USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 514 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 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 130:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -158:sc= 1.25 (180deg=1.06) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0958 USER MOD Single : A 23 LYS NZ :NH3+ -142:sc= 1.12 (180deg=-0.535) USER MOD Single : A 25 TYR OH : rot -66:sc= 0.254 USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= -0.036 (180deg=-0.223) USER MOD Single : A 30 MET CE :methyl -175:sc= 0 (180deg=-0.0253) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot -15:sc= -0.749 USER MOD Single : A 33 HIS : no HE2:sc= -0.379 K(o=-0.38,f=-2.9!) USER MOD Single : A 37 ASN : amide:sc= -0.934 K(o=-0.93,f=-0.033) USER MOD Single : A 38 GLN : amide:sc= -0.828 X(o=-0.83,f=-0.83) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.07) USER MOD Single : A 54 TYR OH : rot -27:sc= 1.27 USER MOD Single : A 58 THR OG1 : rot -94:sc= 1.01 USER MOD Single : A 60 SER OG : rot 180:sc= -0.254 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 1.03 (180deg=0.977) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 5 2.873 9.687 2.657 1.00 2.11 N ATOM 53 CA ASP A 5 3.955 8.722 2.703 1.00 1.72 C ATOM 54 C ASP A 5 3.517 7.265 2.777 1.00 1.83 C ATOM 55 O ASP A 5 3.916 6.479 3.639 1.00 3.30 O ATOM 56 CB ASP A 5 4.944 9.162 3.771 1.00 2.83 C ATOM 57 CG ASP A 5 6.279 8.464 3.647 1.00 3.99 C ATOM 58 OD1 ASP A 5 6.524 7.812 2.613 1.00 4.22 O ATOM 59 OD2 ASP A 5 7.127 8.757 4.516 1.00 5.25 O ATOM 0 HA ASP A 5 4.467 8.725 1.741 1.00 1.72 H new ATOM 0 HB2 ASP A 5 5.093 10.239 3.701 1.00 2.83 H new ATOM 0 HB3 ASP A 5 4.523 8.961 4.756 1.00 2.83 H new ATOM 64 N TYR A 6 2.736 6.894 1.768 1.00 0.89 N ATOM 65 CA TYR A 6 2.263 5.542 1.559 1.00 0.83 C ATOM 66 C TYR A 6 3.403 4.525 1.521 1.00 0.83 C ATOM 67 O TYR A 6 3.224 3.366 1.885 1.00 1.28 O ATOM 68 CB TYR A 6 1.452 5.500 0.260 1.00 0.95 C ATOM 69 CG TYR A 6 0.077 6.118 0.377 1.00 1.68 C ATOM 70 CD1 TYR A 6 -0.827 5.576 1.304 1.00 3.18 C ATOM 71 CD2 TYR A 6 -0.337 7.157 -0.476 1.00 2.38 C ATOM 72 CE1 TYR A 6 -2.157 6.005 1.327 1.00 4.05 C ATOM 73 CE2 TYR A 6 -1.678 7.585 -0.458 1.00 3.12 C ATOM 74 CZ TYR A 6 -2.584 7.008 0.445 1.00 3.63 C ATOM 75 OH TYR A 6 -3.878 7.430 0.478 1.00 4.64 O ATOM 0 H TYR A 6 2.409 7.548 1.057 1.00 0.89 H new ATOM 0 HA TYR A 6 1.633 5.262 2.403 1.00 0.83 H new ATOM 0 HB2 TYR A 6 2.008 6.019 -0.521 1.00 0.95 H new ATOM 0 HB3 TYR A 6 1.348 4.463 -0.059 1.00 0.95 H new ATOM 0 HD1 TYR A 6 -0.493 4.824 2.003 1.00 3.18 H new ATOM 0 HD2 TYR A 6 0.372 7.625 -1.143 1.00 2.38 H new ATOM 0 HE1 TYR A 6 -2.855 5.564 2.023 1.00 4.05 H new ATOM 0 HE2 TYR A 6 -2.009 8.356 -1.138 1.00 3.12 H new ATOM 0 HH TYR A 6 -4.011 8.130 -0.195 1.00 4.64 H new ATOM 85 N TYR A 7 4.575 4.953 1.058 1.00 0.71 N ATOM 86 CA TYR A 7 5.757 4.116 1.013 1.00 0.77 C ATOM 87 C TYR A 7 6.053 3.558 2.405 1.00 0.83 C ATOM 88 O TYR A 7 6.351 2.372 2.561 1.00 0.95 O ATOM 89 CB TYR A 7 6.939 4.938 0.491 1.00 0.93 C ATOM 90 CG TYR A 7 6.678 5.664 -0.817 1.00 1.59 C ATOM 91 CD1 TYR A 7 6.140 6.966 -0.816 1.00 2.79 C ATOM 92 CD2 TYR A 7 6.988 5.045 -2.038 1.00 2.82 C ATOM 93 CE1 TYR A 7 5.917 7.645 -2.026 1.00 3.58 C ATOM 94 CE2 TYR A 7 6.829 5.755 -3.237 1.00 3.79 C ATOM 95 CZ TYR A 7 6.301 7.053 -3.238 1.00 3.75 C ATOM 96 OH TYR A 7 6.051 7.661 -4.431 1.00 4.89 O ATOM 0 H TYR A 7 4.726 5.897 0.703 1.00 0.71 H new ATOM 0 HA TYR A 7 5.589 3.276 0.339 1.00 0.77 H new ATOM 0 HB2 TYR A 7 7.217 5.671 1.248 1.00 0.93 H new ATOM 0 HB3 TYR A 7 7.795 4.276 0.359 1.00 0.93 H new ATOM 0 HD1 TYR A 7 5.897 7.445 0.121 1.00 2.79 H new ATOM 0 HD2 TYR A 7 7.347 4.027 -2.054 1.00 2.82 H new ATOM 0 HE1 TYR A 7 5.451 8.619 -2.023 1.00 3.58 H new ATOM 0 HE2 TYR A 7 7.117 5.296 -4.171 1.00 3.79 H new ATOM 0 HH TYR A 7 6.872 7.684 -4.965 1.00 4.89 H new ATOM 106 N GLU A 8 5.952 4.398 3.435 1.00 0.87 N ATOM 107 CA GLU A 8 6.241 4.017 4.778 1.00 1.00 C ATOM 108 C GLU A 8 5.103 3.144 5.284 1.00 0.91 C ATOM 109 O GLU A 8 5.330 2.149 5.968 1.00 0.94 O ATOM 110 CB GLU A 8 6.333 5.337 5.527 1.00 1.24 C ATOM 111 CG GLU A 8 7.024 5.160 6.857 1.00 1.73 C ATOM 112 CD GLU A 8 8.459 4.689 6.731 1.00 1.78 C ATOM 113 OE1 GLU A 8 9.141 5.099 5.776 1.00 3.04 O ATOM 114 OE2 GLU A 8 8.937 3.941 7.607 1.00 2.25 O ATOM 0 H GLU A 8 5.662 5.371 3.337 1.00 0.87 H new ATOM 0 HA GLU A 8 7.157 3.439 4.898 1.00 1.00 H new ATOM 0 HB2 GLU A 8 6.878 6.063 4.924 1.00 1.24 H new ATOM 0 HB3 GLU A 8 5.333 5.740 5.684 1.00 1.24 H new ATOM 0 HG2 GLU A 8 7.006 6.107 7.396 1.00 1.73 H new ATOM 0 HG3 GLU A 8 6.465 4.441 7.456 1.00 1.73 H new ATOM 121 