USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 581 hydrogens (2 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 46 THR OG1 : rot 150:sc= -0.17 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= -0.022 USER MOD Set 2.1: A 16 SER OG : rot -130:sc= 0 USER MOD Set 2.2: A 28 MET CE :methyl -146:sc= -0.0379 (180deg=-0.756) USER MOD Single : A 1 VAL N :NH3+ 177:sc= -1.19 (180deg=-1.23) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0812 USER MOD Single : A 5 ASN :FLIP amide:sc= -6.62! C(o=-7.3!,f=-6.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0637 USER MOD Single : A 10 TYR OH : rot 15:sc= -1.64 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.181 F(o=-1.4,f=-0.18) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= -0.0468 (180deg=-0.505) USER MOD Single : A 19 HIS : no HE2:sc= -6.01! C(o=-6!,f=-12!) USER MOD Single : A 22 LYS NZ :NH3+ -147:sc= 0.301 (180deg=0.024) USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -0.0112 (180deg=-0.34) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -6.82! C(o=-6.8!,f=-14!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.6! X(o=-1.6!,f=-1.7) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -153:sc= -1.28 (180deg=-3.4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 161:sc= -0.938 (180deg=-1.24) USER MOD Single : A 55 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.683) USER MOD Single : A 57 ASN :FLIP amide:sc= -1.7 F(o=-4.8!,f=-1.7) USER MOD Single : A 68 LYS NZ :NH3+ 148:sc= -0.3 (180deg=-1.33!) USER MOD Single : A 70 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-7.1!) USER MOD Single : A 71 SER OG : rot -1:sc= 1.61 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 4.427 12.140 -11.614 1.00 0.00 N ATOM 2 CA VAL A 1 3.770 10.952 -12.246 1.00 0.00 C ATOM 3 C VAL A 1 2.555 10.542 -11.426 1.00 0.00 C ATOM 4 O VAL A 1 2.273 9.355 -11.265 1.00 0.00 O ATOM 5 CB VAL A 1 4.768 9.788 -12.348 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.965 10.220 -13.194 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.260 9.376 -10.954 1.00 0.00 C ATOM 0 H1 VAL A 1 5.285 12.387 -12.147 1.00 0.00 H new ATOM 0 H2 VAL A 1 3.770 12.946 -11.623 1.00 0.00 H new ATOM 0 H3 VAL A 1 4.683 11.914 -10.632 1.00 0.00 H new ATOM 0 HA VAL A 1 3.444 11.215 -13.252 1.00 0.00 H new ATOM 0 HB VAL A 1 4.267 8.938 -12.812 1.00 0.00 H new ATOM 0 HG11 VAL A 1 6.675 9.396 -13.268 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.624 10.496 -14.192 1.00 0.00 H new ATOM 0 HG13 VAL A 1 6.451 11.076 -12.726 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.966 8.551 -11.047 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.753 10.223 -10.477 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.411 9.061 -10.347 1.00 0.00 H new ATOM 18 N ASP A 2 1.841 11.535 -10.901 1.00 0.00 N ATOM 19 CA ASP A 2 0.655 11.275 -10.086 1.00 0.00 C ATOM 20 C ASP A 2 -0.395 12.364 -10.305 1.00 0.00 C ATOM 21 O ASP A 2 -1.045 12.812 -9.361 1.00 0.00 O ATOM 22 CB ASP A 2 1.051 11.223 -8.606 1.00 0.00 C ATOM 23 CG ASP A 2 2.418 10.558 -8.461 1.00 0.00 C ATOM 24 OD1 ASP A 2 3.368 11.071 -9.030 1.00 0.00 O ATOM 25 OD2 ASP A 2 2.492 9.546 -7.785 1.00 0.00 O ATOM 0 H ASP A 2 2.061 12.523 -11.024 1.00 0.00 H new ATOM 0 HA ASP A 2 0.227 10.317 -10.382 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.081 12.231 -8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.304 10.668 -8.039 1.00 0.00 H new ATOM 30 N MET A 3 -0.552 12.785 -11.556 1.00 0.00 N ATOM 31 CA MET A 3 -1.525 13.820 -11.886 1.00 0.00 C ATOM 32 C MET A 3 -2.945 13.299 -11.688 1.00 0.00 C ATOM 33 O MET A 3 -3.773 13.953 -11.054 1.00 0.00 O ATOM 34 CB MET A 3 -1.337 14.269 -13.340 1.00 0.00 C ATOM 35 CG MET A 3 -2.275 15.441 -13.655 1.00 0.00 C ATOM 36 SD MET A 3 -3.930 14.809 -14.027 1.00 0.00 S ATOM 37 CE MET A 3 -4.775 16.408 -14.084 1.00 0.00 C ATOM 0 H MET A 3 -0.023 12.429 -12.352 1.00 0.00 H new ATOM 0 HA MET A 3 -1.367 14.670 -11.222 1.00 0.00 H new ATOM 0 HB2 MET A 3 -0.302 14.567 -13.506 1.00 0.00 H new ATOM 0 HB3 MET A 3 -1.542 13.438 -14.015 1.00 0.00 H new ATOM 0 HG2 MET A 3 -2.318 16.124 -12.807 1.00 0.00 H new ATOM 0 HG3 MET A 3 -1.892 16.009 -14.503 1.00 0.00 H new ATOM 0 HE1 MET A 3 -5.831 16.254 -14.304 1.00 0.00 H new ATOM 0 HE2 MET A 3 -4.674 16.907 -13.120 1.00 0.00 H new ATOM 0 HE3 MET A 3 -4.329 17.028 -14.862 1.00 0.00 H new ATOM 47 N SER A 4 -3.218 12.119 -12.237 1.00 0.00 N ATOM 48 CA SER A 4 -4.542 11.519 -12.114 1.00 0.00 C ATOM 49 C SER A 4 -4.890 11.283 -10.648 1.00 0.00 C ATOM 50 O SER A 4 -5.987 10.827 -10.326 1.00 0.00 O ATOM 51 CB SER A 4 -4.584 10.191 -12.871 1.00 0.00 C ATOM 52 OG SER A 4 -3.621 9.305 -12.319 1.00 0.00 O ATOM 0 H SER A 4 -2.546 11.564 -12.767 1.00 0.00 H new ATOM 0 HA SER A 4 -5.273 12.205 -12.542 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.579 9.752 -12.804 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.379 10.356 -13.929 1.00 0.00 H new ATOM 0 HG SER A 4 -3.647 8.452 -12.801 1.00 0.00 H new ATOM 58 N ASN A 5 -3.946 11.595 -9.764 1.00 0.00 N ATOM 59 CA ASN A 5 -4.158 11.414 -8.330 1.00 0.00 C ATOM 60 C ASN A 5 -4.847 10.081 -8.047 1.00 0.00 C ATOM 61 O ASN A 5 -5.941 10.044 -7.485 1.00 0.00 O ATOM 62 CB ASN A 5 -5.007 12.561 -7.776 1.00 0.00 C ATOM 63 CG ASN A 5 -6.419 12.492 -8.348 1.00 0.00 C ATOM 64 OD1 ASN A 5 -6.663 13.007 -9.521 1.00 0.00 O flip ATOM 65 ND2 ASN A 5 -7.323 11.957 -7.707 1.00 0.00 N flip ATOM 0 H ASN A 5 -3.032 11.972 -10.013 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.185 11.414 -7.839 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.044 12.504 -6.688 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.550 13.517 -8.030 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.129 11.555 -6.790 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.266 11.915 -8.093 1.00 0.00 H new ATOM 72 N VAL A 6 -4.197 8.991 -8.440 1.00 0.00 N ATOM 73 CA VAL A 6 -4.754 7.661 -8.224 1.00 0.00 C ATOM 74 C VAL A 6 -5.021 7.426 -6.741 1.00 0.00 C ATOM 75 O VAL A 6 -4.419 8.071 -5.883 1.00 0.00 O ATOM 76 CB VAL A 6 -3.785 6.598 -8.745 1.00 0.00 C ATOM 77 CG1 VAL A 6 -3.561 6.799 -10.244 1.00 0.00 C ATOM 78 CG2 VAL A 6 -2.449 6.724 -8.008 1.00 0.00 C ATOM 0 H VAL A 6 -3.290 9.001 -8.907 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.697 7.590 -8.767 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.206 5.607 -8.572 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.870 6.041 -10.614 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.512 6.710 -10.769 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.141 7.789 -10.419 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.757 5.967 -8.378 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.030 7.715 -8.182 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.608 6.579 -6.939 1.00 0.00 H new ATOM 88 N VAL A 7 -5.931 6.499 -6.447 1.00 0.00 N ATOM 89 CA VAL A 7 -6.277 6.182 -5.062 1.00 0.00 C ATOM 90 C VAL A 7 -6.662 4.712 -4.930 1.00 0.00 C ATOM 91 O VAL A 7 -7.824 4.346 -5.108 1.00 0.00 O ATOM 92 CB VAL A 7 -7.443 7.059 -4.602 1.00 0.00 C ATOM 93 CG1 VAL A 7 -7.782 6.737 -3.146 1.00 0.00 C ATOM 94 CG2 VAL A 7 -7.049 8.533 -4.719 1.00 0.00 C ATOM 0 H VAL A 7 -6.440 5.957 -7.145 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.406 6.376 -4.436 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.313 6.863 -5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.613 7.362 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.063 5.687 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.912 6.932 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.879 9.159 -4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.179 8.728 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.808 8.764 -5.757 1.00 0.00 H new ATOM 104 N LYS A 8 -5.676 3.872 -4.619 1.00 0.00 N ATOM 105 CA LYS A 8 -5.909 2.435 -4.462 1.00 0.00 C ATOM 106 C LYS A 8 -6.045 2.082 -2.980 1.00 0.00 C ATOM 107 O LYS A 8 -5.254 2.532 -2.153 1.00 0.00 O ATOM 108 CB LYS A 8 -4.737 1.655 -5.087 1.00 0.00 C ATOM 109 CG LYS A 8 -5.186 0.240 -5.501 1.00 0.00 C ATOM 110 CD LYS A 8 -5.793 0.272 -6.911 1.00 0.00 C ATOM 111 CE LYS A 8 -6.175 -1.146 -7.339 1.00 0.00 C ATOM 112 NZ LYS A 8 -6.392 -1.178 -8.812 1.00 0.00 N ATOM 0 H LYS A 8 -4.709 4.160 -4.471 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.834 2.163 -4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.359 2.192 -5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.916 1.588 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.336 -0.441 -5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.919 -0.140 -4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.672 0.916 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.077 0.695 -7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.387 -1.846 -7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.080 -1.463 -6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.652 -2.142 -9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.158 -0.522 -9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.518 -0.893 -9.298 1.00 0.00 H new ATOM 126 N THR A 9 -7.058 1.281 -2.653 1.00 0.00 N ATOM 127 CA THR A 9 -7.293 0.881 -1.266 1.00 0.00 C ATOM 128 C THR A 9 -7.865 -0.532 -1.198 1.00 0.00 C ATOM 129 O THR A 9 -8.603 -0.958 -2.085 1.00 0.00 O ATOM 130 CB THR A 9 -8.270 1.857 -0.604 1.00 0.00 C ATOM 131 OG1 THR A 9 -7.811 3.187 -0.798 1.00 0.00 O ATOM 132 CG2 THR A 9 -8.355 1.558 0.894 1.00 0.00 C ATOM 0 H THR A 9 -7.725 0.899 -3.324 1.00 0.00 H new ATOM 0 HA THR A 9 -6.339 0.898 -0.738 1.00 0.00 H new ATOM 0 HB THR A 9 -9.257 1.744 -1.051 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.436 3.813 -0.376 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.050 2.253 1.365 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.706 0.537 1.042 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.369 1.671 1.344 1.00 0.00 H new ATOM 140 N TYR A 10 -7.514 -1.253 -0.134 1.00 0.00 N ATOM 141 CA TYR A 10 -7.991 -2.623 0.061 1.00 0.00 C ATOM 142 C TYR A 10 -8.319 -2.859 1.533 1.00 0.00 C ATOM 143 O TYR A 10 -7.429 -3.124 2.343 1.00 0.00 O ATOM 144 CB TYR A 10 -6.915 -3.612 -0.390 1.00 0.00 C ATOM 145 CG TYR A 10 -6.816 -3.604 -1.899 1.00 0.00 C ATOM 146 CD1 TYR A 10 -7.880 -4.085 -2.667 1.00 0.00 C ATOM 147 CD2 TYR A 10 -5.661 -3.118 -2.529 1.00 0.00 C ATOM 148 CE1 TYR A 10 -7.795 -4.082 -4.063 1.00 0.00 C ATOM 149 CE2 TYR A 10 -5.576 -3.116 -3.927 1.00 0.00 C ATOM 150 CZ TYR A 10 -6.644 -3.598 -4.694 1.00 0.00 C ATOM 151 OH TYR A 10 -6.560 -3.600 -6.071 1.00 0.00 O ATOM 0 H TYR A 10 -6.901 -0.912 0.607 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.893 -2.772 -0.533 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.954 -3.344 0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.158 -4.614 -0.037 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.769 -4.460 -2.182 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.838 -2.746 -1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.619 -4.454 -4.654 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.687 -2.743 -4.413 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.452 -3.740 -6.453 1.00 0.00 H new ATOM 161 N ASP A 11 -9.599 -2.749 1.875 1.00 0.00 N ATOM 162 CA ASP A 11 -10.035 -2.940 3.254 1.00 0.00 C ATOM 163 C ASP A 11 -9.661 -4.328 3.764 1.00 0.00 C ATOM 164 O ASP A 11 -10.388 -5.294 3.548 1.00 0.00 O ATOM 165 CB ASP A 11 -11.547 -2.756 3.349 1.00 0.00 C ATOM 166 CG ASP A 11 -11.912 -1.295 3.108 1.00 0.00 C ATOM 167 OD1 ASP A 11 -12.060 -0.925 1.956 1.00 0.00 O ATOM 168 OD2 ASP A 11 -12.040 -0.569 4.080 1.00 0.00 O ATOM 0 H ASP A 11 -10.349 -2.530 1.220 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.531 -2.197 3.873 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.045 -3.389 2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.899 -3.070 4.332 1.00 0.00 H new ATOM 173 N LEU A 12 -8.525 -4.411 4.450 1.00 0.00 N ATOM 174 CA LEU A 12 -8.052 -5.679 5.001 1.00 0.00 C ATOM 175 C LEU A 12 -8.906 -6.079 6.206 1.00 0.00 C ATOM 176 O LEU A 12 -9.594 -5.246 6.800 1.00 0.00 O ATOM 177 CB LEU A 12 -6.563 -5.526 5.413 1.00 0.00 C ATOM 178 CG LEU A 12 -5.615 -6.370 4.522 1.00 0.00 C ATOM 179 CD1 LEU A 12 -5.926 -6.186 3.024 1.00 0.00 C ATOM 180 CD2 LEU A 12 -4.167 -5.936 4.799 1.00 0.00 C ATOM 0 H LEU A 12 -7.914 -3.616 4.638 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.138 -6.463 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.277 -4.476 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.444 -5.827 6.454 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.759 -7.423 4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.241 -6.793 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.951 -6.497 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.806 -5.137 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.487 -6.521 4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.053 -4.878 4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.933 -6.101 5.851 1.00 0.00 H new ATOM 192 N GLN A 13 -8.853 -7.359 6.560 1.00 0.00 N ATOM 193 CA GLN A 13 -9.619 -7.863 7.693 1.00 0.00 C ATOM 194 C GLN A 13 -8.923 -7.515 9.004 1.00 0.00 C ATOM 195 O GLN A 13 -9.524 -7.580 10.075 1.00 0.00 O ATOM 196 CB GLN A 13 -9.779 -9.379 7.584 1.00 0.00 C ATOM 197 CG GLN A 13 -8.400 -10.042 7.617 1.00 0.00 C ATOM 198 CD GLN A 13 -8.530 -11.532 7.317 1.00 0.00 C ATOM 199 OE1 GLN A 13 -9.334 -11.929 6.370 1.00 0.00 O flip ATOM 200 NE2 GLN A 13 -7.881 -12.355 7.964 1.00 0.00 N flip ATOM 0 H GLN A 13 -8.291 -8.063 6.081 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.603 -7.394 7.680 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.392 -9.750 8.405 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.295 -9.635 6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.744 -9.571 6.885 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.942 -9.898 8.595 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.253 -12.041 8.704 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.972 -13.350 7.760 1.00 0.00 H new ATOM 209 N ASP A 14 -7.648 -7.143 8.910 1.00 0.00 N ATOM 210 CA ASP A 14 -6.875 -6.785 10.094 1.00 0.00 C ATOM 211 C ASP A 14 -7.135 -5.334 10.484 1.00 0.00 C ATOM 212 O ASP A 14 -6.412 -4.760 11.298 1.00 0.00 O ATOM 213 CB ASP A 14 -5.381 -6.981 9.822 1.00 0.00 C ATOM 214 CG ASP A 14 -5.090 -8.453 9.555 1.00 0.00 C ATOM 215 OD1 ASP A 14 -4.885 -9.180 10.513 1.00 0.00 O ATOM 216 OD2 ASP A 14 -5.075 -8.834 8.396 1.00 0.00 O ATOM 0 H ASP A 14 -7.132 -7.082 8.032 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.183 -7.432 10.915 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.077 -6.380 8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.799 -6.636 10.676 1.00 0.00 H new ATOM 221 N GLY A 15 -8.171 -4.747 9.892 1.00 0.00 N ATOM 222 CA GLY A 15 -8.517 -3.361 10.183 1.00 0.00 C ATOM 223 C GLY A 15 -7.621 -2.408 9.402 1.00 0.00 C ATOM 224 O GLY A 15 -7.894 -1.209 9.320 1.00 0.00 O ATOM 0 H GLY A 15 -8.780 -5.205 9.214 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.561 -3.180 9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.414 -3.172 11.251 1.00 0.00 H new ATOM 228 N SER A 16 -6.551 -2.949 8.827 1.00 0.00 N ATOM 229 CA SER A 16 -5.615 -2.141 8.049 1.00 0.00 C ATOM 230 C SER A 16 -6.109 -1.994 6.615 1.00 0.00 C ATOM 231 O SER A 16 -7.163 -2.517 6.254 1.00 0.00 O ATOM 232 CB SER A 16 -4.236 -2.797 8.051 1.00 0.00 C ATOM 233 OG SER A 16 -4.284 -3.996 7.291 1.00 0.00 O ATOM 0 H SER A 16 -6.310 -3.939 8.884 1.00 0.00 H new ATOM 0 HA SER A 16 -5.546 -1.153 8.503 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.496 -2.116 7.630 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.925 -3.013 9.073 1.00 0.00 H new ATOM 0 HG SER A 16 -3.891 -4.728 7.810 1.00 0.00 H new ATOM 239 N LYS A 17 -5.336 -1.281 5.798 1.00 0.00 N ATOM 240 CA LYS A 17 -5.695 -1.068 4.396 1.00 0.00 C ATOM 241 C LYS A 17 -4.442 -0.945 3.544 1.00 0.00 C ATOM 242 O LYS A 17 -3.557 -0.140 3.835 1.00 0.00 O ATOM 243 CB LYS A 17 -6.526 0.210 4.247 1.00 0.00 C ATOM 244 CG LYS A 17 -7.688 0.187 5.238 1.00 0.00 C ATOM 245 CD LYS A 17 -8.628 1.360 4.950 1.00 0.00 C ATOM 246 CE LYS A 17 -9.885 1.231 5.811 1.00 0.00 C ATOM 247 NZ LYS A 17 -9.496 1.156 7.249 1.00 0.00 N ATOM 0 H LYS A 17 -4.460 -0.842 6.081 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.281 -1.924 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.901 1.085 4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.906 0.292 3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.230 -0.755 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.311 0.252 6.259 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.125 2.303 5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.898 1.373 3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.542 2.085 5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.443 0.339 5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.321 1.373 7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.155 0.198 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.740 1.844 7.441 1.00 0.00 H new ATOM 261 N VAL A 18 -4.373 -1.740 2.480 1.00 0.00 N ATOM 262 CA VAL A 18 -3.220 -1.697 1.583 1.00 0.00 C ATOM 263 C VAL A 18 -3.408 -0.568 0.567 1.00 0.00 C ATOM 264 O VAL A 18 -4.534 -0.197 0.242 1.00 0.00 O ATOM 265 CB VAL A 18 -3.035 -3.047 0.843 1.00 0.00 C ATOM 266 CG1 VAL A 18 -1.548 -3.326 0.603 1.00 0.00 C ATOM 267 CG2 VAL A 18 -3.625 -4.194 1.664 1.00 0.00 C ATOM 0 H VAL A 18 -5.092 -2.415 2.219 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.325 -1.514 2.178 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.554 -2.978 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.436 -4.277 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.121 -2.528 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.027 -3.372 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.486 -5.133 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.121 -4.248 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.690 -4.020 1.820 1.00 0.00 H new ATOM 277 N HIS A 19 -2.300 -0.026 0.078 1.00 0.00 N ATOM 278 CA HIS A 19 -2.339 1.069 -0.899 1.00 0.00 C ATOM 279 C HIS A 19 -1.211 0.883 -1.908 1.00 0.00 C ATOM 280 O HIS A 19 -0.036 0.891 -1.541 1.00 0.00 O ATOM 281 CB HIS A 19 -2.190 2.423 -0.171 1.00 0.00 C ATOM 282 CG HIS A 19 -1.458 2.206 1.125 1.00 0.00 C ATOM 283 ND1 HIS A 19 -2.005 1.453 2.152 1.00 0.00 N ATOM 284 CD2 HIS A 19 -0.221 2.599 1.565 1.00 0.00 C ATOM 285 CE1 HIS A 19 -1.106 1.411 3.147 1.00 0.00 C ATOM 286 NE2 HIS A 19 0.001 2.094 2.843 1.00 0.00 N ATOM 0 H HIS A 19 -1.360 -0.323 0.339 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.294 1.059 -1.425 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.645 3.129 -0.797 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.171 2.858 0.019 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -2.924 1.011 2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.475 3.207 1.006 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.259 0.889 4.080 1.00 0.00 H new ATOM 295 N VAL A 20 -1.567 0.695 -3.179 1.00 0.00 N ATOM 296 CA VAL A 20 -0.558 0.487 -4.216 1.00 0.00 C ATOM 297 C VAL A 20 -0.128 1.820 -4.832 1.00 0.00 C ATOM 298 O VAL A 20 -0.864 2.804 -4.792 1.00 0.00 O ATOM 299 CB VAL A 20 -1.060 -0.489 -5.322 1.00 0.00 C ATOM 300 CG1 VAL A 20 -2.020 -1.546 -4.740 1.00 0.00 C ATOM 301 CG2 VAL A 20 -1.769 0.283 -6.447 1.00 0.00 C ATOM 0 H VAL A 20 -2.531 0.682 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 20 0.308 0.029 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.186 -0.997 -5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.353 -2.212 -5.536 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.503 -2.125 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.883 -1.049 -4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.112 -0.417 -7.209 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.624 0.820 -6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.074 0.994 -6.894 1.00 0.00 H new ATOM 311 N PHE A 21 1.075 1.830 -5.408 1.00 0.00 N ATOM 312 CA PHE A 21 1.615 3.031 -6.043 1.00 0.00 C ATOM 313 C PHE A 21 1.365 2.987 -7.549 1.00 0.00 C ATOM 314 O PHE A 21 0.535 2.212 -8.025 1.00 0.00 O ATOM 315 CB PHE A 21 3.117 3.125 -5.772 1.00 0.00 C ATOM 316 CG PHE A 21 3.347 3.375 -4.301 1.00 0.00 C ATOM 317 CD1 PHE A 21 3.393 4.687 -3.812 1.00 0.00 C ATOM 318 CD2 PHE A 21 3.514 2.295 -3.425 1.00 0.00 C ATOM 319 CE1 PHE A 21 3.607 4.918 -2.448 1.00 0.00 C ATOM 320 CE2 PHE A 21 3.727 2.527 -2.061 1.00 0.00 C ATOM 321 CZ PHE A 21 3.773 3.839 -1.572 1.00 0.00 C ATOM 0 H PHE A 21 1.693 1.020 -5.447 1.00 0.00 H new ATOM 0 HA PHE A 21 1.116 3.907 -5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.611 2.202 -6.077 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.554 3.931 -6.362 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.263 5.520 -4.487 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.478 1.283 -3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.644 5.930 -2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.856 1.694 -1.385 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.936 4.018 -0.520 1.00 0.00 H new ATOM 331 N LYS A 22 2.081 3.820 -8.296 1.00 0.00 N ATOM 332 CA LYS A 22 1.919 3.860 -9.746 1.00 0.00 C ATOM 333 C LYS A 22 2.632 2.679 -10.405 1.00 0.00 C ATOM 334 O LYS A 22 2.270 2.263 -11.505 1.00 0.00 O ATOM 335 CB LYS A 22 2.469 5.183 -10.307 1.00 0.00 C ATOM 336 CG LYS A 22 3.798 5.559 -9.608 1.00 0.00 C ATOM 337 CD LYS A 22 3.537 6.532 -8.448 1.00 0.00 C ATOM 338 CE LYS A 22 4.773 6.603 -7.550 1.00 0.00 C ATOM 339 NZ LYS A 22 4.542 7.592 -6.459 1.00 0.00 N ATOM 0 H LYS A 22 2.773 4.472 -7.927 1.00 0.00 H new ATOM 0 HA LYS A 22 0.855 3.792 -9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.630 5.090 -11.381 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.738 5.978 -10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.286 4.659 -9.233 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.478 6.015 -10.327 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.300 7.522 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.674 6.202 -7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.984 5.621 -7.126 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.645 6.891 -8.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.440 8.056 -6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.859 8.308 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.166 7.103 -5.622 1.00 0.00 H new ATOM 353 N ASP A 23 3.649 2.146 -9.731 1.00 0.00 N ATOM 354 CA ASP A 23 4.404 1.017 -10.274 1.00 0.00 C ATOM 355 C ASP A 23 3.669 -0.302 -10.026 1.00 0.00 C ATOM 356 O ASP A 23 4.194 -1.377 -10.320 1.00 0.00 O ATOM 357 CB ASP A 23 5.809 0.968 -9.653 1.00 0.00 C ATOM 358 CG ASP A 23 5.747 1.293 -8.164 1.00 0.00 C ATOM 359 OD1 ASP A 23 5.148 2.298 -7.820 1.00 0.00 O ATOM 360 OD2 ASP A 23 6.310 0.537 -7.392 1.00 0.00 O ATOM 0 H ASP A 23 3.967 2.472 -8.819 1.00 0.00 H new ATOM 0 HA ASP A 23 4.499 1.157 -11.351 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.242 -0.022 -9.797 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.462 1.679 -10.159 1.00 0.00 H new ATOM 365 N GLY A 24 2.448 -0.212 -9.505 1.00 0.00 N ATOM 366 CA GLY A 24 1.644 -1.407 -9.247 1.00 0.00 C ATOM 367 C GLY A 24 2.013 -2.069 -7.922 1.00 0.00 C ATOM 368 O GLY A 24 1.275 -2.917 -7.421 1.00 0.00 O ATOM 0 H GLY A 24 1.995 0.667 -9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.588 -1.138 -9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.783 -2.120 -10.060 1.00 0.00 H new ATOM 372 N LYS A 25 3.151 -1.685 -7.355 1.00 0.00 N ATOM 373 CA LYS A 25 3.587 -2.262 -6.087 1.00 0.00 C ATOM 374 C LYS A 25 2.599 -1.902 -4.980 1.00 0.00 C ATOM 375 O LYS A 25 2.022 -0.820 -4.988 1.00 0.00 O ATOM 376 CB LYS A 25 4.978 -1.715 -5.737 1.00 0.00 C ATOM 377 CG LYS A 25 6.046 -2.346 -6.652 1.00 0.00 C ATOM 378 CD LYS A 25 6.560 -3.660 -6.049 1.00 0.00 C ATOM 379 CE LYS A 25 7.324 -4.449 -7.114 1.00 0.00 C ATOM 380 NZ LYS A 25 8.433 -3.610 -7.654 1.00 0.00 N ATOM 0 H LYS A 25 3.782 -0.986 -7.746 1.00 0.00 H new ATOM 0 HA LYS A 25 3.631 -3.347 -6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.989 -0.631 -5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.209 -1.931 -4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.624 -2.533 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.875 -1.651 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.211 -3.452 -5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.725 -4.251 -5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.724 -5.367 -6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.650 -4.741 -7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.126 -4.218 -8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.049 -2.920 -8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.899 -3.106 -6.873 1.00 0.00 H new ATOM 394 N MET A 26 2.418 -2.823 -4.038 1.00 0.00 N ATOM 395 CA MET A 26 1.498 -2.620 -2.918 1.00 0.00 C ATOM 396 C MET A 26 2.156 -1.784 -1.818 1.00 0.00 C ATOM 397 O MET A 26 3.312 -1.375 -1.935 1.00 0.00 O ATOM 398 CB MET A 26 1.061 -3.988 -2.345 1.00 0.00 C ATOM 399 CG MET A 26 -0.277 -4.406 -2.959 1.00 0.00 C ATOM 400 SD MET A 26 -0.616 -6.140 -2.560 1.00 0.00 S ATOM 401 CE MET A 26 -1.079 -6.688 -4.223 1.00 0.00 C ATOM 0 H MET A 26 2.898 -3.723 -4.026 1.00 0.00 H new ATOM 0 HA MET A 26 0.623 -2.082 -3.283 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.820 -4.741 -2.558 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.970 -3.926 -1.261 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.077 -3.772 -2.578 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.250 -4.270 -4.040 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.330 -7.748 -4.200 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.942 -6.118 -4.567 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.244 -6.528 -4.905 1.00 0.00 H new ATOM 411 N GLY A 27 1.402 -1.545 -0.747 1.00 0.00 N ATOM 412 CA GLY A 27 1.902 -0.768 0.385 1.00 0.00 C ATOM 413 C GLY A 27 1.169 -1.163 1.662 1.00 0.00 C ATOM 414 O GLY A 27 -0.054 -1.261 1.677 1.00 0.00 O ATOM 0 H GLY A 27 0.444 -1.878 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.972 -0.935 0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.765 0.296 