1.00 72.24 C ATOM 1089 CD GLU A 68 7.338 -0.800 9.798 1.00 73.23 C ATOM 1090 OE1 GLU A 68 8.220 0.012 10.140 1.00 4.11 O ATOM 1091 OE2 GLU A 68 6.991 -1.756 10.519 1.00 21.54 O ATOM 0 H GLU A 68 5.665 -1.114 6.241 1.00 54.10 H new ATOM 0 HA GLU A 68 3.533 0.473 7.437 1.00 64.21 H new ATOM 0 HB2 GLU A 68 5.115 0.537 9.382 1.00 71.41 H new ATOM 0 HB3 GLU A 68 4.622 -1.074 8.900 1.00 71.41 H new ATOM 0 HG2 GLU A 68 6.722 -1.542 7.895 1.00 72.24 H new ATOM 0 HG3 GLU A 68 7.194 0.146 7.891 1.00 72.24 H new ATOM 1099 N MET A 69 5.746 1.895 5.811 1.00 33.05 N ATOM 1100 CA MET A 69 6.248 3.191 5.382 1.00 74.54 C ATOM 1101 C MET A 69 5.211 3.894 4.520 1.00 33.25 C ATOM 1102 O MET A 69 5.163 5.120 4.463 1.00 63.21 O ATOM 1103 CB MET A 69 7.564 3.052 4.616 1.00 72.52 C ATOM 1104 CG MET A 69 8.730 2.622 5.489 1.00 12.32 C ATOM 1105 SD MET A 69 10.281 2.500 4.577 1.00 15.02 S ATOM 1106 CE MET A 69 11.377 1.929 5.872 1.00 24.10 C ATOM 0 H MET A 69 5.844 1.151 5.120 1.00 33.05 H new ATOM 0 HA MET A 69 6.440 3.790 6.272 1.00 74.54 H new ATOM 0 HB2 MET A 69 7.433 2.325 3.814 1.00 72.52 H new ATOM 0 HB3 MET A 69 7.804 4.006 4.146 1.00 72.52 H new ATOM 0 HG2 MET A 69 8.849 3.335 6.305 1.00 12.32 H new ATOM 0 HG3 MET A 69 8.503 1.656 5.940 1.00 12.32 H new ATOM 0 HE1 MET A 69 12.382 1.803 5.469 1.00 24.10 H new ATOM 0 HE2 MET A 69 11.399 2.661 6.679 1.00 24.10 H new ATOM 0 HE3 MET A 69 11.018 0.975 6.258 1.00 24.10 H new ATOM 1116 N ILE A 70 4.372 3.115 3.861 1.00 24.20 N ATOM 1117 CA ILE A 70 3.324 3.675 3.029 1.00 65.41 C ATOM 1118 C ILE A 70 2.086 3.979 3.866 1.00 71.03 C ATOM 1119 O ILE A 70 1.298 3.087 4.164 1.00 34.01 O ATOM 1120 CB ILE A 70 2.941 2.725 1.871 1.00 62.11 C ATOM 1121 CG1 ILE A 70 4.188 2.336 1.072 1.00 74.54 C ATOM 1122 CG2 ILE A 70 1.914 3.384 0.961 1.00 50.31 C ATOM 1123 CD1 ILE A 70 3.918 1.336 -0.032 1.00 74.51 C ATOM 0 H ILE A 70 4.396 2.096 3.886 1.00 24.20 H new ATOM 0 HA ILE A 70 3.712 4.598 2.599 1.00 65.41 H new ATOM 0 HB ILE A 70 2.500 1.822 2.293 1.00 62.11 H new ATOM 0 HG12 ILE A 70 4.624 3.235 0.637 1.00 74.54 H new ATOM 0 HG13 ILE A 70 4.930 1.920 1.754 1.00 74.54 H new ATOM 0 HG21 ILE A 70 1.655 2.702 0.151 1.00 50.31 H new ATOM 0 HG22 ILE A 70 1.019 3.622 1.535 1.00 50.31 H new ATOM 0 HG23 ILE A 70 2.332 4.300 0.544 1.00 50.31 H new ATOM 0 HD11 ILE A 70 4.848 1.109 -0.553 1.00 74.51 H new ATOM 0 HD12 ILE A 70 3.511 0.421 0.398 1.00 74.51 H new ATOM 0 HD13 ILE A 70 3.201 1.757 -0.737 1.00 74.51 H new ATOM 1135 N GLU A 71 1.943 5.240 4.258 1.00 35.41 N ATOM 1136 CA GLU