N ILE A 9 3.876 3.510 4.921 1.00 0.86 N ATOM 122 CA ILE A 9 2.692 2.759 5.285 1.00 0.85 C ATOM 123 C ILE A 9 2.830 1.308 4.825 1.00 0.84 C ATOM 124 O ILE A 9 2.527 0.407 5.611 1.00 0.93 O ATOM 125 CB ILE A 9 1.406 3.439 4.788 1.00 0.90 C ATOM 126 CG1 ILE A 9 1.293 4.813 5.474 1.00 1.10 C ATOM 127 CG2 ILE A 9 0.174 2.580 5.110 1.00 1.04 C ATOM 128 CD1 ILE A 9 0.029 5.577 5.091 1.00 1.13 C ATOM 0 H ILE A 9 3.681 4.341 4.363 1.00 0.86 H new ATOM 0 HA ILE A 9 2.604 2.745 6.371 1.00 0.85 H new ATOM 0 HB ILE A 9 1.449 3.560 3.706 1.00 0.90 H new ATOM 0 HG12 ILE A 9 1.312 4.674 6.555 1.00 1.10 H new ATOM 0 HG13 ILE A 9 2.165 5.414 5.215 1.00 1.10 H new ATOM 0 HG21 ILE A 9 -0.724 3.082 4.749 1.00 1.04 H new ATOM 0 HG22 ILE A 9 0.269 1.610 4.622 1.00 1.04 H new ATOM 0 HG23 ILE A 9 0.101 2.438 6.188 1.00 1.04 H new ATOM 0 HD11 ILE A 9 0.012 6.536 5.609 1.00 1.13 H new ATOM 0 HD12 ILE A 9 0.018 5.746 4.014 1.00 1.13 H new ATOM 0 HD13 ILE A 9 -0.848 4.995 5.376 1.00 1.13 H new ATOM 140 N LEU A 10 3.287 1.055 3.592 1.00 0.83 N ATOM 141 CA LEU A 10 3.583 -0.312 3.194 1.00 0.91 C ATOM 142 C LEU A 10 4.808 -0.818 3.961 1.00 0.98 C ATOM 143 O LEU A 10 4.842 -1.964 4.410 1.00 1.20 O ATOM 144 CB LEU A 10 3.775 -0.407 1.677 1.00 1.09 C ATOM 145 CG LEU A 10 2.443 -0.654 0.953 1.00 0.88 C ATOM 146 CD1 LEU A 10 1.523 0.556 1.011 1.00 2.19 C ATOM 147 CD2 LEU A 10 2.685 -0.980 -0.520 1.00 1.81 C ATOM 0 H LEU A 10 3.454 1.762 2.876 1.00 0.83 H new ATOM 0 HA LEU A 10 2.738 -0.953 3.446 1.00 0.91 H new ATOM 0 HB2 LEU A 10 4.225 0.515 1.308 1.00 1.09 H new ATOM 0 HB3 LEU A 10 4.470 -1.215 1.447 1.00 1.09 H new ATOM 0 HG LEU A 10 1.969 -1.491 1.465 1.00 0.88 H new ATOM 0 HD11 LEU A 10 0.594 0.333 0.486 1.00 2.19 H new ATOM 0 HD12 LEU A 10 1.303 0.796 2.051 1.00 2.19 H new ATOM 0 HD13 LEU A 10 2.012 1.408 0.538 1.00 2.19 H new ATOM 0 HD21 LEU A 10 1.730 -1.152 -1.016 1.00 1.81 H new ATOM 0 HD22 LEU A 10 3.197 -0.145 -0.998 1.00 1.81 H new ATOM 0 HD23 LEU A 10 3.301 -1.876 -0.598 1.00 1.81 H new ATOM 159 N GLY A 11 5.826 0.024 4.099 1.00 0.96 N ATOM 160 CA GLY A 11 7.037 -0.304 4.825 1.00 1.08 C ATOM 161 C GLY A 11 7.988 -0.887 3.810 1.00 1.04 C ATOM 162 O GLY A 11 8.274 -2.084 3.823 1.00 1.14 O ATOM 0 H GLY A 11 5.829 0.964 3.703 1.00 0.96 H new ATOM 0 HA2 GLY A 11 7.463 0.583 5.294 1.00 1.08 H new ATOM 0 HA3 GLY A 11 6.832 -1.018 5.622 1.00 1.08 H new ATOM 166 N VAL A 12 8.391 -0.046 2.866 1.00 1.00 N ATOM 167 CA VAL A 12 9.148 -0.445 1.705 1.00 0.98 C ATOM 168 C VAL A 12 9.936 0.773 1.237 1.00 1.16 C ATOM 169 O VAL A 12 9.718 1.888 1.709 1.00 1.32 O ATOM 170 CB VAL A 12 8.172 -1.008 0.659 1.00 0.84 C ATOM 171 CG1 VAL A 12 7.241 0.063 0.086 1.00 0.95 C ATOM 172 CG2 VAL A 12 8.845 -1.769 -0.479 1.00 0.90 C ATOM 0 H VAL A 12 8.192 0.954 2.895 1.00 1.00 H new ATOM 0 HA VAL A 12 9.867 -1.239 1.909 1.00 0.98 H new ATOM 0 HB VAL A 12 7.577 -1.730 1.219 1.00 0.84 H new ATOM 0 HG11 VAL A 12 6.574 -0.390 -0.647 1.00 0.95 H new ATOM 0 HG12 VAL A 12 6.652 0.501 0.891 1.00 0.95 H new ATOM 0 HG13 VAL A 12 7.834 0.841 -0.395 1.00 0.95 H new ATOM 0 HG21 VAL A 12 8.086 -2.133 -1.172 1.00 0.90 H new ATOM 0 HG22 VAL A 12 9.530 -1.105 -1.006 1.00 0.90 H new ATOM 0 HG23 VAL A 12 9.400 -2.614 -0.073 1.00 0.90 H new ATOM 182 N SER A 13 10.877 0.549 0.331 1.00 1.27 N ATOM 183 CA SER A 13 11.762 1.575 -0.155 1.00 1.61 C ATOM 184 C SER A 13 10.947 2.638 -0.892 1.00 1.78 C ATOM 185 O SER A 13 10.027 2.316 -1.638 1.00 1.99 O ATOM 186 CB SER A 13 12.790 0.901 -1.067 1.00 1.74 C ATOM 187 OG SER A 13 14.071 0.993 -0.478 1.00 1.92 O ATOM 0 H SER A 13 11.042 -0.366 -0.087 1.00 1.27 H new ATOM 0 HA SER A 13 12.285 2.078 0.658 1.00 1.61 H new ATOM 0 HB2 SER A 13 12.524 -0.144 -1.223 1.00 1.74 H new ATOM 0 HB3 SER A 13 12.793 1.379 -2.046 1.00 1.74 H new ATOM 0 HG SER A 13 14.730 0.560 -1.060 1.00 1.92 H new ATOM 193 N LYS A 14 11.294 3.909 -0.722 1.00 1.96 N ATOM 194 CA LYS A 14 10.611 4.997 -1.398 1.00 2.26 C ATOM 195 C LYS A 14 10.842 4.949 -2.909 1.00 2.26 C ATOM 196 O LYS A 14 9.974 5.341 -3.685 1.00 3.09 O ATOM 197 CB LYS A 14 10.949 6.313 -0.680 1.00 2.53 C ATOM 198 CG LYS A 14 10.046 6.364 0.566 1.00 3.62 C ATOM 199 CD LYS A 14 10.675 6.991 1.812 1.00 4.05 C ATOM 200 CE LYS A 14 9.823 6.546 3.015 1.00 5.57 C ATOM 201 NZ LYS A 14 10.408 6.903 4.315 1.00 6.03 N ATOM 0 H LYS A 14 12.055 4.210 -0.113 1.00 1.96 H new ATOM 0 HA LYS A 14 9.528 4.900 -1.327 1.00 2.26 H new ATOM 0 HB2 LYS A 14 12.002 6.345 -0.400 1.00 2.53 H new ATOM 0 HB3 LYS A 14 10.766 7.169 -1.329 1.00 2.53 H new ATOM 0 HG2 LYS A 14 9.144 6.922 0.316 1.00 3.62 H new ATOM 0 HG3 LYS A 14 9.735 5.348 0.810 1.00 3.62 H new ATOM 0 HD2 LYS A 