USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 MET CE :methyl 172:sc= -0.527 (180deg=-0.643) USER MOD Set 1.2: A 34 HIS : no HD1:sc= -0.44 X(o=-0.97,f=-0.63) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -145:sc= -0.0546 (180deg=-0.705) USER MOD Single : A 11 TYR OH : rot -47:sc= -0.208 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 44 MET CE :methyl -171:sc= -0.323 (180deg=-0.385) USER MOD Single : A 45 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.788) USER MOD Single : A 49 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.016) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -160:sc= -2.01 USER MOD Single : A 63 SER OG : rot 90:sc= 0.0256 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 4 5.117 5.861 10.041 1.00 0.00 N ATOM 34 CA LYS A 4 5.226 4.974 8.896 1.00 0.00 C ATOM 35 C LYS A 4 5.735 5.765 7.690 1.00 0.00 C ATOM 36 O LYS A 4 5.065 5.837 6.661 1.00 0.00 O ATOM 37 CB LYS A 4 3.896 4.258 8.643 1.00 0.00 C ATOM 38 CG LYS A 4 4.127 2.871 8.039 1.00 0.00 C ATOM 39 CD LYS A 4 4.718 1.913 9.074 1.00 0.00 C ATOM 40 CE LYS A 4 6.051 1.339 8.591 1.00 0.00 C ATOM 41 NZ LYS A 4 6.923 1.014 9.742 1.00 0.00 N ATOM 0 HA LYS A 4 5.954 4.187 9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.346 4.164 9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.280 4.854 7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.184 2.472 7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.800 2.950 7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.865 2.437 10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.016 1.101 9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.874 0.442 7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.549 2.058 7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.824 0.626 9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.107 1.877 10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.452 0.311 10.347 1.00 0.00 H new ATOM 51 N ILE A 5 6.917 6.340 7.856 1.00 0.00 N ATOM 52 CA ILE A 5 7.525 7.124 6.794 1.00 0.00 C ATOM 53 C ILE A 5 8.113 6.181 5.742 1.00 0.00 C ATOM 54 O ILE A 5 8.041 6.457 4.546 1.00 0.00 O ATOM 55 CB ILE A 5 8.541 8.111 7.372 1.00 0.00 C ATOM 56 CG1 ILE A 5 9.029 9.086 6.298 1.00 0.00 C ATOM 57 CG2 ILE A 5 9.700 7.374 8.046 1.00 0.00 C ATOM 58 CD1 ILE A 5 10.374 9.703 6.688 1.00 0.00 C ATOM 0 H ILE A 5 7.470 6.279 8.711 1.00 0.00 H new ATOM 0 HA ILE A 5 6.773 7.733 6.292 1.00 0.00 H new ATOM 0 HB ILE A 5 8.044 8.701 8.142 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.126 8.565 5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.291 9.875 6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.408 8.099 8.448 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.315 6.755 8.856 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.204 6.742 7.314 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.698 10.392 5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.267 10.244 7.628 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.116 8.913 6.806 1.00 0.00 H new ATOM 69 N GLY A 6 8.682 5.087 6.227 1.00 0.00 N ATOM 70 CA GLY A 6 9.281 4.101 5.344 1.00 0.00 C ATOM 71 C GLY A 6 8.230 3.474 4.427 1.00 0.00 C ATOM 72 O GLY A 6 8.362 3.515 3.205 1.00 0.00 O ATOM 0 H GLY A 6 8.741 4.862 7.220 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.059 4.571 4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.763 3.323 5.936 1.00 0.00 H new ATOM 76 N LEU A 7 7.208 2.908 5.052 1.00 0.00 N ATOM 77 CA LEU A 7 6.134 2.273 4.307 1.00 0.00 C ATOM 78 C LEU A 7 5.417 3.325 3.457 1.00 0.00 C ATOM 79 O LEU A 7 5.149 3.098 2.279 1.00 0.00 O ATOM 80 CB LEU A 7 5.205 1.510 5.254 1.00 0.00 C ATOM 81 CG LEU A 7 4.761 0.123 4.784 1.00 0.00 C ATOM 82 CD1 LEU A 7 5.969 -0.767 4.486 1.00 0.00 C ATOM 83 CD2 LEU A 7 3.809 -0.520 5.795 1.00 0.00 C ATOM 0 H LEU A 7 7.101 2.876 6.066 1.00 0.00 H new ATOM 0 HA LEU A 7 6.535 1.527 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.707 1.403 6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.315 2.116 5.425 1.00 0.00 H new ATOM 0 HG LEU A 7 4.209 0.238 3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.626 -1.747 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.574 -0.310 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.569 -0.880 5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.509 -1.505 5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.313 -0.622 6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.926 0.108 5.913 1.00 0.00 H new ATOM 94 N LYS A 8 5.128 4.453 4.089 1.00 0.00 N ATOM 95 CA LYS A 8 4.448 5.540 3.405 1.00 0.00 C ATOM 96 C LYS A 8 5.284 5.982 2.202 1.00 0.00 C ATOM 97 O LYS A 8 4.737 6.367 1.170 1.00 0.00 O ATOM 98 CB LYS A 8 4.131 6.674 4.383 1.00 0.00 C ATOM 99 CG LYS A 8 3.417 7.825 3.674 1.00 0.00 C ATOM 100 CD LYS A 8 3.961 9.177 4.139 1.00 0.00 C ATOM 101 CE LYS A 8 3.625 9.428 5.610 1.00 0.00 C ATOM 102 NZ LYS A 8 4.826 9.885 6.346 1.00 0.00 N ATOM 0 H LYS A 8 5.352 4.638 5.067 1.00 0.00 H new ATOM 0 HA LYS A 8 3.485 5.204 3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.506 6.297 5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.054 7.037 4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.546 7.729 2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.347 7.772 3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.042 9.205 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.539 9.973 3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.837 10.178 5.686 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.240 8.514 6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.805 9.506 7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.681 9.546 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.837 10.924 6.381 1.00 0.00 H new ATOM 112 N VAL A 9 6.596 5.912 2.375 1.00 0.00 N ATOM 113 CA VAL A 9 7.512 6.300 1.317 1.00 0.00 C ATOM 114 C VAL A 9 7.327 5.364 0.120 1.00 0.00 C ATOM 115 O VAL A 9 7.002 5.813 -0.979 1.00 0.00 O ATOM 116 CB VAL A 9 8.947 6.316 1.846 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.952 6.080 0.717 1.00 0.00 C ATOM 118 CG2 VAL A 9 9.245 7.625 2.581 1.00 0.00 C ATOM 0 H VAL A 9 7.046 5.592 3.233 1.00 0.00 H new ATOM 0 HA VAL A 9 7.294 7.312 0.976 1.00 0.00 H new ATOM 0 HB VAL A 9 9.049 5.499 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.964 6.096 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.761 5.111 0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.848 6.865 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.272 7.611 2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.115 8.464 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.561 7.734 3.423 1.00 0.00 H new ATOM 128 N LEU A 10 7.544 4.082 0.373 1.00 0.00 N ATOM 129 CA LEU A 10 7.406 3.080 -0.670 1.00 0.00 C ATOM 130 C LEU A 10 6.016 3.194 -1.300 1.00 0.00 C ATOM 131 O LEU A 10 5.893 3.384 -2.509 1.00 0.00 O ATOM 132 CB LEU A 10 7.719 1.687 -0.119 1.00 0.00 C ATOM 133 CG LEU A 10 9.136 1.169 -0.371 1.00 0.00 C ATOM 134 CD1 LEU A 10 9.985 1.257 0.899 1.00 0.00 C ATOM 135 CD2 LEU A 10 9.107 -0.250 -0.945 1.00 0.00 C ATOM 0 H LEU A 10 7.814 3.714 1.285 1.00 0.00 H new ATOM 0 HA LEU A 10 8.132 3.254 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.543 1.695 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.012 