USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 421 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ -169:sc= 0 (180deg=-0.109) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.64 K(o=-1.6,f=-3.5!) USER MOD Single : A 10 GLN : amide:sc= -2.69! C(o=-2.7!,f=-2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 15:sc= -0.652 USER MOD Single : A 25 HIS : no HE2:sc= -7.68! C(o=-7.7!,f=-3.4!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.628! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -9.07! C(o=-9.1!,f=-8.8!) USER MOD Single : A 33 ASN : amide:sc= -1.38! K(o=-1.4!,f=-0.4) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.871 K(o=-0.87,f=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.219 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 9.641 -12.776 15.988 1.00 0.00 N ATOM 2 CA GLU A 1 9.326 -14.012 16.685 1.00 0.00 C ATOM 3 C GLU A 1 7.961 -14.540 16.238 1.00 0.00 C ATOM 4 O GLU A 1 7.810 -15.730 15.965 1.00 0.00 O ATOM 5 CB GLU A 1 9.367 -13.813 18.201 1.00 0.00 C ATOM 6 CG GLU A 1 10.797 -13.553 18.681 1.00 0.00 C ATOM 7 CD GLU A 1 10.945 -13.886 20.167 1.00 0.00 C ATOM 8 OE1 GLU A 1 10.559 -13.022 20.983 1.00 0.00 O ATOM 9 OE2 GLU A 1 11.441 -14.997 20.453 1.00 0.00 O ATOM 0 H1 GLU A 1 10.637 -12.527 16.155 1.00 0.00 H new ATOM 0 H2 GLU A 1 9.482 -12.903 14.968 1.00 0.00 H new ATOM 0 H3 GLU A 1 9.029 -12.013 16.341 1.00 0.00 H new ATOM 0 HA GLU A 1 10.083 -14.754 16.429 1.00 0.00 H new ATOM 0 HB2 GLU A 1 8.728 -12.975 18.479 1.00 0.00 H new ATOM 0 HB3 GLU A 1 8.968 -14.697 18.698 1.00 0.00 H new ATOM 0 HG2 GLU A 1 11.495 -14.154 18.099 1.00 0.00 H new ATOM 0 HG3 GLU A 1 11.057 -12.508 18.511 1.00 0.00 H new ATOM 16 N GLU A 2 7.000 -13.629 16.178 1.00 0.00 N ATOM 17 CA GLU A 2 5.653 -13.988 15.770 1.00 0.00 C ATOM 18 C GLU A 2 4.871 -12.737 15.363 1.00 0.00 C ATOM 19 O GLU A 2 3.849 -12.416 15.969 1.00 0.00 O ATOM 20 CB GLU A 2 4.928 -14.751 16.880 1.00 0.00 C ATOM 21 CG GLU A 2 5.242 -16.247 16.812 1.00 0.00 C ATOM 22 CD GLU A 2 4.147 -17.069 17.494 1.00 0.00 C ATOM 23 OE1 GLU A 2 3.017 -17.065 16.958 1.00 0.00 O ATOM 24 OE2 GLU A 2 4.463 -17.682 18.536 1.00 0.00 O ATOM 0 H GLU A 2 7.128 -12.643 16.405 1.00 0.00 H new ATOM 0 HA GLU A 2 5.720 -14.648 14.905 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.226 -14.357 17.852 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.853 -14.597 16.790 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.338 -16.555 15.771 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.201 -16.443 17.292 1.00 0.00 H new ATOM 31 N TYR A 3 5.380 -12.066 14.341 1.00 0.00 N ATOM 32 CA TYR A 3 4.742 -10.857 13.847 1.00 0.00 C ATOM 33 C TYR A 3 5.512 -10.276 12.660 1.00 0.00 C ATOM 34 O TYR A 3 6.108 -11.017 11.880 1.00 0.00 O ATOM 35 CB TYR A 3 4.780 -9.857 15.004 1.00 0.00 C ATOM 36 CG TYR A 3 3.497 -9.040 15.163 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.718 -8.756 14.059 1.00 0.00 C ATOM 38 CD2 TYR A 3 3.118 -8.586 16.410 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.509 -7.987 14.209 1.00 0.00 C ATOM 40 CE2 TYR A 3 1.909 -7.817 16.559 1.00 0.00 C ATOM 41 CZ TYR A 3 1.165 -7.555 15.452 1.00 0.00 C ATOM 42 OH TYR A 3 0.024 -6.829 15.593 1.00 0.00 O ATOM 0 H TYR A 3 6.227 -12.336 13.841 1.00 0.00 H new ATOM 0 HA TYR A 3 3.727 -11.069 13.511 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.972 -10.397 15.931 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.617 -9.175 14.854 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.015 -9.110 13.083 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.728 -8.807 17.274 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.890 -7.759 13.354 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.600 -7.456 17.529 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.097 -6.589 16.535 1.00 0.00 H new ATOM 52 N VAL A 4 5.475 -8.956 12.560 1.00 0.00 N ATOM 53 CA VAL A 4 6.163 -8.267 11.482 1.00 0.00 C ATOM 54 C VAL A 4 5.383 -8.462 10.179 1.00 0.00 C ATOM 55 O VAL A 4 5.968 -8.770 9.142 1.00 0.00 O ATOM 56 CB VAL A 4 7.611 -8.752 11.390 1.00 0.00 C ATOM 57 CG1 VAL A 4 8.432 -7.854 10.462 1.00 0.00 C ATOM 58 CG2 VAL A 4 8.250 -8.837 12.777 1.00 0.00 C ATOM 0 H VAL A 4 4.979 -8.345 13.208 1.00 0.00 H new ATOM 0 HA VAL A 4 6.206 -7.196 11.679 1.00 0.00 H new ATOM 0 HB VAL A 4 7.602 -9.755 10.964 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.457 -8.221 10.414 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.995 -7.867 9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.429 -6.834 10.846 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.279 -9.184 12.683 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.241 -7.852 13.243 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.686 -9.536 13.395 1.00 0.00 H new ATOM 68 N GLY A 5 4.075 -8.274 10.276 1.00 0.00 N ATOM 69 CA GLY A 5 3.210 -8.425 9.119 1.00 0.00 C ATOM 70 C GLY A 5 2.038 -7.444 9.179 1.00 0.00 C ATOM 71 O GLY A 5 1.051 -7.605 8.463 1.00 0.00 O ATOM 0 H GLY A 5 3.594 -8.018 11.138 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.783 -8.257 8.207 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.832 -9.446 9.074 1.00 0.00 H new ATOM 75 N LEU A 6 2.185 -6.447 10.039 1.00 0.00 N ATOM 76 CA LEU A 6 1.151 -5.439 10.202 1.00 0.00 C ATOM 77 C LEU A 6 1.534 -4.189 9.407 1.00 0.00 C ATOM 78 O LEU A 6 2.702 -3.994 9.075 1.00 0.00 O ATOM 79 CB LEU A 6 0.895 -5.169 11.686 1.00 0.00 C ATOM 80 CG LEU A 6 1.772 -4.097 12.334 1.00 0.00 C ATOM 81 CD1 LEU A 6 1.106 -3.527 13.588 1.00 0.00 C ATOM 82 CD2 LEU A 6 3.174 -4.637 12.625 1.00 0.00 C ATOM 0 H LEU A 6 3.005 -6.316 10.631 1.00 0.00 H new ATOM 0 HA LEU A 6 0.204 -5.796 9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.149 -4.878 11.807 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.032 -6.102 12.233 1.00 0.00 H new ATOM 0 HG LEU A 6 1.884 -3.275 11.627 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.751 -2.767 14.029 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.149 -3.080 13.320 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.943 -4.328 14.309 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.777 -3.854 13.086 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.103 -5.487 13.304 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.642 -4.955 11.693 1.00 0.00 H new ATOM 94 N SER A 7 0.528 -3.375 9.125 1.00 0.00 N ATOM 95 CA SER A 7 0.744 -2.150 8.375 1.00 0.00 C ATOM 96 C SER A 7 1.949 -1.395 8.941 1.00 0.00 C ATOM 97 O SER A 7 2.496 -1.779 9.974 1.00 0.00 O ATOM 98 CB SER A 7 -0.500 -1.260 8.403 1.00 0.00 C ATOM 99 OG SER A 7 -0.838 -0.855 9.727 