USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 424 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 7 CYS SG : rot 163:sc= 0.648 USER MOD Set 1.2: A 12 ASN : amide:sc= -0.477 K(o=3.8,f=1.6!) USER MOD Set 1.3: A 14 CYS SG : rot 103:sc= 0.0609 USER MOD Set 1.4: A 28 CYS SG : rot -142:sc= 0.96 USER MOD Set 1.5: A 43 CYS SG : rot 13:sc= 1.22 USER MOD Set 1.6: A 54 CYS SG : rot 82:sc= 1.38 USER MOD Set 2.1: A 18 ASN : amide:sc= -0.476 K(o=-0.8,f=0.55) USER MOD Set 2.2: A 24 THR OG1 : rot -135:sc= -0.328 USER MOD Set 3.1: A 8 THR OG1 : rot 121:sc= -0.244 USER MOD Set 3.2: A 10 SER OG : rot 180:sc= 0.123 USER MOD Set 4.1: A 1 ALA N :NH3+ -147:sc= 1.27 (180deg=0) USER MOD Set 4.2: A 47 THR OG1 : rot 170:sc= -0.264 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 6 LYS NZ :NH3+ -154:sc=-0.00926 (180deg=-0.368) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 156:sc= 0.431 USER MOD Single : A 37 THR OG1 : rot -56:sc= 0.78 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -4.26! C(o=-4.3!,f=-5.5!) USER MOD Single : A 41 ASN : amide:sc= -2.28 K(o=-2.3,f=-5.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.19 K(o=-1.2,f=-5.4!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.190 -0.231 1.225 1.00 0.00 N ATOM 2 CA ALA A 1 -14.644 0.342 0.001 1.00 0.00 C ATOM 3 C ALA A 1 -13.289 -0.270 -0.336 1.00 0.00 C ATOM 4 O ALA A 1 -12.805 -1.157 0.367 1.00 0.00 O ATOM 5 CB ALA A 1 -14.525 1.853 0.134 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.227 -0.269 1.158 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.816 -1.193 1.355 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.917 0.359 2.037 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.329 0.112 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.116 2.268 -0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.510 2.281 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.863 2.094 0.966 1.00 0.00 H new ATOM 11 N LYS A 2 -12.680 0.210 -1.416 1.00 0.00 N ATOM 12 CA LYS A 2 -11.380 -0.290 -1.846 1.00 0.00 C ATOM 13 C LYS A 2 -10.559 0.820 -2.494 1.00 0.00 C ATOM 14 O LYS A 2 -11.099 1.849 -2.902 1.00 0.00 O ATOM 15 CB LYS A 2 -11.555 -1.449 -2.829 1.00 0.00 C ATOM 16 CG LYS A 2 -12.251 -2.658 -2.226 1.00 0.00 C ATOM 17 CD LYS A 2 -13.756 -2.587 -2.416 1.00 0.00 C ATOM 18 CE LYS A 2 -14.493 -3.321 -1.306 1.00 0.00 C ATOM 19 NZ LYS A 2 -15.341 -4.424 -1.838 1.00 0.00 N ATOM 0 H LYS A 2 -13.066 0.945 -2.009 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.846 -0.647 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.128 -1.102 -3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.575 -1.751 -3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.868 -3.568 -2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.020 -2.719 -1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.072 -1.544 -2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.023 -3.020 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.771 -3.727 -0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.117 -2.616 -0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.826 -4.899 -1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.047 -4.034 -2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.743 -5.110 -2.341 1.00 0.00 H new ATOM 33 N TYR A 3 -9.251 0.605 -2.589 1.00 0.00 N ATOM 34 CA TYR A 3 -8.356 1.588 -3.187 1.00 0.00 C ATOM 35 C TYR A 3 -7.157 0.907 -3.840 1.00 0.00 C ATOM 36 O TYR A 3 -6.529 0.027 -3.250 1.00 0.00 O ATOM 37 CB TYR A 3 -7.877 2.583 -2.129 1.00 0.00 C ATOM 38 CG TYR A 3 -8.901 3.640 -1.783 1.00 0.00 C ATOM 39 CD1 TYR A 3 -9.857 3.414 -0.801 1.00 0.00 C ATOM 40 CD2 TYR A 3 -8.913 4.865 -2.439 1.00 0.00 C ATOM 41 CE1 TYR A 3 -10.796 4.376 -0.483 1.00 0.00 C ATOM 42 CE2 TYR A 3 -9.848 5.834 -2.126 1.00 0.00 C ATOM 43 CZ TYR A 3 -10.787 5.584 -1.148 1.00 0.00 C ATOM 44 OH TYR A 3 -11.719 6.546 -0.833 1.00 0.00 O ATOM 0 H TYR A 3 -8.787 -0.242 -2.259 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.910 2.125 -3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -7.610 2.037 -1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.970 3.071 -2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.866 2.470 -0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.179 5.063 -3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -11.533 4.183 0.282 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -9.843 6.781 -2.645 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.574 7.338 -1.392 1.00 0.00 H new ATOM 54 N THR A 4 -6.844 1.320 -5.064 1.00 0.00 N ATOM 55 CA THR A 4 -5.721 0.752 -5.799 1.00 0.00 C ATOM 56 C THR A 4 -4.497 1.656 -5.721 1.00 0.00 C ATOM 57 O THR A 4 -4.558 2.832 -6.076 1.00 0.00 O ATOM 58 CB THR A 4 -6.080 0.519 -7.279 1.00 0.00 C ATOM 59 OG1 THR A 4 -7.055 1.477 -7.704 1.00 0.00 O ATOM 60 CG2 THR A 4 -6.617 -0.889 -7.491 1.00 0.00 C ATOM 0 H THR A 4 -7.353 2.046 -5.568 1.00 0.00 H new ATOM 0 HA THR A 4 -5.490 -0.206 -5.333 1.00 0.00 H new ATOM 0 HB THR A 4 -5.173 0.638 -7.873 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.276 1.323 -8.646 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.864 -1.030 -8.543 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.860 -1.615 -7.195 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.513 -1.032 -6.886 1.00 0.00 H new ATOM 68 N GLY A 5 -3.384 1.099 -5.252 1.00 0.00 N ATOM 69 CA GLY A 5 -2.160 1.871 -5.135 1.00 0.00 C ATOM 70 C GLY A 5 -0.940 1.092 -5.585 1.00 0.00 C ATOM 71 O GLY A 5 -1.031 0.226 -6.455 1.00 0.00 O ATOM 0 H GLY A 5 -3.308 0.127 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.248 2.779 -5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.027 2.182 -4.099 1.00 0.00 H new ATOM 75 N LYS A 6 0.208 1.402 -4.991 1.00 0.00 N ATOM 76 CA LYS A 6 1.454 0.726 -5.335 1.00 0.00 C ATOM 77 C LYS A 6 2.538 1.025 -4.303 1.00 0.00 C ATOM 78 O LYS A 6 2.519 2.074 -3.657 1.00 0.00 O ATOM 79 CB LYS A 6 1.924 1.156 -6.726 1.00 0.00 C ATOM 80 CG LYS A 6 1.411 2.522 -7.146 1.00 0.00 C ATOM 81 CD LYS A 6 1.988 2.948 -8.485 1.00 0.00 C ATOM 82 CE LYS A 6 2.513 4.375 -8.438 1.00 0.00 C ATOM 83 NZ LYS A 6 1.482 5.329 -7.945 1.00 0.00 N ATOM 0 H LYS A 6 0.301 2.117 -4.269 1.00 0.00 H new ATOM 0 HA LYS A 6 1.268 -0.348 -5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.014 1.165 -6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.598 0.415 -7.456 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.323 2.499 -7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.671 