USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 165:sc= -2.31! (180deg=-2.62!) USER MOD Single : A 1 MET N :NH3+ -108:sc= -2.87! (180deg=-6.32!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 165:sc= -0.0501 USER MOD Single : A 7 TYR OH : rot -26:sc= -0.116 USER MOD Single : A 9 SER OG : rot 180:sc= -0.241 USER MOD Single : A 10 ASN : amide:sc= -0.0253 X(o=-0.025,f=-0.018) USER MOD Single : A 12 HIS : no HD1:sc= -0.0875 X(o=-0.088,f=-0.096) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 81:sc= 0.0841 USER MOD Single : A 19 ASN : amide:sc= -0.0643 K(o=-0.064,f=-0.57) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 80:sc= 0.628 USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.409 (180deg=-1.06) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.79 K(o=-1.8,f=-3.2!) USER MOD Single : A 35 ASN : amide:sc= 0.466 K(o=0.47,f=-5.3!) USER MOD Single : A 37 MET CE :methyl 179:sc= -4.13! (180deg=-4.13!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 77:sc= 0.161 USER MOD Single : A 54 LYS NZ :NH3+ 130:sc= 0.0119 (180deg=-0.0929) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.557 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN :FLIP amide:sc= -8.43! C(o=-9!,f=-8.4!) USER MOD Single : A 74 SER OG : rot 57:sc= 1.02 USER MOD Single : A 75 HIS : no HE2:sc= -0.5 X(o=-0.5,f=-0.025) USER MOD Single : A 81 GLN : amide:sc= -0.0514 X(o=-0.051,f=-0.34) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 149:sc= -0.391 (180deg=-1.37!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.614 -2.221 12.462 1.00 0.00 N ATOM 2 CA MET A 1 2.638 -2.747 11.468 1.00 0.00 C ATOM 3 C MET A 1 2.737 -2.005 10.145 1.00 0.00 C ATOM 4 O MET A 1 2.445 -0.812 10.066 1.00 0.00 O ATOM 5 CB MET A 1 1.241 -2.603 12.062 1.00 0.00 C ATOM 6 CG MET A 1 0.121 -3.176 11.217 1.00 0.00 C ATOM 7 SD MET A 1 -1.503 -2.887 11.945 1.00 0.00 S ATOM 8 CE MET A 1 -1.434 -1.122 12.242 1.00 0.00 C ATOM 0 H1 MET A 1 4.377 -2.914 12.600 1.00 0.00 H new ATOM 0 H2 MET A 1 4.017 -1.328 12.114 1.00 0.00 H new ATOM 0 H3 MET A 1 3.131 -2.053 13.368 1.00 0.00 H new ATOM 0 HA MET A 1 2.857 -3.794 11.259 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.226 -3.090 13.037 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.042 -1.545 12.232 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.155 -2.731 10.223 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.275 -4.248 11.092 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.439 -0.746 12.437 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.799 -0.923 13.105 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.023 -0.621 11.365 1.00 0.00 H new ATOM 20 N PHE A 2 3.152 -2.723 9.104 1.00 0.00 N ATOM 21 CA PHE A 2 3.297 -2.131 7.782 1.00 0.00 C ATOM 22 C PHE A 2 2.040 -1.369 7.391 1.00 0.00 C ATOM 23 O PHE A 2 1.018 -1.445 8.072 1.00 0.00 O ATOM 24 CB PHE A 2 3.620 -3.208 6.745 1.00 0.00 C ATOM 25 CG PHE A 2 5.033 -3.705 6.832 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.377 -4.692 7.740 1.00 0.00 C ATOM 27 CD2 PHE A 2 6.017 -3.181 6.013 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.677 -5.149 7.828 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.319 -3.632 6.095 1.00 0.00 C ATOM 30 CZ PHE A 2 7.650 -4.618 7.003 1.00 0.00 C ATOM 0 H PHE A 2 3.393 -3.713 9.153 1.00 0.00 H new ATOM 0 HA PHE A 2 4.126 -1.424 7.813 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.937 -4.047 6.877 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.443 -2.807 5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.620 -5.109 8.387 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.763 -2.410 5.301 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.933 -5.920 8.540 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.078 -3.214 5.450 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.668 -4.974 7.068 1.00 0.00 H new ATOM 40 N LYS A 3 2.128 -0.617 6.306 1.00 0.00 N ATOM 41 CA LYS A 3 1.002 0.179 5.848 1.00 0.00 C ATOM 42 C LYS A 3 0.924 0.212 4.332 1.00 0.00 C ATOM 43 O LYS A 3 1.826 0.718 3.672 1.00 0.00 O ATOM 44 CB LYS A 3 1.141 1.602 6.377 1.00 0.00 C ATOM 45 CG LYS A 3 0.839 1.741 7.859 1.00 0.00 C ATOM 46 CD LYS A 3 2.120 1.827 8.677 1.00 0.00 C ATOM 47 CE LYS A 3 1.838 2.213 10.121 1.00 0.00 C ATOM 48 NZ LYS A 3 2.855 3.161 10.651 1.00 0.00 N ATOM 0 H LYS A 3 2.965 -0.541 5.728 1.00 0.00 H new ATOM 0 HA LYS A 3 0.087 -0.278 6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.156 1.951 6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.471 2.254 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.236 2.633 8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.247 0.889 8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.634 0.866 8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.790 2.560 8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.849 2.666 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.821 1.316 10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.627 3.399 11.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.796 2.720 10.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.854 4.028 10.077 1.00 0.00 H new ATOM 62 N VAL A 4 -0.160 -0.313 3.777 1.00 0.00 N ATOM 63 CA VAL A 4 -0.330 -0.309 2.330 1.00 0.00 C ATOM 64 C VAL A 4 -1.414 0.670 1.897 1.00 0.00 C ATOM 65 O VAL A 4 -2.430 0.834 2.570 1.00 0.00 O ATOM 66 CB VAL A 4 -0.679 -1.704 1.770 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.021 -1.616 0.288 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.468 -2.668 1.978 1.00 0.00 C ATOM 0 H VAL A 4 -0.925 -0.742 4.298 1.00 0.00 H new ATOM 0 HA VAL A 4 0.633 0.001 1.924 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.549 -2.076 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.264 -2.609 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.878 -0.956 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.166 -1.219 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.200 -3.645 1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.354 -2.295 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.678 -2.760 3.044 1.00 0.00 H new ATOM 78 N TYR A 5 -1.188 1.289 0.749 1.00 0.00 N ATOM 79 CA TYR A 5 -2.136 2.231 0.177 1.00 0.00 C ATOM 80 C TYR A 5 -2.474 1.801 -1.241 1.00 0.00 C ATOM 81 O TYR A 5 -1.703 2.039 -2.167 1.00 0.00 O ATOM 82 CB TYR A 5 -1.561 3.646 0.159 1.00 0.00 C ATOM 83 CG TYR A 5 -1.397 4.272 1.523 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.514 3.738 2.452 1.00 0.00 C ATOM 85 CD2 TYR A 5 -2.110 5.412 1.874 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.347 4.321 3.692 1.00 0.00 C ATOM 87 CE2 TYR A 5 -1.945 6.003 3.111 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.063 5.454 4.017 1.00 0.00 C ATOM 89 OH TYR A 5 -0.896 6.040 5.250 1.00 0.00 O ATOM 0 H TYR A 5 -0.346 1.153 0.190 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.036 2.236 0.792 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.590 3.624 -0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.211 4.281 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.051 2.853 2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.804 5.843 1.168 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.342 3.892 4.405 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.504 6.891 3.367 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.276 6.943 5.237 1.00 0.00 H new ATOM 99 N GLY A 6 -3.615 1.151 -1.405 1.00 0.00 N ATOM 100 CA GLY A 6 -4.012 0.690 -2.719 1.00 0.00 C ATOM 101 C GLY A 6 -5.496 0.411 -2.804 1.00 0.00 C ATOM 102 O GLY A 6 -6.312 1.183 -2.299 1.00 0.00 O ATOM 0 H GLY A 6 -4.272 0.935 -0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.742 1.441 -3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.459 -0.216 -2.966 1.00 0.00 H new ATOM 106 N TYR A 7 -5.846 -0.693 -3.449 1.00 0.00 N ATOM 107 CA TYR A 7 -7.232 -1.080 -3.609 1.00 0.00 C ATOM 108 C TYR A 7 -7.528 -2.366 -2.850 1.00 0.00 C ATOM 109 O TYR A 7 -6.619 -3.130 -2.529 1.00 0.00 O ATOM 110 CB TYR A 7 -7.536 -1.258 -5.090 1.00 0.00 C ATOM 111 CG TYR A 7 -7.377 0.017 -5.879 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.292 1.053 -5.746 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.305 0.191 -6.746 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.143 2.226 -6.456 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.149 1.363 -7.459 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.069 2.377 -7.311 1.00 0.00 C ATOM 117 OH TYR A 7 -6.917 3.545 -8.023 1.00 0.00 O ATOM 0 H TYR A 7 -5.179 -1.339 -3.872 1.00 0.00 H new ATOM 0 HA TYR A 7 -7.868 -0.296 -3.198 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.874 -2.020 -5.503 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.556 -1.626 -5.205 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.132 0.939 -5.077 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.583 -0.603 -6.864 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.863 3.023 -6.344 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.310 1.484 -8.129 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.792 3.967 -8.150 1.00 0.00 H new ATOM 127 N ASP A 8 -8.801 -2.599 -2.560 1.00 0.00 N ATOM 128 CA ASP A 8 -9.203 -3.795 -1.835 1.00 0.00 C ATOM 129 C ASP A 8 -9.380 -4.972 -2.793 1.00 0.00 C ATOM 130 O ASP A 8 -8.550 -5.883 -2.831 1.00 0.00 O ATOM 131 CB ASP A 8 -10.498 -3.539 -1.059 1.00 0.00 C ATOM 132 CG ASP A 8 -10.946 -4.749 -0.261 1.00 0.00 C ATOM 133 OD1 ASP A 8 -10.082 -5.581 0.088 1.00 0.00 O ATOM 134 OD2 ASP A 8 -12.158 -4.862 0.015 1.00 0.00 O ATOM 0 H ASP A 8 -9.569 -1.978 -2.815 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.416 -4.046 -1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.352 -2.696 -0.384 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.286 -3.256 -1.757 1.00 0.00 H new ATOM 139 N SER A 9 -10.464 -4.947 -3.564 1.00 0.00 N ATOM 140 CA SER A 9 -10.756 -6.010 -4.525 1.00 0.00 C ATOM 141 C SER A 9 -12.185 -5.885 -5.048 1.00 0.00 C ATOM 142 O SER A 9 -12.466 -6.197 -6.205 1.00 0.00 O ATOM 143 CB SER A 9 -10.559 -7.388 -3.883 1.00 0.00 C ATOM 144 OG SER A 9 -10.941 -7.373 -2.519 1.00 0.00 O ATOM 0 H SER A 9 -11.158 -4.200 -3.543 1.00 0.00 H new ATOM 0 HA SER A 9 -10.064 -5.907 -5.361 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.148 -8.131 -4.421 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.514 -7.687 -3.968 1.00 0.00 H new ATOM 0 HG SER A 9 -10.807 -8.263 -2.132 1.00 0.00 H new ATOM 150 N ASN A 10 -13.082 -5.424 -4.181 1.00 0.00 N ATOM 151 CA ASN A 10 -14.487 -5.256 -4.540 1.00 0.00 C ATOM 152 C ASN A 10 -14.735 -3.907 -5.217 1.00 0.00 C ATOM 153 O ASN A 10 -15.705 -3.747 -5.957 1.00 0.00 O ATOM 154 CB ASN A 10 -15.372 -5.394 -3.296 1.00 0.00 C ATOM 155 CG ASN A 10 -16.845 -5.264 -3.619 1.00 0.00 C ATOM 156 OD1 ASN A 10 -17.489 -6.229 -4.029 1.00 0.00 O ATOM 157 ND2 ASN A 10 -17.384 -4.067 -3.434 1.00 0.00 N ATOM 0 H ASN A 10 -12.860 -5.159 -3.221 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.745 -6.040 -5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.189 -6.362 -2.829 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.094 -4.631 -2.569 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.373 -3.917 -3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.810 -3.296 -3.092 1.00 0.00 H new ATOM 164 N ILE A 11 -13.857 -2.944 -4.967 1.00 0.00 N ATOM 165 CA ILE A 11 -13.996 -1.624 -5.561 1.00 0.00 C ATOM 166 C ILE A 11 -13.235 -1.542 -6.874 1.00 0.00 C ATOM 167 O ILE A 11 -13.733 -1.012 -7.869 1.00 0.00 O ATOM 168 CB ILE A 11 -13.480 -0.523 -4.614 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.103 -0.672 -3.224 1.00 0.00 C ATOM 170 CG2 ILE A 11 -13.790 0.847 -5.194 1.00 0.00 C ATOM 171 CD1 ILE A 11 -13.381 -1.654 -2.327 1.00 0.00 C ATOM 0 H ILE A 11 -13.045 -3.053 -4.359 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.059 -1.465 -5.743 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.399 -0.626 -4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.119 0.304 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.140 -0.991 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.422 1.620 -4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.303 0.950 -6.164 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -14.868 0.955 -5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -13.884 -1.702 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.387 -2.641 -2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.351 -1.327 -2.184 1.00 0.00 H new ATOM 183 N HIS A 12 -12.021 -2.070 -6.863 1.00 0.00 N ATOM 184 CA HIS A 12 -11.176 -2.062 -8.041 1.00 0.00 C ATOM 185 C HIS A 12 -10.254 -3.274 -8.029 1.00 0.00 C ATOM 186 O HIS A 12 -9.753 -3.679 -6.980 1.00 0.00 O ATOM 187 CB HIS A 12 -10.388 -0.760 -8.094 1.00 0.00 C ATOM 188 CG HIS A 12 -9.782 -0.459 -9.428 1.00 0.00 C ATOM 189 ND1 HIS A 12 -10.488 -0.416 -10.610 1.00 0.00 N ATOM 190 CD2 HIS A 12 -8.499 -0.183 -9.751 1.00 0.00 C ATOM 191 CE1 HIS A 12 -9.624 -0.132 -11.596 1.00 0.00 C ATOM 192 NE2 HIS A 12 -8.402 0.020 -11.126 1.00 0.00 N ATOM 0 H HIS A 12 -11.600 -2.511 -6.046 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.792 -2.123 -8.938 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.048 0.061 -7.814 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.594 -0.799 -7.348 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.677 -0.128 -9.052 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.894 -0.040 -12.638 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.560 0.240 -11.658 1.00 0.00 H new ATOM 200 N LYS A 13 -10.068 -3.873 -9.196 1.00 0.00 N ATOM 201 CA LYS A 13 -9.240 -5.073 -9.319 1.00 0.00 C ATOM 202 C LYS A 13 -7.799 -4.831 -8.871 1.00 0.00 C ATOM 203 O LYS A 13 -7.251 -3.743 -9.046 1.00 0.00 O ATOM 204 CB LYS A 13 -9.273 -5.607 -10.755 1.00 0.00 C ATOM 205 CG LYS A 13 -8.614 -4.690 -11.769 1.00 0.00 C ATOM 206 CD LYS A 13 -8.266 -5.438 -13.043 1.00 0.00 C ATOM 207 CE LYS A 13 -6.985 -6.239 -12.887 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.816 -5.533 -13.479 1.00 0.00 N ATOM 0 H LYS A 13 -10.477 -3.551 -10.073 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.664 -5.824 -8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.778 -6.578 -10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.310 -5.770 -11.048 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.283 -3.861 -12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.710 -4.259 -11.339 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.085 -6.107 -13.308 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.155 -4.729 -13.864 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.799 -6.425 -11.829 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.103 -7.211 -13.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.961 -6.111 -13.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.982 -5.377 -14.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.687 -4.616 -13.005 1.00 0.00 H new ATOM 222 N CYS A 14 -7.199 -5.867 -8.286 1.00 0.00 N ATOM 223 CA CYS A 14 -5.823 -5.799 -7.801 1.00 0.00 C ATOM 224 C CYS A 14 -5.312 -7.197 -7.457 1.00 0.00 C ATOM 225 O CYS A 14 -5.785 -7.824 -6.511 1.00 0.00 O ATOM 226 CB CYS A 14 -5.729 -4.897 -6.567 1.00 0.00 C ATOM 227 SG CYS A 14 -4.370 -3.706 -6.623 1.00 0.00 S ATOM 0 H CYS A 14 -7.649 -6.770 -8.136 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.204 -5.377 -8.593 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.668 -4.355 -6.454 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.613 -5.522 -5.682 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.376 -2.990 -5.538 1.00 0.00 H new ATOM 233 N VAL A 15 -4.350 -7.682 -8.235 1.00 0.00 N ATOM 234 CA VAL A 15 -3.783 -9.010 -8.011 1.00 0.00 C ATOM 235 C VAL A 15 -2.578 -8.952 -7.076 1.00 0.00 C ATOM 236 O VAL A 15 -2.302 -9.902 -6.343 1.00 0.00 O ATOM 237 CB VAL A 15 -3.349 -9.664 -9.334 1.00 0.00 C ATOM 238 CG1 VAL A 15 -4.561 -10.096 -10.145 1.00 0.00 C ATOM 239 CG2 VAL A 15 -2.476 -8.713 -10.134 1.00 0.00 C ATOM 0 H VAL A 15 -3.946 -7.178 -9.025 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.568 -9.609 -7.551 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.764 -10.554 -9.102 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.230 -10.556 -11.076 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.144 -10.816 -9.572 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.178 -9.226 -10.369 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.177 -9.191 -11.067 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.036 -7.804 -10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.588 -8.461 -9.555 1.00 0.00 H new ATOM 249 N TYR A 16 -1.856 -7.836 -7.119 1.00 0.00 N ATOM 250 CA TYR A 16 -0.671 -7.655 -6.287 1.00 0.00 C ATOM 251 C TYR A 16 -1.028 -7.623 -4.805 1.00 0.00 C ATOM 252 O TYR A 16 -0.209 -7.975 -3.955 1.00 0.00 O ATOM 253 CB TYR A 16 0.054 -6.366 -6.675 1.00 0.00 C ATOM 254 CG TYR A 16 1.032 -6.543 -7.814 1.00 0.00 C ATOM 255 CD1 TYR A 16 2.329 -6.979 -7.578 1.00 0.00 C ATOM 256 CD2 TYR A 16 0.658 -6.277 -9.125 1.00 0.00 C ATOM 257 CE1 TYR A 16 3.226 -7.144 -8.614 1.00 0.00 C ATOM 258 CE2 TYR A 16 1.550 -6.440 -10.169 1.00 0.00 C ATOM 259 CZ TYR A 16 2.832 -6.875 -9.909 1.00 0.00 C ATOM 260 OH TYR A 16 3.723 -7.041 -10.944 1.00 0.00 O ATOM 0 H TYR A 16 -2.071 -7.042 -7.722 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.013 -8.507 -6.457 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.684 -5.614 -6.954 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.587 -5.983 -5.805 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.641 -7.193 -6.566 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.346 -5.937 -9.332 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.232 -7.482 -8.412 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.244 -6.228 -11.183 1.00 0.00 H new ATOM 0 HH TYR A 16 3.287 -6.810 -11.791 1.00 0.00 H new ATOM 270 N CYS A 17 -2.251 -7.202 -4.496 1.00 0.00 N ATOM 271 CA CYS A 17 -2.701 -7.137 -3.112 1.00 0.00 C ATOM 272 C CYS A 17 -2.576 -8.502 -2.450 1.00 0.00 C ATOM 273 O CYS A 17 -1.945 -8.645 -1.402 1.00 0.00 O ATOM 274 CB CYS A 17 -4.151 -6.655 -3.043 1.00 0.00 C ATOM 275 SG CYS A 17 -4.767 -6.409 -1.361 1.00 0.00 S ATOM 0 H CYS A 17 -2.944 -6.903 -5.182 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.069 -6.427 -2.579 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.237 -5.717 -3.591 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.788 -7.380 -3.550 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.365 -5.256 -0.916 1.00 0.00 H new ATOM 281 N ASP A 18 -3.172 -9.506 -3.081 1.00 0.00 N ATOM 282 CA ASP A 18 -3.131 -10.873 -2.567 1.00 0.00 C ATOM 283 C ASP A 18 -1.692 -11.337 -2.347 1.00 0.00 C ATOM 284 O ASP A 18 -1.405 -12.077 -1.406 1.00 0.00 O ATOM 285 CB ASP A 18 -3.840 -11.822 -3.536 1.00 0.00 C ATOM 286 CG ASP A 18 -4.333 -13.082 -2.852 1.00 0.00 C ATOM 287 OD1 ASP A 18 -3.517 -13.756 -2.189 1.00 0.00 O ATOM 288 OD2 ASP A 18 -5.536 -13.393 -2.978 1.00 0.00 O ATOM 0 H ASP A 18 -3.692 -9.401 -3.952 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.646 -10.887 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.684 -11.306 -3.994 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.157 -12.092 -4.341 1.00 0.00 H new ATOM 293 N ASN A 19 -0.792 -10.901 -3.224 1.00 0.00 N ATOM 294 CA ASN A 19 0.616 -11.277 -3.126 1.00 0.00 C ATOM 295 C ASN A 19 1.295 -10.556 -1.964 1.00 0.00 C ATOM 296 O ASN A 19 1.824 -11.190 -1.052 1.00 0.00 O ATOM 297 CB ASN A 19 1.345 -10.958 -4.433 1.00 0.00 C ATOM 298 CG ASN A 19 0.653 -11.560 -5.641 1.00 0.00 C ATOM 299 OD1 ASN A 19 -0.072 -12.547 -5.527 1.00 0.00 O ATOM 300 ND2 ASN A 19 0.877 -10.966 -6.807 1.00 0.00 N ATOM 0 H ASN A 19 -1.012 -10.288 -4.009 1.00 0.00 H new ATOM 0 HA ASN A 19 0.665 -12.350 -2.943 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.410 -9.877 -4.556 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.367 -11.334 -4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.440 -11.326 -7.655 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.486 -10.149 -6.855 1.00 0.00 H new ATOM 307 N ALA A 20 1.276 -9.226 -2.004 1.00 0.00 N ATOM 308 CA ALA A 20 1.891 -8.420 -0.956 1.00 0.00 C ATOM 309 C ALA A 20 1.360 -8.806 0.420 1.00 0.00 C ATOM 310 O ALA A 20 2.105 -8.834 1.400 1.00 0.00 O ATOM 311 CB ALA A 20 1.651 -6.940 -1.219 1.00 0.00 C ATOM 0 H ALA A 20 0.841 -8.685 -2.751 1.00 0.00 H new ATOM 0 HA ALA A 20 2.964 -8.612 -0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.116 -6.350 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.086 -6.666 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.579 -6.743 -1.237 1.00 0.00 H new ATOM 317 N LYS A 21 0.069 -9.113 0.484 1.00 0.00 N ATOM 318 CA LYS A 21 -0.565 -9.503 1.737 1.00 0.00 C ATOM 319 C LYS A 21 0.102 -10.748 2.314 1.00 0.00 C ATOM 320 O LYS A 21 0.543 -10.754 3.464 1.00 0.00 O ATOM 321 CB LYS A 21 -2.056 -9.766 1.515 1.00 0.00 C ATOM 322 CG LYS A 21 -2.933 -8.553 1.772 1.00 0.00 C ATOM 323 CD LYS A 21 -4.347 -8.958 2.154 1.00 0.00 C ATOM 324 CE LYS A 21 -4.919 -8.046 3.227 1.00 0.00 C ATOM 325 NZ LYS A 21 -5.858 -7.041 2.659 1.00 0.00 N ATOM 0 H LYS A 21 -0.560 -9.099 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.449 -8.685 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.208 -10.103 0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.374 -10.579 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.498 -7.951 2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.961 -7.928 0.880 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.986 -8.928 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.347 -9.987 2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.438 -8.646 3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.105 -7.533 3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.226 -6.439 3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.357 -6.451 1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.649 -7.529 2.192 1.00 0.00 H new ATOM 339 N ARG A 22 0.174 -11.799 1.504 1.00 0.00 N ATOM 340 CA ARG A 22 0.788 -13.052 1.929 1.00 0.00 C ATOM 341 C ARG A 22 2.286 -12.877 2.162 1.00 0.00 C ATOM 342 O ARG A 22 2.881 -13.573 2.984 1.00 0.00 O ATOM 343 CB ARG A 22 0.548 -14.143 0.884 1.00 0.00 C ATOM 344 CG ARG A 22 0.740 -15.552 1.420 1.00 0.00 C ATOM 345 CD ARG A 22 -0.584 -16.179 1.828 1.00 0.00 C ATOM 346 NE ARG A 22 -1.152 -17.000 0.760 1.00 0.00 N ATOM 347 CZ ARG A 22 -2.253 -17.734 0.896 1.00 0.00 C ATOM 348 NH1 ARG A 22 -2.909 -17.752 2.051 1.00 0.00 N ATOM 349 NH2 ARG A 22 -2.702 -18.451 -0.125 1.00 0.00 N ATOM 0 H ARG A 22 -0.185 -11.808 0.549 1.00 0.00 H new ATOM 0 HA ARG A 22 0.326 -13.350 2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.466 -14.046 0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.227 -13.987 0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.217 -16.170 0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.412 -15.527 2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.436 -16.792 2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.290 -15.393 2.096 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.676 -17.011 -0.142 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.569 -17.201 2.839 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.753 -18.317 2.150 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.203 -18.440 -1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.546 -19.014 -0.021 1.00 0.00 H new ATOM 363 N LEU A 23 2.888 -11.938 1.436 1.00 0.00 N ATOM 364 CA LEU A 23 4.315 -11.665 1.567 1.00 0.00 C ATOM 365 C LEU A 23 4.670 -11.371 3.018 1.00 0.00 C ATOM 366 O LEU A 23 5.557 -12.002 3.594 1.00 0.00 O ATOM 367 CB LEU A 23 4.703 -10.475 0.682 1.00 0.00 C ATOM 368 CG LEU A 23 6.190 -10.363 0.336 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.463 -9.069 -0.415 1.00 0.00 C ATOM 370 CD2 LEU A 23 7.043 -10.435 1.592 1.00 0.00 C ATOM 0 H LEU A 23 2.409 -11.354 0.751 1.00 0.00 H new ATOM 0 HA LEU A 23 4.869 -12.546 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.136 -10.536 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.395 -9.557 1.183 1.00 0.00 H new ATOM 0 HG LEU A 23 6.455 -11.203 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.525 -9.004 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.882 -9.054 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.178 -8.220 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.096 -10.353 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.775 -9.617 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.870 -11.386 2.095 1.00 0.00 H new ATOM 382 N LEU A 24 3.963 -10.414 3.602 1.00 0.00 N ATOM 383 CA LEU A 24 4.196 -10.032 4.990 1.00 0.00 C ATOM 384 C LEU A 24 3.846 -11.182 5.927 1.00 0.00 C ATOM 385 O LEU A 24 4.559 -11.447 6.895 1.00 0.00 O ATOM 386 CB LEU A 24 3.373 -8.790 5.345 1.00 0.00 C ATOM 387 CG LEU A 24 3.254 -7.747 4.229 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.636 -6.464 4.763 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.615 -7.465 3.604 1.00 0.00 C ATOM 0 H LEU A 24 3.223 -9.887 3.138 1.00 0.00 H new ATOM 0 HA LEU A 24 5.254 -9.797 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.371 -9.108 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.820 -8.315 6.219 1.00 0.00 H new ATOM 0 HG LEU A 24 2.601 -8.149 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.559 -5.734 3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.642 -6.676 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.263 -6.061 5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.506 -6.722 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.295 -7.086 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.020 -8.385 3.183 1.00 0.00 H new ATOM 401 N THR A 25 2.748 -11.869 5.627 1.00 0.00 N ATOM 402 CA THR A 25 2.311 -12.998 6.439 1.00 0.00 C ATOM 403 C THR A 25 3.366 -14.099 6.427 1.00 0.00 C ATOM 404 O THR A 25 3.563 -14.799 7.420 1.00 0.00 O ATOM 405 CB THR A 25 0.980 -13.544 5.917 1.00 0.00 C ATOM 406 OG1 THR A 25 0.037 -12.498 5.759 1.00 0.00 O ATOM 407 CG2 THR A 25 0.363 -14.586 6.824 1.00 0.00 C ATOM 0 H THR A 25 2.146 -11.664 4.829 1.00 0.00 H new ATOM 0 HA THR A 25 2.173 -12.654 7.464 1.00 0.00 H new ATOM 0 HB THR A 25 1.215 -14.012 4.961 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.217 -12.019 4.923 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.578 -14.931 6.395 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.046 -15.429 6.926 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.176 -14.150 7.805 1.00 0.00 H new ATOM 415 N VAL A 26 4.047 -14.237 5.293 1.00 0.00 N ATOM 416 CA VAL A 26 5.090 -15.243 5.136 1.00 0.00 C ATOM 417 C VAL A 26 6.354 -14.844 5.894 1.00 0.00 C ATOM 418 O VAL A 26 7.125 -15.699 6.330 1.00 0.00 O ATOM 419 CB VAL A 26 5.432 -15.458 3.645 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.586 -16.438 3.481 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.207 -15.942 2.883 1.00 0.00 C ATOM 0 H VAL A 26 3.893 -13.661 4.466 1.00 0.00 H new ATOM 0 HA VAL A 26 4.707 -16.176 5.550 1.00 0.00 H new ATOM 0 HB VAL A 26 5.745 -14.500 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.804 -16.569 2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.469 -16.048 3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.312 -17.399 3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.465 -16.088 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.864 -16.886 3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.413 -15.199 2.961 1.00 0.00 H new ATOM 431 N LYS A 27 6.562 -13.539 6.044 1.00 0.00 N ATOM 432 CA LYS A 27 7.733 -13.029 6.749 1.00 0.00 C ATOM 433 C LYS A 27 7.507 -13.012 8.261 1.00 0.00 C ATOM 434 O LYS A 27 8.449 -12.836 9.033 1.00 0.00 O ATOM 435 CB LYS A 27 8.080 -11.623 6.250 1.00 0.00 C ATOM 436 CG LYS A 27 9.291 -11.585 5.331 1.00 0.00 C ATOM 437 CD LYS A 27 8.883 -11.558 3.865 1.00 0.00 C ATOM 438 CE LYS A 27 9.506 -12.709 3.090 1.00 0.00 C ATOM 439 NZ LYS A 27 8.600 -13.217 2.024 1.00 0.00 N ATOM 0 H LYS A 27 5.936 -12.817 5.687 1.00 0.00 H new ATOM 0 HA LYS A 27 8.568 -13.698 6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.220 -11.212 5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.265 -10.977 7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.893 -10.705 5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.918 -12.457 5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.797 -11.612 3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.188 -10.611 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.444 -12.379 2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.748 -13.520 3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.919 -14.158 1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.631 -13.284 2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.616 -12.564 1.214 1.00 0.00 H new ATOM 453 N LYS A 28 6.254 -13.196 8.680 1.00 0.00 N ATOM 454 CA LYS A 28 5.909 -13.205 10.101 1.00 0.00 C ATOM 455 C LYS A 28 5.931 -11.793 10.682 1.00 0.00 C ATOM 456 O LYS A 28 6.630 -11.522 11.659 1.00 0.00 O ATOM 457 CB LYS A 28 6.868 -14.107 10.885 1.00 0.00 C ATOM 458 CG LYS A 28 6.197 -14.874 12.013 1.00 0.00 C ATOM 459 CD LYS A 28 5.921 -16.316 11.621 1.00 0.00 C ATOM 460 CE LYS A 28 4.569 -16.458 10.940 1.00 0.00 C ATOM 461 NZ LYS A 28 4.534 -17.623 10.013 1.00 0.00 N ATOM 0 H LYS A 28 5.461 -13.341 8.055 1.00 0.00 H new ATOM 0 HA LYS A 28 4.897 -13.600 10.193 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.329 -14.817 10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.671 -13.497 11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.833 -14.852 12.898 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.261 -14.384 12.281 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.706 -16.669 10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.951 -16.948 12.509 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.792 -16.572 11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.344 -15.547 10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.596 -17.685 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.258 -17.503 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.724 -18.496 10.545 1.00 0.00 H new ATOM 475 N GLN A 29 5.158 -10.898 10.077 1.00 0.00 N ATOM 476 CA GLN A 29 5.091 -9.518 10.535 1.00 0.00 C ATOM 477 C GLN A 29 3.669 -8.973 10.422 1.00 0.00 C ATOM 478 O GLN A 29 2.957 -9.273 9.463 1.00 0.00 O ATOM 479 CB GLN A 29 6.048 -8.644 9.721 1.00 0.00 C ATOM 480 CG GLN A 29 7.409 -8.458 10.374 1.00 0.00 C ATOM 481 CD GLN A 29 7.359 -7.537 11.579 1.00 0.00 C ATOM 482 OE1 GLN A 29 7.039 -7.965 12.688 1.00 0.00 O ATOM 483 NE2 GLN A 29 7.673 -6.265 11.366 1.00 0.00 N ATOM 0 H GLN A 29 4.570 -11.104 9.269 1.00 0.00 H new ATOM 0 HA GLN A 29 5.387 -9.495 11.584 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.185 -9.090 8.736 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.592 -7.666 9.567 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.796 -9.430 10.680 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.107 -8.053 9.641 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.933 -5.954 10.430 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.655 -5.599 12.138 1.00 0.00 H new ATOM 492 N PRO A 30 3.236 -8.152 11.395 1.00 0.00 N ATOM 493 CA PRO A 30 1.898 -7.558 11.385 1.00 0.00 C ATOM 494 C PRO A 30 1.830 -6.365 10.446 1.00 0.00 C ATOM 495 O PRO A 30 2.819 -5.657 10.267 1.00 0.00 O ATOM 496 CB PRO A 30 1.723 -7.104 12.831 1.00 0.00 C ATOM 497 CG PRO A 30 3.100 -6.734 13.255 1.00 0.00 C ATOM 498 CD PRO A 30 4.015 -7.722 12.575 1.00 0.00 C ATOM 0 HA PRO A 30 1.128 -8.249 11.041 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.040 -6.257 12.905 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.313 -7.899 13.453 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.339 -5.712 12.961 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.203 -6.786 14.339 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.960 -7.262 12.287 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.255 -8.562 13.227 1.00 0.00 H new ATOM 506 N PHE A 31 0.669 -6.135 9.846 1.00 0.00 N ATOM 507 CA PHE A 31 0.519 -5.016 8.926 1.00 0.00 C ATOM 508 C PHE A 31 -0.934 -4.571 8.787 1.00 0.00 C ATOM 509 O PHE A 31 -1.850 -5.241 9.266 1.00 0.00 O ATOM 510 CB PHE A 31 1.075 -5.383 