14 11.708 6.665 1.929 1.00 4.05 H new ATOM 0 HD3 LYS A 14 10.691 8.078 1.731 1.00 4.05 H new ATOM 0 HE2 LYS A 14 8.834 6.997 2.935 1.00 5.57 H new ATOM 0 HE3 LYS A 14 9.686 5.466 2.972 1.00 5.57 H new ATOM 0 HZ1 LYS A 14 10.018 6.283 5.053 1.00 6.03 H new ATOM 0 HZ2 LYS A 14 11.441 6.786 4.275 1.00 6.03 H new ATOM 0 HZ3 LYS A 14 10.180 7.893 4.538 1.00 6.03 H new ATOM 215 N THR A 15 11.960 4.370 -3.334 1.00 1.91 N ATOM 216 CA THR A 15 12.252 4.113 -4.734 1.00 2.45 C ATOM 217 C THR A 15 11.665 2.789 -5.237 1.00 1.95 C ATOM 218 O THR A 15 11.927 2.410 -6.376 1.00 2.20 O ATOM 219 CB THR A 15 13.779 4.148 -4.892 1.00 3.35 C ATOM 220 OG1 THR A 15 14.404 3.436 -3.837 1.00 3.36 O ATOM 221 CG2 THR A 15 14.237 5.603 -4.837 1.00 4.00 C ATOM 0 H THR A 15 12.699 4.062 -2.702 1.00 1.91 H new ATOM 0 HA THR A 15 11.778 4.879 -5.348 1.00 2.45 H new ATOM 0 HB THR A 15 14.052 3.687 -5.842 1.00 3.35 H new ATOM 0 HG1 THR A 15 15.377 3.466 -3.953 1.00 3.36 H new ATOM 0 HG21 THR A 15 15.320 5.648 -4.948 1.00 4.00 H new ATOM 0 HG22 THR A 15 13.766 6.163 -5.645 1.00 4.00 H new ATOM 0 HG23 THR A 15 13.952 6.038 -3.879 1.00 4.00 H new ATOM 229 N ALA A 16 10.901 2.072 -4.410 1.00 1.47 N ATOM 230 CA ALA A 16 10.415 0.743 -4.742 1.00 1.33 C ATOM 231 C ALA A 16 9.531 0.793 -5.981 1.00 1.30 C ATOM 232 O ALA A 16 8.456 1.395 -5.936 1.00 1.34 O ATOM 233 CB ALA A 16 9.633 0.186 -3.553 1.00 1.33 C ATOM 0 H ALA A 16 10.605 2.402 -3.492 1.00 1.47 H new ATOM 0 HA ALA A 16 11.262 0.092 -4.958 1.00 1.33 H new ATOM 0 HB1 ALA A 16 9.265 -0.811 -3.795 1.00 1.33 H new ATOM 0 HB2 ALA A 16 10.286 0.131 -2.682 1.00 1.33 H new ATOM 0 HB3 ALA A 16 8.790 0.841 -3.333 1.00 1.33 H new ATOM 239 N GLU A 17 9.944 0.138 -7.066 1.00 1.41 N ATOM 240 CA GLU A 17 9.120 -0.055 -8.233 1.00 1.48 C ATOM 241 C GLU A 17 7.823 -0.730 -7.796 1.00 1.34 C ATOM 242 O GLU A 17 7.783 -1.409 -6.764 1.00 1.24 O ATOM 243 CB GLU A 17 9.903 -0.940 -9.214 1.00 1.72 C ATOM 244 CG GLU A 17 9.360 -0.817 -10.630 1.00 2.00 C ATOM 245 CD GLU A 17 10.155 -1.646 -11.610 1.00 2.06 C ATOM 246 OE1 GLU A 17 11.310 -1.271 -11.894 1.00 2.82 O ATOM 247 OE2 GLU A 17 9.620 -2.673 -12.074 1.00 2.87 O ATOM 0 H GLU A 17 10.873 -0.274 -7.148 1.00 1.41 H new ATOM 0 HA GLU A 17 8.873 0.888 -8.720 1.00 1.48 H new ATOM 0 HB2 GLU A 17 10.956 -0.657 -9.201 1.00 1.72 H new ATOM 0 HB3 GLU A 17 9.848 -1.980 -8.891 1.00 1.72 H new ATOM 0 HG2 GLU A 17 8.317 -1.134 -10.648 1.00 2.00 H new ATOM 0 HG3 GLU A 17 9.381 0.228 -10.938 1.00 2.00 H new ATOM 254 N GLU A 18 6.766 -0.613 -8.591 1.00 1.38 N ATOM 255 CA GLU A 18 5.534 -1.330 -8.314 1.00 1.27 C ATOM 256 C GLU A 18 5.830 -2.833 -8.154 1.00 1.13 C ATOM 257 O GLU A 18 5.261 -3.517 -7.320 1.00 0.99 O ATOM 258 CB GLU A 18 4.541 -1.069 -9.444 1.00 1.45 C ATOM 259 CG GLU A 18 3.118 -1.439 -9.029 1.00 2.53 C ATOM 260 CD GLU A 18 2.749 -2.846 -9.406 1.00 3.87 C ATOM 261 OE1 GLU A 18 2.943 -3.190 -10.593 1.00 4.79 O ATOM 262 OE2 GLU A 18 2.225 -3.578 -8.547 1.00 4.78 O ATOM 0 H GLU A 18 6.740 -0.031 -9.428 1.00 1.38 H new ATOM 0 HA GLU A 18 5.094 -0.979 -7.381 1.00 1.27 H new ATOM 0 HB2 GLU A 18 4.578 -0.017 -9.727 1.00 1.45 H new ATOM 0 HB3 GLU A 18 4.827 -1.646 -10.323 1.00 1.45 H new ATOM 0 HG2 GLU A 18 3.016 -1.318 -7.951 1.00 2.53 H new ATOM 0 HG3 GLU A 18 2.417 -0.747 -9.495 1.00 2.53 H new ATOM 269 N ARG A 19 6.791 -3.353 -8.921 1.00 1.23 N ATOM 270 CA ARG A 19 7.239 -4.737 -8.822 1.00 1.22 C ATOM 271 C ARG A 19 7.649 -5.113 -7.387 1.00 1.08 C ATOM 272 O ARG A 19 7.476 -6.265 -6.972 1.00 1.13 O ATOM 273 CB ARG A 19 8.394 -4.962 -9.816 1.00 1.50 C ATOM 274 CG ARG A 19 8.109 -6.072 -10.835 1.00 2.20 C ATOM 275 CD ARG A 19 8.320 -7.446 -10.199 1.00 2.08 C ATOM 276 NE ARG A 19 7.332 -8.428 -10.668 1.00 3.15 N ATOM 277 CZ ARG A 19 7.601 -9.520 -11.398 1.00 4.00 C ATOM 278 NH1 ARG A 19 8.758 -9.642 -12.048 1.00 4.03 N ATOM 279 NH2 ARG A 19 6.704 -10.500 -11.447 1.00 5.42 N ATOM 0 H ARG A 19 7.283 -2.816 -9.635 1.00 1.23 H new ATOM 0 HA ARG A 19 6.407 -5.393 -9.079 1.00 1.22 H new ATOM 0 HB2 ARG A 19 8.593 -4.032 -10.348 1.00 1.50 H new ATOM 0 HB3 ARG A 19 9.299 -5.211 -9.261 1.00 1.50 H new ATOM 0 HG2 ARG A 19 7.085 -5.986 -11.199 1.00 2.20 H new ATOM 0 HG3 ARG A 19 8.765 -5.959 -11.698 1.00 2.20 H new ATOM 0 HD2 ARG A 19 9.324 -7.802 -10.431 1.00 2.08 H new ATOM 0 HD3 ARG A 19 8.256 -7.357 -9.115 1.00 2.08 H new ATOM 0 HE ARG A 19 6.357 -8.265 -10.416 1.00 3.15 H new ATOM 0 HH11 ARG A 19 9.454 -8.898 -11.994 1.00 4.03 H new ATOM 0 HH12 ARG A 19 8.948 -10.479 -12.599 1.00 4.03 H new ATOM 0 HH21 ARG A 19 5.827 -10.414 -10.934 1.00 5.42 H new ATOM 0 HH22 ARG A 19 6.893 -11.337 -11.998 1.00 5.42 H new ATOM 293 N