3.259 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.795 2.272 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.221 2.867 -9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.388 4.419 -7.790 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.839 4.675 -9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.679 6.278 -8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.542 5.019 -8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.504 5.357 -6.906 1.00 0.00 H new ATOM 97 N CYS A 7 3.480 0.101 -4.157 1.00 0.00 N ATOM 98 CA CYS A 7 4.573 0.268 -3.205 1.00 0.00 C ATOM 99 C CYS A 7 5.901 0.454 -3.930 1.00 0.00 C ATOM 100 O CYS A 7 6.056 0.046 -5.082 1.00 0.00 O ATOM 101 CB CYS A 7 4.652 -0.940 -2.272 1.00 0.00 C ATOM 102 SG CYS A 7 3.137 -1.250 -1.335 1.00 0.00 S ATOM 0 H CYS A 7 3.510 -0.771 -4.685 1.00 0.00 H new ATOM 0 HA CYS A 7 4.375 1.162 -2.614 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.890 -1.826 -2.861 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.475 -0.792 -1.573 1.00 0.00 H new ATOM 0 HG CYS A 7 3.156 -2.463 -0.868 1.00 0.00 H new ATOM 108 N THR A 8 6.861 1.072 -3.249 1.00 0.00 N ATOM 109 CA THR A 8 8.176 1.316 -3.827 1.00 0.00 C ATOM 110 C THR A 8 9.229 0.410 -3.198 1.00 0.00 C ATOM 111 O THR A 8 9.211 0.164 -1.992 1.00 0.00 O ATOM 112 CB THR A 8 8.606 2.784 -3.650 1.00 0.00 C ATOM 113 OG1 THR A 8 9.088 2.996 -2.320 1.00 0.00 O ATOM 114 CG2 THR A 8 7.443 3.725 -3.929 1.00 0.00 C ATOM 0 H THR A 8 6.751 1.413 -2.294 1.00 0.00 H new ATOM 0 HA THR A 8 8.099 1.095 -4.892 1.00 0.00 H new ATOM 0 HB THR A 8 9.403 2.995 -4.363 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.015 3.311 -2.354 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.770 4.756 -3.798 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.096 3.582 -4.952 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.628 3.512 -3.237 1.00 0.00 H new ATOM 122 N LYS A 9 10.147 -0.083 -4.022 1.00 0.00 N ATOM 123 CA LYS A 9 11.211 -0.960 -3.548 1.00 0.00 C ATOM 124 C LYS A 9 12.022 -0.284 -2.447 1.00 0.00 C ATOM 125 O LYS A 9 12.681 -0.950 -1.649 1.00 0.00 O ATOM 126 CB LYS A 9 12.131 -1.354 -4.705 1.00 0.00 C ATOM 127 CG LYS A 9 12.543 -0.182 -5.580 1.00 0.00 C ATOM 128 CD LYS A 9 13.814 -0.487 -6.356 1.00 0.00 C ATOM 129 CE LYS A 9 13.508 -0.885 -7.792 1.00 0.00 C ATOM 130 NZ LYS A 9 14.669 -1.558 -8.439 1.00 0.00 N ATOM 0 H LYS A 9 10.176 0.110 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 9 10.751 -1.859 -3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.026 -1.828 -4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.627 -2.098 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.738 0.055 -6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.697 0.701 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.464 0.388 -6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.359 -1.292 -5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.646 -1.552 -7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.236 0.002 -8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.422 -1.814 -9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.485 -0.913 -8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.912 -2.418 -7.907 1.00 0.00 H new ATOM 144 N SER A 10 11.969 1.045 -2.409 1.00 0.00 N ATOM 145 CA SER A 10 12.701 1.810 -1.408 1.00 0.00 C ATOM 146 C SER A 10 11.965 1.803 -0.072 1.00 0.00 C ATOM 147 O SER A 10 12.563 2.017 0.982 1.00 0.00 O ATOM 148 CB SER A 10 12.902 3.250 -1.884 1.00 0.00 C ATOM 149 OG SER A 10 11.708 4.003 -1.752 1.00 0.00 O ATOM 0 H SER A 10 11.427 1.613 -3.060 1.00 0.00 H new ATOM 0 HA SER A 10 13.675 1.340 -1.269 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.698 3.720 -1.306 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.223 3.250 -2.926 1.00 0.00 H new ATOM 0 HG SER A 10 11.864 4.920 -2.061 1.00 0.00 H new ATOM 155 N LYS A 11 10.661 1.554 -0.125 1.00 0.00 N ATOM 156 CA LYS A 11 9.839 1.516 1.080 1.00 0.00 C ATOM 157 C LYS A 11 8.539 0.759 0.828 1.00 0.00 C ATOM 158 O LYS A 11 7.771 1.109 -0.067 1.00 0.00 O ATOM 159 CB LYS A 11 9.531 2.937 1.556 1.00 0.00 C ATOM 160 CG LYS A 11 9.110 3.876 0.439 1.00 0.00 C ATOM 161 CD LYS A 11 8.935 5.299 0.942 1.00 0.00 C ATOM 162 CE LYS A 11 10.250 5.881 1.437 1.00 0.00 C ATOM 163 NZ LYS A 11 10.161 6.323 2.856 1.00 0.00 N ATOM 0 H LYS A 11 10.150 1.375 -0.990 1.00 0.00 H new ATOM 0 HA LYS A 11 10.398 0.993 1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.738 2.897 2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.413 3.345 2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.858 3.859 -0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.175 3.526 0.002 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.538 5.923 0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.203 5.313 1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.038 5.134 1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.532 6.727 0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.077 6.714 3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.427 7.054 2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.917 5.511 3.458 1.00 0.00 H new ATOM 177 N ASN A 12 8.299 -0.278 1.624 1.00 0.00 N ATOM 178 CA ASN A 12 7.091 -1.083 1.488 1.00 0.00 C ATOM 179 C ASN A 12 5.899 -0.389 2.139 1.00 0.00 C ATOM 180 O ASN A 12 5.441 -0.793 3.208 1.00 0.00 O ATOM 181 CB ASN A 12 7.298 -2.462 2.117 1.00 0.00 C ATOM 182 CG ASN A 12 6.057 -3.329 2.031 1.00 0.00 C ATOM 183 OD1 ASN A 12 5.650 -3.745 0.947 1.00 0.00 O ATOM 184 ND2 ASN A 12 5.449 -3.606 3.179 1.00 0.00 N ATOM 0 H ASN A 12 8.925 -0.580 2.370 1.00 0.00 H new ATOM 0 HA ASN A 12 6.883 -1.204 0.425 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.125 -2.966 1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.583 -2.342 3.162 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.609 -4.185 3.185 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.822 -3.240 4.055 1.00 0.00 H new ATOM 191 N GLU A 13 5.400 0.656 1.487 1.00 0.00 N ATOM 192 CA GLU A 13 4.260 1.407 2.003 1.00 0.00 C ATOM 193 C GLU A 13 3.264 1.715 0.890 1.00 0.00 C ATOM 194 O GLU A 13 3.593 1.633 -0.294 1.00 0.00 O ATOM 195 CB GLU A 13 4.732 2.708 2.656 1.00 0.00 C ATOM 196 CG GLU A 13 5.427 3.655 1.691 1.00 0.00 C ATOM 197 CD GLU A 13 4.448 4.458 0.857 1.00 0.00 C ATOM 198 OE1 GLU A 13 3.321 4.702 1.336 1.00 0.00 O ATOM 199 OE2 GLU A 13 4.809 4.843 -0.275 1.00 0.00 O ATOM 0 H GLU