0.979 -0.552 1.00 0.00 H new ATOM 0 HG LEU A 10 9.607 1.808 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.988 0.883 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.045 2.295 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.528 0.656 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.127 -0.595 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.611 -0.917 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.562 -0.250 -1.889 1.00 0.00 H new ATOM 146 N TYR A 11 5.005 3.074 -0.452 1.00 0.00 N ATOM 147 CA TYR A 11 3.629 3.162 -0.911 1.00 0.00 C ATOM 148 C TYR A 11 3.413 4.417 -1.759 1.00 0.00 C ATOM 149 O TYR A 11 2.952 4.331 -2.896 1.00 0.00 O ATOM 150 CB TYR A 11 2.770 3.257 0.350 1.00 0.00 C ATOM 151 CG TYR A 11 1.498 4.090 0.175 1.00 0.00 C ATOM 152 CD1 TYR A 11 0.831 4.085 -1.033 1.00 0.00 C ATOM 153 CD2 TYR A 11 1.017 4.846 1.224 1.00 0.00 C ATOM 154 CE1 TYR A 11 -0.366 4.868 -1.200 1.00 0.00 C ATOM 155 CE2 TYR A 11 -0.180 5.630 1.059 1.00 0.00 C ATOM 156 CZ TYR A 11 -0.812 5.602 -0.145 1.00 0.00 C ATOM 157 OH TYR A 11 -1.943 6.341 -0.301 1.00 0.00 O ATOM 0 H TYR A 11 5.111 2.917 0.550 1.00 0.00 H new ATOM 0 HA TYR A 11 3.373 2.300 -1.526 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.493 2.251 0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.368 3.689 1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.207 3.493 -1.854 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.538 4.850 2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.897 4.872 -2.140 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.567 6.226 1.872 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.890 6.848 -1.138 1.00 0.00 H new ATOM 166 N LYS A 12 3.756 5.554 -1.172 1.00 0.00 N ATOM 167 CA LYS A 12 3.604 6.825 -1.859 1.00 0.00 C ATOM 168 C LYS A 12 4.318 6.758 -3.211 1.00 0.00 C ATOM 169 O LYS A 12 3.873 7.366 -4.183 1.00 0.00 O ATOM 170 CB LYS A 12 4.080 7.976 -0.969 1.00 0.00 C ATOM 171 CG LYS A 12 4.212 9.272 -1.771 1.00 0.00 C ATOM 172 CD LYS A 12 5.580 9.358 -2.453 1.00 0.00 C ATOM 173 CE LYS A 12 6.115 10.792 -2.430 1.00 0.00 C ATOM 174 NZ LYS A 12 7.573 10.805 -2.678 1.00 0.00 N ATOM 0 H LYS A 12 4.138 5.622 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 12 2.552 7.024 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.376 8.122 -0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.041 7.721 -0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.424 9.321 -2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.077 10.128 -1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.284 8.695 -1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.499 9.013 -3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.606 11.388 -3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.900 11.251 -1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.920 11.785 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.056 10.253 -1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.771 10.386 -3.609 1.00 0.00 H new ATOM 184 N LEU A 13 5.415 6.014 -3.228 1.00 0.00 N ATOM 185 CA LEU A 13 6.194 5.859 -4.444 1.00 0.00 C ATOM 186 C LEU A 13 5.530 4.814 -5.342 1.00 0.00 C ATOM 187 O LEU A 13 5.676 4.856 -6.563 1.00 0.00 O ATOM 188 CB LEU A 13 7.653 5.544 -4.108 1.00 0.00 C ATOM 189 CG LEU A 13 8.704 6.162 -5.034 1.00 0.00 C ATOM 190 CD1 LEU A 13 10.064 6.248 -4.339 1.00 0.00 C ATOM 191 CD2 LEU A 13 8.785 5.398 -6.358 1.00 0.00 C ATOM 0 H LEU A 13 5.782 5.513 -2.419 1.00 0.00 H new ATOM 0 HA LEU A 13 6.214 6.793 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.851 5.880 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.781 4.462 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 13 8.396 7.181 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.792 6.690 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.978 6.867 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.392 5.248 -4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.539 5.857 -6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.057 4.361 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.817 5.431 -6.857 1.00 0.00 H new ATOM 202 N MET A 14 4.814 3.900 -4.702 1.00 0.00 N ATOM 203 CA MET A 14 4.127 2.845 -5.427 1.00 0.00 C ATOM 204 C MET A 14 2.944 3.406 -6.220 1.00 0.00 C ATOM 205 O MET A 14 2.776 3.092 -7.397 1.00 0.00 O ATOM 206 CB MET A 14 3.627 1.789 -4.440 1.00 0.00 C ATOM 207 CG MET A 14 4.795 1.038 -3.801 1.00 0.00 C ATOM 208 SD MET A 14 4.825 -0.651 -4.379 1.00 0.00 S ATOM 209 CE MET A 14 6.052 -1.334 -3.277 1.00 0.00 C ATOM 0 H MET A 14 4.695 3.869 -3.689 1.00 0.00 H new ATOM 0 HA MET A 14 4.829 2.394 -6.128 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.029 2.266 -3.664 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.975 1.084 -4.956 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.735 1.532 -4.048 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.700 1.058 -2.715 1.00 0.00 H new ATOM 0 HE1 MET A 14 6.093 -2.416 -3.404 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.027 -0.904 -3.507 1.00 0.00 H new ATOM 0 HE3 MET A 14 5.786 -1.100 -2.246 1.00 0.00 H new ATOM 217 N ASP A 15 2.155 4.226 -5.542 1.00 0.00 N ATOM 218 CA ASP A 15 0.993 4.834 -6.168 1.00 0.00 C ATOM 219 C ASP A 15 1.378 5.354 -7.554 1.00 0.00 C ATOM 220 O ASP A 15 1.885 6.467 -7.683 1.00 0.00 O ATOM 221 CB ASP A 15 0.479 6.015 -5.345 1.00 0.00 C ATOM 222 CG ASP A 15 -0.561 6.891 -6.049 1.00 0.00 C ATOM 223 OD1 ASP A 15 -1.603 6.326 -6.445 1.00 0.00 O ATOM 224 OD2 ASP A 15 -0.289 8.104 -6.174 1.00 0.00 O ATOM 0 H ASP A 15 2.297 4.484 -4.565 1.00 0.00 H new ATOM 0 HA ASP A 15 0.213 4.076 -6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.045 5.633 -4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.327 6.639 -5.064 1.00 0.00 H new ATOM 228 N VAL A 16 1.124 4.524 -8.555 1.00 0.00 N ATOM 229 CA VAL A 16 1.438 4.887 -9.926 1.00 0.00 C ATOM 230 C VAL A 16 0.143 4.979 -10.735 1.00 0.00 C ATOM 231 O VAL A 16 0.023 5.816 -11.628 1.00 0.00 O ATOM 232 CB VAL A 16 2.441 3.891 -10.514 1.00 0.00 C ATOM 233 CG1 VAL A 16 1.785 2.530 -10.755 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.064 4.436 -11.801 1.00 0.00 C ATOM 0 H VAL A 16 0.704 3.601 -8.444 1.00 0.00 H new ATOM 0 HA VAL A 16 1.913 5.867 -9.962 1.00 0.00 H new ATOM 0 HB VAL A 16 3.241 3.752 -9.787 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.519 1.841 -11.173 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.412 2.134 -9.811 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.956 2.644 -11.453 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.773 3.709 -12.198 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.280 4.618 -12.536 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.584 5.370 -11.587 1.00 0.00 H new ATOM 244 N ASP A 17 -0.793 4.107 -10.393 1.00 0.00 N ATOM 245 CA ASP A 17 -2.076 4.079 -11.076 1.00 0.00 C ATOM 246 C ASP A 17 -2.534 5.512 -11.349 1.00 0.00 C ATOM 247 O ASP A 17 -2.726 5.897 -12.501 1.00 0.00 O ATOM 248 CB ASP A 17 -3.143 3.397 -10.217 1.00 0.00 C ATOM 249 CG ASP A 17 -4.575 3.531 -10.738 1.00 0.00 C ATOM 250 OD1 ASP A 17 -5.008 4.690 -10.915 1.00 0.00 O ATOM 251 OD2 ASP A 17 -5.204 2.472 -10.947 1.00 0.00 O ATOM 0 H ASP A 17 -0.689 3.414 -9.652 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.951 