1.00 0.00 O ATOM 0 H SER A 7 -0.440 -3.540 9.403 1.00 0.00 H new ATOM 0 HA SER A 7 0.944 -2.416 7.337 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.328 -0.377 7.787 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.340 -1.797 7.963 1.00 0.00 H new ATOM 0 HG SER A 7 -1.636 -0.287 9.702 1.00 0.00 H new ATOM 105 N ALA A 8 2.326 -0.336 8.241 1.00 0.00 N ATOM 106 CA ALA A 8 3.455 0.476 8.661 1.00 0.00 C ATOM 107 C ALA A 8 4.751 -0.155 8.147 1.00 0.00 C ATOM 108 O ALA A 8 5.375 0.365 7.224 1.00 0.00 O ATOM 109 CB ALA A 8 3.442 0.620 10.184 1.00 0.00 C ATOM 0 H ALA A 8 1.869 -0.021 7.385 1.00 0.00 H new ATOM 0 HA ALA A 8 3.385 1.478 8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.289 1.229 10.499 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.514 1.099 10.496 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.513 -0.366 10.643 1.00 0.00 H new ATOM 115 N ASN A 9 5.116 -1.268 8.767 1.00 0.00 N ATOM 116 CA ASN A 9 6.326 -1.975 8.384 1.00 0.00 C ATOM 117 C ASN A 9 6.227 -2.387 6.913 1.00 0.00 C ATOM 118 O ASN A 9 7.101 -2.058 6.113 1.00 0.00 O ATOM 119 CB ASN A 9 6.510 -3.244 9.218 1.00 0.00 C ATOM 120 CG ASN A 9 7.859 -3.903 8.924 1.00 0.00 C ATOM 121 OD1 ASN A 9 8.417 -3.780 7.846 1.00 0.00 O ATOM 122 ND2 ASN A 9 8.350 -4.608 9.939 1.00 0.00 N ATOM 0 H ASN A 9 4.595 -1.697 9.532 1.00 0.00 H new ATOM 0 HA ASN A 9 7.172 -1.308 8.550 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.444 -2.999 10.278 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.704 -3.945 9.002 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.245 -5.087 9.842 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.831 -4.670 10.815 1.00 0.00 H new ATOM 129 N GLN A 10 5.154 -3.100 6.603 1.00 0.00 N ATOM 130 CA GLN A 10 4.929 -3.560 5.243 1.00 0.00 C ATOM 131 C GLN A 10 4.776 -2.366 4.298 1.00 0.00 C ATOM 132 O GLN A 10 5.058 -2.474 3.105 1.00 0.00 O ATOM 133 CB GLN A 10 3.707 -4.477 5.170 1.00 0.00 C ATOM 134 CG GLN A 10 2.491 -3.825 5.830 1.00 0.00 C ATOM 135 CD GLN A 10 1.191 -4.312 5.187 1.00 0.00 C ATOM 136 OE1 GLN A 10 0.333 -3.538 4.796 1.00 0.00 O ATOM 137 NE2 GLN A 10 1.093 -5.636 5.100 1.00 0.00 N ATOM 0 H GLN A 10 4.431 -3.370 7.270 1.00 0.00 H new ATOM 0 HA GLN A 10 5.796 -4.140 4.927 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.481 -4.705 4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.929 -5.424 5.663 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.483 -4.057 6.895 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.562 -2.741 5.740 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.848 -6.227 5.447 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.263 -6.060 4.686 1.00 0.00 H new ATOM 146 N CYS A 11 4.330 -1.255 4.866 1.00 0.00 N ATOM 147 CA CYS A 11 4.136 -0.043 4.088 1.00 0.00 C ATOM 148 C CYS A 11 5.142 1.003 4.572 1.00 0.00 C ATOM 149 O CYS A 11 4.785 2.162 4.781 1.00 0.00 O ATOM 150 CB CYS A 11 2.695 0.464 4.181 1.00 0.00 C ATOM 151 SG CYS A 11 1.434 -0.844 4.399 1.00 0.00 S ATOM 0 H CYS A 11 4.098 -1.169 5.855 1.00 0.00 H new ATOM 0 HA CYS A 11 4.310 -0.252 3.033 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.623 1.161 5.016 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.463 1.025 3.276 1.00 0.00 H new ATOM 156 N ALA A 12 6.378 0.558 4.737 1.00 0.00 N ATOM 157 CA ALA A 12 7.438 1.442 5.192 1.00 0.00 C ATOM 158 C ALA A 12 8.483 1.591 4.084 1.00 0.00 C ATOM 159 O ALA A 12 9.680 1.462 4.334 1.00 0.00 O ATOM 160 CB ALA A 12 8.038 0.894 6.489 1.00 0.00 C ATOM 0 H ALA A 12 6.670 -0.404 4.564 1.00 0.00 H new ATOM 0 HA ALA A 12 7.043 2.435 5.409 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.833 1.557 6.831 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.262 0.835 7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.447 -0.100 6.309 1.00 0.00 H new ATOM 166 N VAL A 13 7.991 1.861 2.884 1.00 0.00 N ATOM 167 CA VAL A 13 8.868 2.029 1.737 1.00 0.00 C ATOM 168 C VAL A 13 9.298 3.494 1.640 1.00 0.00 C ATOM 169 O VAL A 13 8.556 4.390 2.041 1.00 0.00 O ATOM 170 CB VAL A 13 8.174 1.525 0.470 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.166 0.809 -0.450 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.993 0.615 0.816 1.00 0.00 C ATOM 0 H VAL A 13 6.997 1.968 2.681 1.00 0.00 H new ATOM 0 HA VAL A 13 9.772 1.432 1.856 1.00 0.00 H new ATOM 0 HB VAL A 13 7.784 2.391 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.648 0.460 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.959 1.499 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.598 -0.043 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.518 0.271 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.350 -0.244 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.269 1.169 1.413 1.00 0.00 H new ATOM 182 N PRO A 14 10.525 3.698 1.092 1.00 0.00 N ATOM 183 CA PRO A 14 11.063 5.039 0.937 1.00 0.00 C ATOM 184 C PRO A 14 10.385 5.771 -0.223 1.00 0.00 C ATOM 185 O PRO A 14 10.747 6.902 -0.544 1.00 0.00 O ATOM 186 CB PRO A 14 12.555 4.842 0.725 1.00 0.00 C ATOM 187 CG PRO A 14 12.729 3.392 0.305 1.00 0.00 C ATOM 188 CD PRO A 14 11.431 2.661 0.606 1.00 0.00 C ATOM 0 HA PRO A 14 10.878 5.670 1.806 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.933 5.519 -0.041 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.110 5.053 1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.966 3.328 -0.757 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.559 2.935 0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.035 2.175 -0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.579 1.882 1.354 1.00 0.00 H new ATOM 196 N ALA A 15 9.415 5.096 -0.820 1.00 0.00 N ATOM 197 CA ALA A 15 8.683 5.667 -1.938 1.00 0.00 C ATOM 198 C ALA A 15 9.436 5.375 -3.238 1.00 0.00 C ATOM 199 O ALA A 15 8.830 5.297 -4.305 1.00 0.00 O ATOM 200 CB ALA A 15 8.483 7.166 -1.704 1.00 0.00 C ATOM 0 H ALA A 15 9.118 4.158 -0.551 1.00 0.00 H new ATOM 0 HA ALA A 15 7.695 5.215 -2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.934 7.595 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.918 7.319 -0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.454 7.654 -1.619 1.00 0.00 H new ATOM 206 N LYS A 16 10.745 5.222 -3.104 1.00 0.00 N ATOM 207 CA LYS A 16 11.587 4.940 -4.255 1.00 0.00 C ATOM 208 C LYS A 16 11.649 3.428 -4.477 1.00 0.00 C ATOM 209 O LYS A 16 12.446 2.948 -5.282 1.00 0.00 O ATOM 210 CB LYS A 16 12.960 5.595 -4.087 1.00 0.00 C ATOM 211 CG LYS A 16 13.726 4.969 -2.920 1.00 0.00 C ATOM 212 CD LYS A 16 14.476 3.712 -3.367 1.00 0.00 C ATOM 213 CE LYS A 16 15.515 3.294 -2.326 1.00 0.00 C ATOM 214 NZ LYS A 16 16.816 3.016 -2.975 