GLU A 20 8.223 -4.163 -6.646 1.00 1.07 N ATOM 294 CA GLU A 20 8.624 -4.322 -5.257 1.00 1.00 C ATOM 295 C GLU A 20 7.412 -4.057 -4.348 1.00 0.84 C ATOM 296 O GLU A 20 7.173 -4.798 -3.398 1.00 0.79 O ATOM 297 CB GLU A 20 9.826 -3.411 -4.991 1.00 1.23 C ATOM 298 CG GLU A 20 10.465 -3.570 -3.603 1.00 1.31 C ATOM 299 CD GLU A 20 11.352 -4.794 -3.470 1.00 1.78 C ATOM 300 OE1 GLU A 20 11.415 -5.614 -4.411 1.00 3.06 O ATOM 301 OE2 GLU A 20 12.006 -4.928 -2.416 1.00 2.26 O ATOM 0 H GLU A 20 8.426 -3.233 -7.013 1.00 1.07 H new ATOM 0 HA GLU A 20 8.948 -5.339 -5.036 1.00 1.00 H new ATOM 0 HB2 GLU A 20 10.585 -3.605 -5.749 1.00 1.23 H new ATOM 0 HB3 GLU A 20 9.512 -2.375 -5.113 1.00 1.23 H new ATOM 0 HG2 GLU A 20 11.055 -2.680 -3.381 1.00 1.31 H new ATOM 0 HG3 GLU A 20 9.675 -3.623 -2.854 1.00 1.31 H new ATOM 308 N ILE A 21 6.575 -3.072 -4.682 1.00 0.83 N ATOM 309 CA ILE A 21 5.302 -2.843 -3.989 1.00 0.76 C ATOM 310 C ILE A 21 4.453 -4.122 -3.977 1.00 0.73 C ATOM 311 O ILE A 21 3.777 -4.419 -2.995 1.00 0.75 O ATOM 312 CB ILE A 21 4.556 -1.673 -4.655 1.00 0.83 C ATOM 313 CG1 ILE A 21 5.294 -0.336 -4.504 1.00 0.90 C ATOM 314 CG2 ILE A 21 3.107 -1.527 -4.191 1.00 0.85 C ATOM 315 CD1 ILE A 21 5.121 0.253 -3.109 1.00 0.94 C ATOM 0 H ILE A 21 6.758 -2.412 -5.438 1.00 0.83 H new ATOM 0 HA ILE A 21 5.499 -2.578 -2.950 1.00 0.76 H new ATOM 0 HB ILE A 21 4.534 -1.935 -5.713 1.00 0.83 H new ATOM 0 HG12 ILE A 21 6.355 -0.482 -4.708 1.00 0.90 H new ATOM 0 HG13 ILE A 21 4.921 0.371 -5.245 1.00 0.90 H new ATOM 0 HG21 ILE A 21 2.645 -0.683 -4.702 1.00 0.85 H new ATOM 0 HG22 ILE A 21 2.557 -2.438 -4.425 1.00 0.85 H new ATOM 0 HG23 ILE A 21 3.085 -1.356 -3.115 1.00 0.85 H new ATOM 0 HD11 ILE A 21 5.659 1.199 -3.044 1.00 0.94 H new ATOM 0 HD12 ILE A 21 4.062 0.424 -2.915 1.00 0.94 H new ATOM 0 HD13 ILE A 21 5.518 -0.442 -2.369 1.00 0.94 H new ATOM 327 N ARG A 22 4.545 -4.918 -5.038 1.00 0.75 N ATOM 328 CA ARG A 22 3.910 -6.221 -5.166 1.00 0.84 C ATOM 329 C ARG A 22 4.311 -7.078 -3.954 1.00 0.70 C ATOM 330 O ARG A 22 3.479 -7.717 -3.310 1.00 0.75 O ATOM 331 CB ARG A 22 4.422 -6.870 -6.469 1.00 1.06 C ATOM 332 CG ARG A 22 3.352 -7.542 -7.333 1.00 1.50 C ATOM 333 CD ARG A 22 2.635 -6.531 -8.245 1.00 1.42 C ATOM 334 NE ARG A 22 1.738 -7.225 -9.186 1.00 2.01 N ATOM 335 CZ ARG A 22 0.947 -6.603 -10.076 1.00 2.24 C ATOM 336 NH1 ARG A 22 0.992 -5.288 -10.206 1.00 2.99 N ATOM 337 NH2 ARG A 22 0.111 -7.280 -10.856 1.00 2.74 N ATOM 0 H ARG A 22 5.086 -4.661 -5.864 1.00 0.75 H new ATOM 0 HA ARG A 22 2.824 -6.134 -5.200 1.00 0.84 H new ATOM 0 HB2 ARG A 22 4.918 -6.104 -7.065 1.00 1.06 H new ATOM 0 HB3 ARG A 22 5.177 -7.613 -6.212 1.00 1.06 H new ATOM 0 HG2 ARG A 22 3.813 -8.319 -7.943 1.00 1.50 H new ATOM 0 HG3 ARG A 22 2.622 -8.033 -6.690 1.00 1.50 H new ATOM 0 HD2 ARG A 22 2.062 -5.829 -7.639 1.00 1.42 H new ATOM 0 HD3 ARG A 22 3.370 -5.948 -8.799 1.00 1.42 H new ATOM 0 HE ARG A 22 1.716 -8.244 -9.160 1.00 2.01 H new ATOM 0 HH11 ARG A 22 1.630 -4.740 -9.629 1.00 2.99 H new ATOM 0 HH12 ARG A 22 0.389 -4.822 -10.884 1.00 2.99 H new ATOM 0 HH21 ARG A 22 0.059 -8.296 -10.787 1.00 2.74 H new ATOM 0 HH22 ARG A 22 -0.479 -6.783 -11.524 1.00 2.74 H new ATOM 351 N LYS A 23 5.610 -7.089 -3.657 1.00 0.62 N ATOM 352 CA LYS A 23 6.202 -7.811 -2.563 1.00 0.63 C ATOM 353 C LYS A 23 5.652 -7.275 -1.251 1.00 0.59 C ATOM 354 O LYS A 23 5.175 -8.046 -0.425 1.00 0.62 O ATOM 355 CB LYS A 23 7.732 -7.719 -2.594 1.00 0.70 C ATOM 356 CG LYS A 23 8.344 -7.941 -3.972 1.00 1.51 C ATOM 357 CD LYS A 23 8.011 -9.328 -4.520 1.00 0.99 C ATOM 358 CE LYS A 23 8.877 -9.627 -5.744 1.00 1.53 C ATOM 359 NZ LYS A 23 8.913 -8.515 -6.720 1.00 2.95 N ATOM 0 H LYS A 23 6.296 -6.569 -4.204 1.00 0.62 H new ATOM 0 HA LYS A 23 5.943 -8.866 -2.658 1.00 0.63 H new ATOM 0 HB2 LYS A 23 8.033 -6.737 -2.229 1.00 0.70 H new ATOM 0 HB3 LYS A 23 8.143 -8.455 -1.903 1.00 0.70 H new ATOM 0 HG2 LYS A 23 7.977 -7.180 -4.660 1.00 1.51 H new ATOM 0 HG3 LYS A 23 9.426 -7.823 -3.913 1.00 1.51 H new ATOM 0 HD2 LYS A 23 8.180 -10.082 -3.751 1.00 0.99 H new ATOM 0 HD3 LYS A 23 6.956 -9.378 -4.789 1.00 0.99 H new ATOM 0 HE2 LYS A 23 9.893 -9.847 -5.417 1.00 1.53 H new ATOM 0 HE3 LYS A 23 8.500 -10.523 -6.238 1.00 1.53 H new ATOM 0 HZ1 LYS A 23 8.910 -8.901 -7.686 1.00 2.95 H new ATOM 0 HZ2 LYS A 23 8.079 -7.909 -6.586 1.00 2.95 H new ATOM 0 HZ3 LYS A 23 9.776 -7.953 -6.575 1.00 2.95 H new ATOM 373 N ALA A 24 5.698 -5.951 -1.077 1.00 0.60 N ATOM 374 CA ALA A 24 5.233 -5.306 0.140 1.00 0.61 C ATOM 375 C ALA A 24 3.801 -5.739 0.444 1.00 0.51 C ATOM 376 O ALA A 24 3.505 -6.195 1.546 1.00 0.52 O ATOM 377 CB ALA A 24 5.303 -3.790 0.008 1.00 0.80 C ATOM 0 H ALA