0.193 1.00 0.00 H new ATOM 418 N MET A 28 1.926 -1.406 2.732 1.00 0.00 N ATOM 419 CA MET A 28 1.343 -1.813 4.010 1.00 0.00 C ATOM 420 C MET A 28 1.525 -0.728 5.069 1.00 0.00 C ATOM 421 O MET A 28 2.642 -0.460 5.511 1.00 0.00 O ATOM 422 CB MET A 28 2.032 -3.097 4.477 1.00 0.00 C ATOM 423 CG MET A 28 1.247 -3.731 5.624 1.00 0.00 C ATOM 424 SD MET A 28 -0.202 -4.626 4.984 1.00 0.00 S ATOM 425 CE MET A 28 -1.311 -4.295 6.377 1.00 0.00 C ATOM 0 H MET A 28 2.943 -1.328 2.739 1.00 0.00 H new ATOM 0 HA MET A 28 0.274 -1.978 3.872 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.108 -3.800 3.647 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.049 -2.875 4.802 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.889 -4.416 6.178 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.926 -2.959 6.323 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.969 -5.151 6.530 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.722 -4.125 7.278 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.910 -3.410 6.163 1.00 0.00 H new ATOM 435 N GLU A 29 0.415 -0.118 5.486 1.00 0.00 N ATOM 436 CA GLU A 29 0.451 0.928 6.510 1.00 0.00 C ATOM 437 C GLU A 29 -0.798 0.850 7.378 1.00 0.00 C ATOM 438 O GLU A 29 -1.903 1.146 6.923 1.00 0.00 O ATOM 439 CB GLU A 29 0.545 2.313 5.862 1.00 0.00 C ATOM 440 CG GLU A 29 0.894 3.356 6.929 1.00 0.00 C ATOM 441 CD GLU A 29 0.619 4.758 6.394 1.00 0.00 C ATOM 442 OE1 GLU A 29 -0.414 4.941 5.773 1.00 0.00 O ATOM 443 OE2 GLU A 29 1.448 5.626 6.615 1.00 0.00 O ATOM 0 H GLU A 29 -0.518 -0.329 5.132 1.00 0.00 H new ATOM 0 HA GLU A 29 1.333 0.772 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.305 2.309 5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.402 2.568 5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.306 3.179 7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.943 3.264 7.211 1.00 0.00 H new ATOM 450 N ASN A 30 -0.614 0.439 8.628 1.00 0.00 N ATOM 451 CA ASN A 30 -1.731 0.311 9.554 1.00 0.00 C ATOM 452 C ASN A 30 -2.455 1.646 9.722 1.00 0.00 C ATOM 453 O ASN A 30 -2.013 2.673 9.208 1.00 0.00 O ATOM 454 CB ASN A 30 -1.222 -0.187 10.911 1.00 0.00 C ATOM 455 CG ASN A 30 -0.441 0.913 11.622 1.00 0.00 C ATOM 456 OD1 ASN A 30 -0.222 1.985 11.060 1.00 0.00 O ATOM 457 ND2 ASN A 30 -0.005 0.708 12.834 1.00 0.00 N ATOM 0 H ASN A 30 0.294 0.190 9.021 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.439 -0.410 9.146 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.063 -0.502 11.529 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.586 -1.060 10.770 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.519 1.437 13.318 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.188 -0.182 13.298 1.00 0.00 H new ATOM 464 N LYS A 31 -3.575 1.617 10.440 1.00 0.00 N ATOM 465 CA LYS A 31 -4.365 2.825 10.665 1.00 0.00 C ATOM 466 C LYS A 31 -3.783 3.651 11.808 1.00 0.00 C ATOM 467 O LYS A 31 -4.223 4.774 12.057 1.00 0.00 O ATOM 468 CB LYS A 31 -5.814 2.442 10.995 1.00 0.00 C ATOM 469 CG LYS A 31 -5.865 1.530 12.250 1.00 0.00 C ATOM 470 CD LYS A 31 -6.212 2.347 13.504 1.00 0.00 C ATOM 471 CE LYS A 31 -6.411 1.399 14.687 1.00 0.00 C ATOM 472 NZ LYS A 31 -6.709 2.189 15.915 1.00 0.00 N ATOM 0 H LYS A 31 -3.955 0.775 10.874 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.340 3.426 9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.403 3.342 11.169 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.262 1.927 10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.607 0.745 12.105 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.902 1.037 12.386 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.414 3.056 13.722 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.118 2.929 13.334 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.228 0.708 14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.515 0.797 14.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.844 1.543 16.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.916 2.831 16.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.575 2.745 15.768 1.00 0.00 H new ATOM 486 N PHE A 32 -2.801 3.089 12.505 1.00 0.00 N ATOM 487 CA PHE A 32 -2.179 3.788 13.626 1.00 0.00 C ATOM 488 C PHE A 32 -1.150 4.801 13.120 1.00 0.00 C ATOM 489 O PHE A 32 -0.446 5.431 13.908 1.00 0.00 O ATOM 490 CB PHE A 32 -1.507 2.767 14.565 1.00 0.00 C ATOM 491 CG PHE A 32 -1.518 3.279 15.989 1.00 0.00 C ATOM 492 CD1 PHE A 32 -2.633 3.049 16.802 1.00 0.00 C ATOM 493 CD2 PHE A 32 -0.415 3.978 16.493 1.00 0.00 C ATOM 494 CE1 PHE A 32 -2.648 3.520 18.120 1.00 0.00 C ATOM 495 CE2 PHE A 32 -0.430 4.450 17.811 1.00 0.00 C ATOM 496 CZ PHE A 32 -1.546 4.221 18.624 1.00 0.00 C ATOM 0 H PHE A 32 -2.421 2.161 12.317 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.949 4.328 14.178 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.030 1.812 14.510 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.481 2.587 14.244 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.483 2.508 16.413 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.447 4.153 15.866 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.509 3.343 18.748 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.420 4.991 18.200 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.557 4.585 19.641 1.00 0.00 H new ATOM 506 N GLY A 33 -1.075 4.949 11.802 1.00 0.00 N ATOM 507 CA GLY A 33 -0.135 5.889 11.199 1.00 0.00 C ATOM 508 C GLY A 33 1.285 5.335 11.223 1.00 0.00 C ATOM 509 O GLY A 33 2.229 6.007 10.805 1.00 0.00 O ATOM 0 H GLY A 33 -1.649 4.435 11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.431 6.095 10.170 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.168 6.837 11.736 1.00 0.00 H new ATOM 513 N LYS A 34 1.433 4.105 11.713 1.00 0.00 N ATOM 514 CA LYS A 34 2.748 3.461 11.787 1.00 0.00 C ATOM 515 C LYS A 34 2.880 2.400 10.698 1.00 0.00 C ATOM 516 O LYS A 34 2.082 1.465 10.629 1.00 0.00 O ATOM 517 CB LYS A 34 2.933 2.799 13.159 1.00 0.00 C ATOM 518 CG LYS A 34 2.736 3.834 14.278 1.00 0.00 C ATOM 519 CD LYS A 34 3.998 4.689 14.443 1.00 0.00 C ATOM 520 CE LYS A 34 3.868 5.547 15.703 1.00 0.00 C ATOM 521 NZ LYS A 34 5.102 6.366 15.877 1.00 0.00 N ATOM 0 H LYS A 34 0.664 3.535 12.064 1.00 0.00 H new ATOM 0 HA LYS A 34 3.513 4.224 11.643 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.219 1.984 13.277 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.929 2.362 13.229 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.884 4.473 14.045 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.508 3.327 15.215 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.878 4.049 14.514 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.137 5.325 13.569 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.996 6.196 15.625 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.715 4.911 16.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.014 6.949 16.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.926 5.738 15.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.229 6.983 15.050 1.00 0.00 H new ATOM 535 N SER A 35 3.892 2.553 9.852 1.00 0.00 N ATOM 536 CA SER A 35 4.121 1.602 8.770 1.00 0.00 C ATOM 537 C SER A 35 4.357 0.204 9.329 1.00 0.00 C ATOM 538 O SER A 35 5.130 0.027 10.270 1.00 0.00 O ATOM 539 CB SER A 35 5.331 2.034 7.943 1.00 0.00 C ATOM 540 OG SER A 35 6.520 1.741 8.667 1.00 0.00 O ATOM 0 H SER A 35 4.563 3.320 9.893 1.00 0.00 H new ATOM 0 HA SER A 35 3.236 1.583 8.134 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.337 1.514 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.276 3.101 7.726 1.00 0.00 H new ATOM 0 HG SER A 35 7.300 2.015 8.140 1.00 0.00 H new ATOM 546 N MET A 36 3.695 -0.794 8.737 1.00 0.00 N ATOM 547 CA MET A 36 3.849 -2.183 9.181 1.00 0.00 C ATOM 548 C MET A 36 4.631 -2.965 8.132 1.00 0.00 C ATOM 549 O MET A 36 4.151 -3.185 7.019 1.00 0.00 O ATOM 550 CB MET A 36 2.464 -2.822 9.401 1.00 0.00 C ATOM 551 CG MET A 36 1.962 -2.515 10.818 1.00 0.00 C ATOM 552 SD MET A 36 2.963 -3.424 12.023 1.00 0.00 S ATOM 553 CE MET A 36 1.945 -4.918 12.087 1.00 0.00 C ATOM 0 H MET A 36 3.052 -0.668 7.955 1.00 0.00 H new ATOM 0 HA MET A 36 4.395 -2.205 10.124 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.757 -2.439 8.665 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.525 -3.900 9.254 1.00 0.00 H new ATOM 0 HG2 MET A 36 2.023 -1.444 11.013 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.914 -2.798 10.913 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.387 -5.630 12.784 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.940 -4.659 12.420 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.894 -5.366 11.095 1.00 0.00 H new ATOM 563 N ASN A 37 5.843 -3.375 8.490 1.00 0.00 N ATOM 564 CA ASN A 37 6.686 -4.120 7.568 1.00 0.00 C ATOM 565 C ASN A 37 6.179 -5.544 7.398 