A 71 0.790 5.686 5.030 1.00 4.11 C ATOM 1137 C GLU A 71 -0.413 5.764 4.103 1.00 54.44 C ATOM 1138 O GLU A 71 -0.369 6.464 3.085 1.00 21.50 O ATOM 1139 CB GLU A 71 1.069 7.063 5.636 1.00 12.20 C ATOM 1140 CG GLU A 71 0.107 7.479 6.738 1.00 2.10 C ATOM 1141 CD GLU A 71 0.582 7.052 8.112 1.00 53.34 C ATOM 1142 OE1 GLU A 71 1.712 7.428 8.487 1.00 34.30 O ATOM 1143 OE2 GLU A 71 -0.174 6.366 8.833 1.00 72.40 O ATOM 0 H GLU A 71 2.618 5.977 4.051 1.00 35.41 H new ATOM 0 HA GLU A 71 0.591 4.983 5.839 1.00 4.11 H new ATOM 0 HB2 GLU A 71 2.083 7.070 6.036 1.00 12.20 H new ATOM 0 HB3 GLU A 71 1.034 7.808 4.841 1.00 12.20 H new ATOM 0 HG2 GLU A 71 -0.016 8.562 6.719 1.00 2.10 H new ATOM 0 HG3 GLU A 71 -0.873 7.044 6.544 1.00 2.10 H new ATOM 1151 N VAL A 72 -1.481 5.058 4.439 1.00 73.02 N ATOM 1152 CA VAL A 72 -2.618 4.953 3.537 1.00 71.30 C ATOM 1153 C VAL A 72 -3.932 5.285 4.227 1.00 71.50 C ATOM 1154 O VAL A 72 -3.970 5.677 5.395 1.00 3.12 O ATOM 1155 CB VAL A 72 -2.731 3.543 2.910 1.00 4.41 C ATOM 1156 CG1 VAL A 72 -1.481 3.200 2.115 1.00 62.02 C ATOM 1157 CG2 VAL A 72 -2.997 2.491 3.978 1.00 62.54 C ATOM 0 H VAL A 72 -1.585 4.554 5.320 1.00 73.02 H new ATOM 0 HA VAL A 72 -2.435 5.684 2.750 1.00 71.30 H new ATOM 0 HB VAL A 72 -3.578 3.549 2.224 1.00 4.41 H new ATOM 0 HG11 VAL A 72 -1.585 2.204 1.685 1.00 62.02 H new ATOM 0 HG12 VAL A 72 -1.347 3.929 1.315 1.00 62.02 H new ATOM 0 HG13 VAL A 72 -0.613 3.221 2.774 1.00 62.02 H new ATOM 0 HG21 VAL A 72 -3.072 1.509 3.511 1.00 62.54 H new ATOM 0 HG22 VAL A 72 -2.179 2.489 4.698 1.00 62.54 H new ATOM 0 HG23 VAL A 72 -3.931 2.721 4.491 1.00 62.54 H new ATOM 1167 N GLU A 73 -5.001 5.142 3.469 1.00 45.20 N ATOM 1168 CA GLU A 73 -6.347 5.311 3.970 1.00 73.41 C ATOM 1169 C GLU A 73 -7.264 4.316 3.278 1.00 52.41 C ATOM 1170 O GLU A 73 -7.234 4.181 2.055 1.00 24.13 O ATOM 1171 CB GLU A 73 -6.830 6.743 3.735 1.00 64.43 C ATOM 1172 CG GLU A 73 -8.269 6.979 4.165 1.00 10.10 C ATOM 1173 CD GLU A 73 -8.658 8.440 4.137 1.00 11.04 C ATOM 1174 OE1 GLU A 73 -8.399 9.147 5.135 1.00 54.22 O ATOM 1175 OE2 GLU A 73 -9.229 8.891 3.120 1.00 75.44 O ATOM 0 H GLU A 73 -4.957 4.903 2.478 1.00 45.20 H new ATOM 0 HA GLU A 73 -6.360 5.126 5.044 1.00 73.41 H new ATOM 0 HB2 GLU A 73 -6.180 7.430 4.277 1.00 64.43 H new ATOM 0 HB3 GLU A 73 -6.733 6.981 2.676 1.00 64.43 H new ATOM 0 HG2 GLU A 73 -8.936 6.418 3.510 1.00 10.10 H new ATOM 0 HG3 GLU A 73 -8.410 6.590 5.173 1.00 10.10 H new ATOM 1183 N LEU A 74 -8.052 3.607 4.063 1.00 2.05 N ATOM 1184 CA LEU A 74 -8.943 2.590 3.534 1.00 