A 24 6.059 -5.303 -1.778 1.00 0.60 H new ATOM 0 HA ALA A 24 5.882 -5.610 0.962 1.00 0.61 H new ATOM 0 HB1 ALA A 24 4.950 -3.328 0.930 1.00 0.80 H new ATOM 0 HB2 ALA A 24 6.334 -3.488 -0.178 1.00 0.80 H new ATOM 0 HB3 ALA A 24 4.675 -3.468 -0.823 1.00 0.80 H new ATOM 383 N TYR A 25 2.923 -5.612 -0.546 1.00 0.55 N ATOM 384 CA TYR A 25 1.540 -6.028 -0.436 1.00 0.65 C ATOM 385 C TYR A 25 1.451 -7.494 -0.011 1.00 0.70 C ATOM 386 O TYR A 25 0.700 -7.837 0.903 1.00 0.77 O ATOM 387 CB TYR A 25 0.850 -5.772 -1.774 1.00 0.82 C ATOM 388 CG TYR A 25 -0.649 -5.955 -1.739 1.00 0.75 C ATOM 389 CD1 TYR A 25 -1.472 -4.941 -1.220 1.00 1.62 C ATOM 390 CD2 TYR A 25 -1.225 -7.141 -2.214 1.00 1.95 C ATOM 391 CE1 TYR A 25 -2.868 -5.105 -1.193 1.00 1.91 C ATOM 392 CE2 TYR A 25 -2.623 -7.282 -2.238 1.00 1.91 C ATOM 393 CZ TYR A 25 -3.442 -6.269 -1.723 1.00 1.21 C ATOM 394 OH TYR A 25 -4.790 -6.373 -1.877 1.00 1.49 O ATOM 0 H TYR A 25 3.160 -5.213 -1.454 1.00 0.55 H new ATOM 0 HA TYR A 25 1.031 -5.451 0.336 1.00 0.65 H new ATOM 0 HB2 TYR A 25 1.074 -4.755 -2.098 1.00 0.82 H new ATOM 0 HB3 TYR A 25 1.270 -6.444 -2.522 1.00 0.82 H new ATOM 0 HD1 TYR A 25 -1.030 -4.032 -0.840 1.00 1.62 H new ATOM 0 HD2 TYR A 25 -0.595 -7.946 -2.561 1.00 1.95 H new ATOM 0 HE1 TYR A 25 -3.496 -4.337 -0.766 1.00 1.91 H new ATOM 0 HE2 TYR A 25 -3.067 -8.174 -2.655 1.00 1.91 H new ATOM 0 HH TYR A 25 -5.220 -6.382 -0.996 1.00 1.49 H new ATOM 404 N LYS A 26 2.218 -8.373 -0.654 1.00 0.75 N ATOM 405 CA LYS A 26 2.212 -9.783 -0.324 1.00 0.95 C ATOM 406 C LYS A 26 2.626 -10.024 1.135 1.00 0.93 C ATOM 407 O LYS A 26 1.896 -10.691 1.869 1.00 1.01 O ATOM 408 CB LYS A 26 3.057 -10.566 -1.335 1.00 1.10 C ATOM 409 CG LYS A 26 2.894 -12.084 -1.165 1.00 1.93 C ATOM 410 CD LYS A 26 4.112 -12.693 -0.449 1.00 3.37 C ATOM 411 CE LYS A 26 3.958 -14.204 -0.220 1.00 4.17 C ATOM 412 NZ LYS A 26 3.552 -14.917 -1.447 1.00 4.52 N ATOM 0 H LYS A 26 2.854 -8.123 -1.411 1.00 0.75 H new ATOM 0 HA LYS A 26 1.193 -10.161 -0.401 1.00 0.95 H new ATOM 0 HB2 LYS A 26 2.769 -10.281 -2.347 1.00 1.10 H new ATOM 0 HB3 LYS A 26 4.107 -10.298 -1.215 1.00 1.10 H new ATOM 0 HG2 LYS A 26 1.990 -12.294 -0.594 1.00 1.93 H new ATOM 0 HG3 LYS A 26 2.771 -12.552 -2.142 1.00 1.93 H new ATOM 0 HD2 LYS A 26 5.009 -12.507 -1.040 1.00 3.37 H new ATOM 0 HD3 LYS A 26 4.253 -12.195 0.510 1.00 3.37 H new ATOM 0 HE2 LYS A 26 4.902 -14.613 0.140 1.00 4.17 H new ATOM 0 HE3 LYS A 26 3.217 -14.378 0.561 1.00 4.17 H new ATOM 0 HZ1 LYS A 26 3.657 -15.942 -1.304 1.00 4.52 H new ATOM 0 HZ2 LYS A 26 2.559 -14.697 -1.664 1.00 4.52 H new ATOM 0 HZ3 LYS A 26 4.154 -14.615 -2.239 1.00 4.52 H new ATOM 426 N ARG A 27 3.784 -9.506 1.563 1.00 0.86 N ATOM 427 CA ARG A 27 4.235 -9.690 2.941 1.00 0.88 C ATOM 428 C ARG A 27 3.176 -9.166 3.910 1.00 0.80 C ATOM 429 O ARG A 27 2.922 -9.793 4.934 1.00 0.96 O ATOM 430 CB ARG A 27 5.617 -9.087 3.243 1.00 0.96 C ATOM 431 CG ARG A 27 5.721 -7.589 2.970 1.00 2.11 C ATOM 432 CD ARG A 27 7.030 -6.972 3.468 1.00 2.80 C ATOM 433 NE ARG A 27 6.952 -6.479 4.859 1.00 3.43 N ATOM 434 CZ ARG A 27 6.513 -5.254 5.215 1.00 5.18 C ATOM 435 NH1 ARG A 27 5.818 -4.523 4.341 1.00 6.43 N ATOM 436 NH2 ARG A 27 6.764 -4.784 6.438 1.00 6.08 N ATOM 0 H ARG A 27 4.418 -8.962 0.978 1.00 0.86 H new ATOM 0 HA ARG A 27 4.363 -10.763 3.081 1.00 0.88 H new ATOM 0 HB2 ARG A 27 5.860 -9.272 4.289 1.00 0.96 H new ATOM 0 HB3 ARG A 27 6.366 -9.606 2.645 1.00 0.96 H new ATOM 0 HG2 ARG A 27 5.630 -7.415 1.898 1.00 2.11 H new ATOM 0 HG3 ARG A 27 4.883 -7.081 3.447 1.00 2.11 H new ATOM 0 HD2 ARG A 27 7.824 -7.715 3.397 1.00 2.80 H new ATOM 0 HD3 ARG A 27 7.307 -6.147 2.812 1.00 2.80 H new ATOM 0 HE ARG A 27 7.251 -7.110 5.603 1.00 3.43 H new ATOM 0 HH11 ARG A 27 5.622 -4.891 3.410 1.00 6.43 H new ATOM 0 HH12 ARG A 27 5.483 -3.596 4.604 1.00 6.43 H new ATOM 0 HH21 ARG A 27 7.288 -5.351 7.105 1.00 6.08 H new ATOM 0 HH22 ARG A 27 6.432 -3.858 6.707 1.00 6.08 H new ATOM 450 N LEU A 28 2.564 -8.026 3.595 1.00 0.65 N ATOM 451 CA LEU A 28 1.610 -7.374 4.474 1.00 0.63 C ATOM 452 C LEU A 28 0.390 -8.287 4.608 1.00 0.72 C ATOM 453 O LEU A 28 -0.071 -8.575 5.710 1.00 0.82 O ATOM 454 CB LEU A 28 1.210 -6.032 3.856 1.00 0.77 C ATOM 455 CG LEU A 28 2.224 -4.926 4.174 1.00 1.15 C ATOM 456 CD1 LEU A 28 2.049 -3.765 3.193 1.00 1.93 C ATOM 457 CD2 LEU A 28 2.111 -4.397 5.608 1.00 1.28 C ATOM 0 H LEU A 28 2.720 -7.531 2.717 1.00 0.65 H new ATOM 0 HA LEU A 28 2.040 -7.193 5.459 1.00 0.63 H new ATOM 0 HB2 LEU A 28 1.122 -6.143 2.775 1.00 0.77 H new ATOM 0 HB3 LEU A 28 0.228 -5.741 4.228 1.00 0.77 H new ATOM 0 HG LEU A 28 3.213 -5.372 4.072 1.00 1.15 H new ATOM 0 HD11 LEU A 28 2.772 -2.982 