3.523 -12.005 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.900 2.338 -10.135 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.098 3.813 -9.210 1.00 0.00 H new ATOM 255 N GLY A 18 -2.696 6.264 -10.270 1.00 0.00 N ATOM 256 CA GLY A 18 -3.127 7.648 -10.380 1.00 0.00 C ATOM 257 C GLY A 18 -4.404 7.888 -9.571 1.00 0.00 C ATOM 258 O GLY A 18 -5.498 7.934 -10.131 1.00 0.00 O ATOM 0 H GLY A 18 -2.537 5.941 -9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.337 8.309 -10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.303 7.896 -11.427 1.00 0.00 H new ATOM 262 N ASP A 19 -4.221 8.036 -8.267 1.00 0.00 N ATOM 263 CA ASP A 19 -5.346 8.270 -7.376 1.00 0.00 C ATOM 264 C ASP A 19 -4.830 8.834 -6.051 1.00 0.00 C ATOM 265 O ASP A 19 -5.382 9.800 -5.526 1.00 0.00 O ATOM 266 CB ASP A 19 -6.093 6.970 -7.078 1.00 0.00 C ATOM 267 CG ASP A 19 -6.115 5.958 -8.225 1.00 0.00 C ATOM 268 OD1 ASP A 19 -5.146 5.173 -8.308 1.00 0.00 O ATOM 269 OD2 ASP A 19 -7.099 5.993 -8.994 1.00 0.00 O ATOM 0 H ASP A 19 -3.312 7.999 -7.806 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.024 8.970 -7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.638 6.499 -6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.121 7.213 -6.808 1.00 0.00 H new ATOM 273 N GLY A 20 -3.779 8.206 -5.546 1.00 0.00 N ATOM 274 CA GLY A 20 -3.183 8.633 -4.291 1.00 0.00 C ATOM 275 C GLY A 20 -3.354 7.563 -3.210 1.00 0.00 C ATOM 276 O GLY A 20 -2.649 7.575 -2.202 1.00 0.00 O ATOM 0 H GLY A 20 -3.324 7.404 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.123 8.839 -4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.646 9.564 -3.963 1.00 0.00 H new ATOM 280 N LYS A 21 -4.295 6.662 -3.458 1.00 0.00 N ATOM 281 CA LYS A 21 -4.568 5.588 -2.519 1.00 0.00 C ATOM 282 C LYS A 21 -3.835 4.323 -2.971 1.00 0.00 C ATOM 283 O LYS A 21 -3.548 4.157 -4.156 1.00 0.00 O ATOM 284 CB LYS A 21 -6.076 5.397 -2.347 1.00 0.00 C ATOM 285 CG LYS A 21 -6.754 5.141 -3.695 1.00 0.00 C ATOM 286 CD LYS A 21 -7.855 6.169 -3.960 1.00 0.00 C ATOM 287 CE LYS A 21 -7.279 7.585 -4.028 1.00 0.00 C ATOM 288 NZ LYS A 21 -8.358 8.574 -4.241 1.00 0.00 N ATOM 0 H LYS A 21 -4.877 6.655 -4.296 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.188 5.841 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.266 4.560 -1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.508 6.283 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.012 5.184 -4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.178 4.137 -3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.360 5.933 -4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.605 6.115 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.747 7.812 -3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.553 7.650 -4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.950 9.529 -4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.848 8.366 -5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.036 8.523 -3.454 1.00 0.00 H new ATOM 298 N LEU A 22 -3.553 3.463 -2.003 1.00 0.00 N ATOM 299 CA LEU A 22 -2.859 2.218 -2.287 1.00 0.00 C ATOM 300 C LEU A 22 -3.884 1.096 -2.459 1.00 0.00 C ATOM 301 O LEU A 22 -4.263 0.442 -1.487 1.00 0.00 O ATOM 302 CB LEU A 22 -1.809 1.933 -1.212 1.00 0.00 C ATOM 303 CG LEU A 22 -0.566 1.171 -1.675 1.00 0.00 C ATOM 304 CD1 LEU A 22 -0.013 1.761 -2.973 1.00 0.00 C ATOM 305 CD2 LEU A 22 0.492 1.124 -0.570 1.00 0.00 C ATOM 0 H LEU A 22 -3.792 3.604 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.309 2.294 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.490 2.883 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.282 1.365 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.856 0.142 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.870 1.201 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.772 1.699 -3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.257 2.805 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.365 0.577 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.784 2.139 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.081 0.622 0.306 1.00 0.00 H new ATOM 316 N THR A 23 -4.307 0.907 -3.701 1.00 0.00 N ATOM 317 CA THR A 23 -5.281 -0.124 -4.011 1.00 0.00 C ATOM 318 C THR A 23 -4.574 -1.420 -4.417 1.00 0.00 C ATOM 319 O THR A 23 -3.398 -1.404 -4.772 1.00 0.00 O ATOM 320 CB THR A 23 -6.218 0.419 -5.091 1.00 0.00 C ATOM 321 OG1 THR A 23 -5.554 0.113 -6.314 1.00 0.00 O ATOM 322 CG2 THR A 23 -6.296 1.948 -5.083 1.00 0.00 C ATOM 0 H THR A 23 -3.992 1.451 -4.504 1.00 0.00 H new ATOM 0 HA THR A 23 -5.881 -0.376 -3.137 1.00 0.00 H new ATOM 0 HB THR A 23 -7.215 0.003 -4.948 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.094 0.430 -7.068 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.974 2.282 -5.868 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.666 2.288 -4.116 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.304 2.364 -5.259 1.00 0.00 H new ATOM 330 N LYS A 24 -5.324 -2.511 -4.349 1.00 0.00 N ATOM 331 CA LYS A 24 -4.785 -3.812 -4.704 1.00 0.00 C ATOM 332 C LYS A 24 -4.293 -3.777 -6.153 1.00 0.00 C ATOM 333 O LYS A 24 -3.096 -3.901 -6.409 1.00 0.00 O ATOM 334 CB LYS A 24 -5.813 -4.912 -4.430 1.00 0.00 C ATOM 335 CG LYS A 24 -5.132 -6.272 -4.271 1.00 0.00 C ATOM 336 CD LYS A 24 -6.154 -7.409 -4.343 1.00 0.00 C ATOM 337 CE LYS A 24 -6.246 -7.974 -5.763 1.00 0.00 C ATOM 338 NZ LYS A 24 -7.550 -7.632 -6.373 1.00 0.00 N ATOM 0 H LYS A 24 -6.300 -2.520 -4.053 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.924 -4.051 -4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.373 -4.674 -3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.532 -4.955 -5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.383 -6.401 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.607 -6.310 -3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.871 -8.201 -3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.132 -7.044 -4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.436 -7.574 -6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.122 -9.057 -5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.596 -8.023 -7.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.318 -8.035 -5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.654 -6.598 -6.414 1.00 0.00 H new ATOM 348 N GLU A 25 -5.241 -3.609 -7.062 1.00 0.00 N ATOM 349 CA GLU A 25 -4.920 -3.557 -8.478 1.00 0.00 C ATOM 350 C GLU A 25 -3.630 -2.765 -8.700 1.00 0.00 C ATOM 351 O GLU A 25 -2.694 -3.259 -9.328 1.00 0.00 O ATOM 352 CB GLU A 25 -6.076 -2.959 -9.281 1.00 0.00 C ATOM 353 CG GLU A 25 -6.981 -4.057 -9.841 1.00 0.00 C ATOM 354 CD GLU A 25 -8.406 -3.540 -10.051 1.00 0.00 C ATOM 355 OE1 GLU A 25 -9.196 -3.649 -9.088 1.00 0.00 O ATOM 356 OE2 GLU A 25 -8.673 -3.048 -11.168 1.00 0.00 O ATOM 0 H GLU A 25 -6.233 -3.507 -6.846 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.764 -4.576 -8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.658 -2.292 -8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.682 -2.356 -10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.578 -4.418 -10.787 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.995 -4.905 -9.157 1.00 0.00 H new ATOM 361 N GLU A 26 -3.621 -1.550 -8.173 1.00 0.00 N ATOM 362 CA GLU A 26 -2.461 -0.685 -8.306 