A 13 5.767 1.002 0.600 1.00 0.00 H new ATOM 0 HA GLU A 13 3.761 0.793 2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.874 3.216 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.414 2.469 3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.065 4.337 2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.077 3.082 1.030 1.00 0.00 H new ATOM 206 N CYS A 14 2.043 2.068 1.279 1.00 0.00 N ATOM 207 CA CYS A 14 0.996 2.387 0.315 1.00 0.00 C ATOM 208 C CYS A 14 0.791 3.895 0.213 1.00 0.00 C ATOM 209 O CYS A 14 0.202 4.514 1.099 1.00 0.00 O ATOM 210 CB CYS A 14 -0.316 1.709 0.713 1.00 0.00 C ATOM 211 SG CYS A 14 -1.624 1.845 -0.529 1.00 0.00 S ATOM 0 H CYS A 14 1.754 2.140 2.255 1.00 0.00 H new ATOM 0 HA CYS A 14 1.309 2.014 -0.660 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.123 0.654 0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.670 2.146 1.647 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.736 0.717 -1.166 1.00 0.00 H new ATOM 217 N LYS A 15 1.285 4.481 -0.872 1.00 0.00 N ATOM 218 CA LYS A 15 1.157 5.918 -1.091 1.00 0.00 C ATOM 219 C LYS A 15 -0.063 6.231 -1.951 1.00 0.00 C ATOM 220 O LYS A 15 0.053 6.860 -3.003 1.00 0.00 O ATOM 221 CB LYS A 15 2.421 6.466 -1.760 1.00 0.00 C ATOM 222 CG LYS A 15 2.748 5.796 -3.083 1.00 0.00 C ATOM 223 CD LYS A 15 3.464 6.746 -4.027 1.00 0.00 C ATOM 224 CE LYS A 15 4.973 6.692 -3.834 1.00 0.00 C ATOM 225 NZ LYS A 15 5.704 7.107 -5.063 1.00 0.00 N ATOM 0 H LYS A 15 1.778 3.984 -1.614 1.00 0.00 H new ATOM 0 HA LYS A 15 1.028 6.399 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.300 7.537 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.265 6.341 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.372 4.920 -2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.829 5.442 -3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.219 6.490 -5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.111 7.763 -3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.257 7.341 -3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.268 5.679 -3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.728 7.057 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.453 6.472 -5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.442 8.083 -5.310 1.00 0.00 H new ATOM 239 N TYR A 16 -1.230 5.790 -1.497 1.00 0.00 N ATOM 240 CA TYR A 16 -2.471 6.022 -2.226 1.00 0.00 C ATOM 241 C TYR A 16 -3.073 7.375 -1.858 1.00 0.00 C ATOM 242 O TYR A 16 -2.460 8.166 -1.141 1.00 0.00 O ATOM 243 CB TYR A 16 -3.477 4.907 -1.930 1.00 0.00 C ATOM 244 CG TYR A 16 -4.142 5.035 -0.579 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.472 4.675 0.584 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.442 5.514 -0.464 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.077 4.789 1.821 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.054 5.633 0.768 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.368 5.268 1.908 1.00 0.00 C ATOM 250 OH TYR A 16 -5.973 5.384 3.138 1.00 0.00 O ATOM 0 H TYR A 16 -1.343 5.270 -0.627 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.242 6.023 -3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.244 4.906 -2.705 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.967 3.945 -1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.461 4.300 0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.983 5.798 -1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.542 4.505 2.715 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.064 6.010 0.839 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.880 5.738 3.024 1.00 0.00 H new ATOM 260 N LYS A 17 -4.278 7.634 -2.354 1.00 0.00 N ATOM 261 CA LYS A 17 -4.966 8.890 -2.079 1.00 0.00 C ATOM 262 C LYS A 17 -6.391 8.635 -1.599 1.00 0.00 C ATOM 263 O LYS A 17 -7.137 7.876 -2.215 1.00 0.00 O ATOM 264 CB LYS A 17 -4.988 9.768 -3.332 1.00 0.00 C ATOM 265 CG LYS A 17 -5.805 9.182 -4.472 1.00 0.00 C ATOM 266 CD LYS A 17 -5.046 9.237 -5.787 1.00 0.00 C ATOM 267 CE LYS A 17 -5.960 8.959 -6.970 1.00 0.00 C ATOM 268 NZ LYS A 17 -5.996 10.103 -7.923 1.00 0.00 N ATOM 0 H LYS A 17 -4.799 6.990 -2.949 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.422 9.408 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.392 10.747 -3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.965 9.925 -3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.063 8.148 -4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.742 9.730 -4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.588 10.219 -5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.237 8.507 -5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.619 8.064 -7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.968 8.754 -6.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.630 9.875 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.345 10.952 -7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.038 10.282 -8.286 1.00 0.00 H new ATOM 282 N ASN A 18 -6.761 9.276 -0.494 1.00 0.00 N ATOM 283 CA ASN A 18 -8.098 9.118 0.068 1.00 0.00 C ATOM 284 C ASN A 18 -8.842 10.450 0.082 1.00 0.00 C ATOM 285 O ASN A 18 -8.271 11.495 -0.227 1.00 0.00 O ATOM 286 CB ASN A 18 -8.013 8.553 1.488 1.00 0.00 C ATOM 287 CG ASN A 18 -7.854 9.640 2.533 1.00 0.00 C ATOM 288 OD1 ASN A 18 -8.747 9.869 3.348 1.00 0.00 O ATOM 289 ND2 ASN A 18 -6.712 10.317 2.514 1.00 0.00 N ATOM 0 H ASN A 18 -6.155 9.908 0.029 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.650 8.420 -0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.913 7.976 1.701 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.170 7.864 1.553 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.548 11.060 3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.998 10.094 1.820 1.00 0.00 H new ATOM 296 N ASP A 19 -10.120 10.403 0.444 1.00 0.00 N ATOM 297 CA ASP A 19 -10.942 11.606 0.500 1.00 0.00 C ATOM 298 C ASP A 19 -11.267 12.109 -0.904 1.00 0.00 C ATOM 299 O ASP A 19 -12.411 12.041 -1.350 1.00 0.00 O ATOM 300 CB ASP A 19 -10.231 12.701 1.296 1.00 0.00 C ATOM 301 CG ASP A 19 -11.192 13.733 1.848 1.00 0.00 C ATOM 302 OD1 ASP A 19 -12.293 13.343 2.288 1.00 0.00 O ATOM 303 OD2 ASP A 19 -10.844 14.934 1.841 1.00 0.00 O ATOM 0 H ASP A 19 -10.608 9.546 0.703 1.00 0.00 H new ATOM 0 HA ASP A 19 -11.876 11.353 1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.678 12.247 2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.501 13.195 0.656 1.00 0.00 H new ATOM 308 N ALA A 20 -10.250 12.616 -1.595 1.00 0.00 N ATOM 309 CA ALA A 20 -10.427 13.130 -2.947 1.00 0.00 C ATOM 310 C ALA A 20 -9.093 13.555 -3.551 1.00 0.00 C ATOM 311 O ALA A 20 -9.006 14.576 -4.231 1.00 0.00 O ATOM 312 CB ALA A 20 -11.404 14.296 -2.945 1.00 0.00 C ATOM 0 H ALA A 20 -9.296 12.681 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.836 12.329 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.526 14.670 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.368 13.962 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.018 15.093 -2.309 1.00 0.00 H new ATOM 318 N GLY A 21 -8.054 12.765 -3.296 1.00 0.00 N ATOM 319 CA GLY A 21 -6.738 13.078 -3.822 1.00 0.00 C ATOM 320 C GLY A 21 -5.744 13.419 -2.729 1.00 0.00 C ATOM 321 O GLY A 21 -4.671 13.960 -3.001 1.00 0.00 O ATOM 0 H GLY A 21 -8.100 11.914 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.367 12.228 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.816 13.917 -4.513 1.00 0.00 H new ATOM 325 N LYS A 22 -6.099 13.103 -1.488 1.00 0.00 N ATOM 326 CA LYS A 22 -5.231 13.380 -0.350 1.00 0.00 C ATOM 327 C LYS A 22 -4.164 12.300 -0.205 1.00 0.00 C ATOM 328 O LYS A 22 -4.462 11.166 0.172 1.00 0.00 O ATOM 329 CB LYS A 22 -6.056 13.473 0.935 1.00 0.00 C ATOM 330 CG LYS A 22 -6.024 14.847 1.582 1.00 0.00 C ATOM 331 CD LYS A 22 -5.642 14.763 3.051 1.00 0.00 C ATOM 332 CE LYS A 22 -5.905 16.078 3.769 1.00 0.00 C ATOM 333 NZ LYS A 22 -6.592 15.868 5.074 1.00 0.00 N ATOM 0 H LYS A 22 -6.982 12.655 -1.245 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.735 14.335 -0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.090 13.210 0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.686 12.736 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.311 15.482 1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.002 15.318 1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.209 13.965 3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.587 14.503 3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.961 16.597 3.935 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.516 16.722 3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.754 16.787 5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.505 15.396 4.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.998 15.275 5.688 1.00 0.00 H new ATOM 347 N ASP A 23 -2.921 12.659 -0.504 1.00 0.00 N ATOM 348 CA ASP A 23 -1.809 11.721 -0.405 1.00 0.00 C ATOM 349 C ASP A 23 -1.751 11.092 0.984 1.00 0.00 C ATOM 350 O ASP A 23 -1.658 11.793 1.992 1.00 0.00 O ATOM 351 CB ASP A 23 -0.488 12.429 -0.712 1.00 0.00 C ATOM 352 CG ASP A 23 0.119 11.977 -2.027 1.00 0.00 C ATOM 353 OD1 ASP A 23 -0.611 11.952 -3.041 1.00 0.00 O ATOM 354 OD2 ASP A 23 1.323 11.646 -2.041 1.00 0.00 O ATOM 0 H ASP A 23 -2.658 13.593 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.967 10.929 -1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.655 13.506 -0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.219 12.239 0.096 1.00 0.00 H new ATOM 359 N THR A 24 -1.808 9.764 1.029 1.00 0.00 N ATOM 360 CA THR A 24 -1.764 9.041 2.294 1.00 0.00 C ATOM 361 C THR A 24 -0.708 7.942 2.262 1.00 0.00 C ATOM 362 O THR A 24 -0.613 7.186 1.294 1.00 0.00 O ATOM 363 CB THR A 24 -3.131 8.414 2.629 1.00 0.00 C ATOM 364 OG1 THR A 24 -4.122 9.440 2.758 1.00 0.00 O ATOM 365 CG2 THR A 24 -3.056 7.610 3.918 1.00 0.00 C ATOM 0 H THR A 24 -1.885 9.168 0.205 1.00 0.00 H new ATOM 0 HA THR A 24 -1.506 9.767 3.065 1.00 0.00 H new ATOM 0 HB THR A 24 -3.407 7.743 1.816 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.668 9.269 3.554 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.033 7.177 4.134 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.322 6.812 3.807 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.760 8.264 4.738 1.00 0.00 H new ATOM 373 N PHE A 25 0.083 7.857 3.326 1.00 0.00 N ATOM 374 CA PHE A 25 1.133 6.850 3.420 1.00 0.00 C ATOM 375 C PHE A 25 0.952 5.990 4.667 1.00 0.00 C ATOM 376 O PHE A 25 0.655 6.499 5.748 1.00 0.00 O ATOM 377 CB PHE A 25 2.509 7.518 3.444 1.00 0.00 C ATOM 378 CG PHE A 25 2.799 8.341 2.220 1.00 0.00 C ATOM 379 CD1 PHE A 25 2.237 9.597 2.066 1.00 0.00 C ATOM 380 CD2 PHE A 25 3.632 7.856 1.225 1.00 0.00 C ATOM 381 CE1 PHE A 25 2.500 10.355 0.941 1.00 0.00 C ATOM 382 CE2 PHE A 25 3.899 8.610 0.098 1.00 0.00 C ATOM 383 CZ PHE A 25 3.333 9.862 -0.044 1.00 0.00 C ATOM 0 H PHE A 25 0.017 8.474 4.136 1.00 0.00 H new ATOM 0 HA PHE A 25 1.064 6.207 2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.579 8.155 4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.275 6.749 3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.586 9.989 2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.078 6.878 1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.054 11.333 0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.550 8.221 -0.671 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.541 10.454 -0.923 1.00 0.00 H new ATOM 393 N ILE A 26 1.130 4.682 4.507 1.00 0.00 N ATOM 394 CA ILE A 26 0.986 3.752 5.619 1.00 0.00 C ATOM 395 C ILE A 26 1.687 2.429 5.322 1.00 0.00 C ATOM 396 O ILE A 26 1.390 1.766 4.329 1.00 0.00 O ATOM 397 CB ILE A 26 -0.495 3.475 5.934 1.00 0.00 C ATOM 398 CG1 ILE A 26 -0.616 2.460 7.073 1.00 0.00 C ATOM 399 CG2 ILE A 26 -1.217 2.974 4.692 1.00 0.00 C ATOM 400 CD1 ILE A 26 0.062 2.902 8.351 1.00 0.00 C ATOM 0 H ILE A 26 1.374 4.244 3.619 1.00 0.00 H new ATOM 0 HA ILE A 26 1.451 4.222 6.486 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.963 4.407 6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.671 2.277 7.276 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.185 1.512 6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.263 2.783 4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.156 3.728 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.750 2.052 4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.064 2.134 9.114 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.125 3.057 8.164 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.385 3.834 8.697 1.00 0.00 H new ATOM 412 N LYS A 27 2.618 2.050 6.192 1.00 0.00 N ATOM 413 CA LYS A 27 3.359 0.807 6.027 1.00 0.00 C ATOM 414 C LYS A 27 2.414 -0.391 6.001 1.00 0.00 C ATOM 415 O LYS A 27 1.558 -0.537 6.874 1.00 0.00 O ATOM 416 CB LYS A 27 4.377 0.641 7.157 1.00 0.00 C ATOM 417 CG LYS A 27 5.821 0.748 6.697 1.00 0.00 C ATOM 418 CD LYS A 27 6.777 0.828 7.874 1.00 0.00 C ATOM 419 CE LYS A 27 7.083 -0.552 8.437 1.00 0.00 C ATOM 