3.423 1.00 1.93 H new ATOM 0 HD12 LEU A 28 2.211 -4.121 2.176 1.00 1.93 H new ATOM 0 HD13 LEU A 28 1.039 -3.364 3.280 1.00 1.93 H new ATOM 0 HD21 LEU A 28 2.856 -3.617 5.768 1.00 1.28 H new ATOM 0 HD22 LEU A 28 1.114 -3.985 5.766 1.00 1.28 H new ATOM 0 HD23 LEU A 28 2.282 -5.212 6.311 1.00 1.28 H new ATOM 469 N ALA A 29 -0.118 -8.784 3.483 1.00 0.81 N ATOM 470 CA ALA A 29 -1.268 -9.673 3.470 1.00 1.08 C ATOM 471 C ALA A 29 -1.022 -10.874 4.390 1.00 1.25 C ATOM 472 O ALA A 29 -1.832 -11.174 5.267 1.00 1.49 O ATOM 473 CB ALA A 29 -1.549 -10.114 2.030 1.00 1.24 C ATOM 0 H ALA A 29 0.258 -8.580 2.557 1.00 0.81 H new ATOM 0 HA ALA A 29 -2.145 -9.148 3.848 1.00 1.08 H new ATOM 0 HB1 ALA A 29 -2.411 -10.781 2.015 1.00 1.24 H new ATOM 0 HB2 ALA A 29 -1.757 -9.238 1.415 1.00 1.24 H new ATOM 0 HB3 ALA A 29 -0.679 -10.637 1.633 1.00 1.24 H new ATOM 479 N MET A 30 0.109 -11.562 4.216 1.00 1.27 N ATOM 480 CA MET A 30 0.427 -12.697 5.070 1.00 1.49 C ATOM 481 C MET A 30 0.750 -12.269 6.510 1.00 1.59 C ATOM 482 O MET A 30 0.518 -13.043 7.433 1.00 1.86 O ATOM 483 CB MET A 30 1.478 -13.625 4.439 1.00 1.67 C ATOM 484 CG MET A 30 2.862 -12.985 4.338 1.00 2.51 C ATOM 485 SD MET A 30 4.121 -13.898 3.411 1.00 3.13 S ATOM 486 CE MET A 30 4.236 -15.410 4.390 1.00 3.90 C ATOM 0 H MET A 30 0.807 -11.354 3.502 1.00 1.27 H new ATOM 0 HA MET A 30 -0.475 -13.304 5.150 1.00 1.49 H new ATOM 0 HB2 MET A 30 1.549 -14.538 5.030 1.00 1.67 H new ATOM 0 HB3 MET A 30 1.145 -13.916 3.442 1.00 1.67 H new ATOM 0 HG2 MET A 30 2.749 -12.003 3.879 1.00 2.51 H new ATOM 0 HG3 MET A 30 3.236 -12.824 5.349 1.00 2.51 H new ATOM 0 HE1 MET A 30 5.036 -16.038 3.997 1.00 3.90 H new ATOM 0 HE2 MET A 30 4.451 -15.156 5.428 1.00 3.90 H new ATOM 0 HE3 MET A 30 3.291 -15.951 4.337 1.00 3.90 H new ATOM 496 N LYS A 31 1.270 -11.054 6.721 1.00 1.46 N ATOM 497 CA LYS A 31 1.410 -10.477 8.055 1.00 1.48 C ATOM 498 C LYS A 31 0.038 -10.482 8.720 1.00 1.52 C ATOM 499 O LYS A 31 -0.084 -10.878 9.875 1.00 1.79 O ATOM 500 CB LYS A 31 1.985 -9.051 7.993 1.00 1.35 C ATOM 501 CG LYS A 31 2.634 -8.547 9.290 1.00 1.43 C ATOM 502 CD LYS A 31 1.616 -8.365 10.426 1.00 2.12 C ATOM 503 CE LYS A 31 2.163 -7.402 11.482 1.00 3.10 C ATOM 504 NZ LYS A 31 1.187 -7.141 12.555 1.00 4.41 N ATOM 0 H LYS A 31 1.603 -10.448 5.971 1.00 1.46 H new ATOM 0 HA LYS A 31 2.112 -11.073 8.639 1.00 1.48 H new ATOM 0 HB2 LYS A 31 2.727 -9.011 7.196 1.00 1.35 H new ATOM 0 HB3 LYS A 31 1.183 -8.366 7.717 1.00 1.35 H new ATOM 0 HG2 LYS A 31 3.403 -9.252 9.605 1.00 1.43 H new ATOM 0 HG3 LYS A 31 3.132 -7.597 9.098 1.00 1.43 H new ATOM 0 HD2 LYS A 31 0.678 -7.981 10.025 1.00 2.12 H new ATOM 0 HD3 LYS A 31 1.395 -9.329 10.883 1.00 2.12 H new ATOM 0 HE2 LYS A 31 3.073 -7.818 11.914 1.00 3.10 H new ATOM 0 HE3 LYS A 31 2.437 -6.461 11.006 1.00 3.10 H new ATOM 0 HZ1 LYS A 31 1.600 -6.484 13.248 1.00 4.41 H new ATOM 0 HZ2 LYS A 31 0.328 -6.720 12.148 1.00 4.41 H new ATOM 0 HZ3 LYS A 31 0.944 -8.035 13.028 1.00 4.41 H new ATOM 518 N TYR A 32 -1.002 -10.108 7.983 1.00 1.52 N ATOM 519 CA TYR A 32 -2.311 -9.957 8.589 1.00 1.78 C ATOM 520 C TYR A 32 -2.823 -11.356 8.871 1.00 2.43 C ATOM 521 O TYR A 32 -3.040 -11.668 10.040 1.00 3.83 O ATOM 522 CB TYR A 32 -3.293 -9.231 7.655 1.00 2.46 C ATOM 523 CG TYR A 32 -3.259 -7.717 7.669 1.00 1.77 C ATOM 524 CD1 TYR A 32 -2.071 -7.018 7.965 1.00 2.12 C ATOM 525 CD2 TYR A 32 -4.441 -7.005 7.394 1.00 2.92 C ATOM 526 CE1 TYR A 32 -2.078 -5.616 7.998 1.00 2.76 C ATOM 527 CE2 TYR A 32 -4.439 -5.600 7.409 1.00 3.52 C ATOM 528 CZ TYR A 32 -3.251 -4.914 7.699 1.00 3.20 C ATOM 529 OH TYR A 32 -3.209 -3.561 7.615 1.00 4.44 O ATOM 0 H TYR A 32 -0.963 -9.908 6.984 1.00 1.52 H new ATOM 0 HA TYR A 32 -2.231 -9.358 9.496 1.00 1.78 H new ATOM 0 HB2 TYR A 32 -3.102 -9.565 6.635 1.00 2.46 H new ATOM 0 HB3 TYR A 32 -4.303 -9.550 7.911 1.00 2.46 H new ATOM 0 HD1 TYR A 32 -1.159 -7.560 8.166 1.00 2.12 H new ATOM 0 HD2 TYR A 32 -5.352 -7.540 7.171 1.00 2.92 H new ATOM 0 HE1 TYR A 32 -1.177 -5.078 8.254 1.00 2.76 H new ATOM 0 HE2 TYR A 32 -5.346 -5.052 7.199 1.00 3.52 H new ATOM 0 HH TYR A 32 -2.377 -3.234 8.016 1.00 4.44 H new ATOM 539 N HIS A 33 -2.976 -12.181 7.827 1.00 1.93 N ATOM 540 CA HIS A 33 -3.565 -13.514 7.856 1.00 2.59 C ATOM 541 C HIS A 33 -4.844 -13.534 8.717 1.00 2.78 C ATOM 542 O HIS A 33 -4.739 -13.595 9.940 1.00 2.91 O ATOM 543 CB HIS A 33 -2.504 -14.505 8.341 1.00 3.00 C ATOM 544 CG HIS A 33 -3.041 -15.881 8.673 1.00 4.19 C ATOM 545 ND1 HIS A 33 -3.919 -16.186 9.693 1.00 5.30 N ATOM 546 CD2 HIS A 33 -2.840 -17.024 7.946 1.00 4.94 C ATOM 547 CE1 HIS A 33 -4.251 -17.482 9.578 1.00 6.29 C ATOM 548 NE2 HIS A 33 -3.622 -18.034 