1.00 0.00 C ATOM 363 C GLU A 26 -1.247 -1.316 -7.621 1.00 0.00 C ATOM 364 O GLU A 26 -0.122 -1.189 -8.103 1.00 0.00 O ATOM 365 CB GLU A 26 -2.748 0.708 -7.740 1.00 0.00 C ATOM 366 CG GLU A 26 -1.541 1.631 -7.920 1.00 0.00 C ATOM 367 CD GLU A 26 -1.825 3.021 -7.347 1.00 0.00 C ATOM 368 OE1 GLU A 26 -2.651 3.092 -6.411 1.00 0.00 O ATOM 369 OE2 GLU A 26 -1.209 3.982 -7.857 1.00 0.00 O ATOM 0 H GLU A 26 -4.399 -1.144 -7.653 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.237 -0.571 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.616 1.136 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.997 0.631 -6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.671 1.200 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.296 1.713 -8.979 1.00 0.00 H new ATOM 374 N VAL A 27 -1.516 -1.981 -6.507 1.00 0.00 N ATOM 375 CA VAL A 27 -0.459 -2.633 -5.751 1.00 0.00 C ATOM 376 C VAL A 27 0.090 -3.809 -6.560 1.00 0.00 C ATOM 377 O VAL A 27 1.216 -3.755 -7.053 1.00 0.00 O ATOM 378 CB VAL A 27 -0.981 -3.047 -4.374 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.403 -4.399 -3.953 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.678 -1.972 -3.327 1.00 0.00 C ATOM 0 H VAL A 27 -2.450 -2.083 -6.110 1.00 0.00 H new ATOM 0 HA VAL A 27 0.368 -1.944 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.064 -3.152 -4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.790 -4.670 -2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.691 -5.160 -4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.684 -4.332 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.060 -2.291 -2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.400 -1.821 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.158 -1.037 -3.616 1.00 0.00 H new ATOM 390 N THR A 28 -0.729 -4.843 -6.673 1.00 0.00 N ATOM 391 CA THR A 28 -0.339 -6.030 -7.413 1.00 0.00 C ATOM 392 C THR A 28 0.358 -5.640 -8.719 1.00 0.00 C ATOM 393 O THR A 28 1.262 -6.336 -9.176 1.00 0.00 O ATOM 394 CB THR A 28 -1.588 -6.888 -7.625 1.00 0.00 C ATOM 395 OG1 THR A 28 -1.892 -7.386 -6.325 1.00 0.00 O ATOM 396 CG2 THR A 28 -1.303 -8.146 -8.449 1.00 0.00 C ATOM 0 H THR A 28 -1.662 -4.883 -6.264 1.00 0.00 H new ATOM 0 HA THR A 28 0.388 -6.621 -6.856 1.00 0.00 H new ATOM 0 HB THR A 28 -2.355 -6.295 -8.123 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.691 -7.952 -6.370 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.223 -8.718 -8.569 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.923 -7.860 -9.430 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.560 -8.757 -7.936 1.00 0.00 H new ATOM 404 N SER A 29 -0.091 -4.527 -9.281 1.00 0.00 N ATOM 405 CA SER A 29 0.478 -4.035 -10.525 1.00 0.00 C ATOM 406 C SER A 29 1.945 -3.655 -10.314 1.00 0.00 C ATOM 407 O SER A 29 2.830 -4.182 -10.986 1.00 0.00 O ATOM 408 CB SER A 29 -0.310 -2.836 -11.054 1.00 0.00 C ATOM 409 OG SER A 29 0.140 -2.429 -12.343 1.00 0.00 O ATOM 0 H SER A 29 -0.842 -3.952 -8.898 1.00 0.00 H new ATOM 0 HA SER A 29 0.418 -4.831 -11.268 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.369 -3.091 -11.103 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.215 -2.003 -10.357 1.00 0.00 H new ATOM 0 HG SER A 29 -0.389 -1.662 -12.647 1.00 0.00 H new ATOM 414 N PHE A 30 2.159 -2.741 -9.378 1.00 0.00 N ATOM 415 CA PHE A 30 3.503 -2.284 -9.071 1.00 0.00 C ATOM 416 C PHE A 30 4.278 -3.346 -8.290 1.00 0.00 C ATOM 417 O PHE A 30 5.496 -3.456 -8.426 1.00 0.00 O ATOM 418 CB PHE A 30 3.362 -1.032 -8.203 1.00 0.00 C ATOM 419 CG PHE A 30 4.515 -0.038 -8.353 1.00 0.00 C ATOM 420 CD1 PHE A 30 5.774 -0.396 -7.982 1.00 0.00 C ATOM 421 CD2 PHE A 30 4.282 1.204 -8.856 1.00 0.00 C ATOM 422 CE1 PHE A 30 6.845 0.527 -8.121 1.00 0.00 C ATOM 423 CE2 PHE A 30 5.352 2.127 -8.995 1.00 0.00 C ATOM 424 CZ PHE A 30 6.611 1.768 -8.625 1.00 0.00 C ATOM 0 H PHE A 30 1.423 -2.305 -8.822 1.00 0.00 H new ATOM 0 HA PHE A 30 4.047 -2.081 -9.994 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.428 -0.530 -8.456 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.289 -1.333 -7.158 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.959 -1.382 -7.582 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.282 1.488 -9.150 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.845 0.243 -7.827 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.167 3.113 -9.394 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.425 2.469 -8.732 1.00 0.00 H new ATOM 433 N PHE A 31 3.541 -4.104 -7.490 1.00 0.00 N ATOM 434 CA PHE A 31 4.145 -5.154 -6.688 1.00 0.00 C ATOM 435 C PHE A 31 4.395 -6.409 -7.526 1.00 0.00 C ATOM 436 O PHE A 31 5.184 -7.270 -7.141 1.00 0.00 O ATOM 437 CB PHE A 31 3.154 -5.489 -5.572 1.00 0.00 C ATOM 438 CG PHE A 31 3.277 -4.591 -4.339 1.00 0.00 C ATOM 439 CD1 PHE A 31 2.682 -3.368 -4.327 1.00 0.00 C ATOM 440 CD2 PHE A 31 3.980 -5.016 -3.256 1.00 0.00 C ATOM 441 CE1 PHE A 31 2.796 -2.534 -3.183 1.00 0.00 C ATOM 442 CE2 PHE A 31 4.094 -4.182 -2.112 1.00 0.00 C ATOM 443 CZ PHE A 31 3.500 -2.959 -2.100 1.00 0.00 C ATOM 0 H PHE A 31 2.531 -4.011 -7.381 1.00 0.00 H new ATOM 0 HA PHE A 31 5.104 -4.817 -6.294 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.140 -5.412 -5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.300 -6.526 -5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.123 -3.031 -5.187 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.452 -5.988 -3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.324 -1.563 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.653 -4.519 -1.251 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.587 -2.325 -1.230 1.00 0.00 H new ATOM 452 N LYS A 32 3.708 -6.473 -8.658 1.00 0.00 N ATOM 453 CA LYS A 32 3.845 -7.608 -9.554 1.00 0.00 C ATOM 454 C LYS A 32 5.313 -8.040 -9.600 1.00 0.00 C ATOM 455 O LYS A 32 5.611 -9.220 -9.786 1.00 0.00 O ATOM 456 CB LYS A 32 3.258 -7.281 -10.928 1.00 0.00 C ATOM 457 CG LYS A 32 3.799 -8.233 -11.997 1.00 0.00 C ATOM 458 CD LYS A 32 4.814 -7.525 -12.897 1.00 0.00 C ATOM 459 CE LYS A 32 4.302 -7.437 -14.336 1.00 0.00 C ATOM 460 NZ LYS A 32 3.386 -6.285 -14.490 1.00 0.00 N ATOM 0 H LYS A 32 3.055 -5.756 -8.975 1.00 0.00 H new ATOM 0 HA LYS A 32 3.272 -8.458 -9.183 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.171 -7.352 -10.889 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.501 -6.253 -11.196 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.268 -9.093 -11.519 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.975 -8.614 -12.601 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.008 -6.523 -12.514 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.762 -8.063 -12.876 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.143 -7.335 -15.022 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.784 -8.359 -14.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.047 -6.240 -15.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.575 -6.398 -13.