1.00 0.00 N ATOM 0 H LYS A 16 11.243 5.288 -2.217 1.00 0.00 H new ATOM 0 HA LYS A 16 11.159 5.377 -5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.535 5.483 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.838 6.664 -3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.432 5.693 -2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.032 4.717 -2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.768 2.899 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.967 3.898 -4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.633 4.084 -1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.170 2.407 -1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.510 2.734 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.702 2.247 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.151 3.872 -3.462 1.00 0.00 H new ATOM 228 N ASP A 17 10.799 2.719 -3.749 1.00 0.00 N ATOM 229 CA ASP A 17 10.747 1.271 -3.857 1.00 0.00 C ATOM 230 C ASP A 17 9.288 0.823 -3.954 1.00 0.00 C ATOM 231 O ASP A 17 8.972 -0.336 -3.687 1.00 0.00 O ATOM 232 CB ASP A 17 11.366 0.605 -2.627 1.00 0.00 C ATOM 233 CG ASP A 17 12.565 -0.301 -2.916 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.680 -0.735 -4.083 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.339 -0.538 -1.964 1.00 0.00 O ATOM 0 H ASP A 17 10.140 3.121 -3.082 1.00 0.00 H new ATOM 0 HA ASP A 17 11.307 0.979 -4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.677 1.383 -1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.598 0.016 -2.126 1.00 0.00 H new ATOM 240 N ARG A 18 8.437 1.764 -4.336 1.00 0.00 N ATOM 241 CA ARG A 18 7.018 1.480 -4.471 1.00 0.00 C ATOM 242 C ARG A 18 6.753 0.701 -5.761 1.00 0.00 C ATOM 243 O ARG A 18 7.236 1.077 -6.828 1.00 0.00 O ATOM 244 CB ARG A 18 6.197 2.771 -4.485 1.00 0.00 C ATOM 245 CG ARG A 18 6.714 3.760 -3.439 1.00 0.00 C ATOM 246 CD ARG A 18 6.061 3.510 -2.078 1.00 0.00 C ATOM 247 NE ARG A 18 5.676 4.797 -1.457 1.00 0.00 N ATOM 248 CZ ARG A 18 5.584 4.996 -0.135 1.00 0.00 C ATOM 249 NH1 ARG A 18 5.849 3.993 0.713 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.228 6.198 0.339 1.00 0.00 N ATOM 0 H ARG A 18 8.703 2.724 -4.556 1.00 0.00 H new ATOM 0 HA ARG A 18 6.717 0.880 -3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.244 3.225 -5.475 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.150 2.542 -4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.796 3.667 -3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.507 4.780 -3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.182 2.877 -2.198 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.752 2.975 -1.427 1.00 0.00 H new ATOM 0 HE ARG A 18 5.468 5.582 -2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.121 3.078 0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.779 4.144 1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.027 6.962 -0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.158 6.349 1.345 1.00 0.00 H new ATOM 264 N VAL A 19 5.987 -0.371 -5.620 1.00 0.00 N ATOM 265 CA VAL A 19 5.652 -1.206 -6.761 1.00 0.00 C ATOM 266 C VAL A 19 4.382 -0.670 -7.425 1.00 0.00 C ATOM 267 O VAL A 19 3.968 -1.165 -8.472 1.00 0.00 O ATOM 268 CB VAL A 19 5.526 -2.666 -6.322 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.252 -3.578 -7.520 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.775 -3.120 -5.562 1.00 0.00 C ATOM 0 H VAL A 19 5.589 -0.680 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 19 6.447 -1.172 -7.506 1.00 0.00 H new ATOM 0 HB VAL A 19 4.676 -2.739 -5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.167 -4.610 -7.180 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.322 -3.277 -8.001 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.072 -3.498 -8.233 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.659 -4.161 -5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.648 -3.023 -6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.908 -2.499 -4.676 1.00 0.00 H new ATOM 280 N ASP A 20 3.800 0.335 -6.789 1.00 0.00 N ATOM 281 CA ASP A 20 2.585 0.944 -7.304 1.00 0.00 C ATOM 282 C ASP A 20 1.544 -0.146 -7.564 1.00 0.00 C ATOM 283 O ASP A 20 1.626 -0.863 -8.561 1.00 0.00 O ATOM 284 CB ASP A 20 2.851 1.669 -8.625 1.00 0.00 C ATOM 285 CG ASP A 20 1.600 2.012 -9.437 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.562 2.281 -8.795 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.710 1.996 -10.683 1.00 0.00 O ATOM 0 H ASP A 20 4.147 0.744 -5.921 1.00 0.00 H new ATOM 0 HA ASP A 20 2.227 1.660 -6.565 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.393 2.591 -8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.505 1.048 -9.238 1.00 0.00 H new ATOM 292 N CYS A 21 0.589 -0.237 -6.651 1.00 0.00 N ATOM 293 CA CYS A 21 -0.468 -1.228 -6.769 1.00 0.00 C ATOM 294 C CYS A 21 -1.385 -0.818 -7.923 1.00 0.00 C ATOM 295 O CYS A 21 -2.259 -1.583 -8.327 1.00 0.00 O ATOM 296 CB CYS A 21 -1.239 -1.392 -5.457 1.00 0.00 C ATOM 297 SG CYS A 21 -1.356 -3.112 -4.846 1.00 0.00 S ATOM 0 H CYS A 21 0.524 0.359 -5.826 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.032 -2.204 -6.982 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.760 -0.781 -4.692 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.247 -1.000 -5.593 1.00 0.00 H new ATOM 302 N GLY A 22 -1.154 0.388 -8.420 1.00 0.00 N ATOM 303 CA GLY A 22 -1.948 0.909 -9.519 1.00 0.00 C ATOM 304 C GLY A 22 -3.444 0.800 -9.215 1.00 0.00 C ATOM 305 O GLY A 22 -4.109 -0.124 -9.681 1.00 0.00 O ATOM 0 H GLY A 22 -0.428 1.019 -8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.685 1.951 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.718 0.359 -10.431 1.00 0.00 H new ATOM 309 N TYR A 23 -3.928 1.755 -8.436 1.00 0.00 N ATOM 310 CA TYR A 23 -5.333 1.778 -8.064 1.00 0.00 C ATOM 311 C TYR A 23 -5.832 3.214 -7.893 1.00 0.00 C ATOM 312 O TYR A 23 -5.097 4.077 -7.414 1.00 0.00 O ATOM 313 CB TYR A 23 -5.424 1.054 -6.719 1.00 0.00 C ATOM 314 CG TYR A 23 -6.699 0.226 -6.544 1.00 0.00 C ATOM 315 CD1 TYR A 23 -7.067 -0.687 -7.511 1.00 0.00 C ATOM 316 CD2 TYR A 23 -7.480 0.391 -5.418 1.00 0.00 C ATOM 317 CE1 TYR A 23 -8.266 -1.467 -7.346 1.00 0.00 C ATOM 318 CE2 TYR A 23 -8.679 -0.389 -5.253 1.00 0.00 C ATOM 319 CZ TYR A 23 -9.013 -1.279 -6.225 1.00 0.00 C ATOM 320 OH TYR A 23 -10.146 -2.016 -6.070 1.00 0.00 O ATOM 0 H TYR A 23 -3.373 2.519 -8.052 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.942 1.306 -8.835 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.560 0.399 -6.611 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.368 1.790 -5.917 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.456 -0.817 -8.392 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.192 1.105 -4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.565 -2.185 -8.095 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.299 -0.270 -4.377 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.139 -2.764 -6.703 1.00 0.00 H new ATOM 330 N PRO A 24 -7.110 3.431 -8.303 1.00 0.00 N ATOM 331 CA PRO A 24 -7.716 4.748 -8.200 1.00 0.00 C ATOM 332 C PRO A 24 -8.090 5.067 -6.751 1.00 0.00 C ATOM 333 O PRO A 24 -7.360 5.775 -6.059 1.00 0.00 O ATOM 334 CB PRO A 24 -8.919 4.701 -9.128 1.00 0.00 C ATOM 335 CG PRO A 24 -9.211 3.227 -9.357 1.00 0.00 C ATOM 336 CD PRO A 24 -8.009 2.433 -8.874 1.00 0.00 C ATOM 0 HA PRO A 24 -7.036 5.548 -8.492 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.777 5.204 -8.682 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.706 5.208 -10.069 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.109 2.927 -8.816 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.396 3.034 -10.414 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.298 1.690 -8.131 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.534 1.896 -9.695 1.00 0.00 H new ATOM 344 N HIS A 25 -9.227 4.528 -6.335 1.00 0.00 N ATOM 345 CA HIS A 25 -9.707 4.747 -4.981 1.00 0.00 C ATOM 346 C HIS A 25 -8.706 4.165 -3.981 1.00 0.00 C ATOM 347 O HIS A 25 -8.756 2.977 -3.667 1.00 0.00 O ATOM 348 CB HIS A 25 -11.117 4.179 -4.806 1.00 0.00 C ATOM 349 CG HIS A 25 -11.170 2.904 -3.999 1.00 0.00 C ATOM 350 ND1 HIS A 25 -11.707 2.846 -2.724 1.00 0.00 N ATOM 351 CD2 HIS A 25 -10.748 1.641 -4.297 1.00 0.00 C ATOM 352 CE1 HIS A 25 -11.607 1.600 -2.285 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.012 0.855 -3.261 1.00 0.00 N ATOM 0 H HIS A 25 -9.829 3.940 -6.912 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.782 5.817 -4.787 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.742 4.929 -4.322 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.547 3.992 -5.790 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -12.111 3.629 -2.210 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.279 1.333 -5.220 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.938 1.238 -1.323 1.00 0.00 H new ATOM 362 N VAL A 26 -7.820 5.030 -3.509 1.00 0.00 N ATOM 363 CA VAL A 26 -6.808 4.617 -2.552 1.00 0.00 C ATOM 364 C VAL A 26 -6.857 5.543 -1.334 1.00 0.00 C ATOM 365 O VAL A 26 -6.757 6.761 -1.472 1.00 0.00 O ATOM 366 CB VAL A 26 -5.434 4.585 -3.224 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.373 3.495 -4.296 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.078 5.952 -3.811 1.00 0.00 C ATOM 0 H VAL A 26 -7.782 6.015 -3.772 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.006 3.605 -2.200 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.694 4.346 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.386 3.494 -4.758 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.561 2.524 -3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.129 3.690 -5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.097 5.901 -4.283 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.824 6.234 -4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.060 6.696 -3.015 1.00 0.00 H new ATOM 378 N THR A 27 -7.010 4.929 -0.170 1.00 0.00 N ATOM 379 CA THR A 27 -7.073 5.683 1.071 1.00 0.00 C ATOM 380 C THR A 27 -6.286 4.967 2.170 1.00 0.00 C ATOM 381 O THR A 27 -5.796 3.857 1.966 1.00 0.00 O ATOM 382 CB THR A 27 -8.547 5.896 1.420 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.863 4.802 2.276 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.468 5.704 0.213 1.00 0.00 C ATOM 0 H THR A 27 -7.092 3.918 -0.060 1.00 0.00 H new ATOM 0 HA THR A 27 -6.605 6.661 0.964 1.00 0.00 H new ATOM 0 HB THR A 27 -8.683 6.899 1.824 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.801 4.863 2.552 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.503 5.867 0.515 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.201 6.418 -0.566 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.357 4.690 -0.171 1.00 0.00 H new ATOM 392 N PRO A 28 -6.186 5.649 3.342 1.00 0.00 N ATOM 393 CA PRO A 28 -5.467 5.090 4.475 1.00 0.00 C ATOM 394 C PRO A 28 -6.279 3.982 5.148 1.00 0.00 C ATOM 395 O PRO A 28 -6.263 3.851 6.371 1.00 0.00 O ATOM 396 CB PRO A 28 -5.198 6.271 5.392 1.00 0.00 C ATOM 397 CG PRO A 28 -6.175 7.357 4.970 1.00 0.00 C ATOM 398 CD PRO A 28 -6.753 6.965 3.620 1.00 0.00 C ATOM 0 HA PRO A 28 -4.533 4.608 4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.346 5.996 6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.168 6.614 5.296 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.969 7.464 5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.670 8.320 4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.842 6.928 3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.480 7.685 2.848 1.00 0.00 H new ATOM 406 N LYS A 29 -6.972 3.213 4.320 1.00 0.00 N ATOM 407 CA LYS A 29 -7.789 2.121 4.820 1.00 0.00 C ATOM 408 C LYS A 29 -8.394 1.361 3.639 1.00 0.00 C ATOM 409 O LYS A 29 -8.393 0.131 3.621 1.00 0.00 O ATOM 410 CB LYS A 29 -8.829 2.642 5.814 1.00 0.00 C ATOM 411 CG LYS A 29 -9.234 1.551 6.807 1.00 0.00 C ATOM 412 CD LYS A 29 -10.756 1.406 6.873 1.00 0.00 C ATOM 413 CE LYS A 29 -11.314 2.066 8.136 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.464 2.935 7.801 1.00 0.00 N ATOM 0 H LYS A 29 -6.984 3.325 3.306 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.177 1.411 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.424 3.498 6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.709 2.993 5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.787 0.602 6.512 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.845 1.792 7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.207 1.861 5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.025 0.350 6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.624 1.300 8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.535 2.654 8.