44.12 C ATOM 1185 C LEU A 74 -10.373 3.105 3.503 1.00 13.32 C ATOM 1186 O LEU A 74 -10.846 3.698 4.473 1.00 23.54 O ATOM 1187 CB LEU A 74 -8.844 1.315 4.379 1.00 34.13 C ATOM 1188 CG LEU A 74 -9.769 0.165 3.967 1.00 54.34 C ATOM 1189 CD1 LEU A 74 -9.615 -0.159 2.491 1.00 34.30 C ATOM 1190 CD2 LEU A 74 -9.478 -1.069 4.801 1.00 62.11 C ATOM 0 H LEU A 74 -8.094 3.717 5.076 1.00 2.05 H new ATOM 0 HA LEU A 74 -8.644 2.353 2.513 1.00 44.12 H new ATOM 0 HB2 LEU A 74 -7.815 0.958 4.344 1.00 34.13 H new ATOM 0 HB3 LEU A 74 -9.057 1.573 5.417 1.00 34.13 H new ATOM 0 HG LEU A 74 -10.797 0.481 4.143 1.00 54.34 H new ATOM 0 HD11 LEU A 74 -10.283 -0.979 2.227 1.00 34.30 H new ATOM 0 HD12 LEU A 74 -9.866 0.720 1.897 1.00 34.30 H new ATOM 0 HD13 LEU A 74 -8.585 -0.451 2.288 1.00 34.30 H new ATOM 0 HD21 LEU A 74 -10.142 -1.878 4.498 1.00 62.11 H new ATOM 0 HD22 LEU A 74 -8.442 -1.374 4.650 1.00 62.11 H new ATOM 0 HD23 LEU A 74 -9.640 -0.842 5.855 1.00 62.11 H new ATOM 1202 N GLU A 75 -11.044 2.889 2.379 1.00 30.14 N ATOM 1203 CA GLU A 75 -12.428 3.302 2.220 1.00 74.21 C ATOM 1204 C GLU A 75 -13.328 2.526 3.179 1.00 43.42 C ATOM 1205 O GLU A 75 -13.123 1.334 3.421 1.00 42.51 O ATOM 1206 CB GLU A 75 -12.880 3.095 0.769 1.00 14.50 C ATOM 1207 CG GLU A 75 -14.300 3.568 0.494 1.00 62.25 C ATOM 1208 CD GLU A 75 -14.482 5.051 0.743 1.00 14.23 C ATOM 1209 OE1 GLU A 75 -14.530 5.823 -0.243 1.00 42.54 O ATOM 1210 OE2 GLU A 75 -14.577 5.454 1.921 1.00 34.51 O ATOM 0 H GLU A 75 -10.647 2.427 1.561 1.00 30.14 H new ATOM 0 HA GLU A 75 -12.506 4.363 2.459 1.00 74.21 H new ATOM 0 HB2 GLU A 75 -12.196 3.625 0.106 1.00 14.50 H new ATOM 0 HB3 GLU A 75 -12.806 2.036 0.523 1.00 14.50 H new ATOM 0 HG2 GLU A 75 -14.559 3.343 -0.541 1.00 62.25 H new ATOM 0 HG3 GLU A 75 -14.993 3.010 1.125 1.00 62.25 H new ATOM 1218 N HIS A 76 -14.316 3.210 3.728 1.00 25.44 N ATOM 1219 CA HIS A 76 -15.236 2.600 4.669 1.00 24.01 C ATOM 1220 C HIS A 76 -16.664 2.746 4.180 1.00 15.11 C ATOM 1221 O HIS A 76 -17.057 3.806 3.692 1.00 72.04 O ATOM 1222 CB HIS A 76 -15.096 3.228 6.058 1.00 54.42 C ATOM 1223 CG HIS A 76 -13.852 2.820 6.784 1.00 62.21 C ATOM 1224 ND1 HIS A 76 -12.708 3.587 6.816 1.00 74.14 N ATOM 1225 CD2 HIS A 76 -13.585 1.719 7.520 1.00 14.14 C ATOM 1226 CE1 HIS A 76 -11.791 2.974 7.542 1.00 52.43 C ATOM 1227 NE2 HIS A 76 -12.298 1.837 7.981 1.00 74.44 N ATOM 0 H HIS A 76 -14.502 4.194 3.536 1.00 25.44 H new ATOM 0 HA HIS A 76 -14.989 1.541 4.742 1.00 24.01 H new ATOM 0 HB2 HIS A 76 -15.108 4.313 5.958 1.00 54.42 H new ATOM 0 HB3 HIS