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.891 -5.406 -14.257 1.00 0.00 H new ATOM 470 N LYS A 33 6.191 -7.063 -9.426 1.00 0.00 N ATOM 471 CA LYS A 33 7.618 -7.328 -9.446 1.00 0.00 C ATOM 472 C LYS A 33 8.102 -7.602 -8.021 1.00 0.00 C ATOM 473 O LYS A 33 8.899 -8.513 -7.796 1.00 0.00 O ATOM 474 CB LYS A 33 8.366 -6.188 -10.141 1.00 0.00 C ATOM 475 CG LYS A 33 8.704 -6.553 -11.587 1.00 0.00 C ATOM 476 CD LYS A 33 8.391 -5.392 -12.534 1.00 0.00 C ATOM 477 CE LYS A 33 9.652 -4.581 -12.839 1.00 0.00 C ATOM 478 NZ LYS A 33 9.998 -4.681 -14.276 1.00 0.00 N ATOM 0 H LYS A 33 5.941 -6.087 -9.271 1.00 0.00 H new ATOM 0 HA LYS A 33 7.831 -8.222 -10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.756 -5.285 -10.124 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.283 -5.964 -9.595 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.760 -6.814 -11.663 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.136 -7.434 -11.886 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.969 -5.778 -13.462 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.637 -4.745 -12.086 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.494 -3.537 -12.569 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.481 -4.945 -12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.856 -4.125 -14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.169 -5.677 -14.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.212 -4.312 -14.849 1.00 0.00 H new ATOM 488 N HIS A 34 7.600 -6.798 -7.095 1.00 0.00 N ATOM 489 CA HIS A 34 7.971 -6.942 -5.698 1.00 0.00 C ATOM 490 C HIS A 34 7.452 -8.279 -5.165 1.00 0.00 C ATOM 491 O HIS A 34 7.749 -9.332 -5.728 1.00 0.00 O ATOM 492 CB HIS A 34 7.479 -5.747 -4.879 1.00 0.00 C ATOM 493 CG HIS A 34 8.036 -4.419 -5.334 1.00 0.00 C ATOM 494 ND1 HIS A 34 8.775 -3.593 -4.505 1.00 0.00 N ATOM 495 CD2 HIS A 34 7.956 -3.785 -6.539 1.00 0.00 C ATOM 496 CE1 HIS A 34 9.119 -2.512 -5.191 1.00 0.00 C ATOM 497 NE2 HIS A 34 8.609 -2.633 -6.450 1.00 0.00 N ATOM 0 H HIS A 34 6.939 -6.045 -7.285 1.00 0.00 H new ATOM 0 HA HIS A 34 9.057 -6.950 -5.605 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.391 -5.709 -4.929 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.745 -5.902 -3.833 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.448 -4.157 -7.416 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.701 -1.682 -4.818 1.00 0.00 H new ATOM 0 HE2 HIS A 34 8.712 -1.950 -7.200 1.00 0.00 H new ATOM 504 N GLY A 35 6.688 -8.194 -4.086 1.00 0.00 N ATOM 505 CA GLY A 35 6.126 -9.385 -3.471 1.00 0.00 C ATOM 506 C GLY A 35 4.612 -9.448 -3.682 1.00 0.00 C ATOM 507 O GLY A 35 3.865 -9.761 -2.757 1.00 0.00 O ATOM 0 H GLY A 35 6.445 -7.319 -3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.593 -10.273 -3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.349 -9.387 -2.404 1.00 0.00 H new ATOM 511 N ILE A 36 4.204 -9.145 -4.906 1.00 0.00 N ATOM 512 CA ILE A 36 2.793 -9.165 -5.251 1.00 0.00 C ATOM 513 C ILE A 36 2.105 -10.308 -4.502 1.00 0.00 C ATOM 514 O ILE A 36 0.935 -10.200 -4.135 1.00 0.00 O ATOM 515 CB ILE A 36 2.613 -9.227 -6.768 1.00 0.00 C ATOM 516 CG1 ILE A 36 1.143 -9.439 -7.138 1.00 0.00 C ATOM 517 CG2 ILE A 36 3.519 -10.295 -7.385 1.00 0.00 C ATOM 518 CD1 ILE A 36 0.714 -10.883 -6.870 1.00 0.00 C ATOM 0 H ILE A 36 4.826 -8.884 -5.671 1.00 0.00 H new ATOM 0 HA ILE A 36 2.310 -8.240 -4.934 1.00 0.00 H new ATOM 0 HB ILE A 36 2.915 -8.267 -7.187 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.517 -8.757 -6.562 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.991 -9.200 -8.190 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.371 -10.318 -8.465 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.560 -10.059 -7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.272 -11.269 -6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.334 -11.007 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.326 -11.561 -7.465 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.845 -11.111 -5.812 1.00 0.00 H new ATOM 529 N GLU A 37 2.860 -11.377 -4.297 1.00 0.00 N ATOM 530 CA GLU A 37 2.337 -12.539 -3.599 1.00 0.00 C ATOM 531 C GLU A 37 2.259 -12.266 -2.096 1.00 0.00 C ATOM 532 O GLU A 37 1.172 -12.235 -1.522 1.00 0.00 O ATOM 533 CB GLU A 37 3.186 -13.779 -3.887 1.00 0.00 C ATOM 534 CG GLU A 37 3.016 -14.235 -5.337 1.00 0.00 C ATOM 535 CD GLU A 37 4.116 -15.221 -5.735 1.00 0.00 C ATOM 536 OE1 GLU A 37 5.240 -14.740 -6.001 1.00 0.00 O ATOM 537 OE2 GLU A 37 3.811 -16.432 -5.764 1.00 0.00 O ATOM 0 H GLU A 37 3.830 -11.463 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 37 1.329 -12.735 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.236 -13.559 -3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.899 -14.585 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.040 -14.704 -5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.041 -13.370 -5.999 1.00 0.00 H new ATOM 542 N LYS A 38 3.428 -12.072 -1.501 1.00 0.00 N ATOM 543 CA LYS A 38 3.506 -11.802 -0.076 1.00 0.00 C ATOM 544 C LYS A 38 2.596 -10.619 0.265 1.00 0.00 C ATOM 545 O LYS A 38 1.895 -10.642 1.277 1.00 0.00 O ATOM 546 CB LYS A 38 4.960 -11.601 0.353 1.00 0.00 C ATOM 547 CG LYS A 38 5.063 -11.394 1.865 1.00 0.00 C ATOM 548 CD LYS A 38 6.019 -12.412 2.494 1.00 0.00 C ATOM 549 CE LYS A 38 7.400 -11.796 2.726 1.00 0.00 C ATOM 550 NZ LYS A 38 8.222 -11.891 1.499 1.00 0.00 N ATOM 0 H LYS A 38 4.328 -12.097 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 38 3.145 -12.658 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.552 -12.468 0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.380 -10.739 -0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.413 -10.383 2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.076 -11.489 2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.610 -12.764 3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.109 -13.282 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.294 -10.752 3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.901 -12.309 3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.156 -11.468 1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.338 -12.890 1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.750 -11.381 0.725 1.00 0.00 H new ATOM 560 N VAL A 39 2.635 -9.615 -0.598 1.00 0.00 N ATOM 561 CA VAL A 39 1.824 -8.426 -0.401 1.00 0.00 C ATOM 562 C VAL A 39 0.348 -8.783 -0.600 1.00 0.00 C ATOM 563 O VAL A 39 -0.511 -8.324 0.150 1.00 0.00 O ATOM 564 CB VAL A 39 2.298 -7.308 -1.331 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.661 -7.439 -2.716 1.00 0.00 C ATOM 566 CG2 VAL A 39 2.014 -5.932 -0.724 1.00 0.00 C ATOM 0 H VAL A 39 3.216 -9.600 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 39 1.935 -8.052 0.617 1.00 0.00 H new ATOM 0 HB VAL A 39 3.377 -7.406 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.015 -6.632 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.937 -8.398 -3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.576 -7.381 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.361 -5.155 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.942 -5.820 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.537 -5.839 0.228 1.00 0.00 H new ATOM 576 N ALA A 40 0.102 -9.598 -1.614 1.00 0.00 N ATOM 577 CA ALA A 40 -1.255 -10.022 -1.921 1.00 0.00 C ATOM 578 C ALA A 40 -1.909 -10.578 -0.655 1.00 0.00 C ATOM 579 O ALA A 40 -3.099 -10.366 -0.422 1.00 0.00 O ATOM 580 CB ALA A 40 -1.226 -11.044 -3.060 1.00 0.00 C ATOM 0 H ALA A 40 0.818 -9.977 -2.234 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.855 -9.176 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.243 -11.362 