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.831 3.375 8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.158 3.677 7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.213 2.365 7.359 1.00 0.00 H new ATOM 428 N GLU A 30 -8.898 2.124 2.680 1.00 0.00 N ATOM 429 CA GLU A 30 -9.505 1.537 1.497 1.00 0.00 C ATOM 430 C GLU A 30 -8.429 0.934 0.592 1.00 0.00 C ATOM 431 O GLU A 30 -8.670 -0.065 -0.084 1.00 0.00 O ATOM 432 CB GLU A 30 -10.342 2.570 0.741 1.00 0.00 C ATOM 433 CG GLU A 30 -11.833 2.242 0.833 1.00 0.00 C ATOM 434 CD GLU A 30 -12.423 2.738 2.155 1.00 0.00 C ATOM 435 OE1 GLU A 30 -11.647 2.808 3.132 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.637 3.035 2.159 1.00 0.00 O ATOM 0 H GLU A 30 -8.898 3.144 2.698 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.174 0.738 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.159 3.563 1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.036 2.596 -0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.362 2.702 -0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.978 1.165 0.747 1.00 0.00 H new ATOM 443 N CYS A 31 -7.265 1.567 0.607 1.00 0.00 N ATOM 444 CA CYS A 31 -6.152 1.105 -0.204 1.00 0.00 C ATOM 445 C CYS A 31 -5.478 -0.060 0.523 1.00 0.00 C ATOM 446 O CYS A 31 -4.872 -0.924 -0.109 1.00 0.00 O ATOM 447 CB CYS A 31 -5.166 2.235 -0.507 1.00 0.00 C ATOM 448 SG CYS A 31 -3.463 1.685 -0.893 1.00 0.00 S ATOM 0 H CYS A 31 -7.069 2.396 1.168 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.521 0.763 -1.171 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.546 2.813 -1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.130 2.907 0.351 1.00 0.00 H new ATOM 453 N ASN A 32 -5.606 -0.047 1.842 1.00 0.00 N ATOM 454 CA ASN A 32 -5.018 -1.092 2.662 1.00 0.00 C ATOM 455 C ASN A 32 -6.068 -2.169 2.939 1.00 0.00 C ATOM 456 O ASN A 32 -5.796 -3.140 3.644 1.00 0.00 O ATOM 457 CB ASN A 32 -4.545 -0.536 4.007 1.00 0.00 C ATOM 458 CG ASN A 32 -3.901 0.842 3.835 1.00 0.00 C ATOM 459 OD1 ASN A 32 -2.694 0.983 3.733 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.773 1.846 3.809 1.00 0.00 N ATOM 0 H ASN A 32 -6.109 0.671 2.363 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.166 -1.504 2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.390 -0.464 4.692 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.828 -1.223 4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.444 2.805 3.698 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.771 1.657 3.900 1.00 0.00 H new ATOM 467 N ASN A 33 -7.246 -1.962 2.370 1.00 0.00 N ATOM 468 CA ASN A 33 -8.339 -2.904 2.547 1.00 0.00 C ATOM 469 C ASN A 33 -8.466 -3.772 1.294 1.00 0.00 C ATOM 470 O ASN A 33 -8.691 -4.978 1.390 1.00 0.00 O ATOM 471 CB ASN A 33 -9.667 -2.174 2.753 1.00 0.00 C ATOM 472 CG ASN A 33 -10.836 -3.161 2.786 1.00 0.00 C ATOM 473 OD1 ASN A 33 -11.311 -3.566 3.834 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.272 -3.523 1.583 1.00 0.00 N ATOM 0 H ASN A 33 -7.468 -1.156 1.786 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.122 -3.512 3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.636 -1.611 3.686 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.818 -1.453 1.950 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.049 -4.178 1.498 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.829 -3.146 0.745 1.00 0.00 H new ATOM 481 N ARG A 34 -8.316 -3.126 0.147 1.00 0.00 N ATOM 482 CA ARG A 34 -8.411 -3.824 -1.124 1.00 0.00 C ATOM 483 C ARG A 34 -7.362 -4.935 -1.198 1.00 0.00 C ATOM 484 O ARG A 34 -7.528 -5.901 -1.942 1.00 0.00 O ATOM 485 CB ARG A 34 -8.210 -2.862 -2.297 1.00 0.00 C ATOM 486 CG ARG A 34 -9.096 -3.251 -3.482 1.00 0.00 C ATOM 487 CD ARG A 34 -10.548 -3.444 -3.041 1.00 0.00 C ATOM 488 NE ARG A 34 -10.853 -4.888 -2.923 1.00 0.00 N ATOM 489 CZ ARG A 34 -10.981 -5.716 -3.968 1.00 0.00 C ATOM 490 NH1 ARG A 34 -10.831 -5.250 -5.215 1.00 0.00 N ATOM 491 NH2 ARG A 34 -11.259 -7.012 -3.766 1.00 0.00 N ATOM 0 H ARG A 34 -8.129 -2.126 0.071 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.409 -4.257 -1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.443 -1.845 -1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.164 -2.869 -2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.045 -2.478 -4.248 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.724 -4.171 -3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.715 -2.949 -2.084 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.221 -2.979 -3.762 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.973 -5.276 -1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.619 -4.264 -5.369 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.929 -5.881 -6.010 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.373 -7.367 -2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.357 -7.643 -4.562 1.00 0.00 H new ATOM 505 N GLY A 35 -6.306 -4.762 -0.418 1.00 0.00 N ATOM 506 CA GLY A 35 -5.230 -5.738 -0.386 1.00 0.00 C ATOM 507 C GLY A 35 -3.929 -5.139 -0.923 1.00 0.00 C ATOM 508 O GLY A 35 -3.527 -5.427 -2.049 1.00 0.00 O ATOM 0 H GLY A 35 -6.172 -3.960 0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.080 -6.085 0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.506 -6.609 -0.981 1.00 0.00 H new ATOM 512 N CYS A 36 -3.308 -4.315 -0.092 1.00 0.00 N ATOM 513 CA CYS A 36 -2.060 -3.672 -0.469 1.00 0.00 C ATOM 514 C CYS A 36 -1.666 -2.698 0.643 1.00 0.00 C ATOM 515 O CYS A 36 -2.049 -2.882 1.798 1.00 0.00 O ATOM 516 CB CYS A 36 -2.171 -2.974 -1.826 1.00 0.00 C ATOM 517 SG CYS A 36 -0.793 -3.316 -2.980 1.00 0.00 S ATOM 0 H CYS A 36 -3.645 -4.078 0.841 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.280 -4.425 -0.584 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.106 -3.276 -2.299 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.230 -1.898 -1.662 1.00 0.00 H new ATOM 522 N CYS A 37 -0.907 -1.684 0.256 1.00 0.00 N ATOM 523 CA CYS A 37 -0.457 -0.681 1.206 1.00 0.00 C ATOM 524 C CYS A 37 -0.832 0.699 0.662 1.00 0.00 C ATOM 525 O CYS A 37 -0.879 0.900 -0.550 1.00 0.00 O ATOM 526 CB CYS A 37 1.043 -0.796 1.483 1.00 0.00 C ATOM 527 SG CYS A 37 1.498 -2.050 2.736 1.00 0.00 S ATOM 0 H CYS A 37 -0.592 -1.535 -0.703 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.950 -0.839 2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.553 -1.034 0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.413 0.175 1.810 1.00 0.00 H new ATOM 532 N PHE A 38 -1.091 1.614 1.585 1.00 0.00 N ATOM 533 CA PHE A 38 -1.461 2.969 1.213 1.00 0.00 C ATOM 534 C PHE A 38 -0.418 3.976 1.702 1.00 0.00 C ATOM 535 O PHE A 38 0.521 3.609 2.408 1.00 0.00 O ATOM 536 CB PHE A 38 -2.799 3.269 1.891 1.00 0.00 C ATOM 537 CG PHE A 38 -3.263 4.719 1.737 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.882 5.117 0.594 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.056 5.609 2.744 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.313 6.463 0.451 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.486 6.955 2.602 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.105 7.354 1.458 1.00 0.00 C ATOM 0 H PHE A 38 -1.052 1.443 2.590 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.527 3.052 