420 NZ LYS A 27 8.511 -0.926 8.246 1.00 0.00 N ATOM 0 H LYS A 27 2.877 2.588 7.019 1.00 0.00 H new ATOM 0 HA LYS A 27 3.887 0.853 5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.190 1.399 7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.226 -0.329 7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.072 -0.115 6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.939 1.632 6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.704 1.308 7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.343 1.453 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.842 -0.572 9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.446 -1.291 7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.678 -1.873 8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.735 -0.932 7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.119 -0.235 8.731 1.00 0.00 H new ATOM 434 N CYS A 28 2.575 -1.244 4.996 1.00 0.00 N ATOM 435 CA CYS A 28 1.736 -2.429 4.857 1.00 0.00 C ATOM 436 C CYS A 28 2.232 -3.555 5.759 1.00 0.00 C ATOM 437 O CYS A 28 3.412 -3.635 6.101 1.00 0.00 O ATOM 438 CB CYS A 28 1.715 -2.897 3.401 1.00 0.00 C ATOM 439 SG CYS A 28 1.407 -1.576 2.205 1.00 0.00 S ATOM 0 H CYS A 28 3.279 -1.137 4.265 1.00 0.00 H new ATOM 0 HA CYS A 28 0.723 -2.164 5.160 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.670 -3.368 3.168 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.947 -3.662 3.287 1.00 0.00 H new ATOM 0 HG CYS A 28 0.650 -2.025 1.248 1.00 0.00 H new ATOM 445 N PRO A 29 1.311 -4.446 6.155 1.00 0.00 N ATOM 446 CA PRO A 29 1.630 -5.582 7.022 1.00 0.00 C ATOM 447 C PRO A 29 2.482 -6.631 6.315 1.00 0.00 C ATOM 448 O PRO A 29 1.959 -7.593 5.750 1.00 0.00 O ATOM 449 CB PRO A 29 0.257 -6.158 7.374 1.00 0.00 C ATOM 450 CG PRO A 29 -0.626 -5.749 6.246 1.00 0.00 C ATOM 451 CD PRO A 29 -0.115 -4.412 5.784 1.00 0.00 C ATOM 0 HA PRO A 29 2.215 -5.279 7.890 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.296 -7.243 7.473 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.106 -5.764 8.324 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.591 -6.480 5.438 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.665 -5.679 6.569 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.248 -4.280 4.710 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.638 -3.591 6.273 1.00 0.00 H new ATOM 459 N LYS A 30 3.797 -6.441 6.349 1.00 0.00 N ATOM 460 CA LYS A 30 4.722 -7.371 5.713 1.00 0.00 C ATOM 461 C LYS A 30 6.000 -7.512 6.532 1.00 0.00 C ATOM 462 O LYS A 30 7.078 -7.104 6.096 1.00 0.00 O ATOM 463 CB LYS A 30 5.060 -6.897 4.297 1.00 0.00 C ATOM 464 CG LYS A 30 3.920 -7.072 3.309 1.00 0.00 C ATOM 465 CD LYS A 30 3.553 -8.536 3.135 1.00 0.00 C ATOM 466 CE LYS A 30 2.493 -8.721 2.060 1.00 0.00 C ATOM 467 NZ LYS A 30 1.558 -9.833 2.389 1.00 0.00 N ATOM 0 H LYS A 30 4.246 -5.650 6.811 1.00 0.00 H new ATOM 0 HA LYS A 30 4.238 -8.346 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.341 -5.844 4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.930 -7.447 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.049 -6.516 3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.205 -6.650 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.444 -9.107 2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.187 -8.935 4.081 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.930 -7.795 1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.976 -8.924 1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.851 -9.927 1.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.092 -10.721 2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.078 -9.628 3.288 1.00 0.00 H new ATOM 481 N PHE A 31 5.875 -8.093 7.721 1.00 0.00 N ATOM 482 CA PHE A 31 7.021 -8.288 8.601 1.00 0.00 C ATOM 483 C PHE A 31 7.795 -9.546 8.216 1.00 0.00 C ATOM 484 O PHE A 31 7.718 -10.568 8.899 1.00 0.00 O ATOM 485 CB PHE A 31 6.563 -8.383 10.057 1.00 0.00 C ATOM 486 CG PHE A 31 6.472 -7.051 10.745 1.00 0.00 C ATOM 487 CD1 PHE A 31 7.577 -6.506 11.379 1.00 0.00 C ATOM 488 CD2 PHE A 31 5.281 -6.344 10.758 1.00 0.00 C ATOM 489 CE1 PHE A 31 7.495 -5.281 12.013 1.00 0.00 C ATOM 490 CE2 PHE A 31 5.192 -5.118 11.391 1.00 0.00 C ATOM 491 CZ PHE A 31 6.302 -4.586 12.018 1.00 0.00 C ATOM 0 H PHE A 31 4.991 -8.437 8.097 1.00 0.00 H new ATOM 0 HA PHE A 31 7.682 -7.428 8.491 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.588 -8.868 10.092 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.256 -9.020 10.607 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.513 -7.045 11.378 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.411 -6.755 10.268 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.363 -4.868 12.504 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.257 -4.578 11.395 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.237 -3.628 12.512 1.00 0.00 H new ATOM 501 N ASP A 32 8.537 -9.464 7.118 1.00 0.00 N ATOM 502 CA ASP A 32 9.324 -10.596 6.641 1.00 0.00 C ATOM 503 C ASP A 32 8.420 -11.762 6.254 1.00 0.00 C ATOM 504 O ASP A 32 8.148 -12.645 7.066 1.00 0.00 O ATOM 505 CB ASP A 32 10.321 -11.039 7.714 1.00 0.00 C ATOM 506 CG ASP A 32 10.969 -9.866 8.422 1.00 0.00 C ATOM 507 OD1 ASP A 32 11.984 -9.351 7.910 1.00 0.00 O ATOM 508 OD2 ASP A 32 10.460 -9.464 9.490 1.00 0.00 O ATOM 0 H ASP A 32 8.611 -8.626 6.541 1.00 0.00 H new ATOM 0 HA ASP A 32 9.874 -10.278 5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.809 -11.663 8.446 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.094 -11.655 7.255 1.00 0.00 H new ATOM 513 N ASN A 33 7.959 -11.758 5.007 1.00 0.00 N ATOM 514 CA ASN A 33 7.084 -12.815 4.513 1.00 0.00 C ATOM 515 C ASN A 33 6.736 -12.590 3.044 1.00 0.00 C ATOM 516 O ASN A 33 6.606 -13.541 2.273 1.00 0.00 O ATOM 517 CB ASN A 33 5.804 -12.879 5.348 1.00 0.00 C ATOM 518 CG ASN A 33 5.408 -14.302 5.691 1.00 0.00 C ATOM 519 OD1 ASN A 33 5.747 -14.812 6.758 1.00 0.00 O ATOM 520 ND2 ASN A 33 4.686 -14.950 4.784 1.00 0.00 N ATOM 0 H ASN A 33 8.177 -11.035 4.321 1.00 0.00 H new ATOM 0 HA ASN A 33 7.615 -13.763 4.602 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.945 -12.312 6.268 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.992 -12.401 4.800 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.390 -15.910 4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.428 -14.487 3.912 1.00 0.00 H new ATOM 527 N LYS A 34 6.587 -11.326 2.665 1.00 0.00 N ATOM 528 CA LYS A 34 6.256 -10.974 1.288 1.00 0.00 C ATOM 529 C LYS A 34 