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.779 -10.590 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.635 -11.909 -2.758 1.00 0.00 H new ATOM 586 N GLU A 41 -1.104 -11.278 0.130 1.00 0.00 N ATOM 587 CA GLU A 41 -1.590 -11.866 1.368 1.00 0.00 C ATOM 588 C GLU A 41 -1.724 -10.792 2.449 1.00 0.00 C ATOM 589 O GLU A 41 -2.719 -10.755 3.171 1.00 0.00 O ATOM 590 CB GLU A 41 -0.675 -13.001 1.831 1.00 0.00 C ATOM 591 CG GLU A 41 -1.437 -13.991 2.715 1.00 0.00 C ATOM 592 CD GLU A 41 -0.790 -15.377 2.668 1.00 0.00 C ATOM 593 OE1 GLU A 41 0.450 -15.420 2.507 1.00 0.00 O ATOM 594 OE2 GLU A 41 -1.548 -16.362 2.796 1.00 0.00 O ATOM 0 H GLU A 41 -0.118 -11.452 -0.066 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.576 -12.292 1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.267 -13.521 0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.170 -12.590 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.454 -13.628 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.473 -14.058 2.383 1.00 0.00 H new ATOM 599 N GLN A 42 -0.708 -9.945 2.525 1.00 0.00 N ATOM 600 CA GLN A 42 -0.699 -8.873 3.506 1.00 0.00 C ATOM 601 C GLN A 42 -1.852 -7.902 3.242 1.00 0.00 C ATOM 602 O GLN A 42 -2.562 -7.509 4.167 1.00 0.00 O ATOM 603 CB GLN A 42 0.644 -8.142 3.508 1.00 0.00 C ATOM 604 CG GLN A 42 1.752 -9.031 4.076 1.00 0.00 C ATOM 605 CD GLN A 42 3.071 -8.263 4.185 1.00 0.00 C ATOM 606 OE1 GLN A 42 3.225 -7.169 3.667 1.00 0.00 O ATOM 607 NE2 GLN A 42 4.009 -8.895 4.884 1.00 0.00 N ATOM 0 H GLN A 42 0.115 -9.979 1.923 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.838 -9.311 4.495 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.900 -7.841 2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.565 -7.230 4.100 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.459 -9.399 5.059 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.887 -9.903 3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.813 -9.810 5.291 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.925 -8.465 5.014 1.00 0.00 H new ATOM 614 N VAL A 43 -2.003 -7.544 1.975 1.00 0.00 N ATOM 615 CA VAL A 43 -3.058 -6.627 1.578 1.00 0.00 C ATOM 616 C VAL A 43 -4.418 -7.267 1.859 1.00 0.00 C ATOM 617 O VAL A 43 -5.331 -6.605 2.350 1.00 0.00 O ATOM 618 CB VAL A 43 -2.877 -6.226 0.112 1.00 0.00 C ATOM 619 CG1 VAL A 43 -1.570 -5.458 -0.090 1.00 0.00 C ATOM 620 CG2 VAL A 43 -2.940 -7.451 -0.803 1.00 0.00 C ATOM 0 H VAL A 43 -1.413 -7.872 1.211 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.005 -5.708 2.162 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.699 -5.563 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.467 -5.185 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.581 -4.555 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.730 -6.086 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.809 -7.138 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.148 -8.149 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.908 -7.939 -0.691 1.00 0.00 H new ATOM 630 N MET A 44 -4.511 -8.549 1.536 1.00 0.00 N ATOM 631 CA MET A 44 -5.745 -9.287 1.749 1.00 0.00 C ATOM 632 C MET A 44 -6.201 -9.186 3.206 1.00 0.00 C ATOM 633 O MET A 44 -7.374 -8.934 3.477 1.00 0.00 O ATOM 634 CB MET A 44 -5.532 -10.757 1.380 1.00 0.00 C ATOM 635 CG MET A 44 -6.469 -11.180 0.248 1.00 0.00 C ATOM 636 SD MET A 44 -5.659 -10.967 -1.328 1.00 0.00 S ATOM 637 CE MET A 44 -4.781 -12.518 -1.437 1.00 0.00 C ATOM 0 H MET A 44 -3.752 -9.095 1.128 1.00 0.00 H new ATOM 0 HA MET A 44 -6.519 -8.853 1.116 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.497 -10.913 1.077 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.706 -11.384 2.254 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.762 -12.222 0.378 1.00 0.00 H new ATOM 0 HG3 MET A 44 -7.382 -10.586 0.280 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.096 -12.489 -2.284 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.216 -12.682 -0.519 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.494 -13.331 -1.574 1.00 0.00 H new ATOM 645 N LYS A 45 -5.249 -9.389 4.105 1.00 0.00 N ATOM 646 CA LYS A 45 -5.537 -9.324 5.528 1.00 0.00 C ATOM 647 C LYS A 45 -5.611 -7.859 5.962 1.00 0.00 C ATOM 648 O LYS A 45 -6.184 -7.545 7.004 1.00 0.00 O ATOM 649 CB LYS A 45 -4.521 -10.150 6.318 1.00 0.00 C ATOM 650 CG LYS A 45 -4.744 -11.648 6.100 1.00 0.00 C ATOM 651 CD LYS A 45 -3.416 -12.407 6.110 1.00 0.00 C ATOM 652 CE LYS A 45 -3.646 -13.915 6.243 1.00 0.00 C ATOM 653 NZ LYS A 45 -2.355 -14.638 6.239 1.00 0.00 N ATOM 0 H LYS A 45 -4.277 -9.599 3.876 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.509 -9.769 5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.510 -9.881 6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.604 -9.917 7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.397 -12.039 6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.252 -11.809 5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.867 -12.199 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.799 -12.056 6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.185 -14.127 7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.270 -14.268 5.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.433 -15.484 5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.610 -14.016 5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.113 -14.922 7.210 1.00 0.00 H new ATOM 663 N ALA A 46 -5.022 -7.001 5.142 1.00 0.00 N ATOM 664 CA ALA A 46 -5.013 -5.577 5.429 1.00 0.00 C ATOM 665 C ALA A 46 -6.379 -4.983 5.080 1.00 0.00 C ATOM 666 O ALA A 46 -6.997 -4.311 5.906 1.00 0.00 O ATOM 667 CB ALA A 46 -3.873 -4.908 4.659 1.00 0.00 C ATOM 0 H ALA A 46 -4.547 -7.265 4.279 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.837 -5.400 6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.866 -3.840 4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.922 -5.346 4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.017 -5.062 3.590 1.00 0.00 H new ATOM 673 N ASP A 47 -6.811 -5.252 3.858 1.00 0.00 N ATOM 674 CA ASP A 47 -8.093 -4.751 3.390 1.00 0.00 C ATOM 675 C ASP A 47 -9.205 -5.281 4.299 1.00 0.00 C ATOM 676 O ASP A 47 -10.177 -4.579 4.570 1.00 0.00 O ATOM 677 CB ASP A 47 -8.382 -5.224 1.964 1.00 0.00 C ATOM 678 CG ASP A 47 -9.052 -4.186 1.061 1.00 0.00 C ATOM 679 OD1 ASP A 47 -9.162 -3.027 1.515 1.00 0.00 O ATOM 680 OD2 ASP A 47 -9.439 -4.576 -0.061 1.00 0.00 O ATOM 0 H ASP A 47 -6.297 -5.810 3.177 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.057 -3.662 3.408 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.444 -5.533 1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.020 -6.107 2.012 1.00 0.00 H new ATOM 684 N ALA A 48 -9.023 -6.517 4.743 1.00 0.00 N ATOM 685 CA ALA A 48 -9.998 -7.149 5.615 1.00 0.00 C ATOM 686 C ALA A 48 -11.291 -7.392 4.834 1.00 0.00 C ATOM 687 O ALA A 48 -11.587 -8.523 4.453 1.00 0.00 O ATOM 688 CB ALA A 48 -10.220 -6.275 6.851 1.00 0.00 C ATOM 0 H ALA A 48 -8.215 -7.097 4.515 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.634 -8.116 5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.952 -6.749 7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.278 -6.156 7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.589 -5.297 6.543 1.00 0.00 H new ATOM 694 N ASN A 49 -12.028 -6.311 4.619 1.00 0.00 N