7.571 1.00 0.00 C ATOM 511 CG PHE A 31 0.280 -6.450 6.902 1.00 0.00 C ATOM 512 CD1 PHE A 31 -0.865 -6.130 6.204 1.00 0.00 C ATOM 513 CD2 PHE A 31 0.664 -7.772 6.994 1.00 0.00 C ATOM 514 CE1 PHE A 31 -1.617 -7.112 5.601 1.00 0.00 C ATOM 515 CE2 PHE A 31 -0.082 -8.765 6.396 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.227 -8.437 5.696 1.00 0.00 C ATOM 0 H PHE A 31 -0.171 -6.699 9.977 1.00 0.00 H new ATOM 0 HA PHE A 31 1.079 -4.178 9.341 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.095 -4.497 6.937 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.106 -5.718 7.683 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.175 -5.098 6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.559 -8.032 7.540 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.511 -6.849 5.054 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.228 -9.797 6.474 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.815 -9.211 5.225 1.00 0.00 H new ATOM 526 N GLU A 32 -1.134 -3.435 8.118 1.00 0.00 N ATOM 527 CA GLU A 32 -2.474 -2.898 7.905 1.00 0.00 C ATOM 528 C GLU A 32 -2.604 -2.287 6.513 1.00 0.00 C ATOM 529 O GLU A 32 -1.725 -1.554 6.059 1.00 0.00 O ATOM 530 CB GLU A 32 -2.808 -1.848 8.967 1.00 0.00 C ATOM 531 CG GLU A 32 -4.031 -2.196 9.800 1.00 0.00 C ATOM 532 CD GLU A 32 -4.608 -0.996 10.524 1.00 0.00 C ATOM 533 OE1 GLU A 32 -5.208 -0.130 9.853 1.00 0.00 O ATOM 534 OE2 GLU A 32 -4.459 -0.920 11.762 1.00 0.00 O ATOM 0 H GLU A 32 -0.385 -2.871 7.716 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.181 -3.724 7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.950 -1.726 9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.972 -0.888 8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.795 -2.627 9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.763 -2.961 10.529 1.00 0.00 H new ATOM 541 N PHE A 33 -3.707 -2.600 5.843 1.00 0.00 N ATOM 542 CA PHE A 33 -3.969 -2.098 4.508 1.00 0.00 C ATOM 543 C PHE A 33 -4.720 -0.771 4.558 1.00 0.00 C ATOM 544 O PHE A 33 -5.315 -0.421 5.577 1.00 0.00 O ATOM 545 CB PHE A 33 -4.791 -3.128 3.737 1.00 0.00 C ATOM 546 CG PHE A 33 -4.794 -2.907 2.261 1.00 0.00 C ATOM 547 CD1 PHE A 33 -3.672 -3.193 1.512 1.00 0.00 C ATOM 548 CD2 PHE A 33 -5.918 -2.415 1.626 1.00 0.00 C ATOM 549 CE1 PHE A 33 -3.666 -2.991 0.146 1.00 0.00 C ATOM 550 CE2 PHE A 33 -5.923 -2.211 0.260 1.00 0.00 C ATOM 551 CZ PHE A 33 -4.794 -2.499 -0.482 1.00 0.00 C ATOM 0 H PHE A 33 -4.439 -3.207 6.212 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.017 -1.929 4.006 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.399 -4.123 3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.818 -3.107 4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.789 -3.579 1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.802 -2.188 2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.781 -3.217 -0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.807 -1.827 -0.227 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.793 -2.340 -1.550 1.00 0.00 H new ATOM 561 N ILE A 34 -4.690 -0.041 3.448 1.00 0.00 N ATOM 562 CA ILE A 34 -5.374 1.242 3.350 1.00 0.00 C ATOM 563 C ILE A 34 -5.877 1.473 1.935 1.00 0.00 C ATOM 564 O ILE A 34 -5.104 1.475 0.977 1.00 0.00 O ATOM 565 CB ILE A 34 -4.469 2.416 3.759 1.00 0.00 C ATOM 566 CG1 ILE A 34 -3.707 2.078 5.039 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.295 3.679 3.946 1.00 0.00 C ATOM 568 CD1 ILE A 34 -2.639 3.087 5.394 1.00 0.00 C ATOM 0 H ILE A 34 -4.196 -0.319 2.600 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.215 1.201 4.042 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.745 2.592 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.415 2.006 5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.245 1.097 4.928 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.641 4.502 4.235 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.798 3.927 3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.039 3.515 4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.141 2.781 6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.909 3.143 4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.097 4.066 5.538 1.00 0.00 H new ATOM 580 N ASN A 35 -7.178 1.657 1.818 1.00 0.00 N ATOM 581 CA ASN A 35 -7.811 1.882 0.525 1.00 0.00 C ATOM 582 C ASN A 35 -8.074 3.367 0.298 1.00 0.00 C ATOM 583 O ASN A 35 -8.611 4.054 1.167 1.00 0.00 O ATOM 584 CB ASN A 35 -9.120 1.097 0.431 1.00 0.00 C ATOM 585 CG ASN A 35 -10.040 1.358 1.607 1.00 0.00 C ATOM 586 OD1 ASN A 35 -9.624 1.290 2.763 1.00 0.00 O ATOM 587 ND2 ASN A 35 -11.301 1.657 1.317 1.00 0.00 N ATOM 0 H ASN A 35 -7.825 1.656 2.607 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.130 1.531 -0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.633 1.362 -0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.898 0.031 0.378 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.967 1.841 2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.603 1.703 0.344 1.00 0.00 H new ATOM 594 N ILE A 36 -7.690 3.854 -0.877 1.00 0.00 N ATOM 595 CA ILE A 36 -7.878 5.257 -1.225 1.00 0.00 C ATOM 596 C ILE A 36 -9.146 5.471 -2.050 1.00 0.00 C ATOM 597 O ILE A 36 -9.398 6.570 -2.547 1.00 0.00 O ATOM 598 CB ILE A 36 -6.667 5.793 -2.008 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.470 4.995 -3.301 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.419 5.726 -1.144 1.00 0.00 C ATOM 601 CD1 ILE A 36 -6.606 5.831 -4.554 1.00 0.00 C ATOM 0 H ILE A 36 -7.246 3.296 -1.606 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.978 5.805 -0.288 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.853 6.834 -2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.482 4.534 -3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.199 4.185 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.566 6.107 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.563 6.331 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.231 4.692 -0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.454 5.201 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.603 6.271 -4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.859 6.625 -4.545 1.00 0.00 H new ATOM 613 N MET A 37 -9.941 4.415 -2.194 1.00 0.00 N ATOM 614 CA MET A 37 -11.177 4.487 -2.960 1.00 0.00 C ATOM 615 C MET A 37 -12.287 3.684 -2.274 1.00 0.00 C ATOM 616 O MET A 37 -12.699 2.634 -2.766 1.00 0.00 O ATOM 617 CB MET A 37 -10.935 3.969 -4.386 1.00 0.00 C ATOM 618 CG MET A 37 -12.205 3.754 -5.201 1.00 0.00 C ATOM 619 SD MET A 37 -12.270 4.756 -6.698 1.00 0.00 S ATOM 620 CE MET A 37 -10.915 4.066 -7.646 1.00 0.00 C ATOM 0 H MET A 37 -9.749 3.499 -1.789 1.00 0.00 H new ATOM 0 HA MET A 37 -11.499 5.527 -3.012 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.295 4.677 -4.913 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.390 3.027 -4.330 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.280 2.701 -5.473 1.00 0.00 H new ATOM 0 HG3 MET A 37 -13.070 3.985 -4.580 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.846 4.577 -8.607 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.983 4.198 -7.097 1.00 0.00 H new ATOM 0 HE3 MET A 37 -11.091 3.003 -7.812 1.00 0.00 H new ATOM 630 N PRO A 38 -12.776 4.162 -1.112 1.00 0.00 N ATOM 631 CA PRO A 38 -13.829 3.490 -0.345 1.00 0.00 C ATOM 632 C PRO A 38 -15.230 3.771 -0.886 1.00 0.00 C ATOM 633 O PRO A 38 -16.161 4.023 -0.122 1.00 0.00 O ATOM 634 CB PRO A 38 -13.683 4.079 1.070 1.00 0.00 C ATOM 635 CG PRO A 38 -12.535 5.040 1.009 1.00 0.00 C ATOM 636 CD PRO A 38 -12.336 5.383 -0.440 1.00 0.00 C ATOM 0 HA PRO A 38 -13.719 2.406 -0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.598 4.585 1.377 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.494 3.293 1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.748 5.935 1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.634 4.593 1.428 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.929 6.248 -0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.295 5.618 -0.663 1.00 0.00 H new ATOM 644 N GLU A 39 -15.377 3.721 -2.205 1.00 0.00 N ATOM 645 CA GLU A 39 -16.665 3.970 -2.837 1.00 0.00 C ATOM 646 C GLU A 39 -16.844 3.076 -4.058 1.00 0.00 C ATOM 647 O GLU A 39 -15.904 2.420 -4.500 1.00 0.00 O ATOM 648 CB GLU A 39 -16.781 5.440 -3.242 1.00 0.00 C ATOM 649 CG GLU A 39 -18.173 6.021 -3.045 1.00 0.00 C ATOM 650 CD GLU A 39 -18.305 6.796 -1.750 1.00 0.00 C ATOM 651 OE1 GLU A 39 -17.447 7.666 -1.488 1.00 0.00 O ATOM 652 OE2 GLU A 39 -19.266 6.534 -0.995 1.00 0.00 O ATOM 0 H GLU A 39 -14.620 3.510 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.451 3.738 -2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.067 6.025 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.499 5.542 -4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.410 6.677 -3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -18.904 5.213 -3.056 1.00 0.00 H new ATOM 659 N LYS A 40 -18.055 3.063 -4.607 1.00 0.00 N ATOM 660 CA LYS A 40 -18.353 2.248 -5.782 1.00 0.00 C ATOM 661 C LYS A 40 -17.599 2.727 -7.013 1.00 0.00 C ATOM 662 O LYS A 40 -17.615 2.082 -8.062 1.00 0.00 O ATOM 663 CB LYS A 40 -19.857 2.223 -6.059 1.00 0.00 C ATOM 664 CG LYS A 40 -20.285 1.095 -6.982 1.00 0.00 C ATOM 665 CD LYS A 40 -19.912 -0.264 -6.413 1.00 0.00 C ATOM 666 CE LYS A 40 -20.819 -1.361 -6.950 1.00 0.00 C ATOM 667 NZ LYS A 40 -20.176 -2.702 -6.874 1.00 0.00 N ATOM 0 H LYS A 40 -18.845 3.606 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 40 -18.017 1.235 -5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -20.391 2.130 -5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -20.153 3.175 -6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -21.363 1.141 -7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.815 1.224 -7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.876 -0.492 -6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.979 -0.235 -5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.750 -1.372 -6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.080 -1.142 -7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.827 -3.421 -7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.301 -2.700 -7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.950 -2.923 -5.883 1.00 0.00 H new ATOM 681 N GLY A 41 -16.946 3.857 -6.872 1.00 0.00 N ATOM 682 CA GLY A 41 -16.184 4.426 -7.965 1.00 0.00 C ATOM 683 C GLY A 41 -15.825 5.881 -7.732 1.00 0.00 C ATOM 684 O GLY A 41 -16.044 6.726 -8.600 1.00 0.00 O ATOM 0 H GLY A 41 -16.926 4.403 -6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.270 3.848 -8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -16.759 4.341 -8.887 1.00 0.00 H new ATOM 688 N VAL A 42 -15.270 6.175 -6.559 1.00 0.00 N ATOM 689 CA VAL A 42 -14.881 7.539 -6.224 1.00 0.00 C ATOM 690 C