A 76 -15.963 2.954 6.659 1.00 54.42 H new ATOM 0 HD2 HIS A 76 -14.260 0.898 7.710 1.00 14.14 H new ATOM 0 HE1 HIS A 76 -10.795 3.341 7.743 1.00 52.43 H new ATOM 0 HE2 HIS A 76 -11.813 1.158 8.567 1.00 74.44 H new ATOM 1236 N HIS A 77 -17.438 1.676 4.309 1.00 3.53 N ATOM 1237 CA HIS A 77 -18.841 1.704 3.922 1.00 42.33 C ATOM 1238 C HIS A 77 -19.615 2.587 4.891 1.00 54.22 C ATOM 1239 O HIS A 77 -20.622 3.196 4.536 1.00 71.40 O ATOM 1240 CB HIS A 77 -19.428 0.289 3.908 1.00 61.41 C ATOM 1241 CG HIS A 77 -20.780 0.202 3.268 1.00 63.31 C ATOM 1242 ND1 HIS A 77 -21.959 0.402 3.953 1.00 44.12 N ATOM 1243 CD2 HIS A 77 -21.134 -0.069 1.990 1.00 11.05 C ATOM 1244 CE1 HIS A 77 -22.974 0.253 3.127 1.00 40.45 C ATOM 1245 NE2 HIS A 77 -22.502 -0.030 1.931 1.00 75.04 N ATOM 0 H HIS A 77 -17.118 0.780 4.678 1.00 3.53 H new ATOM 0 HA HIS A 77 -18.922 2.113 2.915 1.00 42.33 H new ATOM 0 HB2 HIS A 77 -18.743 -0.373 3.379 1.00 61.41 H new ATOM 0 HB3 HIS A 77 -19.497 -0.076 4.933 1.00 61.41 H new ATOM 0 HD2 HIS A 77 -20.463 -0.277 1.170 1.00 11.05 H new ATOM 0 HE1 HIS A 77 -24.018 0.347 3.387 1.00 40.45 H new ATOM 0 HE2 HIS A 77 -23.064 -0.194 1.096 1.00 75.04 H new ATOM 1254 N HIS A 78 -19.123 2.648 6.118 1.00 52.22 N ATOM 1255 CA HIS A 78 -19.703 3.501 7.138 1.00 53.53 C ATOM 1256 C HIS A 78 -18.591 4.127 7.968 1.00 21.55 C ATOM 1257 O HIS A 78 -18.054 3.496 8.877 1.00 50.53 O ATOM 1258 CB HIS A 78 -20.649 2.694 8.032 1.00 24.12 C ATOM 1259 CG HIS A 78 -21.395 3.526 9.026 1.00 60.35 C ATOM 1260 ND1 HIS A 78 -22.609 4.117 8.752 1.00 74.44 N ATOM 1261 CD2 HIS A 78 -21.095 3.863 10.302 1.00 3.12 C ATOM 1262 CE1 HIS A 78 -23.020 4.785 9.813 1.00 72.34 C ATOM 1263 NE2 HIS A 78 -22.122 4.645 10.765 1.00 15.03 N ATOM 0 H HIS A 78 -18.315 2.110 6.432 1.00 52.22 H new ATOM 0 HA HIS A 78 -20.279 4.292 6.659 1.00 53.53 H new ATOM 0 HB2 HIS A 78 -21.366 2.166 7.403 1.00 24.12 H new ATOM 0 HB3 HIS A 78 -20.073 1.937 8.565 1.00 24.12 H new ATOM 0 HD2 HIS A 78 -20.213 3.571 10.852 1.00 3.12 H new ATOM 0 HE1 HIS A 78 -23.937 5.350 9.888 1.00 72.34 H new ATOM 0 HE2 HIS A 78 -22.181 5.053 11.698 1.00 15.03 H new ATOM 1272 N HIS A 79 -18.227 5.355 7.636 1.00 64.53 N ATOM 1273 CA HIS A 79 -17.179 6.060 8.351 1.00 61.34 C ATOM 1274 C HIS A 79 -17.777 7.206 9.158 1.00 53.21 C ATOM 1275 O HIS A 79 -17.681 8.369 8.772 1.00 5.23 O ATOM 1276 CB HIS A 79 -16.119 6.589 7.379 1.00 14.23 C ATOM 1277 CG HIS A 79 -14.905 7.146 8.062 1.00 1.14 C ATOM 1278 ND1 HIS A 79 -14.765 8.475 8.397 1.00 11.15 N ATOM 1279 CD2 HIS A 79 -13.778 6.534 