ATOM 695 CA ASN A 49 -13.282 -6.393 3.892 1.00 0.00 C ATOM 696 C ASN A 49 -13.004 -6.821 2.449 1.00 0.00 C ATOM 697 O ASN A 49 -13.817 -7.508 1.832 1.00 0.00 O ATOM 698 CB ASN A 49 -13.987 -5.037 3.854 1.00 0.00 C ATOM 699 CG ASN A 49 -15.385 -5.127 4.470 1.00 0.00 C ATOM 700 OD1 ASN A 49 -15.563 -5.504 5.616 1.00 0.00 O ATOM 701 ND2 ASN A 49 -16.363 -4.762 3.647 1.00 0.00 N ATOM 0 H ASN A 49 -11.779 -5.374 4.936 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.919 -7.117 4.401 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.394 -4.300 4.395 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.062 -4.691 2.823 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.332 -4.788 3.964 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.144 -4.456 2.699 1.00 0.00 H new ATOM 707 N GLY A 50 -11.850 -6.397 1.953 1.00 0.00 N ATOM 708 CA GLY A 50 -11.454 -6.728 0.595 1.00 0.00 C ATOM 709 C GLY A 50 -12.177 -5.839 -0.419 1.00 0.00 C ATOM 710 O GLY A 50 -12.924 -6.335 -1.262 1.00 0.00 O ATOM 0 H GLY A 50 -11.178 -5.828 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.376 -6.607 0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.679 -7.775 0.392 1.00 0.00 H new ATOM 714 N ASP A 51 -11.930 -4.543 -0.304 1.00 0.00 N ATOM 715 CA ASP A 51 -12.549 -3.581 -1.201 1.00 0.00 C ATOM 716 C ASP A 51 -12.238 -2.164 -0.714 1.00 0.00 C ATOM 717 O ASP A 51 -13.139 -1.339 -0.578 1.00 0.00 O ATOM 718 CB ASP A 51 -14.069 -3.749 -1.225 1.00 0.00 C ATOM 719 CG ASP A 51 -14.826 -2.673 -2.006 1.00 0.00 C ATOM 720 OD1 ASP A 51 -14.169 -2.003 -2.831 1.00 0.00 O ATOM 721 OD2 ASP A 51 -16.045 -2.545 -1.759 1.00 0.00 O ATOM 0 H ASP A 51 -11.310 -4.136 0.396 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.152 -3.749 -2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.305 -4.722 -1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.435 -3.757 -0.198 1.00 0.00 H new ATOM 725 N GLY A 52 -10.958 -1.925 -0.466 1.00 0.00 N ATOM 726 CA GLY A 52 -10.517 -0.623 0.003 1.00 0.00 C ATOM 727 C GLY A 52 -9.010 -0.447 -0.202 1.00 0.00 C ATOM 728 O GLY A 52 -8.247 -1.401 -0.064 1.00 0.00 O ATOM 0 H GLY A 52 -10.213 -2.612 -0.581 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.054 0.161 -0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.759 -0.512 1.060 1.00 0.00 H new ATOM 732 N TYR A 53 -8.629 0.779 -0.527 1.00 0.00 N ATOM 733 CA TYR A 53 -7.227 1.090 -0.753 1.00 0.00 C ATOM 734 C TYR A 53 -6.600 1.722 0.491 1.00 0.00 C ATOM 735 O TYR A 53 -7.309 2.124 1.413 1.00 0.00 O ATOM 736 CB TYR A 53 -7.201 2.108 -1.895 1.00 0.00 C ATOM 737 CG TYR A 53 -8.283 3.185 -1.795 1.00 0.00 C ATOM 738 CD1 TYR A 53 -8.357 3.988 -0.675 1.00 0.00 C ATOM 739 CD2 TYR A 53 -9.186 3.353 -2.825 1.00 0.00 C ATOM 740 CE1 TYR A 53 -9.375 5.001 -0.581 1.00 0.00 C ATOM 741 CE2 TYR A 53 -10.205 4.366 -2.731 1.00 0.00 C ATOM 742 CZ TYR A 53 -10.249 5.140 -1.614 1.00 0.00 C ATOM 743 OH TYR A 53 -11.212 6.098 -1.525 1.00 0.00 O ATOM 0 H TYR A 53 -9.265 1.568 -0.639 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.665 0.186 -0.986 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.224 2.590 -1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.316 1.580 -2.841 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.651 3.856 0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.128 2.725 -3.702 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.443 5.636 0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.918 4.508 -3.530 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.764 6.084 -2.335 1.00 0.00 H new ATOM 752 N ILE A 54 -5.277 1.790 0.477 1.00 0.00 N ATOM 753 CA ILE A 54 -4.545 2.366 1.593 1.00 0.00 C ATOM 754 C ILE A 54 -4.111 3.788 1.234 1.00 0.00 C ATOM 755 O ILE A 54 -3.212 3.978 0.417 1.00 0.00 O ATOM 756 CB ILE A 54 -3.387 1.454 2.003 1.00 0.00 C ATOM 757 CG1 ILE A 54 -3.718 0.687 3.285 1.00 0.00 C ATOM 758 CG2 ILE A 54 -2.084 2.247 2.130 1.00 0.00 C ATOM 759 CD1 ILE A 54 -4.522 -0.578 2.974 1.00 0.00 C ATOM 0 H ILE A 54 -4.693 1.456 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.187 2.441 2.471 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.240 0.715 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.796 0.419 3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.286 1.327 3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.277 1.576 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.844 2.708 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.203 3.023 2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.744 -1.105 3.902 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.454 -0.304 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.941 -1.227 2.319 1.00 0.00 H new ATOM 770 N THR A 55 -4.770 4.751 1.862 1.00 0.00 N ATOM 771 CA THR A 55 -4.464 6.150 1.618 1.00 0.00 C ATOM 772 C THR A 55 -3.542 6.692 2.712 1.00 0.00 C ATOM 773 O THR A 55 -3.660 6.308 3.875 1.00 0.00 O ATOM 774 CB THR A 55 -5.786 6.911 1.505 1.00 0.00 C ATOM 775 OG1 THR A 55 -6.335 6.849 2.819 1.00 0.00 O ATOM 776 CG2 THR A 55 -6.811 6.178 0.638 1.00 0.00 C ATOM 0 H THR A 55 -5.515 4.590 2.540 1.00 0.00 H new ATOM 0 HA THR A 55 -3.918 6.279 0.683 1.00 0.00 H new ATOM 0 HB THR A 55 -5.601 7.901 1.089 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.299 7.022 2.779 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.731 6.761 0.591 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.411 6.049 -0.368 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.023 5.201 1.072 1.00 0.00 H new ATOM 784 N LEU A 56 -2.645 7.577 2.301 1.00 0.00 N ATOM 785 CA LEU A 56 -1.703 8.176 3.232 1.00 0.00 C ATOM 786 C LEU A 56 -2.422 8.489 4.546 1.00 0.00 C ATOM 787 O LEU A 56 -1.864 8.290 5.624 1.00 0.00 O ATOM 788 CB LEU A 56 -1.023 9.391 2.598 1.00 0.00 C ATOM 789 CG LEU A 56 -1.955 10.505 2.114 1.00 0.00 C ATOM 790 CD1 LEU A 56 -2.139 11.573 3.194 1.00 0.00 C ATOM 791 CD2 LEU A 56 -1.457 11.102 0.797 1.00 0.00 C ATOM 0 H LEU A 56 -2.551 7.894 1.336 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.900 7.477 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.330 9.815 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.428 9.049 1.751 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.936 10.070 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.805 12.353 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.571 11.118 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.172 12.010 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.137 11.891 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.460 11.518 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.419 10.323 0.036 1.00 0.00 H new ATOM 802 N GLU A 57 -3.647 8.973 4.413 1.00 0.00 N ATOM 803 CA GLU A 57 -4.447 9.317 5.577 1.00 0.00 C ATOM 804 C GLU A 57 -4.773 8.059 6.385 1.00 0.00 C ATOM 805 O GLU A 57 -4.620 8.044 7.605 1.00 0.00 O ATOM 806 CB GLU A 57 -5.725 10.050 5.166 1.00 0.00 C ATOM 807 CG GLU A 57 -6.570 9.195 4.220 1.00 0.00 C ATOM 808 CD GLU A 57 -7.824 9.949 3.771 1.00 0.00 C ATOM 809 OE1 GLU A 57 -7.687 10.773 2.840 1.00 0.00 O ATOM 810 OE2 GLU A 57 -8.889 9.685 4.368 1.00 0.00 O ATOM 0 H GLU A 57 -4.106 9.136 3.517 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.867 9.991 6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.307 10.299 