6.252 -9.460 1.100 1.00 0.00 C ATOM 530 O LYS A 34 5.242 -8.876 0.707 1.00 0.00 O ATOM 531 CB LYS A 34 4.889 -11.550 0.908 1.00 0.00 C ATOM 532 CG LYS A 34 4.735 -11.818 -0.579 1.00 0.00 C ATOM 533 CD LYS A 34 3.391 -11.334 -1.096 1.00 0.00 C ATOM 534 CE LYS A 34 2.327 -12.414 -0.982 1.00 0.00 C ATOM 535 NZ LYS A 34 2.163 -13.167 -2.256 1.00 0.00 N ATOM 0 H LYS A 34 6.690 -10.527 3.291 1.00 0.00 H new ATOM 0 HA LYS A 34 7.018 -11.401 0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.731 -12.480 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.111 -10.857 1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.537 -11.320 -1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.836 -12.886 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.079 -10.454 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.490 -11.028 -2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.595 -13.105 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.376 -11.959 -0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.429 -13.894 -2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.882 -12.512 -3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.063 -13.622 -2.509 1.00 0.00 H new ATOM 549 N LYS A 35 7.387 -8.831 1.382 1.00 0.00 N ATOM 550 CA LYS A 35 7.516 -7.385 1.241 1.00 0.00 C ATOM 551 C LYS A 35 7.751 -7.000 -0.217 1.00 0.00 C ATOM 552 O LYS A 35 8.184 -7.822 -1.024 1.00 0.00 O ATOM 553 CB LYS A 35 8.667 -6.869 2.107 1.00 0.00 C ATOM 554 CG LYS A 35 8.519 -7.209 3.580 1.00 0.00 C ATOM 555 CD LYS A 35 9.871 -7.297 4.270 1.00 0.00 C ATOM 556 CE LYS A 35 10.490 -5.921 4.460 1.00 0.00 C ATOM 557 NZ LYS A 35 11.819 -5.998 5.127 1.00 0.00 N ATOM 0 H LYS A 35 8.232 -9.300 1.710 1.00 0.00 H new ATOM 0 HA LYS A 35 6.585 -6.927 1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.604 -7.287 1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.736 -5.787 1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.908 -6.451 4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.994 -8.158 3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.755 -7.782 5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.542 -7.921 3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.598 -5.434 3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.820 -5.301 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.208 -5.040 5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.713 -6.439 6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.466 -6.569 4.547 1.00 0.00 H new ATOM 571 N CYS A 36 7.463 -5.745 -0.545 1.00 0.00 N ATOM 572 CA CYS A 36 7.642 -5.251 -1.905 1.00 0.00 C ATOM 573 C CYS A 36 9.050 -5.550 -2.410 1.00 0.00 C ATOM 574 O CYS A 36 9.992 -5.669 -1.625 1.00 0.00 O ATOM 575 CB CYS A 36 7.376 -3.746 -1.963 1.00 0.00 C ATOM 576 SG CYS A 36 8.628 -2.742 -1.129 1.00 0.00 S ATOM 0 H CYS A 36 7.105 -5.052 0.112 1.00 0.00 H new ATOM 0 HA CYS A 36 6.927 -5.764 -2.549 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.316 -3.439 -3.007 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.404 -3.542 -1.514 1.00 0.00 H new ATOM 0 HG CYS A 36 8.635 -1.546 -1.639 1.00 0.00 H new ATOM 582 N THR A 37 9.187 -5.672 -3.728 1.00 0.00 N ATOM 583 CA THR A 37 10.478 -5.960 -4.338 1.00 0.00 C ATOM 584 C THR A 37 10.501 -5.539 -5.803 1.00 0.00 C ATOM 585 O THR A 37 11.069 -6.228 -6.650 1.00 0.00 O ATOM 586 CB THR A 37 10.824 -7.458 -4.241 1.00 0.00 C ATOM 587 OG1 THR A 37 12.151 -7.688 -4.727 1.00 0.00 O ATOM 588 CG2 THR A 37 9.835 -8.294 -5.039 1.00 0.00 C ATOM 0 H THR A 37 8.419 -5.576 -4.392 1.00 0.00 H new ATOM 0 HA THR A 37 11.222 -5.386 -3.786 1.00 0.00 H new ATOM 0 HB THR A 37 10.765 -7.754 -3.194 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.227 -7.350 -5.644 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.099 -9.348 -4.956 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.829 -8.140 -4.648 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.867 -7.994 -6.086 1.00 0.00 H new ATOM 596 N LYS A 38 9.879 -4.401 -6.096 1.00 0.00 N ATOM 597 CA LYS A 38 9.829 -3.886 -7.459 1.00 0.00 C ATOM 598 C LYS A 38 9.047 -2.578 -7.517 1.00 0.00 C ATOM 599 O LYS A 38 7.904 -2.506 -7.061 1.00 0.00 O ATOM 600 CB LYS A 38 9.189 -4.917 -8.392 1.00 0.00 C ATOM 601 CG LYS A 38 8.823 -4.357 -9.756 1.00 0.00 C ATOM 602 CD LYS A 38 8.619 -5.465 -10.777 1.00 0.00 C ATOM 603 CE LYS A 38 9.924 -5.842 -11.460 1.00 0.00 C ATOM 604 NZ LYS A 38 9.712 -6.814 -12.567 1.00 0.00 N ATOM 0 H LYS A 38 9.403 -3.818 -5.407 1.00 0.00 H new ATOM 0 HA LYS A 38 10.851 -3.693 -7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.877 -5.752 -8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.291 -5.315 -7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.912 -3.764 -9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.611 -3.686 -10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.199 -6.342 -10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.895 -5.142 -11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.401 -4.944 -11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.607 -6.271 -10.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.626 -7.045 -13.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.280 -7.682 -12.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.081 -6.396 -13.280 1.00 0.00 H new ATOM 618 N ASP A 39 9.667 -1.548 -8.081 1.00 0.00 N ATOM 619 CA ASP A 39 9.027 -0.242 -8.201 1.00 0.00 C ATOM 620 C ASP A 39 7.650 -0.369 -8.845 1.00 0.00 C ATOM 621 O ASP A 39 7.515 -0.907 -9.943 1.00 0.00 O ATOM 622 CB ASP A 39 9.903 0.705 -9.023 1.00 0.00 C ATOM 623 CG ASP A 39 10.569 0.008 -10.193 1.00 0.00 C ATOM 624 OD1 ASP A 39 11.637 -0.608 -9.987 1.00 0.00 O ATOM 625 OD2 ASP A 39 10.024 0.079 -11.314 1.00 0.00 O ATOM 0 H ASP A 39 10.612 -1.591 -8.463 1.00 0.00 H new ATOM 0 HA ASP A 39 8.903 0.168 -7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.294 1.529 -9.394 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.668 1.139 -8.379 1.00 0.00 H new ATOM 630 N ASN A 40 6.631 0.130 -8.154 1.00 0.00 N ATOM 631 CA ASN A 40 5.263 0.071 -8.658 1.00 0.00 C ATOM 632 C ASN A 40 4.830 -1.374 -8.887 1.00 0.00 C ATOM 633 O ASN A 40 4.684 -1.816 -10.025 1.00 0.00 O ATOM 634 CB ASN A 40 5.143 0.863 -9.960 1.00 0.00 C ATOM 635 CG ASN A 40 5.095 2.360 -9.725 1.00 0.00 C ATOM 636 OD1 ASN A 40 4.281 3.068 -10.318 1.00 0.00 O ATOM 637 ND2 ASN A 40 5.969 2.850 -8.853 1.00 0.00 N ATOM 0 H ASN A 40 6.726 0.580 -7.243 1.00 0.00 H new