1.00 0.00 C ATOM 566 O ASN A 37 6.634 -6.461 8.082 1.00 0.00 O ATOM 567 CB ASN A 37 8.128 -4.153 8.078 1.00 0.00 C ATOM 568 CG ASN A 37 9.019 -4.864 7.063 1.00 0.00 C ATOM 569 OD1 ASN A 37 9.995 -4.288 6.583 1.00 0.00 O ATOM 570 ND2 ASN A 37 8.738 -6.089 6.708 1.00 0.00 N ATOM 0 H ASN A 37 6.260 -3.205 9.405 1.00 0.00 H new ATOM 0 HA ASN A 37 6.652 -3.617 6.602 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.488 -3.138 8.244 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.172 -4.667 9.038 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.328 -6.572 6.031 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.928 -6.563 7.108 1.00 0.00 H new ATOM 577 N MET A 38 5.248 -5.730 6.469 1.00 0.00 N ATOM 578 CA MET A 38 4.705 -7.056 6.202 1.00 0.00 C ATOM 579 C MET A 38 5.602 -7.766 5.174 1.00 0.00 C ATOM 580 O MET A 38 5.819 -7.233 4.086 1.00 0.00 O ATOM 581 CB MET A 38 3.277 -6.934 5.657 1.00 0.00 C ATOM 582 CG MET A 38 2.766 -8.315 5.255 1.00 0.00 C ATOM 583 SD MET A 38 0.992 -8.259 4.876 1.00 0.00 S ATOM 584 CE MET A 38 0.349 -8.440 6.556 1.00 0.00 C ATOM 0 H MET A 38 4.856 -4.986 5.892 1.00 0.00 H new ATOM 0 HA MET A 38 4.678 -7.635 7.125 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.624 -6.499 6.413 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.260 -6.264 4.797 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.317 -8.673 4.386 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.948 -9.024 6.062 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.741 -8.429 6.532 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.693 -9.385 6.977 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.707 -7.616 7.173 1.00 0.00 H new ATOM 594 N PRO A 39 6.143 -8.932 5.475 1.00 0.00 N ATOM 595 CA PRO A 39 7.036 -9.653 4.521 1.00 0.00 C ATOM 596 C PRO A 39 6.255 -10.276 3.367 1.00 0.00 C ATOM 597 O PRO A 39 5.205 -10.887 3.570 1.00 0.00 O ATOM 598 CB PRO A 39 7.707 -10.724 5.392 1.00 0.00 C ATOM 599 CG PRO A 39 6.716 -11.009 6.474 1.00 0.00 C ATOM 600 CD PRO A 39 5.970 -9.693 6.729 1.00 0.00 C ATOM 0 HA PRO A 39 7.754 -8.988 4.040 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.931 -11.621 4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.651 -10.366 5.804 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.025 -11.796 6.171 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.216 -11.355 7.379 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.916 -9.868 6.947 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.387 -9.157 7.581 1.00 0.00 H new ATOM 608 N GLU A 40 6.775 -10.111 2.155 1.00 0.00 N ATOM 609 CA GLU A 40 6.122 -10.655 0.975 1.00 0.00 C ATOM 610 C GLU A 40 5.706 -12.100 1.210 1.00 0.00 C ATOM 611 O GLU A 40 6.519 -12.935 1.611 1.00 0.00 O ATOM 612 CB GLU A 40 7.067 -10.575 -0.226 1.00 0.00 C ATOM 613 CG GLU A 40 6.330 -10.995 -1.504 1.00 0.00 C ATOM 614 CD GLU A 40 6.229 -12.516 -1.581 1.00 0.00 C ATOM 615 OE1 GLU A 40 7.266 -13.159 -1.596 1.00 0.00 O ATOM 616 OE2 GLU A 40 5.117 -13.014 -1.622 1.00 0.00 O ATOM 0 H GLU A 40 7.642 -9.607 1.967 1.00 0.00 H new ATOM 0 HA GLU A 40 5.228 -10.066 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.447 -9.559 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.929 -11.222 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.332 -10.556 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.858 -10.614 -2.378 1.00 0.00 H new ATOM 623 N GLY A 41 4.430 -12.393 0.954 1.00 0.00 N ATOM 624 CA GLY A 41 3.898 -13.744 1.133 1.00 0.00 C ATOM 625 C GLY A 41 2.778 -13.762 2.167 1.00 0.00 C ATOM 626 O GLY A 41 1.963 -14.684 2.190 1.00 0.00 O ATOM 0 H GLY A 41 3.746 -11.713 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.524 -14.120 0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.698 -14.414 1.448 1.00 0.00 H new ATOM 630 N LYS A 42 2.733 -12.742 3.020 1.00 0.00 N ATOM 631 CA LYS A 42 1.695 -12.672 4.041 1.00 0.00 C ATOM 632 C LYS A 42 0.351 -12.370 3.386 1.00 0.00 C ATOM 633 O LYS A 42 -0.169 -11.257 3.472 1.00 0.00 O ATOM 634 CB LYS A 42 2.052 -11.603 5.096 1.00 0.00 C ATOM 635 CG LYS A 42 2.723 -12.256 6.322 1.00 0.00 C ATOM 636 CD LYS A 42 1.654 -12.760 7.299 1.00 0.00 C ATOM 637 CE LYS A 42 2.271 -13.778 8.262 1.00 0.00 C ATOM 638 NZ LYS A 42 1.212 -14.311 9.164 1.00 0.00 N ATOM 0 H LYS A 42 3.393 -11.964 3.025 1.00 0.00 H new ATOM 0 HA LYS A 42 1.624 -13.633 4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.722 -10.862 4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.151 -11.074 5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.355 -13.085 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.371 -11.534 6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.236 -11.923 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.832 -13.218 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.731 -14.592 7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.061 -13.308 8.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.630 -15.003 9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.793 -13.529 9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.473 -14.774 8.597 1.00 0.00 H new ATOM 652 N VAL A 43 -0.190 -13.387 2.733 1.00 0.00 N ATOM 653 CA VAL A 43 -1.472 -13.278 2.045 1.00 0.00 C ATOM 654 C VAL A 43 -2.445 -12.390 2.811 1.00 0.00 C ATOM 655 O VAL A 43 -2.798 -12.681 3.954 1.00 0.00 O ATOM 656 CB VAL A 43 -2.087 -14.671 1.890 1.00 0.00 C ATOM 657 CG1 VAL A 43 -3.243 -14.620 0.888 1.00 0.00 C ATOM 658 CG2 VAL A 43 -1.018 -15.649 1.394 1.00 0.00 C ATOM 0 H VAL A 43 0.243 -14.308 2.664 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.291 -12.828 1.069 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.466 -15.006 2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.677 -15.614 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.005 -13.928 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.872 -14.281 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.456 -16.641 1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.635 -15.312 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.201 -15.691 2.114 1.00 0.00 H new ATOM 668 N MET A 44 -2.905 -11.322 2.162 1.00 0.00 N ATOM 669 CA MET A 44 -3.869 -10.413 2.772 1.00 0.00 C ATOM 670 C MET A 44 -5.239 -10.676 2.154 1.00 0.00 C ATOM 671 O MET A 44 -5.338 -10.936 0.956 1.00 0.00 O ATOM 672 CB MET A 44 -3.464 -8.957 2.519 1.00 0.00 C ATOM 673 CG MET A 44 -2.010 -8.717 2.935 1.00 0.00 C ATOM 674 SD MET A 44 -1.499 -7.043 2.429 1.00 0.00 S ATOM 675 CE MET A 44 -1.557 -7.287 0.640 1.00 0.00 C ATOM 0 H MET A 44 -2.625 -11.066 1.215 1.00 0.00 H new ATOM 0 HA MET A 44 -3.899 -10.581 3.848 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.589 -8.718 1.463 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.121 -8.290 3.076 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.907 -8.829 4.014 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.361 -9.461 2.473 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.859 -6.604 0.157 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.281 -8.315 0.404 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.566 -7.090 0.278 1.00 0.00 H new ATOM 685 N GLU A 45 -6.292 -10.627 2.969 1.00 0.00 N ATOM 686 CA GLU A 45 -7.652 -10.882 2.473 1.00 0.00 C ATOM 687 C GLU A 45 -8.583 -9.730 2.825 1.00 0.00 C ATOM 688 O GLU A 45 -8.744 -9.385 3.997 1.00 0.00 O ATOM 689 CB GLU A 45 -8.191 -12.174 3.090 1.00 0.00 C ATOM 690 CG GLU A 45 -9.520 -12.541 2.427 1.00 0.00 C ATOM 691 CD GLU A 45 -10.010 -13.886 2.950 1.00 0.00 C ATOM 692 OE1 GLU A 45 -9.927 -14.099 4.148 1.00 0.00 O ATOM 693 OE2 GLU A 45 -10.461 -14.684 2.143 1.00 0.00 O ATOM 0 H GLU A 45 -6.236 -10.416 3.965 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.609 -10.978 1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.471 -12.981 2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.331 -12.046 4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.263 -11.770 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.396 -12.586 1.345 1.00 0.00 H new ATOM 700 N THR A 46 -9.197 -9.138 1.804 1.00 0.00 N ATOM 701 CA THR A 46 -10.115 -8.026 2.023 1.00 0.00 C ATOM 702 C THR A 46 -11.481 -8.532 2.473 1.00 0.00 C ATOM 703 O THR A 46 -11.801 -9.710 2.315 1.00 0.00 O ATOM 704 CB THR A 46 -10.270 -7.213 0.740 1.00 0.00 C ATOM 705 OG1 THR A 46 -10.992 -7.975 -0.217 1.00 0.00 O ATOM 706 CG2 THR A 46 -8.887 -6.866 0.190 1.00 0.00 C ATOM 0 H THR A 46 -9.077 -9.406 0.827 1.00 0.00 H new ATOM 0 HA THR A 46 -9.700 -7.393 2.807 1.00 0.00 H new ATOM 0 HB THR A 46 -10.815 -6.293 0.951 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.499 -7.372 -0.800 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.995 -6.285 -0.726 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.338 -6.281 0.928 