VAL A 42 -13.697 7.571 -5.266 1.00 0.00 C ATOM 691 O VAL A 42 -13.764 7.053 -4.152 1.00 0.00 O ATOM 692 CB VAL A 42 -16.037 8.324 -5.586 1.00 0.00 C ATOM 693 CG1 VAL A 42 -15.720 9.812 -5.556 1.00 0.00 C ATOM 694 CG2 VAL A 42 -17.340 8.064 -6.324 1.00 0.00 C ATOM 0 H VAL A 42 -15.081 5.489 -5.828 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.600 8.007 -7.168 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.158 7.979 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -16.550 10.352 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.815 9.979 -4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.568 10.172 -6.573 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.144 8.631 -5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.237 8.374 -7.364 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.575 7.000 -6.284 1.00 0.00 H new ATOM 704 N PHE A 43 -12.620 8.195 -5.712 1.00 0.00 N ATOM 705 CA PHE A 43 -11.408 8.326 -4.908 1.00 0.00 C ATOM 706 C PHE A 43 -11.654 9.197 -3.678 1.00 0.00 C ATOM 707 O PHE A 43 -12.282 10.252 -3.770 1.00 0.00 O ATOM 708 CB PHE A 43 -10.291 8.943 -5.747 1.00 0.00 C ATOM 709 CG PHE A 43 -9.751 8.020 -6.796 1.00 0.00 C ATOM 710 CD1 PHE A 43 -8.971 6.936 -6.440 1.00 0.00 C ATOM 711 CD2 PHE A 43 -10.024 8.238 -8.136 1.00 0.00 C ATOM 712 CE1 PHE A 43 -8.471 6.082 -7.401 1.00 0.00 C ATOM 713 CE2 PHE A 43 -9.525 7.387 -9.104 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.748 6.308 -8.735 1.00 0.00 C ATOM 0 H PHE A 43 -12.557 8.624 -6.635 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.116 7.330 -4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.666 9.847 -6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.478 9.246 -5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.751 6.756 -5.398 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.633 9.081 -8.427 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.864 5.238 -7.111 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.743 7.566 -10.147 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.357 5.641 -9.489 1.00 0.00 H new ATOM 724 N ASP A 44 -11.137 8.762 -2.532 1.00 0.00 N ATOM 725 CA ASP A 44 -11.291 9.513 -1.288 1.00 0.00 C ATOM 726 C ASP A 44 -10.048 10.357 -1.005 1.00 0.00 C ATOM 727 O ASP A 44 -8.970 9.822 -0.750 1.00 0.00 O ATOM 728 CB ASP A 44 -11.550 8.561 -0.117 1.00 0.00 C ATOM 729 CG ASP A 44 -13.010 8.537 0.292 1.00 0.00 C ATOM 730 OD1 ASP A 44 -13.868 8.313 -0.586 1.00 0.00 O ATOM 731 OD2 ASP A 44 -13.294 8.744 1.490 1.00 0.00 O ATOM 0 H ASP A 44 -10.608 7.895 -2.438 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.146 10.179 -1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.236 7.555 -0.393 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.941 8.862 0.735 1.00 0.00 H new ATOM 736 N ASP A 45 -10.209 11.675 -1.048 1.00 0.00 N ATOM 737 CA ASP A 45 -9.100 12.593 -0.798 1.00 0.00 C ATOM 738 C ASP A 45 -8.570 12.454 0.628 1.00 0.00 C ATOM 739 O ASP A 45 -7.462 12.896 0.930 1.00 0.00 O ATOM 740 CB ASP A 45 -9.546 14.037 -1.045 1.00 0.00 C ATOM 741 CG ASP A 45 -8.449 14.882 -1.662 1.00 0.00 C ATOM 742 OD1 ASP A 45 -7.792 14.403 -2.610 1.00 0.00 O ATOM 743 OD2 ASP A 45 -8.249 16.025 -1.198 1.00 0.00 O ATOM 0 H ASP A 45 -11.097 12.133 -1.254 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.295 12.337 -1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.416 14.039 -1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.859 14.484 -0.102 1.00 0.00 H new ATOM 748 N GLU A 46 -9.363 11.838 1.504 1.00 0.00 N ATOM 749 CA GLU A 46 -8.959 11.648 2.892 1.00 0.00 C ATOM 750 C GLU A 46 -7.712 10.777 2.974 1.00 0.00 C ATOM 751 O GLU A 46 -6.688 11.190 3.518 1.00 0.00 O ATOM 752 CB GLU A 46 -10.095 11.016 3.696 1.00 0.00 C ATOM 753 CG GLU A 46 -11.402 11.784 3.604 1.00 0.00 C ATOM 754 CD GLU A 46 -11.467 12.946 4.577 1.00 0.00 C ATOM 755 OE1 GLU A 46 -11.074 12.761 5.749 1.00 0.00 O ATOM 756 OE2 GLU A 46 -11.909 14.039 4.168 1.00 0.00 O ATOM 0 H GLU A 46 -10.284 11.464 1.276 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.729 12.625 3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.256 9.997 3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.795 10.948 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.528 12.158 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.232 11.105 3.799 1.00 0.00 H new ATOM 763 N LYS A 47 -7.800 9.574 2.419 1.00 0.00 N ATOM 764 CA LYS A 47 -6.672 8.651 2.421 1.00 0.00 C ATOM 765 C LYS A 47 -5.598 9.130 1.451 1.00 0.00 C ATOM 766 O LYS A 47 -4.403 9.046 1.736 1.00 0.00 O ATOM 767 CB LYS A 47 -7.130 7.241 2.040 1.00 0.00 C ATOM 768 CG LYS A 47 -8.379 6.786 2.777 1.00 0.00 C ATOM 769 CD LYS A 47 -8.030 5.994 4.028 1.00 0.00 C ATOM 770 CE LYS A 47 -7.689 6.912 5.191 1.00 0.00 C ATOM 771 NZ LYS A 47 -8.047 6.303 6.502 1.00 0.00 N ATOM 0 H LYS A 47 -8.639 9.216 1.963 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.254 8.621 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.319 7.207 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.322 6.538 2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.978 7.654 3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.990 6.172 2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.870 5.355 4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.184 5.338 3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.623 7.138 5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.217 7.858 5.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.799 6.960 7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.069 6.110 6.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.524 5.413 6.626 1.00 0.00 H new ATOM 785 N ILE A 48 -6.037 9.646 0.307 1.00 0.00 N ATOM 786 CA ILE A 48 -5.122 10.153 -0.709 1.00 0.00 C ATOM 787 C ILE A 48 -4.280 11.296 -0.150 1.00 0.00 C ATOM 788 O ILE A 48 -3.060 11.311 -0.301 1.00 0.00 O ATOM 789 CB ILE A 48 -5.894 10.649 -1.951 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.707 9.510 -2.568 1.00 0.00 C ATOM 791 CG2 ILE A 48 -4.944 11.244 -2.981 1.00 0.00 C ATOM 792 CD1 ILE A 48 -7.938 9.982 -3.308 1.00 0.00 C ATOM 0 H ILE A 48 -7.024 9.724 0.060 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.468 9.332 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.581 11.432 -1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.072 8.951 -3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.008 8.820 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.513 11.586 -3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.412 12.087 -2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.227 10.486 -3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.467 9.122 -3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -8.594 10.516 -2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.642 10.648 -4.118 1.00 0.00 H new ATOM 804 N ALA A 49 -4.942 12.250 0.497 1.00 0.00 N ATOM 805 CA ALA A 49 -4.252 13.392 1.081 1.00 0.00 C ATOM 806 C ALA A 49 -3.264 12.928 2.144 1.00 0.00 C ATOM 807 O ALA A 49 -2.142 13.425 2.227 1.00 0.00 O ATOM 808 CB ALA A 49 -5.252 14.373 1.675 1.00 0.00 C ATOM 0 H ALA A 49 -5.953 12.254 0.629 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.698 13.901 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.718 15.220 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.923 14.728 0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.832 13.875 2.452 1.00 0.00 H new ATOM 814 N GLU A 50 -3.689 11.957 2.946 1.00 0.00 N ATOM 815 CA GLU A 50 -2.845 11.409 3.998 1.00 0.00 C ATOM 816 C GLU A 50 -1.623 10.724 3.394 1.00 0.00 C ATOM 817 O GLU A 50 -0.522 10.805 3.938 1.00 0.00 O ATOM 818 CB GLU A 50 -3.641 10.413 4.847 1.00 0.00 C ATOM 819 CG GLU A 50 -2.782 9.583 5.791 1.00 0.00 C ATOM 820 CD GLU A 50 -3.284 9.616 7.222 1.00 0.00 C ATOM 821 OE1 GLU A 50 -3.543 10.725 7.734 1.00 0.00 O ATOM 822 OE2 GLU A 50 -3.419 8.533 7.829 1.00 0.00 O ATOM 0 H GLU A 50 -4.615 11.534 2.886 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.508 12.226 4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.382 10.959 5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.188 9.742 4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.760 8.551 5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.757 9.952 5.761 1.00 0.00 H new ATOM 829 N LEU A 51 -1.826 10.055 2.263 1.00 0.00 N ATOM 830 CA LEU A 51 -0.743 9.361 1.585 1.00 0.00 C ATOM 831 C LEU A 51 0.368 10.334 1.208 1.00 0.00 C ATOM 832 O LEU A 51 1.534 10.113 1.529 1.00 0.00 O ATOM 833 CB LEU A 51 -1.267 8.656 0.334 1.00 0.00 C ATOM 834 CG LEU A 51 -0.205 7.932 -0.492 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.613 7.010 0.393 1.00 0.00 C ATOM 836 CD2 LEU A 51 -0.852 7.146 -1.621 1.00 0.00 C ATOM 0 H LEU A 51 -2.731 9.980 1.799 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.335 8.616 2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.027 7.934 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.759 9.393 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 51 0.461 8.677 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.366 6.501 -0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.105 7.594 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.043 6.272 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.080 6.637 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.539 6.409 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.401 7.827 -2.271 1.00 0.00 H new ATOM 848 N LEU A 52 -0.005 11.419 0.534 1.00 0.00 N ATOM 849 CA LEU A 52 0.953 12.431 0.123 1.00 0.00 C ATOM 850 C LEU A 52 1.773 12.925 1.306 1.00 0.00 C ATOM 851 O LEU A 52 2.999 13.011 1.238 1.00 0.00 O ATOM 852 CB LEU A 52 0.219 13.571 -0.522 1.00 0.00 C ATOM 853 CG LEU A 52 -0.360 13.201 -1.872 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.158 14.348 -2.394 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.746 12.820 -2.843 1.00 0.00 C ATOM 0 H LEU A 52 -0.968 11.616 0.262 1.00 0.00 H new ATOM 0 HA LEU A 52 1.646 11.991 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.585 13.900 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.898 14.415 -0.641 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.013 12.335 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.577 14.087 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.967 14.575 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.514 15.221 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.310 12.558 -3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.425 13.663 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.297 11.966 -2.450 1.00 0.00 H new ATOM 867 N THR A 53 1.081 13.238 2.395 1.00 0.00 N ATOM 868 CA THR A 53 1.735 13.713 3.608 1.00 0.00 C ATOM 869 C THR A 53 2.664 12.641 4.166 1.00 0.00 C ATOM 870 O THR A 53 3.700 