0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.561 2.609 1.477 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.717 3.035 2.952 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.046 4.410 -0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.564 5.292 3.652 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.806 6.779 -0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.322 7.662 3.402 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.431 8.378 1.349 1.00 0.00 H new ATOM 552 N ASP A 39 -0.617 5.225 1.307 1.00 0.00 N ATOM 553 CA ASP A 39 0.295 6.287 1.696 1.00 0.00 C ATOM 554 C ASP A 39 -0.173 7.606 1.079 1.00 0.00 C ATOM 555 O ASP A 39 -0.684 7.625 -0.040 1.00 0.00 O ATOM 556 CB ASP A 39 1.713 6.007 1.195 1.00 0.00 C ATOM 557 CG ASP A 39 2.699 7.164 1.365 1.00 0.00 C ATOM 558 OD1 ASP A 39 2.672 8.065 0.498 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.457 7.123 2.357 1.00 0.00 O ATOM 0 H ASP A 39 -1.396 5.525 0.722 1.00 0.00 H new ATOM 0 HA ASP A 39 0.302 6.343 2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.103 5.137 1.722 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.664 5.744 0.138 1.00 0.00 H new ATOM 564 N SER A 40 0.017 8.677 1.835 1.00 0.00 N ATOM 565 CA SER A 40 -0.379 9.998 1.376 1.00 0.00 C ATOM 566 C SER A 40 0.727 11.011 1.680 1.00 0.00 C ATOM 567 O SER A 40 0.494 12.218 1.646 1.00 0.00 O ATOM 568 CB SER A 40 -1.693 10.435 2.025 1.00 0.00 C ATOM 569 OG SER A 40 -1.550 10.652 3.426 1.00 0.00 O ATOM 0 H SER A 40 0.440 8.657 2.763 1.00 0.00 H new ATOM 0 HA SER A 40 -0.535 9.953 0.298 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.045 11.351 1.550 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.454 9.674 1.852 1.00 0.00 H new ATOM 0 HG SER A 40 -2.410 10.931 3.803 1.00 0.00 H new ATOM 575 N ARG A 41 1.906 10.482 1.971 1.00 0.00 N ATOM 576 CA ARG A 41 3.048 11.326 2.282 1.00 0.00 C ATOM 577 C ARG A 41 3.418 12.185 1.071 1.00 0.00 C ATOM 578 O ARG A 41 3.615 13.392 1.199 1.00 0.00 O ATOM 579 CB ARG A 41 4.259 10.484 2.691 1.00 0.00 C ATOM 580 CG ARG A 41 5.094 11.205 3.751 1.00 0.00 C ATOM 581 CD ARG A 41 6.524 11.437 3.258 1.00 0.00 C ATOM 582 NE ARG A 41 7.322 12.100 4.313 1.00 0.00 N ATOM 583 CZ ARG A 41 7.798 11.475 5.399 1.00 0.00 C ATOM 584 NH1 ARG A 41 7.559 10.169 5.580 1.00 0.00 N ATOM 585 NH2 ARG A 41 8.513 12.157 6.305 1.00 0.00 N ATOM 0 H ARG A 41 2.096 9.480 1.998 1.00 0.00 H new ATOM 0 HA ARG A 41 2.768 11.969 3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.924 9.522 3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.875 10.277 1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.631 12.161 3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.113 10.615 4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.983 10.486 2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.512 12.053 2.359 1.00 0.00 H new ATOM 0 HE ARG A 41 7.522 13.095 4.207 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.015 9.650 4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.922 9.694 6.407 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.695 13.151 6.168 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.875 11.682 7.132 1.00 0.00 H new ATOM 599 N ILE A 42 3.502 11.528 -0.077 1.00 0.00 N ATOM 600 CA ILE A 42 3.844 12.217 -1.310 1.00 0.00 C ATOM 601 C ILE A 42 3.015 11.639 -2.459 1.00 0.00 C ATOM 602 O ILE A 42 2.918 10.422 -2.609 1.00 0.00 O ATOM 603 CB ILE A 42 5.354 12.162 -1.552 1.00 0.00 C ATOM 604 CG1 ILE A 42 5.991 11.001 -0.785 1.00 0.00 C ATOM 605 CG2 ILE A 42 6.013 13.501 -1.216 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.434 9.658 -1.261 1.00 0.00 C ATOM 0 H ILE A 42 3.339 10.526 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 42 3.594 13.275 -1.238 1.00 0.00 H new ATOM 0 HB ILE A 42 5.523 11.978 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.072 11.020 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.803 11.119 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.086 13.434 -1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.587 14.284 -1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.836 13.741 -0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.903 8.850 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.356 9.633 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.645 9.532 -2.323 1.00 0.00 H new ATOM 618 N PRO A 43 2.424 12.564 -3.262 1.00 0.00 N ATOM 619 CA PRO A 43 1.606 12.159 -4.393 1.00 0.00 C ATOM 620 C PRO A 43 2.477 11.662 -5.549 1.00 0.00 C ATOM 621 O PRO A 43 2.116 10.709 -6.237 1.00 0.00 O ATOM 622 CB PRO A 43 0.791 13.391 -4.750 1.00 0.00 C ATOM 623 CG PRO A 43 1.513 14.567 -4.113 1.00 0.00 C ATOM 624 CD PRO A 43 2.517 14.013 -3.115 1.00 0.00 C ATOM 0 HA PRO A 43 0.952 11.319 -4.160 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.722 13.514 -5.831 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.228 13.308 -4.373 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.019 15.161 -4.874 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.803 15.226 -3.614 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.525 14.369 -3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.278 14.324 -2.098 1.00 0.00 H new ATOM 632 N GLY A 44 3.607 12.330 -5.726 1.00 0.00 N ATOM 633 CA GLY A 44 4.532 11.968 -6.786 1.00 0.00 C ATOM 634 C GLY A 44 4.648 10.448 -6.918 1.00 0.00 C ATOM 635 O GLY A 44 4.662 9.917 -8.028 1.00 0.00 O ATOM 0 H GLY A 44 3.903 13.120 -5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.193 12.394 -7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.513 12.394 -6.578 1.00 0.00 H new ATOM 639 N VAL A 45 4.727 9.791 -5.770 1.00 0.00 N ATOM 640 CA VAL A 45 4.841 8.343 -5.744 1.00 0.00 C ATOM 641 C VAL A 45 3.440 7.726 -5.723 1.00 0.00 C ATOM 642 O VAL A 45 2.448 8.435 -5.565 1.00 0.00 O ATOM 643 CB VAL A 45 5.703 7.907 -4.557 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.713 8.995 -4.185 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.833 7.532 -3.356 1.00 0.00 C ATOM 0 H VAL A 45 4.714 10.235 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 45 5.342 7.983 -6.643 1.00 0.00 H new ATOM 0 HB VAL A 45 6.261 7.020 -4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.313 8.660 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.364 9.193 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.182 9.908 -3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.470 7.226 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.236 8.393 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.172 6.709 -3.628 1.00 0.00 H new ATOM 655 N PRO A 46 3.404 6.376 -5.890 1.00 0.00 N ATOM 656 CA PRO