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.340 -7.784 -0.025 1.00 0.00 H new ATOM 714 N ARG A 47 -12.282 -7.632 3.035 1.00 0.00 N ATOM 715 CA ARG A 47 -13.614 -7.996 3.504 1.00 0.00 C ATOM 716 C ARG A 47 -14.405 -8.666 2.386 1.00 0.00 C ATOM 717 O ARG A 47 -15.151 -9.617 2.623 1.00 0.00 O ATOM 718 CB ARG A 47 -14.360 -6.749 3.984 1.00 0.00 C ATOM 719 CG ARG A 47 -13.624 -6.141 5.178 1.00 0.00 C ATOM 720 CD ARG A 47 -14.316 -4.844 5.598 1.00 0.00 C ATOM 721 NE ARG A 47 -15.702 -5.109 5.968 1.00 0.00 N ATOM 722 CZ ARG A 47 -16.522 -4.122 6.315 1.00 0.00 C ATOM 723 NH1 ARG A 47 -16.090 -2.889 6.330 1.00 0.00 N ATOM 724 NH2 ARG A 47 -17.758 -4.384 6.641 1.00 0.00 N ATOM 0 H ARG A 47 -12.034 -6.653 3.176 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.510 -8.695 4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.429 -6.020 3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.380 -7.009 4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.614 -6.846 6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.585 -5.943 4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.787 -4.397 6.439 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.282 -4.124 4.781 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.048 -6.069 5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.124 -2.684 6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.719 -2.131 6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -18.095 -5.347 6.630 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.387 -3.626 6.907 1.00 0.00 H new ATOM 738 N ASP A 48 -14.232 -8.168 1.166 1.00 0.00 N ATOM 739 CA ASP A 48 -14.931 -8.730 0.018 1.00 0.00 C ATOM 740 C ASP A 48 -14.390 -10.120 -0.300 1.00 0.00 C ATOM 741 O ASP A 48 -14.900 -10.811 -1.182 1.00 0.00 O ATOM 742 CB ASP A 48 -14.756 -7.821 -1.200 1.00 0.00 C ATOM 743 CG ASP A 48 -15.362 -6.451 -0.919 1.00 0.00 C ATOM 744 OD1 ASP A 48 -16.550 -6.292 -1.151 1.00 0.00 O ATOM 745 OD2 ASP A 48 -14.631 -5.580 -0.477 1.00 0.00 O ATOM 0 H ASP A 48 -13.619 -7.383 0.948 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.991 -8.807 0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.697 -7.718 -1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.236 -8.269 -2.070 1.00 0.00 H new ATOM 750 N GLY A 49 -13.351 -10.521 0.427 1.00 0.00 N ATOM 751 CA GLY A 49 -12.743 -11.830 0.221 1.00 0.00 C ATOM 752 C GLY A 49 -11.769 -11.802 -0.951 1.00 0.00 C ATOM 753 O GLY A 49 -11.582 -12.807 -1.636 1.00 0.00 O ATOM 0 H GLY A 49 -12.915 -9.961 1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.220 -12.138 1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.521 -12.571 0.035 1.00 0.00 H new ATOM 757 N THR A 50 -11.148 -10.646 -1.178 1.00 0.00 N ATOM 758 CA THR A 50 -10.191 -10.503 -2.271 1.00 0.00 C ATOM 759 C THR A 50 -8.798 -10.926 -1.816 1.00 0.00 C ATOM 760 O THR A 50 -8.212 -10.307 -0.929 1.00 0.00 O ATOM 761 CB THR A 50 -10.151 -9.048 -2.748 1.00 0.00 C ATOM 762 OG1 THR A 50 -11.477 -8.550 -2.855 1.00 0.00 O ATOM 763 CG2 THR A 50 -9.464 -8.971 -4.114 1.00 0.00 C ATOM 0 H THR A 50 -11.289 -9.801 -0.624 1.00 0.00 H new ATOM 0 HA THR A 50 -10.508 -11.145 -3.093 1.00 0.00 H new ATOM 0 HB THR A 50 -9.592 -8.447 -2.030 1.00 0.00 H new ATOM 0 HG1 THR A 50 -11.453 -7.618 -3.158 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.437 -7.934 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.446 -9.352 -4.031 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.019 -9.572 -4.835 1.00 0.00 H new ATOM 771 N LYS A 51 -8.274 -11.981 -2.430 1.00 0.00 N ATOM 772 CA LYS A 51 -6.948 -12.472 -2.077 1.00 0.00 C ATOM 773 C LYS A 51 -5.873 -11.592 -2.701 1.00 0.00 C ATOM 774 O LYS A 51 -5.663 -11.618 -3.914 1.00 0.00 O ATOM 775 CB LYS A 51 -6.778 -13.913 -2.562 1.00 0.00 C ATOM 776 CG LYS A 51 -5.387 -14.422 -2.172 1.00 0.00 C ATOM 777 CD LYS A 51 -5.341 -15.946 -2.314 1.00 0.00 C ATOM 778 CE LYS A 51 -5.521 -16.332 -3.785 1.00 0.00 C ATOM 779 NZ LYS A 51 -5.097 -17.747 -3.981 1.00 0.00 N ATOM 0 H LYS A 51 -8.742 -12.508 -3.167 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.844 -12.442 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.546 -14.549 -2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.905 -13.961 -3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.629 -13.964 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.158 -14.135 -1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.390 -16.327 -1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.126 -16.401 -1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.563 -16.209 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.930 -15.672 -4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.219 -18.011 -4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.097 -17.850 -3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.679 -18.370 -3.385 1.00 0.00 H new ATOM 793 N ILE A 52 -5.191 -10.815 -1.861 1.00 0.00 N ATOM 794 CA ILE A 52 -4.126 -9.922 -2.325 1.00 0.00 C ATOM 795 C ILE A 52 -2.844 -10.190 -1.537 1.00 0.00 C ATOM 796 O ILE A 52 -2.816 -10.067 -0.315 1.00 0.00 O ATOM 797 CB ILE A 52 -4.567 -8.452 -2.156 1.00 0.00 C ATOM 798 CG1 ILE A 52 -5.473 -8.320 -0.929 1.00 0.00 C ATOM 799 CG2 ILE A 52 -5.356 -7.993 -3.377 1.00 0.00 C ATOM 800 CD1 ILE A 52 -5.600 -6.845 -0.542 1.00 0.00 C ATOM 0 H ILE A 52 -5.356 -10.785 -0.855 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.931 -10.110 -3.381 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.673 -7.839 -2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.457 -8.736 -1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.061 -8.891 -0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.661 -6.955 -3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.732 -8.077 -4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.241 -8.619 -3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.245 -6.752 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.614 -6.444 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.032 -6.287 -1.373 1.00 0.00 H new ATOM 812 N ILE A 53 -1.788 -10.562 -2.255 1.00 0.00 N ATOM 813 CA ILE A 53 -0.499 -10.861 -1.629 1.00 0.00 C ATOM 814 C ILE A 53 0.303 -9.586 -1.405 1.00 0.00 C ATOM 815 O ILE A 53 0.249 -8.662 -2.213 1.00 0.00 O ATOM 816 CB ILE A 53 0.304 -11.815 -2.524 1.00 0.00 C ATOM 817 CG1 ILE A 53 -0.643 -12.845 -3.143 1.00 0.00 C ATOM 818 CG2 ILE A 53 1.381 -12.528 -1.702 1.00 0.00 C ATOM 819 CD1 ILE A 53 -1.469 -13.529 -2.050 1.00 0.00 C ATOM 0 H ILE A 53 -1.797 -10.664 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.688 -11.330 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 53 0.789 -11.243 -3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.306 -12.357 -3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.071 -13.590 -3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.944 -13.202 -2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.057 -11.790 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.910 -13.100 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.139 -14.260 -2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.801 -14.033 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.056 -12.782 -1.516 1.00 0.00 H new ATOM 831 N MET A 54 1.062 -9.549 -0.316 1.00 0.00 N ATOM 832 CA MET A 54 1.880 -8.377 -0.022 1.00 0.00 C ATOM 833 C MET A 54 3.021 -8.277 -1.030 1.00 0.00 C ATOM 834 O MET A 54 4.149 -8.674 -0.752 1.00 0.00 O ATOM 835 CB MET A 54 2.440 -8.456 1.405 1.00 0.00 C ATOM 836 CG MET A 54 3.137 -7.136 1.762 1.00 0.00 C ATOM 837 SD MET A 54 1.903 -5.830 2.017 1.00 0.00 S ATOM 838 CE MET A 54 2.818 -4.469 1.242 1.00 0.00 C ATOM 0 H MET A 54 1.129 -10.303 0.368 1.00 0.00 H new ATOM 0 HA MET A 54 1.257 -7.486 -0.098 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.634 -8.655 2.111 1.00 0.00 H new ATOM 0 HB3 MET A 54 3.145 -9.283 1.484 1.00 0.00 H new ATOM 0 HG2 MET A 54 3.735 -7.264 2.664 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.822 -6.850 0.964 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.127 -3.665 0.987 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.570 -4.095 1.936 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.307 -4.828 0.337 1.00 0.00 H new ATOM 848 N LYS A 55 2.713 -7.737 -2.204 1.00 0.00 N ATOM 849 CA LYS A 55 3.712 -7.586 -3.252 1.00 0.00 C ATOM 850 C LYS A 55 4.695 -6.482 -2.883 1.00 0.00 C ATOM 851 O LYS A 55 5.825 -6.746 -2.472 1.00 0.00 O ATOM 852 CB LYS A 55 3.016 -7.230 -4.576 1.00 0.00 C ATOM 853 CG LYS A 55 4.040 -7.125 -5.721 1.00 0.00 C ATOM 854 CD LYS A 55 4.721 -8.498 -5.982 1.00 0.00 C ATOM 855 CE LYS A 55 6.132 -8.540 -5.362 1.00 0.00 C ATOM 856 NZ LYS A 55 7.120 -8.014 -6.347 1.00 0.00 N ATOM 0 H LYS A 55 1.783 -7.398 -2.452 1.00 0.00 H new ATOM 0 HA LYS A 55 4.255 -8.524 -3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.272 -7.989 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.484 -6.284 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.543 -6.782 -6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.796 -6.381 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.111 -9.297 -5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.786 -8.678 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.159 -7.944 -4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.389 -9.562 -5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.943 -7.629 -5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.428 -8.784 -6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.679 -7.261 -6.913 1.00 0.00 H new ATOM 870 N GLY A 56 4.246 -5.248 -3.041 1.00 0.00 N ATOM 871 CA GLY A 56 5.070 -4.087 -2.739 1.00 0.00 C ATOM 872 C GLY A 56 5.503 -4.071 -1.277 1.00 0.00 C ATOM 873 O GLY A 56 5.024 -3.254 -0.491 1.00 0.00 O ATOM 0 H GLY A 56 3.310 -5.023 -3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.952 -4.089 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.514 -3.177 -2.964 1.00 0.00 H new ATOM 877 N ASN A 57 6.420 -4.962 -0.915 1.00 0.00 N ATOM 878 CA ASN A 57 6.905 -5.011 0.458 1.00 0.00 C ATOM 879 C ASN A 57 7.772 -3.790 0.746 1.00 0.00 C ATOM 880 O ASN A 57 8.222 -3.582 1.871 1.00 0.00 O ATOM 881 CB ASN A 57 7.720 -6.285 0.689 1.00 0.00 C ATOM 882 CG ASN A 57 8.208 -6.330 2.134 1.00 0.00 C ATOM 883 OD1 ASN A 57 7.605 -5.609 3.040 1.00 0.00 O flip ATOM 884 ND2 ASN A 57 9.165 -7.040 2.447 1.00 0.00 N flip ATOM 0 H ASN A 57 6.837 -5.650 -1.543 1.00 0.00 H new ATOM 0 HA ASN A 57 6.047 -5.013 1.131 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.110 -7.162 0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.570 -6.313 0.007 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.636 -7.603 1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.487 -7.065 3.415 1.00 0.00 H new ATOM 891 N GLU A 58 7.999 -2.984 -0.288 1.00 0.00 N ATOM 892 CA GLU A 58 8.811 -1.781 -0.150 1.00 0.00 C ATOM 893 C GLU A 58 7.978 -0.641 0.423 1.00 0.00 C ATOM 894 O GLU A 58 7.704 0.346 -0.259 1.00 0.00 O ATOM 895 CB GLU A 58 9.367 -1.371 -1.516 1.00 0.00 C ATOM 896 CG GLU A 58 10.175 -2.526 -2.114 1.00 0.00 C ATOM 897 CD GLU A 58 11.544 -2.610 -1.447 1.00 0.00 C ATOM 898 OE1 GLU A 58 12.130 -1.567 -1.206 1.00 0.00 O ATOM 899 OE2 GLU A 58 11.988 -3.716 -1.187 1.00 0.00 O ATOM 0 H GLU A 58 7.633 -3.142 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 58 9.636 -1.994 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.550 -1.101 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.998 -0.489 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.638 -3.464 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.294 -2.379 -3.188 1.00 0.00 H new ATOM 906 N ILE A 59 7.572 -0.789 1.679 1.00 0.00 N ATOM 907 CA ILE A 59 6.764 0.230 2.336 1.00 0.00 C ATOM 908 C ILE A 59 7.524 1.550 2.420 1.00 0.00 C ATOM 909 O ILE A 59 6.946 2.593 2.732 1.00 0.00 O ATOM 910 CB ILE A 59 6.379 -0.241 3.739 1.00 0.00 C ATOM 911 CG1 ILE A 59 7.640 -0.634 4.517 1.00 0.00 C ATOM 912 CG2 ILE A 59 5.458 -1.458 3.631 1.00 0.00 C ATOM 913 CD1 ILE A 59 7.291 -0.858 5.992 1.00 0.00 C ATOM 0 H ILE A 59 7.788 -1.600 2.259 1.00 0.00 H new ATOM 0 HA ILE A 59 5.861 0.390 1.748 1.00 0.00 H new ATOM 0 HB ILE A 59 5.866 0.567 4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.071 -1.541 4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.393 0.149 4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.182 -1.795 4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.558 -1.186 3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.976 -2.261 3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.191 -1.137 6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.880 0.060 6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.554 -1.657 6.074 1.00 0.00 H new ATOM 925 N PHE A 60 8.821 1.500 2.141 1.00 0.00 N ATOM 926 CA PHE A 60 9.651 2.698 2.188 1.00 0.00 C ATOM 927 C PHE A 60 9.114 3.760 1.231 1.00 0.00 C ATOM 928 O PHE A 60 9.282 4.958 1.460 1.00 0.00 O ATOM 929 CB PHE A 60 11.092 2.352 1.812 1.00 0.00 C ATOM 930 CG PHE A 60 11.957 3.583 1.945 1.00 0.00 C ATOM 931 CD1 PHE A 60 12.094 4.461 0.862 1.00 0.00 C ATOM 932 CD2 PHE A 60 12.621 3.847 3.148 1.00 0.00 C ATOM 933 CE1 PHE A 60 12.896 5.602 0.984 1.00 0.00 C ATOM 934 CE2 PHE A 60 13.422 4.988 3.269 1.00 0.00 C ATOM 935 CZ PHE A 60 13.561 5.866 2.186 1.00 0.00 C ATOM 0 H PHE A 60 9.319 0.648 1.881 1.00 0.00 H new ATOM 0 HA PHE A 60 9.627 3.094 3.203 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.467 1.559 2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 60 11.132 1.975 0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.581 4.258 -0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 60 12.515 3.170 3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 60 13.001 6.279 0.149 1.00 0.00 H new ATOM 0 HE2 PHE A 60 13.934 5.192 4.198 1.00 0.00 H new ATOM 0 HZ PHE A 60 14.181 6.746 2.279 1.00 0.00 H new ATOM 945 N ARG A 61 8.471 3.311 0.158 1.00 0.00 N ATOM 946 CA ARG A 61 7.918 4.234 -0.829 1.00 0.00 C ATOM 947 C ARG A 61 6.968 5.226 -0.164 1.00 0.00 C ATOM 948 O ARG A 61 7.082 6.436 -0.363 1.00 0.00 O ATOM 949 CB ARG A 61 7.170 3.448 -1.915 1.00 0.00 C ATOM 950 CG ARG A 61 6.810 4.373 -3.101 1.00 0.00 C ATOM 951 CD ARG A 61 7.944 4.396 -4.138 1.00 0.00 C ATOM 952 NE ARG A 61 9.103 5.110 -3.615 1.00 0.00 N ATOM 953 CZ ARG A 61 10.297 4.998 -4.187 1.00 0.00 C ATOM 954 NH1 ARG A 61 10.449 4.238 -5.236 1.00 0.00 N ATOM 955 NH2 ARG A 61 11.317 5.648 -3.698 1.00 0.00 N ATOM 0 H ARG A 61 8.320 2.324 -0.050 1.00 0.00 H new ATOM 0 HA ARG A 61 8.739 4.789 -1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.788 2.621 -2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.262 3.012 -1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.889 4.028 -3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.624 5.383 -2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.226 3.376 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.597 4.875 -5.053 1.00 0.00 H new ATOM 0 HE ARG A 61 8.995 5.707 -2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.651 3.730 -5.617 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.366 4.152 -5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.198 6.242 -2.877 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.234 5.563 -4.136 1.00 0.00 H new ATOM 969 N LEU A 62 6.033 4.710 0.628 1.00 0.00 N ATOM 970 CA LEU A 62 5.074 5.566 1.316 1.00 0.00 C ATOM 971 C LEU A 62 5.808 6.657 2.098 1.00 0.00 C ATOM 972 O LEU A 62 5.504 7.842 1.968 1.00 0.00 O ATOM 973 CB LEU A 62 4.212 4.714 2.267 1.00 0.00 C ATOM 974 CG LEU A 62 2.820 5.336 2.438 1.00 0.00 C ATOM 975 CD1 LEU A 62 2.031 4.534 3.476 1.00 0.00 C ATOM 976 CD2 LEU A 62 2.951 6.790 2.909 1.00 0.00 C ATOM 0 H LEU A 62 5.920 3.712 0.808 1.00 0.00 H new ATOM 0 HA LEU A 62 4.427 6.044 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.118 3.702 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.702 4.634 3.237 1.00 0.00 H new ATOM 0 HG LEU A 62 2.298 5.316 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.041 4.974 3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.930 3.502 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.559 4.554 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.959 7.225 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.476 6.817 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.512 7.363 2.170 1.00 0.00 H new ATOM 988 N ASP A 63 6.780 6.244 2.905 1.00 0.00 N ATOM 989 CA ASP A 63 7.552 7.191 3.700 1.00 0.00 C ATOM 990 C ASP A 63 8.080 8.322 2.822 1.00 0.00 C ATOM 991 O ASP A 63 8.151 8.192 1.600 1.00 0.00 O ATOM 992 CB ASP A 63 8.726 6.475 4.371 1.00 0.00 C ATOM 993 CG ASP A 63 8.205 5.409 5.329 1.00 0.00 C ATOM 994 OD1 ASP A 63 7.449 4.561 4.886 1.00 0.00 O ATOM 995 OD2 ASP A 63 8.571 5.456 6.493 1.00 0.00 O ATOM 0 H ASP A 63 7.050 5.268 3.025 1.00 0.00 H new ATOM 0 HA ASP A 63 6.899 7.613 4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.364 6.017 3.615 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.340 7.194 4.913 1.00 0.00 H new ATOM 1000 N GLU A 64 8.448 9.432 3.454 1.00 0.00 N ATOM 1001 CA GLU A 64 8.968 10.579 2.720 1.00 0.00 C ATOM 1002 C GLU A 64 10.119 10.159 1.811 1.00 0.00 C ATOM 1003 O GLU A 64 11.287 10.246 2.192 1.00 0.00 O ATOM 1004 CB GLU A 64 9.454 11.650 3.699 1.00 0.00 C ATOM 1005 CG GLU A 64 8.287 12.108 4.576 1.00 0.00 C ATOM 1006 CD GLU A 64 7.267 12.864 3.733 1.00 0.00 C ATOM 1007 OE1 GLU A 64 7.673 13.490 2.766 1.00 0.00 O ATOM 1008 OE2 GLU A 64 6.094 12.809 4.064 1.00 0.00 O ATOM 0 H GLU A 64 8.396 9.561 4.464 1.00 0.00 H new ATOM 0 HA GLU A 64 8.165 10.986 2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.256 