12.948 4.756 1.00 0.00 O ATOM 871 CB THR A 53 0.692 14.097 4.658 1.00 0.00 C ATOM 872 OG1 THR A 53 -0.220 15.047 4.136 1.00 0.00 O ATOM 873 CG2 THR A 53 1.296 14.684 5.915 1.00 0.00 C ATOM 0 H THR A 53 0.065 13.171 2.463 1.00 0.00 H new ATOM 0 HA THR A 53 2.326 14.594 3.358 1.00 0.00 H new ATOM 0 HB THR A 53 0.188 13.166 4.917 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.857 14.597 3.542 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.501 14.934 6.618 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.967 13.956 6.370 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.855 15.585 5.663 1.00 0.00 H new ATOM 881 N LYS A 54 2.286 11.382 3.970 1.00 0.00 N ATOM 882 CA LYS A 54 3.086 10.262 4.448 1.00 0.00 C ATOM 883 C LYS A 54 4.401 10.179 3.680 1.00 0.00 C ATOM 884 O LYS A 54 5.439 9.827 4.242 1.00 0.00 O ATOM 885 CB LYS A 54 2.304 8.953 4.308 1.00 0.00 C ATOM 886 CG LYS A 54 1.683 8.476 5.612 1.00 0.00 C ATOM 887 CD LYS A 54 2.746 8.063 6.617 1.00 0.00 C ATOM 888 CE LYS A 54 3.353 6.717 6.263 1.00 0.00 C ATOM 889 NZ LYS A 54 4.773 6.614 6.699 1.00 0.00 N ATOM 0 H LYS A 54 1.431 11.113 3.484 1.00 0.00 H new ATOM 0 HA LYS A 54 3.312 10.423 5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.516 9.087 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.971 8.179 3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.069 9.271 6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.021 7.633 5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.530 8.819 6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.307 8.015 7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.771 5.923 6.731 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.292 6.564 5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.910 5.730 7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.393 6.616 5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.009 7.424 7.308 1.00 0.00 H new ATOM 903 N LEU A 55 4.353 10.521 2.396 1.00 0.00 N ATOM 904 CA LEU A 55 5.543 10.500 1.551 1.00 0.00 C ATOM 905 C LEU A 55 6.606 11.442 2.104 1.00 0.00 C ATOM 906 O LEU A 55 7.798 11.135 2.083 1.00 0.00 O ATOM 907 CB LEU A 55 5.185 10.910 0.122 1.00 0.00 C ATOM 908 CG LEU A 55 4.252 9.954 -0.632 1.00 0.00 C ATOM 909 CD1 LEU A 55 4.669 9.858 -2.086 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.248 8.569 0.003 1.00 0.00 C ATOM 0 H LEU A 55 3.502 10.816 1.917 1.00 0.00 H new ATOM 0 HA LEU A 55 5.940 9.485 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.718 11.895 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.108 11.012 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 55 3.240 10.355 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.000 9.177 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.617 10.845 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.691 9.483 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.577 7.915 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.257 8.157 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.907 8.643 1.036 1.00 0.00 H new ATOM 922 N GLY A 56 6.158 12.591 2.598 1.00 0.00 N ATOM 923 CA GLY A 56 7.068 13.577 3.151 1.00 0.00 C ATOM 924 C GLY A 56 6.494 14.978 3.079 1.00 0.00 C ATOM 925 O GLY A 56 5.590 15.326 3.839 1.00 0.00 O ATOM 0 H GLY A 56 5.174 12.858 2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.287 13.327 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.013 13.543 2.609 1.00 0.00 H new ATOM 929 N ARG A 57 7.014 15.782 2.158 1.00 0.00 N ATOM 930 CA ARG A 57 6.540 17.150 1.979 1.00 0.00 C ATOM 931 C ARG A 57 6.706 17.590 0.532 1.00 0.00 C ATOM 932 O ARG A 57 6.932 18.767 0.248 1.00 0.00 O ATOM 933 CB ARG A 57 7.290 18.103 2.912 1.00 0.00 C ATOM 934 CG ARG A 57 8.789 18.145 2.661 1.00 0.00 C ATOM 935 CD ARG A 57 9.466 19.206 3.513 1.00 0.00 C ATOM 936 NE ARG A 57 10.922 19.082 3.488 1.00 0.00 N ATOM 937 CZ ARG A 57 11.728 19.629 4.394 1.00 0.00 C ATOM 938 NH1 ARG A 57 11.226 20.339 5.397 1.00 0.00 N ATOM 939 NH2 ARG A 57 13.040 19.468 4.297 1.00 0.00 N ATOM 0 H ARG A 57 7.765 15.510 1.523 1.00 0.00 H new ATOM 0 HA ARG A 57 5.480 17.180 2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.882 19.107 2.796 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.111 17.803 3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.223 17.169 2.880 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.977 18.349 1.607 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.180 20.195 3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.113 19.125 4.541 1.00 0.00 H new ATOM 0 HE ARG A 57 11.345 18.544 2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.217 20.468 5.476 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.849 20.756 6.089 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.432 18.925 3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.658 19.887 4.992 1.00 0.00 H new ATOM 953 N ASP A 58 6.594 16.631 -0.379 1.00 0.00 N ATOM 954 CA ASP A 58 6.727 16.899 -1.803 1.00 0.00 C ATOM 955 C ASP A 58 5.451 16.493 -2.545 1.00 0.00 C ATOM 956 O ASP A 58 4.352 16.589 -1.998 1.00 0.00 O ATOM 957 CB ASP A 58 7.944 16.150 -2.361 1.00 0.00 C ATOM 958 CG ASP A 58 9.162 16.271 -1.464 1.00 0.00 C ATOM 959 OD1 ASP A 58 9.716 17.385 -1.363 1.00 0.00 O ATOM 960 OD2 ASP A 58 9.562 15.250 -0.865 1.00 0.00 O ATOM 0 H ASP A 58 6.410 15.654 -0.153 1.00 0.00 H new ATOM 0 HA ASP A 58 6.877 17.968 -1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.692 15.097 -2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.185 16.540 -3.350 1.00 0.00 H new ATOM 965 N THR A 59 5.601 16.039 -3.785 1.00 0.00 N ATOM 966 CA THR A 59 4.462 15.617 -4.591 1.00 0.00 C ATOM 967 C THR A 59 4.602 14.154 -4.996 1.00 0.00 C ATOM 968 O THR A 59 5.655 13.545 -4.805 1.00 0.00 O ATOM 969 CB THR A 59 4.337 16.493 -5.837 1.00 0.00 C ATOM 970 OG1 THR A 59 3.405 15.938 -6.748 1.00 0.00 O ATOM 971 CG2 THR A 59 5.647 16.674 -6.574 1.00 0.00 C ATOM 0 H THR A 59 6.503 15.954 -4.254 1.00 0.00 H new ATOM 0 HA THR A 59 3.560 15.728 -3.989 1.00 0.00 H new ATOM 0 HB THR A 59 4.004 17.466 -5.475 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.337 16.514 -7.538 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.488 17.306 -7.448 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.374 17.145 -5.913 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.023 15.702 -6.892 1.00 0.00 H new ATOM 979 N GLN A 60 3.538 13.594 -5.562 1.00 0.00 N ATOM 980 CA GLN A 60 3.550 12.206 -5.997 1.00 0.00 C ATOM 981 C GLN A 60 4.180 12.088 -7.375 1.00 0.00 C ATOM 982 O GLN A 60 3.530 12.315 -8.396 1.00 0.00 O ATOM 983 CB GLN A 60 2.132 11.638 -6.024 1.00 0.00 C ATOM 984 CG GLN A 60 1.131 12.530 -6.740 1.00 0.00 C ATOM 985 CD GLN A 60 0.151 11.742 -7.586 1.00 0.00 C ATOM 986 OE1 GLN A 60 0.114 11.884 -8.809 1.00 0.00 O ATOM 987 NE2 GLN A 60 -0.652 10.907 -6.938 1.00 0.00 N ATOM 0 H GLN A 60 2.658 14.082 -5.729 1.00 0.00 H new ATOM 0 HA GLN A 60 4.144 11.632 -5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.150 10.663 -6.511 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.795 11.477 -5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.581 13.116 -6.004 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.667 13.236 -7.374 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.587 10.821 -5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.334 10.351 -7.454 1.00 0.00 H new ATOM 996 N ILE A 61 5.451 11.728 -7.388 1.00 0.00 N ATOM 997 CA ILE A 61 6.197 11.572 -8.632 1.00 0.00 C ATOM 998 C ILE A 61 5.900 10.229 -9.288 1.00 0.00 C ATOM 999 O ILE A 61 6.640 9.262 -9.110 1.00 0.00 O ATOM 1000 CB ILE A 61 7.717 11.689 -8.395 1.00 0.00 C ATOM 1001 CG1 ILE A 61 8.037 12.955 -7.597 1.00 0.00 C ATOM 1002 CG2 ILE A 61 8.462 11.690 -9.721 1.00 0.00 C ATOM 1003 CD1 ILE A 61 9.107 12.753 -6.546 1.00 0.00 C ATOM 0 H ILE A 61 5.995 11.536 -6.547 1.00 0.00 H new ATOM 0 HA ILE A 61 5.876 12.376 -9.295 1.00 0.00 H new ATOM 0 HB ILE A 61 8.046 10.826 -7.816 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.358 13.737 -8.285 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.127 13.310 -7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.533 11.773 -9.537 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.257 10.762 -10.254 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.131 12.536 -10.324 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.282 13.691 -6.020 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.780 11.994 -5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.031 12.428 -7.025 1.00 0.00 H new ATOM 1015 N GLY A 62 4.813 10.178 -10.050 1.00 0.00 N ATOM 1016 CA GLY A 62 4.438 8.949 -10.724 1.00 0.00 C ATOM 1017 C GLY A 62 4.250 7.791 -9.764 1.00 0.00 C ATOM 1018 O GLY A 62 4.385 6.630 -10.148 1.00 0.00 O ATOM 0 H GLY A 62 4.185 10.965 -10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.513 9.111 -11.278 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.206 8.690 -11.453 1.00 0.00 H new ATOM 1022 N LEU A 63 3.939 8.107 -8.509 1.00 0.00 N ATOM 1023 CA LEU A 63 3.732 7.081 -7.494 1.00 0.00 C ATOM 1024 C LEU A 63 2.608 6.134 -7.906 1.00 0.00 C ATOM 1025 O LEU A 63 1.618 6.554 -8.505 1.00 0.00 O ATOM 1026 CB LEU A 63 3.414 7.724 -6.142 1.00 0.00 C ATOM 1027 CG LEU A 63 4.370 7.352 -5.008 1.00 0.00 C ATOM 1028 CD1 LEU A 63 4.447 5.841 -4.849 1.00 0.00 C ATOM 1029 CD2 LEU A 63 5.751 7.933 -5.264 1.00 0.00 C ATOM 0 H LEU A 63 3.825 9.063 -8.173 1.00 0.00 H new ATOM 0 HA LEU A 63 4.652 6.504 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.420 8.807 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.402 7.441 -5.851 1.00 0.00 H new ATOM 0 HG LEU A 63 3.985 7.776 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.132 5.595 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.456 5.448 -4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.808 5.396 -5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.418 7.658 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.144 7.539 -6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.683 9.019 -5.327 1.00 0.00 H new ATOM 1041 N THR A 64 2.771 4.855 -7.587 1.00 0.00 N ATOM 1042 CA THR A 64 1.770 3.854 -7.933 1.00 0.00 C ATOM 1043 C THR A 64 1.292 3.094 -6.700 1.00 0.00 C ATOM 1044 O THR A 64 1.887 3.186 -5.626 1.00 0.00 O ATOM 1045 CB THR A 64 2.335 2.875 -8.963 1.00 0.00 C ATOM 1046 OG1 THR A 64 3.718 2.660 -8.745 1.00 0.00 O ATOM 1047 CG2 THR A 64 2.163 3.343 -10.391 1.00 0.00 C ATOM 0 H THR A 64 3.584 4.488 -7.091 1.00 0.00 H new ATOM 0 HA THR A 64 0.914 4.374 -8.362 1.00 0.00 H new ATOM 0 HB THR A 64 1.766 1.955 -8.828 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.060 2.030 -9.413 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.585 2.602 -11.070 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.102 3.470 -10.607 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.677 4.294 -10.527 1.00 0.00 H new ATOM 1055 N MET A 65 0.213 2.338 -6.870 1.00 0.00 N ATOM 1056 CA MET A 65 -0.354 1.553 -5.783 1.00 0.00 C ATOM 1057 C MET A 65 -0.148 0.063 -6.029 1.00 0.00 C ATOM 1058 O MET A 65 -0.007 -0.370 -7.173 1.00 0.00 O ATOM 1059 CB MET A 65 -1.846 1.858 -5.631 1.00 0.00 C ATOM 1060 CG MET A 65 -2.131 3.246 -5.081 1.00 0.00 C ATOM 1061 SD MET A 65 -3.641 3.965 -5.754 1.00 0.00 S ATOM 1062 CE MET A 65 -2.988 4.868 -7.157 1.00 0.00 C ATOM 0 H MET A 65 -0.287 2.253 -7.755 1.00 0.00 H new ATOM 0 HA MET A 65 0.159 1.826 -4.861 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.330 1.755 -6.602 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.295 1.116 -4.971 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.212 3.193 -3.995 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.290 3.901 -5.306 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.803 5.369 -7.678 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.269 5.610 -6.810 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.494 4.175 -7.838 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.120 -0.745 -4.956 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.280 -0.275 -3.581 1.00 0.00 C ATOM 1074 C PRO A 66 0.996 0.338 -3.015 1.00 0.00 C ATOM 1075 O PRO A 66 2.097 -0.164 -3.245 1.00 0.00 O ATOM 1076 CB PRO A 66 -0.648 -1.548 -2.801 1.00 0.00 C ATOM 1077 CG PRO A 66 -0.758 -2.636 -3.822 1.00 0.00 C ATOM 1078 CD PRO A 66 0.064 -2.193 -4.995 1.00 0.00 C ATOM 0 HA PRO A 66 -1.028 0.515 -3.515 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.114 -1.785 -2.058 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.588 -1.419 -2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.391 -3.582 -3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.797 -2.794 -4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.112 -2.475 -4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.291 -2.626 -5.930 1.00 0.00 H new ATOM 1086 N GLN A 67 0.835 1.418 -2.258 1.00 0.00 N ATOM 1087 CA GLN A 67 1.965 2.094 -1.639 1.00 0.00 C ATOM 1088 C GLN A 67 2.126 1.628 -0.197 1.00 0.00 C ATOM 1089 O GLN A 67 1.256 1.857 0.641 1.00 0.00 O ATOM 1090 CB GLN A 67 1.769 3.611 -1.684 1.00 0.00 C ATOM 1091 CG GLN A 67 2.479 4.283 -2.847 1.00 0.00 C ATOM 1092 CD GLN A 67 1.578 5.234 -3.611 1.00 0.00 C ATOM 1093 OE1 GLN A 67 1.871 6.526 -3.526 1.00 0.00 O flip ATOM 1094 NE2 GLN A 67 0.628 4.811 -4.270 1.00 0.00 N flip ATOM 0 H GLN A 67 -0.070 1.844 -2.059 1.00 0.00 H new ATOM 0 HA GLN A 67 2.869 1.844 -2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.703 3.829 -1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.130 4.043 -0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.344 4.830 -2.472 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.855 3.520 -3.528 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.439 3.809 -4.308 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.030 5.462 -4.778 1.00 0.00 H new ATOM 1103 N VAL A 68 3.233 0.956 0.086 1.00 0.00 N ATOM 1104 CA VAL A 68 3.486 0.449 1.426 1.00 0.00 C ATOM 1105 C VAL A 68 4.352 1.403 2.235 1.00 0.00 C ATOM 1106 O VAL A 68 5.050 2.253 1.679 1.00 0.00 O ATOM 1107 CB VAL A 68 4.162 -0.937 1.393 1.00 0.00 C ATOM 1108 CG1 VAL A 68 4.111 -1.589 2.766 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.509 -1.829 0.348 1.00 0.00 C ATOM 0 H VAL A 68 3.967 0.750 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 68 2.512 0.359 1.906 1.00 0.00 H new ATOM 0 HB VAL A 68 5.208 -0.802 1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.593 -2.566 2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.632 -0.959 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.072 -1.710 3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.001 -2.802 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.454 -1.958 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.604 -1.368 -0.635 1.00 0.00 H new ATOM 1119 N PHE A 69 4.307 1.252 3.556 1.00 0.00 N ATOM 1120 CA PHE A 69 5.093 2.096 4.447 1.00 0.00 C ATOM 1121 C PHE A 69 5.622 1.289 5.627 1.00 0.00 C ATOM 1122 O PHE A 69 5.047 0.269 6.006 1.00 0.00 O ATOM 1123 CB PHE A 69 4.249 3.259 4.956 1.00 0.00 C ATOM 1124 CG PHE A 69 3.904 4.238 3.884 1.00 0.00 C ATOM 1125 CD1 PHE A 69 2.769 4.064 3.108 1.00 0.00 C ATOM 1126 CD2 PHE A 69 4.721 5.323 3.642 1.00 0.00 C ATOM 1127 CE1 PHE A 69 2.456 4.962 2.110 1.00 0.00 C ATOM 1128 CE2 PHE A 69 4.413 6.226 2.646 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.278 6.046 1.877 1.00 0.00 C ATOM 0 H PHE A 69 3.735 0.554 4.031 1.00 0.00 H new ATOM 0 HA PHE A 69 5.939 2.488 3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.330 2.870 5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.789 3.773 5.751 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.124 3.217 3.287 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.610 5.467 4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.569 4.818 1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.058 7.073 2.467 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.035 6.752 1.096 1.00 0.00 H new ATOM 1139 N ALA A 70 6.739 1.741 6.182 1.00 0.00 N ATOM 1140 CA ALA A 70 7.377 1.055 7.302 1.00 0.00 C ATOM 1141 C ALA A 70 6.473 0.995 8.537 1.00 0.00 C ATOM 1142 O ALA A 70 5.684 1.906 8.788 1.00 0.00 O ATOM 1143 CB ALA A 70 8.694 1.735 7.648 1.00 0.00 C ATOM 0 H ALA A 70 7.225 2.583 5.874 1.00 0.00 H new ATOM 0 HA ALA A 70 7.566 0.028 6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.163 1.216 8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.358 1.704 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.506 2.773 7.924 1.00 0.00 H new ATOM 1149 N PRO A 71 6.590 -0.090 9.328 1.00 0.00 N ATOM 1150 CA PRO A 71 5.802 -0.283 10.558 1.00 0.00 C ATOM 1151 C PRO A 71 5.947 0.881 11.533 1.00 0.00 C ATOM 1152 O PRO A 71 5.078 1.110 12.373 1.00 0.00 O ATOM 1153 CB PRO A 71 6.407 -1.555 11.160 1.00 0.00 C ATOM 1154 CG PRO A 71 6.967 -2.284 9.996 1.00 0.00 C ATOM 1155 CD PRO A 71 7.513 -1.218 9.094 1.00 0.00 C ATOM 0 HA PRO A 71 4.734 -0.349 10.352 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.181 -1.320 11.891 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.652 -2.149 11.675 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.749 -2.978 10.304 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.200 -2.872 9.492 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.541 -0.960 9.349 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.513 -1.532 8.050 1.00 0.00 H new ATOM 1163 N ASP A 72 7.053 1.610 11.421 1.00 0.00 N ATOM 1164 CA ASP A 72 7.315 2.743 12.303 1.00 0.00 C ATOM 1165 C ASP A 72 6.955 4.066 11.632 1.00 0.00 C ATOM 1166 O ASP A 72 6.599 5.035 12.303 1.00 0.00 O ATOM 1167 CB ASP A 72 8.786 2.758 12.718 1.00 0.00 C ATOM 1168 CG ASP A 72 9.723 2.774 11.525 1.00 0.00 C ATOM 1169 OD1 ASP A 72 9.762 1.767 10.788 1.00 0.00 O ATOM 1170 OD2 ASP A 72 10.415 3.794 11.328 1.00 0.00 O ATOM 0 H ASP A 72 7.782 1.437 10.729 1.00 0.00 H new ATOM 0 HA ASP A 72 6.689 2.628 13.188 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.977 3.634 13.338 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.997 1.881 13.331 1.00 0.00 H new ATOM 1175 N GLY A 73 7.054 4.106 10.307 1.00 0.00 N ATOM 1176 CA GLY A 73 6.735 5.320 9.584 1.00 0.00 C ATOM 1177 C GLY A 73 7.794 5.690 8.562 1.00 0.00 C ATOM 1178 O GLY A 73 8.777 6.357 8.888 1.00 0.00 O ATOM 0 H GLY A 73 7.348 3.322 9.724 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.777 5.196 9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.618 6.140 10.293 1.00 0.00 H new ATOM 1182 N SER A 74 7.588 5.256 7.325 1.00 0.00 N ATOM 1183 CA SER A 74 8.522 5.541 6.240 1.00 0.00 C ATOM 1184 C SER A 74 8.031 4.916 4.938 1.00 0.00 C ATOM 1185 O SER A 74 7.212 4.000 4.957 1.00 0.00 O ATOM 1186 CB SER A 74 9.919 5.017 6.580 1.00 0.00 C ATOM 1187 OG SER A 74 10.740 6.049 7.097 1.00 0.00 O ATOM 0 H SER A 74 6.778 4.702 7.046 1.00 0.00 H new ATOM 0 HA SER A 74 8.578 6.622 6.112 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.841 4.211 7.309 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.380 4.595 5.687 1.00 0.00 H new ATOM 0 HG SER A 74 10.307 6.450 7.879 1.00 0.00 H new ATOM 1193 N HIS A 75 8.530 5.419 3.815 1.00 0.00 N ATOM 1194 CA HIS A 75 8.136 4.908 2.505 1.00 0.00 C ATOM 1195 C HIS A 75 9.055 3.774 2.061 1.00 0.00 C ATOM 1196 O HIS A 75 10.275 3.932 2.028 1.00 0.00 O ATOM 1197 CB HIS A 75 8.164 6.035 1.470 1.00 0.00 C ATOM 1198 CG HIS A 75 7.406 5.721 0.218 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.597 6.374 -0.979 1.00 0.00 N ATOM 1200 CD2 HIS A 75 6.434 4.800 -0.008 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.755 5.843 -1.876 1.00 0.00 C ATOM 1202 NE2 HIS A 75 6.027 4.883 -1.338 1.00 0.00 N ATOM 0 H HIS A 75 9.208 6.180 3.784 1.00 0.00 H new ATOM 0 HA HIS A 75 7.122 4.517 2.585 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.750 6.938 1.918 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.200 6.254 1.212 1.00 0.00 H new ATOM 0 HD1 HIS A 75 8.262 7.128 -1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 75 6.039 4.113 0.726 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.682 6.160 -2.906 1.00 0.00 H new ATOM 1210 N ILE A 76 8.466 2.625 1.726 1.00 0.00 N ATOM 1211 CA ILE A 76 9.252 1.471 1.289 1.00 0.00 C ATOM 1212 C ILE A 76 8.921 1.081 -0.154 1.00 0.00 C ATOM 1213 O ILE A 76 9.759 0.516 -0.858 1.00 0.00 O ATOM 1214 CB ILE A 76 9.042 0.255 2.222 1.00 0.00 C ATOM 1215 CG1 ILE A 76 9.759 0.488 3.551 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.543 -1.030 1.572 1.00 0.00 C ATOM 1217 CD1 ILE A 76 8.886 1.135 4.601 1.00 0.00 C ATOM 0 H ILE A 76 7.458 2.469 1.748 1.00 0.00 H new ATOM 0 HA ILE A 76 10.300 1.768 1.337 1.00 0.00 H new ATOM 0 HB ILE A 76 7.973 0.145 2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 76 10.123 -0.467 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.633 1.117 3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.382 -1.868 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.998 -1.205 0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.607 -0.937 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 76 9.459 1.270 5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.542 2.105 4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.025 0.497 4.802 1.00 0.00 H new ATOM 1229 N GLY A 77 7.702 1.382 -0.595 1.00 0.00 N ATOM 1230 CA GLY A 77 7.310 1.049 -1.954 1.00 0.00 C ATOM 1231 C GLY A 77 6.114 0.117 -2.013 1.00 0.00 C ATOM 1232 O GLY A 77 5.325 0.048 -1.072 1.00 0.00 O ATOM 0 H GLY A 77 6.983 1.847 -0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.076 1.966 -2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.152 0.584 -2.466 1.00 