A 46 2.142 5.656 -5.892 1.00 0.00 C ATOM 657 C PRO A 46 1.580 5.531 -4.475 1.00 0.00 C ATOM 658 O PRO A 46 1.915 4.594 -3.751 1.00 0.00 O ATOM 659 CB PRO A 46 2.458 4.312 -6.527 1.00 0.00 C ATOM 660 CG PRO A 46 3.966 4.150 -6.432 1.00 0.00 C ATOM 661 CD PRO A 46 4.560 5.504 -6.080 1.00 0.00 C ATOM 0 HA PRO A 46 1.363 6.173 -6.452 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.945 3.504 -6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.127 4.283 -7.565 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.223 3.411 -5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.371 3.790 -7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.167 5.448 -5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.207 5.872 -6.876 1.00 0.00 H new ATOM 669 N TRP A 47 0.735 6.488 -4.121 1.00 0.00 N ATOM 670 CA TRP A 47 0.124 6.496 -2.803 1.00 0.00 C ATOM 671 C TRP A 47 -0.113 5.044 -2.382 1.00 0.00 C ATOM 672 O TRP A 47 0.315 4.628 -1.307 1.00 0.00 O ATOM 673 CB TRP A 47 -1.155 7.336 -2.797 1.00 0.00 C ATOM 674 CG TRP A 47 -0.933 8.805 -2.430 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.158 9.553 -2.643 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.875 9.679 -1.773 1.00 0.00 C ATOM 677 NE1 TRP A 47 -0.010 10.839 -2.173 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.287 10.918 -1.627 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.182 9.430 -1.317 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.930 12.007 -1.026 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.811 10.528 -0.719 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.232 11.782 -0.564 1.00 0.00 C ATOM 0 H TRP A 47 0.459 7.263 -4.724 1.00 0.00 H new ATOM 0 HA TRP A 47 0.785 6.966 -2.075 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.616 7.284 -3.783 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.861 6.899 -2.092 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.057 9.194 -3.123 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.676 11.593 -2.218 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.662 8.468 -1.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.448 12.968 -0.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.817 10.391 -0.352 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.784 12.579 -0.089 1.00 0.00 H new ATOM 693 N CYS A 48 -0.794 4.313 -3.252 1.00 0.00 N ATOM 694 CA CYS A 48 -1.093 2.917 -2.985 1.00 0.00 C ATOM 695 C CYS A 48 -0.013 2.059 -3.646 1.00 0.00 C ATOM 696 O CYS A 48 0.072 1.997 -4.872 1.00 0.00 O ATOM 697 CB CYS A 48 -2.496 2.537 -3.463 1.00 0.00 C ATOM 698 SG CYS A 48 -3.193 1.036 -2.681 1.00 0.00 S ATOM 0 H CYS A 48 -1.147 4.662 -4.143 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.087 2.741 -1.909 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.168 3.374 -3.273 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.469 2.388 -4.542 1.00 0.00 H new ATOM 703 N PHE A 49 0.787 1.418 -2.806 1.00 0.00 N ATOM 704 CA PHE A 49 1.858 0.567 -3.294 1.00 0.00 C ATOM 705 C PHE A 49 1.845 -0.790 -2.588 1.00 0.00 C ATOM 706 O PHE A 49 1.139 -0.972 -1.597 1.00 0.00 O ATOM 707 CB PHE A 49 3.175 1.280 -2.979 1.00 0.00 C ATOM 708 CG PHE A 49 3.253 1.843 -1.559 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.359 1.000 -0.497 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.216 3.188 -1.358 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.431 1.523 0.821 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.288 3.711 -0.040 1.00 0.00 C ATOM 713 CZ PHE A 49 3.395 2.868 1.022 1.00 0.00 C ATOM 0 H PHE A 49 0.714 1.471 -1.790 1.00 0.00 H new ATOM 0 HA PHE A 49 1.736 0.392 -4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.999 0.582 -3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.315 2.094 -3.690 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.388 -0.068 -0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.132 3.858 -2.201 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.514 0.853 1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.258 4.779 0.119 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.451 3.266 2.024 1.00 0.00 H new ATOM 723 N LYS A 50 2.634 -1.709 -3.126 1.00 0.00 N ATOM 724 CA LYS A 50 2.721 -3.044 -2.560 1.00 0.00 C ATOM 725 C LYS A 50 3.516 -2.989 -1.254 1.00 0.00 C ATOM 726 O LYS A 50 4.196 -2.002 -0.978 1.00 0.00 O ATOM 727 CB LYS A 50 3.293 -4.025 -3.586 1.00 0.00 C ATOM 728 CG LYS A 50 2.562 -3.906 -4.925 1.00 0.00 C ATOM 729 CD LYS A 50 3.051 -4.967 -5.913 1.00 0.00 C ATOM 730 CE LYS A 50 2.190 -6.229 -5.835 1.00 0.00 C ATOM 731 NZ LYS A 50 2.281 -6.997 -7.096 1.00 0.00 N ATOM 0 H LYS A 50 3.218 -1.555 -3.948 1.00 0.00 H new ATOM 0 HA LYS A 50 1.727 -3.418 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.356 -3.829 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.205 -5.044 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.489 -4.017 -4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.722 -2.913 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.023 -4.566 -6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.090 -5.218 -5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.518 -6.849 -5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.152 -5.957 -5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.691 -7.850 -7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.947 -6.409 -7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.270 -7.273 -7.264 1.00 0.00 H new ATOM 745 N PRO A 51 3.400 -4.089 -0.463 1.00 0.00 N ATOM 746 CA PRO A 51 4.100 -4.175 0.808 1.00 0.00 C ATOM 747 C PRO A 51 5.591 -4.441 0.596 1.00 0.00 C ATOM 748 O PRO A 51 5.966 -5.419 -0.050 1.00 0.00 O ATOM 749 CB PRO A 51 3.399 -5.289 1.568 1.00 0.00 C ATOM 750 CG PRO A 51 2.643 -6.095 0.524 1.00 0.00 C ATOM 751 CD PRO A 51 2.604 -5.277 -0.757 1.00 0.00 C ATOM 0 HA PRO A 51 4.065 -3.243 1.372 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.119 -5.913 2.097 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.718 -4.883 2.316 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.135 -7.052 0.351 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.632 -6.313 0.869 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.020 -5.835 -1.596 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.582 -5.012 -1.026 1.00 0.00 H new ATOM 759 N LEU A 52 6.403 -3.554 1.152 1.00 0.00 N ATOM 760 CA LEU A 52 7.846 -3.681 1.032 1.00 0.00 C ATOM 761 C LEU A 52 8.224 -5.163 1.030 1.00 0.00 C ATOM 762 O LEU A 52 7.730 -5.935 1.850 1.00 0.00 O ATOM 763 CB LEU A 52 8.547 -2.868 2.122 1.00 0.00 C ATOM 764 CG LEU A 52 10.066 -3.031 2.207 