11.252 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.866 12.498 3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.815 11.246 5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.654 12.748 5.379 1.00 0.00 H new ATOM 1015 N ALA A 65 9.781 9.704 0.610 1.00 0.00 N ATOM 1016 CA ALA A 65 10.795 9.272 -0.345 1.00 0.00 C ATOM 1017 C ALA A 65 11.514 10.476 -0.946 1.00 0.00 C ATOM 1018 O ALA A 65 11.764 10.524 -2.151 1.00 0.00 O ATOM 1019 CB ALA A 65 10.145 8.453 -1.461 1.00 0.00 C ATOM 0 H ALA A 65 8.821 9.625 0.276 1.00 0.00 H new ATOM 0 HA ALA A 65 11.523 8.655 0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.909 8.134 -2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.658 7.577 -1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.404 9.064 -1.976 1.00 0.00 H new ATOM 1025 N LEU A 66 11.843 11.444 -0.099 1.00 0.00 N ATOM 1026 CA LEU A 66 12.534 12.645 -0.558 1.00 0.00 C ATOM 1027 C LEU A 66 11.737 13.330 -1.664 1.00 0.00 C ATOM 1028 O LEU A 66 10.767 12.775 -2.178 1.00 0.00 O ATOM 1029 CB LEU A 66 13.929 12.280 -1.074 1.00 0.00 C ATOM 1030 CG LEU A 66 14.571 11.254 -0.139 1.00 0.00 C ATOM 1031 CD1 LEU A 66 16.012 10.991 -0.584 1.00 0.00 C ATOM 1032 CD2 LEU A 66 14.569 11.796 1.294 1.00 0.00 C ATOM 0 H LEU A 66 11.645 11.423 0.901 1.00 0.00 H new ATOM 0 HA LEU A 66 12.629 13.333 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.859 11.874 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.551 13.173 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 66 14.004 10.324 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 66 16.471 10.260 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.013 10.605 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.579 11.921 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.027 11.065 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 66 15.136 12.726 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.543 11.983 1.611 1.00 0.00 H new ATOM 1044 N ARG A 67 12.155 14.539 -2.025 1.00 0.00 N ATOM 1045 CA ARG A 67 11.473 15.292 -3.072 1.00 0.00 C ATOM 1046 C ARG A 67 11.546 14.546 -4.401 1.00 0.00 C ATOM 1047 O ARG A 67 10.523 14.275 -5.029 1.00 0.00 O ATOM 1048 CB ARG A 67 12.113 16.672 -3.223 1.00 0.00 C ATOM 1049 CG ARG A 67 11.300 17.505 -4.218 1.00 0.00 C ATOM 1050 CD ARG A 67 11.860 18.927 -4.271 1.00 0.00 C ATOM 1051 NE ARG A 67 13.290 18.898 -4.552 1.00 0.00 N ATOM 1052 CZ ARG A 67 14.015 20.013 -4.550 1.00 0.00 C ATOM 1053 NH1 ARG A 67 13.446 21.159 -4.291 1.00 0.00 N ATOM 1054 NH2 ARG A 67 15.293 19.961 -4.805 1.00 0.00 N ATOM 0 H ARG A 67 12.957 15.016 -1.612 1.00 0.00 H new ATOM 0 HA ARG A 67 10.427 15.407 -2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.151 17.175 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.141 16.572 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.340 17.050 -5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.252 17.527 -3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.343 19.500 -5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.679 19.432 -3.322 1.00 0.00 H new ATOM 0 HE ARG A 67 13.743 18.007 -4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.447 21.198 -4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.001 22.015 -4.289 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.737 19.065 -5.006 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.849 20.816 -4.803 1.00 0.00 H new ATOM 1068 N LYS A 68 12.763 14.218 -4.823 1.00 0.00 N ATOM 1069 CA LYS A 68 12.957 13.504 -6.080 1.00 0.00 C ATOM 1070 C LYS A 68 12.520 12.048 -5.943 1.00 0.00 C ATOM 1071 O LYS A 68 12.770 11.409 -4.921 1.00 0.00 O ATOM 1072 CB LYS A 68 14.430 13.563 -6.492 1.00 0.00 C ATOM 1073 CG LYS A 68 14.980 14.969 -6.239 1.00 0.00 C ATOM 1074 CD LYS A 68 14.099 15.999 -6.953 1.00 0.00 C ATOM 1075 CE LYS A 68 14.835 17.340 -7.026 1.00 0.00 C ATOM 1076 NZ LYS A 68 16.121 17.161 -7.758 1.00 0.00 N ATOM 0 H LYS A 68 13.623 14.433 -4.318 1.00 0.00 H new ATOM 0 HA LYS A 68 12.347 13.982 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.005 12.830 -5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.533 13.306 -7.546 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.004 15.175 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.006 15.040 -6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.855 15.651 -7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.156 16.118 -6.419 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.216 18.080 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.025 17.718 -6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.351 18.034 -8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.880 16.950 -7.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.030 16.374 -8.432 1.00 0.00 H new ATOM 1090 N GLY A 69 11.865 11.533 -6.978 1.00 0.00 N ATOM 1091 CA GLY A 69 11.397 10.151 -6.961 1.00 0.00 C ATOM 1092 C GLY A 69 10.738 9.782 -8.285 1.00 0.00 C ATOM 1093 O GLY A 69 11.414 9.603 -9.297 1.00 0.00 O ATOM 0 H GLY A 69 11.647 12.046 -7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.235 9.482 -6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.686 10.014 -6.146 1.00 0.00 H new ATOM 1097 N HIS A 70 9.413 9.671 -8.270 1.00 0.00 N ATOM 1098 CA HIS A 70 8.672 9.324 -9.476 1.00 0.00 C ATOM 1099 C HIS A 70 9.195 8.019 -10.068 1.00 0.00 C ATOM 1100 O HIS A 70 9.116 7.799 -11.277 1.00 0.00 O ATOM 1101 CB HIS A 70 8.802 10.443 -10.510 1.00 0.00 C ATOM 1102 CG HIS A 70 8.300 11.732 -9.920 1.00 0.00 C ATOM 1103 ND1 HIS A 70 7.028 12.218 -10.179 1.00 0.00 N ATOM 1104 CD2 HIS A 70 8.886 12.648 -9.081 1.00 0.00 C ATOM 1105 CE1 HIS A 70 6.891 13.376 -9.509 1.00 0.00 C ATOM 1106 NE2 HIS A 70 7.995 13.685 -8.823 1.00 0.00 N ATOM 0 H HIS A 70 8.835 9.815 -7.442 1.00 0.00 H new ATOM 0 HA HIS A 70 7.623 9.196 -9.211 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.843 10.551 -10.815 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.232 10.194 -11.405 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.887 12.574 -8.682 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.997 13.982 -9.524 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.151 14.505 -8.236 1.00 0.00 H new ATOM 1114 N SER A 71 9.726 7.155 -9.209 1.00 0.00 N ATOM 1115 CA SER A 71 10.258 5.875 -9.658 1.00 0.00 C ATOM 1116 C SER A 71 11.267 6.079 -10.783 1.00 0.00 C ATOM 1117 O SER A 71 10.894 6.211 -11.948 1.00 0.00 O ATOM 1118 CB SER A 71 9.120 4.979 -10.147 1.00 0.00 C ATOM 1119 OG SER A 71 8.650 5.460 -11.399 1.00 0.00 O ATOM 0 H SER A 71 9.799 7.317 -8.205 1.00 0.00 H new ATOM 0 HA SER A 71 10.760 5.397 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.468 3.951 -10.247 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.309 4.972 -9.419 1.00 0.00 H new ATOM 0 HG SER A 71 9.147 6.268 -11.647 1.00 0.00 H new ATOM 1125 N GLU A 72 12.547 6.100 -10.427 1.00 0.00 N ATOM 1126 CA GLU A 72 13.602 6.288 -11.416 1.00 0.00 C ATOM 1127 C GLU A 72 13.621 5.128 -12.406 1.00 0.00 C ATOM 1128 O GLU A 72 14.026 5.288 -13.556 1.00 0.00 O ATOM 1129 CB GLU A 72 14.960 6.388 -10.718 1.00 0.00 C ATOM 1130 CG GLU A 72 14.944 7.558 -9.732 1.00 0.00 C ATOM 1131 CD GLU A 72 14.847 8.877 -10.491 1.00 0.00 C ATOM 1132 OE1 GLU A 72 15.790 9.206 -11.191 1.00 0.00 O ATOM 1133 OE2 GLU A 72 13.831 9.541 -10.360 1.00 0.00 O ATOM 0 H GLU A 72 12.877 5.990 -9.468 1.00 0.00 H new ATOM 0 HA GLU A 72 13.404 7.212 -11.960 1.00 0.00 H new ATOM 0 HB2 GLU A 72 15.179 5.459 -10.192 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.750 6.531 -11.455 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.100 7.458 -9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.848 7.544 -9.124 1.00 0.00 H new ATOM 1140 N GLY A 73 13.180 3.960 -11.950 1.00 0.00 N ATOM 1141 CA GLY A 73 13.150 2.779 -12.804 1.00 0.00 C ATOM 1142 C GLY A 73 14.558 2.391 -13.246 1.00 0.00 C ATOM 1143 O GLY A 73 14.983 2.715 -14.353 1.00 0.00 O ATOM 0 H GLY A 73 12.841 3.807 -11.000 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.691 1.949 -12.267 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.530 2.974 -13.679 1.00 0.00 H new ATOM 1147 N GLY A 74 15.275 1.694 -12.369 1.00 0.00 N ATOM 1148 CA GLY A 74 16.634 1.265 -12.681 1.00 0.00 C ATOM 1149 C GLY A 74 17.230 0.467 -11.528 1.00 0.00 C ATOM 1150 O GLY A 74 17.041 -0.739 -11.508 1.00 0.00 O ATOM 1151 OXT GLY A 74 17.868 1.071 -10.681 1.00 0.00 O ATOM 0 H GLY A 74 14.942 1.417 -11.446 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.629 0.657 -13.585 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.257 2.136 -12.886 1.00 0.00 H new TER 1155 GLY A 74 HETATM 1156 CU CU1 A 101 0.360 -6.423 3.633 1.00 0.00 CU HETATM 1157 CU CU A 102 5.197 11.639 -9.611 1.00 0.00 CU HETATM 1158 O HOH A 201 5.904 11.187 -7.795 1.00 0.00 O