ATOM 0 HA ASN A 40 4.607 0.514 -7.909 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.989 0.626 -10.605 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.242 0.552 -10.489 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.983 3.850 -8.652 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.626 2.226 -8.384 1.00 0.00 H new ATOM 644 N ASN A 41 4.626 -2.105 -7.795 1.00 0.00 N ATOM 645 CA ASN A 41 4.208 -3.500 -7.877 1.00 0.00 C ATOM 646 C ASN A 41 2.688 -3.617 -7.830 1.00 0.00 C ATOM 647 O ASN A 41 2.036 -3.793 -8.859 1.00 0.00 O ATOM 648 CB ASN A 41 4.828 -4.307 -6.734 1.00 0.00 C ATOM 649 CG ASN A 41 5.886 -5.279 -7.220 1.00 0.00 C ATOM 650 OD1 ASN A 41 6.063 -5.470 -8.424 1.00 0.00 O ATOM 651 ND2 ASN A 41 6.596 -5.897 -6.284 1.00 0.00 N ATOM 0 H ASN A 41 4.743 -1.755 -6.844 1.00 0.00 H new ATOM 0 HA ASN A 41 4.556 -3.902 -8.829 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.271 -3.624 -6.009 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.044 -4.858 -6.215 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.323 -6.561 -6.551 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.415 -5.708 -5.298 1.00 0.00 H new ATOM 658 N LYS A 42 2.129 -3.517 -6.628 1.00 0.00 N ATOM 659 CA LYS A 42 0.686 -3.610 -6.446 1.00 0.00 C ATOM 660 C LYS A 42 0.315 -3.486 -4.971 1.00 0.00 C ATOM 661 O LYS A 42 1.023 -3.992 -4.100 1.00 0.00 O ATOM 662 CB LYS A 42 0.164 -4.936 -7.004 1.00 0.00 C ATOM 663 CG LYS A 42 -1.263 -5.251 -6.589 1.00 0.00 C ATOM 664 CD LYS A 42 -1.927 -6.212 -7.561 1.00 0.00 C ATOM 665 CE LYS A 42 -3.443 -6.098 -7.509 1.00 0.00 C ATOM 666 NZ LYS A 42 -4.058 -7.218 -6.745 1.00 0.00 N ATOM 0 H LYS A 42 2.654 -3.372 -5.766 1.00 0.00 H new ATOM 0 HA LYS A 42 0.223 -2.787 -6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.220 -4.910 -8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.817 -5.743 -6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.265 -5.685 -5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.840 -4.328 -6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.580 -6.005 -8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.630 -7.234 -7.325 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.720 -5.149 -7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.841 -6.089 -8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.092 -7.104 -6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.815 -8.122 -7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.698 -7.212 -5.769 1.00 0.00 H new ATOM 680 N CYS A 43 -0.798 -2.813 -4.700 1.00 0.00 N ATOM 681 CA CYS A 43 -1.262 -2.623 -3.330 1.00 0.00 C ATOM 682 C CYS A 43 -2.773 -2.422 -3.291 1.00 0.00 C ATOM 683 O CYS A 43 -3.398 -2.126 -4.311 1.00 0.00 O ATOM 684 CB CYS A 43 -0.558 -1.426 -2.691 1.00 0.00 C ATOM 685 SG CYS A 43 -0.422 -1.523 -0.891 1.00 0.00 S ATOM 0 H CYS A 43 -1.396 -2.390 -5.410 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.019 -3.521 -2.763 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.442 -1.337 -3.116 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.098 -0.517 -2.955 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.719 -2.726 -0.498 1.00 0.00 H new ATOM 691 N THR A 44 -3.358 -2.585 -2.109 1.00 0.00 N ATOM 692 CA THR A 44 -4.796 -2.424 -1.937 1.00 0.00 C ATOM 693 C THR A 44 -5.128 -1.903 -0.544 1.00 0.00 C ATOM 694 O THR A 44 -4.402 -2.161 0.416 1.00 0.00 O ATOM 695 CB THR A 44 -5.541 -3.752 -2.168 1.00 0.00 C ATOM 696 OG1 THR A 44 -4.618 -4.768 -2.576 1.00 0.00 O ATOM 697 CG2 THR A 44 -6.622 -3.589 -3.225 1.00 0.00 C ATOM 0 H THR A 44 -2.857 -2.829 -1.255 1.00 0.00 H new ATOM 0 HA THR A 44 -5.124 -1.698 -2.681 1.00 0.00 H new ATOM 0 HB THR A 44 -6.013 -4.046 -1.230 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.100 -5.609 -2.719 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.134 -4.540 -3.371 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.340 -2.836 -2.898 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.168 -3.274 -4.164 1.00 0.00 H new ATOM 705 N VAL A 45 -6.232 -1.168 -0.440 1.00 0.00 N ATOM 706 CA VAL A 45 -6.661 -0.612 0.838 1.00 0.00 C ATOM 707 C VAL A 45 -8.179 -0.477 0.895 1.00 0.00 C ATOM 708 O VAL A 45 -8.779 0.240 0.094 1.00 0.00 O ATOM 709 CB VAL A 45 -6.024 0.766 1.094 1.00 0.00 C ATOM 710 CG1 VAL A 45 -6.515 1.346 2.411 1.00 0.00 C ATOM 711 CG2 VAL A 45 -4.507 0.662 1.080 1.00 0.00 C ATOM 0 H VAL A 45 -6.844 -0.944 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.330 -1.305 1.612 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.327 1.441 0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.054 2.320 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.599 1.459 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.245 0.675 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.073 1.645 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.182 -0.028 1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.176 0.294 0.109 1.00 0.00 H new ATOM 721 N ASP A 46 -8.793 -1.170 1.848 1.00 0.00 N ATOM 722 CA ASP A 46 -10.241 -1.126 2.012 1.00 0.00 C ATOM 723 C ASP A 46 -10.629 -0.248 3.198 1.00 0.00 C ATOM 724 O ASP A 46 -9.856 -0.087 4.144 1.00 0.00 O ATOM 725 CB ASP A 46 -10.798 -2.537 2.202 1.00 0.00 C ATOM 726 CG ASP A 46 -10.804 -3.337 0.914 1.00 0.00 C ATOM 727 OD1 ASP A 46 -9.871 -3.163 0.105 1.00 0.00 O ATOM 728 OD2 ASP A 46 -11.744 -4.135 0.716 1.00 0.00 O ATOM 0 H ASP A 46 -8.310 -1.769 2.518 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.670 -0.693 1.108 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.202 -3.062 2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.814 -2.474 2.591 1.00 0.00 H new ATOM 733 N THR A 47 -11.830 0.319 3.142 1.00 0.00 N ATOM 734 CA THR A 47 -12.318 1.182 4.210 1.00 0.00 C ATOM 735 C THR A 47 -13.058 0.376 5.272 1.00 0.00 C ATOM 736 O THR A 47 -13.285 0.857 6.383 1.00 0.00 O ATOM 737 CB THR A 47 -13.256 2.276 3.664 1.00 0.00 C ATOM 738 OG1 THR A 47 -14.398 1.676 3.042 1.00 0.00 O ATOM 739 CG2 THR A 47 -12.529 3.159 2.661 1.00 0.00 C ATOM 0 H THR A 47 -12.483 0.196 2.368 1.00 0.00 H new ATOM 0 HA THR A 47 -11.445 1.655 4.659 1.00 0.00 H new ATOM 0 HB THR A 47 -13.583 2.896 4.499 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.063 2.368 2.842 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.210 3.924 2.289 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.678 3.636 3.146 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.177 2.550 1.828 1.00 0.00 H new