6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.468 10.991 4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.977 8.917 3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.857 8.270 4.719 1.00 0.00 H new ATOM 815 N GLU A 58 -5.216 7.033 5.673 1.00 0.00 N ATOM 816 CA GLU A 58 -5.566 5.775 6.309 1.00 0.00 C ATOM 817 C GLU A 58 -4.302 5.042 6.763 1.00 0.00 C ATOM 818 O GLU A 58 -4.309 4.363 7.789 1.00 0.00 O ATOM 819 CB GLU A 58 -6.400 4.899 5.372 1.00 0.00 C ATOM 820 CG GLU A 58 -6.808 3.595 6.059 1.00 0.00 C ATOM 821 CD GLU A 58 -8.293 3.298 5.835 1.00 0.00 C ATOM 822 OE1 GLU A 58 -8.735 3.456 4.677 1.00 0.00 O ATOM 823 OE2 GLU A 58 -8.951 2.920 6.829 1.00 0.00 O ATOM 0 H GLU A 58 -5.341 7.048 4.661 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.174 5.991 7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.291 5.443 5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.828 4.676 4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.207 2.772 5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.604 3.664 7.128 1.00 0.00 H new ATOM 828 N PHE A 59 -3.247 5.204 5.977 1.00 0.00 N ATOM 829 CA PHE A 59 -1.979 4.566 6.285 1.00 0.00 C ATOM 830 C PHE A 59 -1.384 5.125 7.579 1.00 0.00 C ATOM 831 O PHE A 59 -0.752 4.396 8.343 1.00 0.00 O ATOM 832 CB PHE A 59 -1.030 4.874 5.126 1.00 0.00 C ATOM 833 CG PHE A 59 -0.117 3.707 4.742 1.00 0.00 C ATOM 834 CD1 PHE A 59 -0.617 2.443 4.685 1.00 0.00 C ATOM 835 CD2 PHE A 59 1.193 3.934 4.458 1.00 0.00 C ATOM 836 CE1 PHE A 59 0.230 1.361 4.329 1.00 0.00 C ATOM 837 CE2 PHE A 59 2.041 2.851 4.102 1.00 0.00 C ATOM 838 CZ PHE A 59 1.541 1.587 4.045 1.00 0.00 C ATOM 0 H PHE A 59 -3.245 5.768 5.127 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.124 3.494 6.417 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.618 5.163 4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.413 5.732 5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.658 2.263 4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.589 4.938 4.503 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.167 0.358 4.284 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.082 3.031 3.877 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.185 0.763 3.774 1.00 0.00 H new ATOM 847 N LEU A 60 -1.607 6.416 7.786 1.00 0.00 N ATOM 848 CA LEU A 60 -1.101 7.081 8.974 1.00 0.00 C ATOM 849 C LEU A 60 -2.024 6.777 10.156 1.00 0.00 C ATOM 850 O LEU A 60 -1.616 6.120 11.112 1.00 0.00 O ATOM 851 CB LEU A 60 -0.911 8.576 8.710 1.00 0.00 C ATOM 852 CG LEU A 60 0.158 9.276 9.551 1.00 0.00 C ATOM 853 CD1 LEU A 60 1.236 9.898 8.660 1.00 0.00 C ATOM 854 CD2 LEU A 60 -0.471 10.304 10.494 1.00 0.00 C ATOM 0 H LEU A 60 -2.131 7.018 7.151 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.114 6.699 9.234 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.662 8.710 7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.864 9.078 8.878 1.00 0.00 H new ATOM 0 HG LEU A 60 0.648 8.527 10.173 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.984 10.389 9.283 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.713 9.117 8.067 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.780 10.631 7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.311 10.787 11.080 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.003 11.055 9.910 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.170 9.803 11.164 1.00 0.00 H new ATOM 865 N GLU A 61 -3.248 7.270 10.051 1.00 0.00 N ATOM 866 CA GLU A 61 -4.232 7.060 11.100 1.00 0.00 C ATOM 867 C GLU A 61 -4.196 5.607 11.578 1.00 0.00 C ATOM 868 O GLU A 61 -4.365 5.336 12.765 1.00 0.00 O ATOM 869 CB GLU A 61 -5.634 7.445 10.622 1.00 0.00 C ATOM 870 CG GLU A 61 -6.605 7.548 11.799 1.00 0.00 C ATOM 871 CD GLU A 61 -8.022 7.860 11.315 1.00 0.00 C ATOM 872 OE1 GLU A 61 -8.246 9.027 10.927 1.00 0.00 O ATOM 873 OE2 GLU A 61 -8.850 6.925 11.343 1.00 0.00 O ATOM 0 H GLU A 61 -3.582 7.815 9.256 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.981 7.706 11.941 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.593 8.398 10.095 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.996 6.703 9.911 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.606 6.612 12.358 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.271 8.328 12.484 1.00 0.00 H new ATOM 878 N PHE A 62 -3.974 4.710 10.627 1.00 0.00 N ATOM 879 CA PHE A 62 -3.913 3.291 10.937 1.00 0.00 C ATOM 880 C PHE A 62 -2.674 2.966 11.772 1.00 0.00 C ATOM 881 O PHE A 62 -2.735 2.144 12.686 1.00 0.00 O ATOM 882 CB PHE A 62 -3.825 2.546 9.603 1.00 0.00 C ATOM 883 CG PHE A 62 -3.493 1.060 9.742 1.00 0.00 C ATOM 884 CD1 PHE A 62 -2.196 0.650 9.743 1.00 0.00 C ATOM 885 CD2 PHE A 62 -4.494 0.148 9.865 1.00 0.00 C ATOM 886 CE1 PHE A 62 -1.887 -0.730 9.872 1.00 0.00 C ATOM 887 CE2 PHE A 62 -4.186 -1.232 9.995 1.00 0.00 C ATOM 888 CZ PHE A 62 -2.889 -1.643 9.994 1.00 0.00 C ATOM 0 H PHE A 62 -3.834 4.938 9.643 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.792 2.996 11.510 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.775 2.648 9.078 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.065 3.021 8.983 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.401 1.374 9.646 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.524 0.473 9.864 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.857 -1.055 9.873 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.982 -1.956 10.095 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.655 -2.693 10.090 1.00 0.00 H new ATOM 897 N SER A 63 -1.577 3.626 11.430 1.00 0.00 N ATOM 898 CA SER A 63 -0.326 3.416 12.138 1.00 0.00 C ATOM 899 C SER A 63 -0.364 4.128 13.491 1.00 0.00 C ATOM 900 O SER A 63 0.334 3.735 14.424 1.00 0.00 O ATOM 901 CB SER A 63 0.863 3.910 11.311 1.00 0.00 C ATOM 902 OG SER A 63 1.257 2.962 10.322 1.00 0.00 O ATOM 0 H SER A 63 -1.529 4.307 10.672 1.00 0.00 H new ATOM 0 HA SER A 63 -0.201 2.346 12.302 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.602 4.851 10.827 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.705 4.115 11.973 1.00 0.00 H new ATOM 0 HG SER A 63 0.770 3.136 9.490 1.00 0.00 H new ATOM 907 N LEU A 64 -1.187 5.165 13.555 1.00 0.00 N ATOM 908 CA LEU A 64 -1.325 5.936 14.778 1.00 0.00 C ATOM 909 C LEU A 64 -2.206 5.166 15.765 1.00 0.00 C ATOM 910 O LEU A 64 -2.143 5.399 16.971 1.00 0.00 O ATOM 911 CB LEU A 64 -1.836 7.346 14.469 1.00 0.00 C ATOM 912 CG LEU A 64 -2.351 8.150 15.664 1.00 0.00 C ATOM 913 CD1 LEU A 64 -1.972 9.626 15.537 1.00 0.00 C ATOM 914 CD2 LEU A 64 -3.858 7.958 15.845 1.00 0.00 C ATOM 0 H LEU A 64 -1.765 5.489 12.779 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.354 6.071 15.254 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.029 7.908 13.999 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.639 7.267 13.736 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.868 7.771 16.564 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.350 10.174 16.400 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.887 9.721 15.494 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.408 10.037 14.626 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.199 8.540 16.701 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.378 8.294 14.948 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.073 6.903 16.015 1.00 0.00 H new