8.522 1.00 6.01 N ATOM 0 H HIS A 33 -2.673 -11.915 6.890 1.00 1.93 H new ATOM 0 HA HIS A 33 -3.878 -13.811 6.855 1.00 2.59 H new ATOM 0 HB2 HIS A 33 -1.737 -14.603 7.573 1.00 3.00 H new ATOM 0 HB3 HIS A 33 -2.018 -14.094 9.226 1.00 3.00 H new ATOM 0 HD1 HIS A 33 -4.256 -15.541 10.408 1.00 5.30 H new ATOM 0 HD2 HIS A 33 -2.196 -17.128 7.085 1.00 4.94 H new ATOM 0 HE1 HIS A 33 -4.926 -18.007 10.238 1.00 6.29 H new ATOM 556 N PRO A 34 -6.049 -13.521 8.126 1.00 3.10 N ATOM 557 CA PRO A 34 -7.297 -13.392 8.869 1.00 3.33 C ATOM 558 C PRO A 34 -7.572 -14.617 9.754 1.00 3.78 C ATOM 559 O PRO A 34 -8.381 -15.474 9.411 1.00 4.24 O ATOM 560 CB PRO A 34 -8.375 -13.154 7.805 1.00 3.83 C ATOM 561 CG PRO A 34 -7.807 -13.842 6.564 1.00 4.21 C ATOM 562 CD PRO A 34 -6.306 -13.606 6.697 1.00 3.54 C ATOM 0 HA PRO A 34 -7.267 -12.565 9.579 1.00 3.33 H new ATOM 0 HB2 PRO A 34 -9.332 -13.584 8.100 1.00 3.83 H new ATOM 0 HB3 PRO A 34 -8.542 -12.091 7.634 1.00 3.83 H new ATOM 0 HG2 PRO A 34 -8.048 -14.905 6.546 1.00 4.21 H new ATOM 0 HG3 PRO A 34 -8.204 -13.409 5.646 1.00 4.21 H new ATOM 0 HD2 PRO A 34 -5.740 -14.420 6.245 1.00 3.54 H new ATOM 0 HD3 PRO A 34 -6.007 -12.689 6.190 1.00 3.54 H new ATOM 570 N ASP A 35 -6.920 -14.703 10.913 1.00 4.25 N ATOM 571 CA ASP A 35 -7.200 -15.680 11.950 1.00 5.01 C ATOM 572 C ASP A 35 -8.368 -15.148 12.776 1.00 4.82 C ATOM 573 O ASP A 35 -8.164 -14.424 13.750 1.00 5.90 O ATOM 574 CB ASP A 35 -5.952 -15.937 12.806 1.00 5.63 C ATOM 575 CG ASP A 35 -6.303 -16.687 14.077 1.00 6.46 C ATOM 576 OD1 ASP A 35 -6.724 -17.863 13.989 1.00 6.60 O ATOM 577 OD2 ASP A 35 -6.147 -16.087 15.159 1.00 7.48 O ATOM 0 H ASP A 35 -6.158 -14.071 11.158 1.00 4.25 H new ATOM 0 HA ASP A 35 -7.471 -16.643 11.516 1.00 5.01 H new ATOM 0 HB2 ASP A 35 -5.225 -16.511 12.231 1.00 5.63 H new ATOM 0 HB3 ASP A 35 -5.480 -14.988 13.059 1.00 5.63 H new ATOM 582 N ARG A 36 -9.582 -15.490 12.344 1.00 3.82 N ATOM 583 CA ARG A 36 -10.861 -15.275 13.022 1.00 3.68 C ATOM 584 C ARG A 36 -10.967 -13.929 13.748 1.00 3.59 C ATOM 585 O ARG A 36 -11.490 -13.849 14.860 1.00 4.25 O ATOM 586 CB ARG A 36 -11.184 -16.450 13.964 1.00 4.01 C ATOM 587 CG ARG A 36 -9.970 -16.831 14.816 1.00 4.52 C ATOM 588 CD ARG A 36 -10.302 -17.829 15.923 1.00 5.17 C ATOM 589 NE ARG A 36 -9.083 -18.551 16.310 1.00 5.86 N ATOM 590 CZ ARG A 36 -8.029 -17.955 16.888 1.00 6.49 C ATOM 591 NH1 ARG A 36 -8.217 -16.909 17.691 1.00 7.05 N ATOM 592 NH2 ARG A 36 -6.801 -18.384 16.623 1.00 7.08 N ATOM 0 H ARG A 36 -9.706 -15.958 11.446 1.00 3.82 H new ATOM 0 HA ARG A 36 -11.614 -15.235 12.235 1.00 3.68 H new ATOM 0 HB2 ARG A 36 -12.016 -16.180 14.614 1.00 4.01 H new ATOM 0 HB3 ARG A 36 -11.504 -17.311 13.378 1.00 4.01 H new ATOM 0 HG2 ARG A 36 -9.201 -17.256 14.171 1.00 4.52 H new ATOM 0 HG3 ARG A 36 -9.550 -15.930 15.262 1.00 4.52 H new ATOM 0 HD2 ARG A 36 -10.718 -17.308 16.785 1.00 5.17 H new ATOM 0 HD3 ARG A 36 -11.061 -18.532 15.579 1.00 5.17 H new ATOM 0 HE ARG A 36 -9.035 -19.554 16.131 1.00 5.86 H new ATOM 0 HH11 ARG A 36 -9.161 -16.563 17.865 1.00 7.05 H new ATOM 0 HH12 ARG A 36 -7.417 -16.454 18.132 1.00 7.05 H new ATOM 0 HH21 ARG A 36 -6.661 -19.165 15.982 1.00 7.08 H new ATOM 0 HH22 ARG A 36 -5.998 -17.933 17.061 1.00 7.08 H new ATOM 606 N ASN A 37 -10.511 -12.845 13.123 1.00 3.08 N ATOM 607 CA ASN A 37 -10.678 -11.509 13.681 1.00 3.03 C ATOM 608 C ASN A 37 -12.020 -10.937 13.251 1.00 2.66 C ATOM 609 O ASN A 37 -12.074 -9.885 12.611 1.00 2.82 O ATOM 610 CB ASN A 37 -9.506 -10.605 13.301 1.00 3.49 C ATOM 611 CG ASN A 37 -9.530 -9.342 14.153 1.00 4.58 C ATOM 612 OD1 ASN A 37 -9.093 -9.336 15.299 1.00 5.79 O ATOM 613 ND2 ASN A 37 -10.044 -8.246 13.610 1.00 4.88 N ATOM 0 H ASN A 37 -10.022 -12.868 12.228 1.00 3.08 H new ATOM 0 HA ASN A 37 -10.677 -11.570 14.769 1.00 3.03 H new ATOM 0 HB2 ASN A 37 -8.564 -11.135 13.446 1.00 3.49 H new ATOM 0 HB3 ASN A 37 -9.565 -10.343 12.245 1.00 3.49 H new ATOM 0 HD21 ASN A 37 -10.080 -7.380 14.147 1.00 4.88 H new ATOM 0 HD22 ASN A 37 -10.403 -8.270 12.655 1.00 4.88 H new ATOM 620 N GLN A 38 -13.095 -11.665 13.549 1.00 2.73 N ATOM 621 CA GLN A 38 -14.455 -11.227 13.299 1.00 2.94 C ATOM 622 C GLN A 38 -14.923 -10.498 14.545 1.00 3.05 C ATOM 623 O GLN A 38 -15.422 -11.117 15.486 1.00 3.81 O ATOM 624 CB GLN A 38 -15.349 -12.419 12.955 1.00 3.66 C ATOM 625 CG GLN A 38 -16.680 -12.057 12.275 1.00 4.41 C ATOM 626 CD GLN A 38 -17.530 -11.003 12.980 1.00 5.40 C ATOM 627 OE1 GLN A 38 -17.670 -9.877 12.502 1.00 6.35 O ATOM 628 NE2 GLN A 38 -18.132 -11.330 14.111 1.00 6.03 N ATOM 0 H GLN A 38 -13.038 -12.589 13.977 1.00 2.73 H new ATOM 0 HA GLN A 38 -14.505 -10.556 12.441 1.00 2.94 H new