ATOM 747 N TYR A 48 -13.434 -0.849 4.923 1.00 0.00 N ATOM 748 CA TYR A 48 -14.151 -1.720 5.847 1.00 0.00 C ATOM 749 C TYR A 48 -13.420 -1.816 7.183 1.00 0.00 C ATOM 750 O TYR A 48 -13.995 -1.549 8.237 1.00 0.00 O ATOM 751 CB TYR A 48 -14.316 -3.115 5.241 1.00 0.00 C ATOM 752 CG TYR A 48 -14.889 -4.130 6.204 1.00 0.00 C ATOM 753 CD1 TYR A 48 -16.223 -4.075 6.589 1.00 0.00 C ATOM 754 CD2 TYR A 48 -14.097 -5.142 6.730 1.00 0.00 C ATOM 755 CE1 TYR A 48 -16.751 -4.999 7.470 1.00 0.00 C ATOM 756 CE2 TYR A 48 -14.617 -6.072 7.610 1.00 0.00 C ATOM 757 CZ TYR A 48 -15.944 -5.996 7.976 1.00 0.00 C ATOM 758 OH TYR A 48 -16.466 -6.920 8.854 1.00 0.00 O ATOM 0 H TYR A 48 -13.254 -1.261 4.008 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.137 -1.289 6.023 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.965 -3.048 4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -13.346 -3.467 4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -16.858 -3.297 6.193 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -13.057 -5.203 6.446 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.790 -4.941 7.761 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.988 -6.854 8.009 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.767 -7.555 9.115 1.00 0.00 H new ATOM 768 N ASN A 49 -12.149 -2.202 7.128 1.00 0.00 N ATOM 769 CA ASN A 49 -11.340 -2.334 8.333 1.00 0.00 C ATOM 770 C ASN A 49 -9.870 -2.051 8.035 1.00 0.00 C ATOM 771 O ASN A 49 -8.980 -2.717 8.563 1.00 0.00 O ATOM 772 CB ASN A 49 -11.490 -3.738 8.924 1.00 0.00 C ATOM 773 CG ASN A 49 -11.095 -4.823 7.941 1.00 0.00 C ATOM 774 OD1 ASN A 49 -10.580 -4.540 6.860 1.00 0.00 O ATOM 775 ND2 ASN A 49 -11.333 -6.075 8.315 1.00 0.00 N ATOM 0 H ASN A 49 -11.658 -2.428 6.263 1.00 0.00 H new ATOM 0 HA ASN A 49 -11.694 -1.602 9.059 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.874 -3.820 9.819 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.524 -3.891 9.234 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.087 -6.848 7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.762 -6.264 9.221 1.00 0.00 H new ATOM 782 N ASN A 50 -9.625 -1.060 7.186 1.00 0.00 N ATOM 783 CA ASN A 50 -8.263 -0.688 6.816 1.00 0.00 C ATOM 784 C ASN A 50 -7.466 -1.913 6.376 1.00 0.00 C ATOM 785 O ASN A 50 -6.422 -2.224 6.948 1.00 0.00 O ATOM 786 CB ASN A 50 -7.563 -0.004 7.991 1.00 0.00 C ATOM 787 CG ASN A 50 -7.862 1.481 8.058 1.00 0.00 C ATOM 788 OD1 ASN A 50 -8.797 1.908 8.736 1.00 0.00 O ATOM 789 ND2 ASN A 50 -7.066 2.276 7.352 1.00 0.00 N ATOM 0 H ASN A 50 -10.351 -0.499 6.740 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.316 0.008 5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.876 -0.477 8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.486 -0.151 7.905 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.218 3.285 7.357 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.303 1.878 6.804 1.00 0.00 H new ATOM 796 N ALA A 51 -7.966 -2.603 5.356 1.00 0.00 N ATOM 797 CA ALA A 51 -7.299 -3.791 4.838 1.00 0.00 C ATOM 798 C ALA A 51 -6.164 -3.415 3.893 1.00 0.00 C ATOM 799 O ALA A 51 -6.333 -3.408 2.674 1.00 0.00 O ATOM 800 CB ALA A 51 -8.301 -4.691 4.131 1.00 0.00 C ATOM 0 H ALA A 51 -8.830 -2.360 4.872 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.870 -4.334 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.790 -5.575 3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.076 -4.996 4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.756 -4.148 3.302 1.00 0.00 H new ATOM 806 N VAL A 52 -5.005 -3.102 4.463 1.00 0.00 N ATOM 807 CA VAL A 52 -3.840 -2.725 3.671 1.00 0.00 C ATOM 808 C VAL A 52 -3.139 -3.955 3.104 1.00 0.00 C ATOM 809 O VAL A 52 -2.312 -4.574 3.772 1.00 0.00 O ATOM 810 CB VAL A 52 -2.832 -1.914 4.506 1.00 0.00 C ATOM 811 CG1 VAL A 52 -1.673 -1.445 3.638 1.00 0.00 C ATOM 812 CG2 VAL A 52 -3.520 -0.733 5.174 1.00 0.00 C ATOM 0 H VAL A 52 -4.848 -3.102 5.471 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.203 -2.106 2.850 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.432 -2.561 5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.971 -0.874 4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.164 -2.310 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.053 -0.815 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.792 -0.172 5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.951 -0.084 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.311 -1.096 5.830 1.00 0.00 H new ATOM 822 N ASP A 53 -3.478 -4.303 1.867 1.00 0.00 N ATOM 823 CA ASP A 53 -2.880 -5.458 1.207 1.00 0.00 C ATOM 824 C ASP A 53 -1.515 -5.106 0.625 1.00 0.00 C ATOM 825 O ASP A 53 -0.993 -4.016 0.858 1.00 0.00 O ATOM 826 CB ASP A 53 -3.803 -5.975 0.102 1.00 0.00 C ATOM 827 CG ASP A 53 -4.232 -7.410 0.329 1.00 0.00 C ATOM 828 OD1 ASP A 53 -3.409 -8.203 0.834 1.00 0.00 O ATOM 829 OD2 ASP A 53 -5.390 -7.743 0.002 1.00 0.00 O ATOM 0 H ASP A 53 -4.163 -3.802 1.302 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.745 -6.242 1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.687 -5.340 0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.293 -5.899 -0.858 1.00 0.00 H new ATOM 834 N CYS A 54 -0.943 -6.036 -0.131 1.00 0.00 N ATOM 835 CA CYS A 54 0.363 -5.825 -0.745 1.00 0.00 C ATOM 836 C CYS A 54 0.642 -6.884 -1.808 1.00 0.00 C ATOM 837 O CYS A 54 0.262 -8.044 -1.656 1.00 0.00 O ATOM 838 CB CYS A 54 1.461 -5.850 0.319 1.00 0.00 C ATOM 839 SG CYS A 54 2.546 -4.405 0.296 1.00 0.00 S ATOM 0 H CYS A 54 -1.363 -6.943 -0.334 1.00 0.00 H new ATOM 0 HA CYS A 54 0.357 -4.847 -1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.997 -5.927 1.302 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.065 -6.747 0.181 1.00 0.00 H new ATOM 0 HG CYS A 54 1.975 -3.423 0.929 1.00 0.00 H new ATOM 845 N ASP A 55 1.308 -6.474 -2.882 1.00 0.00 N ATOM 846 CA ASP A 55 1.638 -7.388 -3.971 1.00 0.00 C ATOM 847 C ASP A 55 2.323 -8.642 -3.438 1.00 0.00 C ATOM 848 O ASP A 55 2.134 -9.738 -3.970 1.00 0.00 O ATOM 849 CB ASP A 55 2.539 -6.693 -4.992 1.00 0.00 C ATOM 850 CG ASP A 55 3.999 -7.064 -4.822 1.00 0.00 C ATOM 851 OD1 ASP A 55 4.702 -6.372 -4.057 1.00 0.00 O ATOM 852 OD2 ASP A 55 4.440 -8.047 -5.457 1.00 0.00 O ATOM 0 H ASP A 55 1.630 -5.516 -3.022 1.00 0.00 H new ATOM 0 HA ASP A 55 0.710 -7.683 -4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.215 -6.958 -5.998 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.428 -5.613 -4.895 1.00 0.00 H new TER 857 ASP A 55