0.00 H new ATOM 1236 N GLY A 78 5.975 -0.590 -3.131 1.00 0.00 N ATOM 1237 CA GLY A 78 4.863 -1.510 -3.298 1.00 0.00 C ATOM 1238 C GLY A 78 5.245 -2.949 -3.004 1.00 0.00 C ATOM 1239 O GLY A 78 5.995 -3.217 -2.067 1.00 0.00 O ATOM 0 H GLY A 78 6.613 -0.542 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.048 -1.212 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.488 -1.439 -4.319 1.00 0.00 H new ATOM 1243 N PHE A 79 4.723 -3.877 -3.803 1.00 0.00 N ATOM 1244 CA PHE A 79 5.014 -5.297 -3.617 1.00 0.00 C ATOM 1245 C PHE A 79 6.485 -5.597 -3.886 1.00 0.00 C ATOM 1246 O PHE A 79 7.248 -5.888 -2.965 1.00 0.00 O ATOM 1247 CB PHE A 79 4.133 -6.145 -4.540 1.00 0.00 C ATOM 1248 CG PHE A 79 4.382 -7.623 -4.425 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.415 -8.243 -3.185 1.00 0.00 C ATOM 1250 CD2 PHE A 79 4.584 -8.394 -5.559 1.00 0.00 C ATOM 1251 CE1 PHE A 79 4.644 -9.603 -3.080 1.00 0.00 C ATOM 1252 CE2 PHE A 79 4.813 -9.753 -5.460 1.00 0.00 C ATOM 1253 CZ PHE A 79 4.844 -10.359 -4.219 1.00 0.00 C ATOM 0 H PHE A 79 4.098 -3.672 -4.583 1.00 0.00 H new ATOM 0 HA PHE A 79 4.796 -5.551 -2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.086 -5.944 -4.314 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.301 -5.837 -5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.260 -7.657 -2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.562 -7.927 -6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.666 -10.074 -2.108 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.968 -10.341 -6.352 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.024 -11.421 -4.139 1.00 0.00 H new ATOM 1263 N ASP A 80 6.878 -5.520 -5.154 1.00 0.00 N ATOM 1264 CA ASP A 80 8.259 -5.785 -5.543 1.00 0.00 C ATOM 1265 C ASP A 80 9.216 -4.848 -4.816 1.00 0.00 C ATOM 1266 O ASP A 80 10.206 -5.287 -4.223 1.00 0.00 O ATOM 1267 CB ASP A 80 8.424 -5.626 -7.057 1.00 0.00 C ATOM 1268 CG ASP A 80 9.768 -6.126 -7.547 1.00 0.00 C ATOM 1269 OD1 ASP A 80 10.078 -7.316 -7.327 1.00 0.00 O ATOM 1270 OD2 ASP A 80 10.513 -5.326 -8.153 1.00 0.00 O ATOM 0 H ASP A 80 6.261 -5.277 -5.929 1.00 0.00 H new ATOM 0 HA ASP A 80 8.499 -6.811 -5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.629 -6.171 -7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.311 -4.575 -7.324 1.00 0.00 H new ATOM 1275 N GLN A 81 8.913 -3.553 -4.860 1.00 0.00 N ATOM 1276 CA GLN A 81 9.743 -2.552 -4.201 1.00 0.00 C ATOM 1277 C GLN A 81 9.996 -2.942 -2.751 1.00 0.00 C ATOM 1278 O GLN A 81 11.115 -2.834 -2.251 1.00 0.00 O ATOM 1279 CB GLN A 81 9.072 -1.179 -4.262 1.00 0.00 C ATOM 1280 CG GLN A 81 10.054 -0.018 -4.234 1.00 0.00 C ATOM 1281 CD GLN A 81 9.479 1.246 -4.843 1.00 0.00 C ATOM 1282 OE1 GLN A 81 9.226 2.228 -4.144 1.00 0.00 O ATOM 1283 NE2 GLN A 81 9.271 1.229 -6.154 1.00 0.00 N ATOM 0 H GLN A 81 8.100 -3.174 -5.345 1.00 0.00 H new ATOM 0 HA GLN A 81 10.698 -2.501 -4.723 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.474 -1.116 -5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.385 -1.082 -3.422 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.347 0.180 -3.203 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.958 -0.299 -4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.495 0.394 -6.695 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.887 2.051 -6.620 1.00 0.00 H new ATOM 1292 N LEU A 82 8.945 -3.407 -2.082 1.00 0.00 N ATOM 1293 CA LEU A 82 9.052 -3.823 -0.694 1.00 0.00 C ATOM 1294 C LEU A 82 9.761 -5.166 -0.577 1.00 0.00 C ATOM 1295 O LEU A 82 10.499 -5.398 0.378 1.00 0.00 O ATOM 1296 CB LEU A 82 7.683 -3.896 -0.043 1.00 0.00 C ATOM 1297 CG LEU A 82 7.715 -4.459 1.367 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.790 -3.688 2.285 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.363 -5.927 1.330 1.00 0.00 C ATOM 0 H LEU A 82 8.011 -3.504 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 82 9.646 -3.074 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.247 -2.897 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.029 -4.514 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 82 8.722 -4.352 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.834 -4.114 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.100 -2.644 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.769 -3.751 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.386 -6.332 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.364 -6.051 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.085 -6.459 0.710 1.00 0.00 H new ATOM 1311 N ARG A 83 9.558 -6.045 -1.555 1.00 0.00 N ATOM 1312 CA ARG A 83 10.215 -7.349 -1.539 1.00 0.00 C ATOM 1313 C ARG A 83 11.712 -7.158 -1.338 1.00 0.00 C ATOM 1314 O ARG A 83 12.388 -8.010 -0.765 1.00 0.00 O ATOM 1315 CB ARG A 83 9.947 -8.103 -2.842 1.00 0.00 C ATOM 1316 CG ARG A 83 10.031 -9.615 -2.699 1.00 0.00 C ATOM 1317 CD ARG A 83 9.285 -10.321 -3.818 1.00 0.00 C ATOM 1318 NE ARG A 83 10.106 -10.465 -5.018 1.00 0.00 N ATOM 1319 CZ ARG A 83 9.834 -11.316 -6.006 1.00 0.00 C ATOM 1320 NH1 ARG A 83 8.763 -12.098 -5.941 1.00 0.00 N ATOM 1321 NH2 ARG A 83 10.632 -11.383 -7.061 1.00 0.00 N ATOM 0 H ARG A 83 8.952 -5.882 -2.359 1.00 0.00 H new ATOM 0 HA ARG A 83 9.812 -7.940 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.956 -7.836 -3.209 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.665 -7.777 -3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.076 -9.925 -2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.615 -9.914 -1.737 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.967 -11.306 -3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.382 -9.761 -4.062 1.00 0.00 H new ATOM 0 HE ARG A 83 10.937 -9.879 -5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.144 -12.049 -5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.559 -12.748 -6.700 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.455 -10.783 -7.117 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.424 -12.035 -7.817 1.00 0.00 H new ATOM 1335 N GLU A 84 12.218 -6.014 -1.793 1.00 0.00 N ATOM 1336 CA GLU A 84 13.627 -5.692 -1.632 1.00 0.00 C ATOM 1337 C GLU A 84 13.915 -5.415 -0.161 1.00 0.00 C ATOM 1338 O GLU A 84 14.997 -5.718 0.342 1.00 0.00 O ATOM 1339 CB GLU A 84 14.003 -4.478 -2.485 1.00 0.00 C ATOM 1340 CG GLU A 84 15.490 -4.159 -2.467 1.00 0.00 C ATOM 1341 CD GLU A 84 16.246 -4.852 -3.583 1.00 0.00 C ATOM 1342 OE1 GLU A 84 16.131 -4.407 -4.744 1.00 0.00 O ATOM 1343 OE2 GLU A 84 16.956 -5.839 -3.295 1.00 0.00 O ATOM 0 H GLU A 84 11.672 -5.299 -2.274 1.00 0.00 H new ATOM 0 HA GLU A 84 14.227 -6.538 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.691 -4.656 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.449 -3.609 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.628 -3.081 -2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.911 -4.458 -1.507 1.00 0.00 H new ATOM 1350 N TYR A 85 12.921 -4.857 0.525 1.00 0.00 N ATOM 1351 CA TYR A 85 13.033 -4.560 1.943 1.00 0.00 C ATOM 1352 C TYR A 85 13.109 -5.860 2.735 1.00 0.00 C ATOM 1353 O TYR A 85 13.760 -5.934 3.777 1.00 0.00 O ATOM 1354 CB TYR A 85 11.821 -3.738 2.388 1.00 0.00 C ATOM 1355 CG TYR A 85 11.970 -3.098 3.748 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.690 -3.810 4.907 1.00 0.00 C ATOM 1357 CD2 TYR A 85 12.377 -1.776 3.872 1.00 0.00 C ATOM 1358 CE1 TYR A 85 11.815 -3.225 6.152 1.00 0.00 C ATOM 1359 CE2 TYR A 85 12.505 -1.183 5.112 1.00 0.00 C ATOM 1360 CZ TYR A 85 12.223 -1.911 6.250 1.00 0.00 C ATOM 1361 OH TYR A 85 12.349 -1.323 7.487 1.00 0.00 O ATOM 0 H TYR A 85 12.023 -4.601 0.114 1.00 0.00 H new ATOM 0 HA TYR A 85 13.940 -3.984 2.126 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.635 -2.957 1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.943 -4.383 2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 85 11.369 -4.839 4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.597 -1.202 2.984 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.595 -3.793 7.044 1.00 0.00 H new ATOM 0 HE2 TYR A 85 12.824 -0.154 5.191 1.00 0.00 H new ATOM 0 HH TYR A 85 12.647 -0.395 7.380 1.00 0.00 H new ATOM 1371 N PHE A 86 12.436 -6.887 2.216 1.00 0.00 N ATOM 1372 CA PHE A 86 12.403 -8.202 2.849 1.00 0.00 C ATOM 1373 C PHE A 86 13.438 -9.147 2.240 1.00 0.00 C ATOM 1374 O PHE A 86 14.435 -9.483 2.879 1.00 0.00 O ATOM 1375 CB PHE A 86 10.998 -8.799 2.712 1.00 0.00 C ATOM 1376 CG PHE A 86 10.046 -8.308 3.763 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.397 -8.349 5.104 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.812 -7.791 3.415 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.531 -7.885 6.074 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.943 -7.323 4.382 1.00 0.00 C ATOM 1381 CZ PHE A 86 8.303 -7.370 5.712 1.00 0.00 C ATOM 0 H PHE A 86 11.901 -6.830 1.349 1.00 0.00 H new ATOM 0 HA PHE A 86 12.651 -8.079 3.903 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.600 -8.555 1.727 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.064 -9.886 2.769 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.358 -8.748 5.393 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.524 -7.752 2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.814 -7.925 7.115 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.982 -6.921 4.096 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.625 -7.004 6.469 1.00 0.00 H new ATOM 1391 N LYS A 87 13.197 -9.570 1.005 1.00 0.00 N ATOM 1392 CA LYS A 87 14.108 -10.475 0.314 1.00 0.00 C ATOM 1393 C LYS A 87 15.431 -9.783 0.002 1.00 0.00 C ATOM 1394 O LYS A 87 16.486 -10.438 0.135 1.00 0.00 O ATOM 1395 CB LYS A 87 13.471 -10.987 -0.980 1.00 0.00 C ATOM 1396 CG LYS A 87 12.640 -12.246 -0.792 1.00 0.00 C ATOM 1397 CD LYS A 87 13.509 -13.494 -0.809 1.00 0.00 C ATOM 1398 CE LYS A 87 12.716 -14.720 -1.232 1.00 0.00 C ATOM 1399 NZ LYS A 87 11.987 -14.496 -2.510 1.00 0.00 N ATOM 1400 OXT LYS A 87 15.401 -8.591 -0.372 1.00 0.00 O ATOM 0 H LYS A 87 12.378 -9.301 0.461 1.00 0.00 H new ATOM 0 HA LYS A 87 14.306 -11.321 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.839 -10.204 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.257 -11.186 -1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.101 -12.190 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.892 -12.311 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.345 -13.347 -1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.932 -13.657 0.182 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.391 -15.568 -1.343 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.004 -14.980 -0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.910 -15.395 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.035 -14.130 -2.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.506 -13.806 -3.090 1.00 0.00 H new TER 1414 LYS A 87