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.669 -2.043 3.208 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.445 -4.477 2.531 1.00 0.00 C ATOM 0 H LEU A 52 6.089 -2.744 1.687 1.00 0.00 H new ATOM 0 HA LEU A 52 8.189 -3.263 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.323 -1.813 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.117 -3.142 3.085 1.00 0.00 H new ATOM 0 HG LEU A 52 10.489 -2.798 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.750 -2.180 3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.444 -1.024 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.243 -2.220 4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.530 -4.565 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.009 -4.762 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.066 -5.136 1.750 1.00 0.00 H new ATOM 778 N GLN A 53 9.099 -5.516 0.099 1.00 0.00 N ATOM 779 CA GLN A 53 9.550 -6.892 -0.021 1.00 0.00 C ATOM 780 C GLN A 53 10.319 -7.310 1.234 1.00 0.00 C ATOM 781 O GLN A 53 11.547 -7.382 1.219 1.00 0.00 O ATOM 782 CB GLN A 53 10.403 -7.082 -1.276 1.00 0.00 C ATOM 783 CG GLN A 53 9.561 -7.617 -2.436 1.00 0.00 C ATOM 784 CD GLN A 53 9.349 -6.539 -3.501 1.00 0.00 C ATOM 785 OE1 GLN A 53 9.693 -6.699 -4.661 1.00 0.00 O ATOM 786 NE2 GLN A 53 8.764 -5.435 -3.045 1.00 0.00 N ATOM 0 H GLN A 53 9.507 -4.873 -0.579 1.00 0.00 H new ATOM 0 HA GLN A 53 8.674 -7.534 -0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.856 -6.132 -1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.218 -7.774 -1.064 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.055 -8.481 -2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.596 -7.959 -2.062 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.501 -5.366 -2.062 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.578 -4.657 -3.678 1.00 0.00 H new ATOM 795 N GLU A 54 9.565 -7.574 2.291 1.00 0.00 N ATOM 796 CA GLU A 54 10.161 -7.982 3.552 1.00 0.00 C ATOM 797 C GLU A 54 11.239 -9.041 3.312 1.00 0.00 C ATOM 798 O GLU A 54 10.952 -10.116 2.788 1.00 0.00 O ATOM 799 CB GLU A 54 9.095 -8.495 4.522 1.00 0.00 C ATOM 800 CG GLU A 54 8.807 -9.979 4.285 1.00 0.00 C ATOM 801 CD GLU A 54 7.522 -10.409 4.995 1.00 0.00 C ATOM 802 OE1 GLU A 54 6.643 -9.534 5.157 1.00 0.00 O ATOM 803 OE2 GLU A 54 7.446 -11.602 5.360 1.00 0.00 O ATOM 0 H GLU A 54 8.547 -7.513 2.300 1.00 0.00 H new ATOM 0 HA GLU A 54 10.631 -7.110 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.430 -8.345 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.178 -7.919 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.717 -10.169 3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.644 -10.577 4.646 1.00 0.00 H new ATOM 810 N ALA A 55 12.457 -8.700 3.706 1.00 0.00 N ATOM 811 CA ALA A 55 13.579 -9.608 3.540 1.00 0.00 C ATOM 812 C ALA A 55 14.753 -9.123 4.393 1.00 0.00 C ATOM 813 O ALA A 55 15.194 -9.823 5.304 1.00 0.00 O ATOM 814 CB ALA A 55 13.940 -9.709 2.056 1.00 0.00 C ATOM 0 H ALA A 55 12.692 -7.807 4.140 1.00 0.00 H new ATOM 0 HA ALA A 55 13.315 -10.609 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.782 -10.390 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.083 -10.086 1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.213 -8.723 1.680 1.00 0.00 H new ATOM 820 N GLU A 56 15.226 -7.929 4.069 1.00 0.00 N ATOM 821 CA GLU A 56 16.339 -7.343 4.794 1.00 0.00 C ATOM 822 C GLU A 56 15.909 -6.034 5.461 1.00 0.00 C ATOM 823 O GLU A 56 14.779 -5.583 5.279 1.00 0.00 O ATOM 824 CB GLU A 56 17.538 -7.118 3.871 1.00 0.00 C ATOM 825 CG GLU A 56 17.226 -6.057 2.814 1.00 0.00 C ATOM 826 CD GLU A 56 16.493 -6.672 1.619 1.00 0.00 C ATOM 827 OE1 GLU A 56 17.115 -7.524 0.949 1.00 0.00 O ATOM 828 OE2 GLU A 56 15.327 -6.275 1.404 1.00 0.00 O ATOM 0 H GLU A 56 14.858 -7.351 3.313 1.00 0.00 H new ATOM 0 HA GLU A 56 16.647 -8.041 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.401 -6.807 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 56 17.806 -8.055 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.615 -5.269 3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.152 -5.591 2.477 1.00 0.00 H new ATOM 835 N CYS A 57 16.832 -5.462 6.219 1.00 0.00 N ATOM 836 CA CYS A 57 16.562 -4.215 6.914 1.00 0.00 C ATOM 837 C CYS A 57 17.283 -3.086 6.173 1.00 0.00 C ATOM 838 O CYS A 57 18.435 -2.778 6.473 1.00 0.00 O ATOM 839 CB CYS A 57 16.975 -4.286 8.386 1.00 0.00 C ATOM 840 SG CYS A 57 16.252 -5.684 9.319 1.00 0.00 S ATOM 0 H CYS A 57 17.768 -5.839 6.367 1.00 0.00 H new ATOM 0 HA CYS A 57 15.489 -4.021 6.915 1.00 0.00 H new ATOM 0 HB2 CYS A 57 18.061 -4.354 8.441 1.00 0.00 H new ATOM 0 HB3 CYS A 57 16.689 -3.355 8.875 1.00 0.00 H new ATOM 0 HG CYS A 57 16.670 -5.647 10.549 1.00 0.00 H new ATOM 845 N THR A 58 16.574 -2.501 5.219 1.00 0.00 N ATOM 846 CA THR A 58 17.131 -1.414 4.433 1.00 0.00 C ATOM 847 C THR A 58 17.669 -0.314 5.350 1.00 0.00 C ATOM 848 O THR A 58 17.404 -0.317 6.551 1.00 0.00 O ATOM 849 CB THR A 58 16.049 -0.925 3.468 1.00 0.00 C ATOM 850 OG1 THR A 58 16.725 0.013 2.635 1.00 0.00 O ATOM 851 CG2 THR A 58 14.972 -0.093 4.168 1.00 0.00 C ATOM 0 H THR A 58 15.619 -2.759 4.973 1.00 0.00 H new ATOM 0 HA THR A 58 17.985 -1.749 3.844 1.00 0.00 H new ATOM 0 HB THR A 58 15.585 -1.782 2.979 1.00 0.00 H new ATOM 0 HG1 THR A 58 16.097 0.379 1.978 1.00 0.00 H new ATOM 0 HG21 THR A 58 14.229 0.229 3.438 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.488 -0.696 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 58 15.430 0.782 4.629 1.00 0.00 H new ATOM 859 N PHE A 59 18.416 0.601 4.749 1.00 0.00 N ATOM 860 CA PHE A 59 18.994 1.705 5.497 1.00 0.00 C ATOM 861 C PHE A 59 18.016 2.222 6.553 1.00 0.00 C ATOM 862 O PHE A 59 18.428 2.624 7.641 1.00 0.00 O ATOM 863 CB PHE A 59 19.281 2.823 4.493 1.00 0.00 C ATOM 864 CG PHE A 59 20.770 3.121 4.302 1.00 0.00 C ATOM 865 CD1 PHE A 59 21.564 3.341 5.384 1.00 0.00 C ATOM 866 CD2 PHE A 59 21.300 3.165 3.050 1.00 0.00 C ATOM 867 CE1 PHE A 59 22.945 3.617 5.207 1.00 0.00 C ATOM 868 CE2 PHE A 59 22.681 3.441 2.873 1.00 0.00 C ATOM 869 CZ PHE A 59 23.475 3.662 3.955 1.00 0.00 C ATOM 0 H PHE A 59 18.634 0.600 3.753 1.00 0.00 H new ATOM 0 HA PHE A 59 19.898 1.376 6.009 1.00 0.00 H new ATOM 0 HB2 PHE A 59 18.849 2.552 3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 59 18.779 3.732 4.824 1.00 0.00 H new ATOM 0 HD1 PHE A 59 21.144 3.306 6.378 1.00 0.00 H new ATOM 0 HD2 PHE A 59 20.670 2.990 2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 59 23.575 3.791 6.067 1.00 0.00 H new ATOM 0 HE2 PHE A 59 23.101 3.476 1.879 1.00 0.00 H new ATOM 0 HZ PHE A 59 24.526 3.873 3.820 1.00 0.00 H new TER 879 PHE A 59