8.490 1.00 35.44 C ATOM 1280 CE1 HIS A 79 -13.603 8.654 8.995 1.00 75.43 C ATOM 1281 NE2 HIS A 79 -12.985 7.492 9.069 1.00 42.34 N ATOM 0 H HIS A 79 -18.645 5.885 6.872 1.00 64.53 H new ATOM 0 HA HIS A 79 -16.696 5.361 9.034 1.00 61.34 H new ATOM 0 HB2 HIS A 79 -15.813 5.782 6.713 1.00 14.23 H new ATOM 0 HB3 HIS A 79 -16.564 7.365 6.756 1.00 14.23 H new ATOM 0 HD2 HIS A 79 -13.545 5.484 8.394 1.00 35.44 H new ATOM 0 HE1 HIS A 79 -13.222 9.595 9.363 1.00 75.43 H new ATOM 0 HE2 HIS A 79 -12.069 7.332 9.488 1.00 42.34 H new ATOM 1290 N HIS A 80 -18.421 6.859 10.258 1.00 52.21 N ATOM 1291 CA HIS A 80 -19.044 7.843 11.129 1.00 33.43 C ATOM 1292 C HIS A 80 -19.490 7.166 12.417 1.00 74.23 C ATOM 1293 O HIS A 80 -20.124 6.116 12.378 1.00 75.21 O ATOM 1294 CB HIS A 80 -20.242 8.495 10.427 1.00 40.34 C ATOM 1295 CG HIS A 80 -20.862 9.622 11.196 1.00 75.14 C ATOM 1296 ND1 HIS A 80 -22.185 9.632 11.575 1.00 5.12 N ATOM 1297 CD2 HIS A 80 -20.337 10.786 11.643 1.00 2.15 C ATOM 1298 CE1 HIS A 80 -22.446 10.752 12.220 1.00 42.24 C ATOM 1299 NE2 HIS A 80 -21.343 11.468 12.276 1.00 30.11 N ATOM 0 H HIS A 80 -18.527 5.894 10.572 1.00 52.21 H new ATOM 0 HA HIS A 80 -18.320 8.623 11.365 1.00 33.43 H new ATOM 0 HB2 HIS A 80 -19.921 8.867 9.454 1.00 40.34 H new ATOM 0 HB3 HIS A 80 -21.000 7.734 10.243 1.00 40.34 H new ATOM 0 HD2 HIS A 80 -19.316 11.116 11.523 1.00 2.15 H new ATOM 0 HE1 HIS A 80 -23.403 11.034 12.633 1.00 42.24 H new ATOM 0 HE2 HIS A 80 -21.252 12.382 12.719 1.00 30.11 H new ATOM 1308 N HIS A 81 -19.127 7.749 13.545 1.00 61.14 N ATOM 1309 CA HIS A 81 -19.510 7.211 14.841 1.00 52.41 C ATOM 1310 C HIS A 81 -20.890 7.717 15.225 1.00 50.33 C ATOM 1311 O HIS A 81 -21.865 6.952 15.086 1.00 38.56 O ATOM 1312 CB HIS A 81 -18.487 7.595 15.915 1.00 63.00 C ATOM 1313 CG HIS A 81 -17.142 6.954 15.738 1.00 42.34 C ATOM 1314 ND1 HIS A 81 -16.397 6.464 16.788 1.00 2.23 N ATOM 1315 CD2 HIS A 81 -16.403 6.730 14.625 1.00 61.30 C ATOM 1316 CE1 HIS A 81 -15.261 5.973 16.331 1.00 44.31 C ATOM 1317 NE2 HIS A 81 -15.242 6.120 15.021 1.00 10.31 N ATOM 1318 OXT HIS A 81 -20.998 8.890 15.631 1.00 38.56 O ATOM 0 H HIS A 81 -18.565 8.599 13.591 1.00 61.14 H new ATOM 0 HA HIS A 81 -19.536 6.124 14.769 1.00 52.41 H new ATOM 0 HB2 HIS A 81 -18.364 8.678 15.914 1.00 63.00 H new ATOM 0 HB3 HIS A 81 -18.883 7.320 16.893 1.00 63.00 H new ATOM 0 HD2 HIS A 81 -16.678 6.985 13.612 1.00 61.30 H new ATOM 0 HE1 HIS A 81 -14.480 5.527 16.928 1.00 44.31 H new ATOM 0 HE2 HIS A 81 -14.486 5.827 14.403 1.00 10.31 H new TER 1327 HIS A 81