ATOM 0 HB2 GLN A 38 -14.795 -13.093 12.301 1.00 3.66 H new ATOM 0 HB3 GLN A 38 -15.564 -12.969 13.871 1.00 3.66 H new ATOM 0 HG2 GLN A 38 -16.465 -11.705 11.266 1.00 4.41 H new ATOM 0 HG3 GLN A 38 -17.273 -12.966 12.176 1.00 4.41 H new ATOM 0 HE21 GLN A 38 -18.012 -12.265 14.501 1.00 6.03 H new ATOM 0 HE22 GLN A 38 -18.717 -10.648 14.593 1.00 6.03 H new ATOM 637 N GLY A 39 -14.760 -9.185 14.530 1.00 3.06 N ATOM 638 CA GLY A 39 -15.132 -8.341 15.641 1.00 3.48 C ATOM 639 C GLY A 39 -14.718 -6.921 15.311 1.00 3.15 C ATOM 640 O GLY A 39 -15.553 -6.024 15.232 1.00 3.27 O ATOM 0 H GLY A 39 -14.363 -8.677 13.739 1.00 3.06 H new ATOM 0 HA2 GLY A 39 -16.207 -8.393 15.816 1.00 3.48 H new ATOM 0 HA3 GLY A 39 -14.643 -8.678 16.555 1.00 3.48 H new ATOM 644 N ASP A 40 -13.421 -6.712 15.093 1.00 3.00 N ATOM 645 CA ASP A 40 -12.878 -5.377 14.924 1.00 3.05 C ATOM 646 C ASP A 40 -13.368 -4.738 13.623 1.00 2.76 C ATOM 647 O ASP A 40 -13.822 -5.430 12.706 1.00 3.26 O ATOM 648 CB ASP A 40 -11.345 -5.419 14.966 1.00 3.30 C ATOM 649 CG ASP A 40 -10.774 -4.169 15.600 1.00 3.90 C ATOM 650 OD1 ASP A 40 -11.215 -3.071 15.204 1.00 4.65 O ATOM 651 OD2 ASP A 40 -9.918 -4.303 16.497 1.00 4.22 O ATOM 0 H ASP A 40 -12.728 -7.458 15.030 1.00 3.00 H new ATOM 0 HA ASP A 40 -13.234 -4.759 15.748 1.00 3.05 H new ATOM 0 HB2 ASP A 40 -11.019 -6.295 15.527 1.00 3.30 H new ATOM 0 HB3 ASP A 40 -10.955 -5.526 13.954 1.00 3.30 H new ATOM 656 N LYS A 41 -13.191 -3.430 13.489 1.00 2.57 N ATOM 657 CA LYS A 41 -13.392 -2.641 12.281 1.00 2.18 C ATOM 658 C LYS A 41 -12.079 -1.970 11.844 1.00 1.91 C ATOM 659 O LYS A 41 -11.987 -1.503 10.706 1.00 1.92 O ATOM 660 CB LYS A 41 -14.511 -1.615 12.533 1.00 2.43 C ATOM 661 CG LYS A 41 -15.042 -0.954 11.251 1.00 3.11 C ATOM 662 CD LYS A 41 -16.208 -0.010 11.585 1.00 3.68 C ATOM 663 CE LYS A 41 -17.549 -0.757 11.673 1.00 3.61 C ATOM 664 NZ LYS A 41 -18.138 -0.991 10.341 1.00 4.57 N ATOM 0 H LYS A 41 -12.883 -2.855 14.273 1.00 2.57 H new ATOM 0 HA LYS A 41 -13.698 -3.290 11.461 1.00 2.18 H new ATOM 0 HB2 LYS A 41 -15.336 -2.109 13.045 1.00 2.43 H new ATOM 0 HB3 LYS A 41 -14.138 -0.840 13.203 1.00 2.43 H new ATOM 0 HG2 LYS A 41 -14.242 -0.397 10.762 1.00 3.11 H new ATOM 0 HG3 LYS A 41 -15.373 -1.719 10.549 1.00 3.11 H new ATOM 0 HD2 LYS A 41 -16.009 0.490 12.533 1.00 3.68 H new ATOM 0 HD3 LYS A 41 -16.275 0.766 10.823 1.00 3.68 H new ATOM 0 HE2 LYS A 41 -17.400 -1.712 12.177 1.00 3.61 H new ATOM 0 HE3 LYS A 41 -18.246 -0.181 12.282 1.00 3.61 H new ATOM 0 HZ1 LYS A 41 -19.041 -1.497 10.445 1.00 4.57 H new ATOM 0 HZ2 LYS A 41 -18.304 -0.079 9.870 1.00 4.57 H new ATOM 0 HZ3 LYS A 41 -17.485 -1.562 9.768 1.00 4.57 H new ATOM 678 N GLU A 42 -11.063 -1.869 12.710 1.00 1.78 N ATOM 679 CA GLU A 42 -9.842 -1.177 12.337 1.00 1.66 C ATOM 680 C GLU A 42 -9.057 -1.983 11.320 1.00 1.51 C ATOM 681 O GLU A 42 -8.652 -1.437 10.306 1.00 1.44 O ATOM 682 CB GLU A 42 -9.018 -0.698 13.536 1.00 1.97 C ATOM 683 CG GLU A 42 -8.135 -1.751 14.214 1.00 2.03 C ATOM 684 CD GLU A 42 -7.457 -1.154 15.427 1.00 2.63 C ATOM 685 OE1 GLU A 42 -6.959 -0.019 15.305 1.00 3.31 O ATOM 686 OE2 GLU A 42 -7.517 -1.797 16.494 1.00 3.57 O ATOM 0 H GLU A 42 -11.068 -2.253 13.655 1.00 1.78 H new ATOM 0 HA GLU A 42 -10.129 -0.248 11.844 1.00 1.66 H new ATOM 0 HB2 GLU A 42 -8.381 0.123 13.208 1.00 1.97 H new ATOM 0 HB3 GLU A 42 -9.702 -0.293 14.282 1.00 1.97 H new ATOM 0 HG2 GLU A 42 -8.739 -2.608 14.510 1.00 2.03 H new ATOM 0 HG3 GLU A 42 -7.386 -2.116 13.511 1.00 2.03 H new ATOM 693 N ALA A 43 -8.865 -3.276 11.567 1.00 1.54 N ATOM 694 CA ALA A 43 -8.046 -4.124 10.726 1.00 1.45 C ATOM 695 C ALA A 43 -8.471 -4.028 9.263 1.00 1.16 C ATOM 696 O ALA A 43 -7.627 -3.914 8.380 1.00 1.08 O ATOM 697 CB ALA A 43 -8.075 -5.564 11.227 1.00 1.65 C ATOM 0 H ALA A 43 -9.279 -3.762 12.363 1.00 1.54 H new ATOM 0 HA ALA A 43 -7.016 -3.771 10.785 1.00 1.45 H new ATOM 0 HB1 ALA A 43 -7.454 -6.186 10.582 1.00 1.65 H new ATOM 0 HB2 ALA A 43 -7.692 -5.602 12.247 1.00 1.65 H new ATOM 0 HB3 ALA A 43 -9.100 -5.934 11.210 1.00 1.65 H new ATOM 703 N GLU A 44 -9.779 -4.027 9.008 1.00 1.09 N ATOM 704 CA GLU A 44 -10.287 -3.884 7.658 1.00 0.92 C ATOM 705 C GLU A 44 -9.847 -2.537 7.086 1.00 0.80 C ATOM 706 O GLU A 44 -9.285 -2.467 5.997 1.00 0.69 O ATOM 707 CB GLU A 44 -11.810 -4.050 7.648 1.00 1.05 C ATOM 708 CG GLU A 44 -12.310 -4.397 6.241 1.00 1.20 C ATOM 709 CD GLU A 44 -12.000 -5.830 5.861 1.00 2.32 C ATOM 710 OE1 GLU A 44 -12.533 -6.725 6.544 1.00 3.44 O ATOM 711 OE2 GLU A 44 -11.193 -6.037 4.929 1.00 3.47 O ATOM 0 H GLU A 44 -10.500 -4.124 9.723 1.00 1.09 H new ATOM 0 HA GLU A 44 -9.875 -4.666 7.020 1.00 0.92 H new ATOM 0 HB2 GLU A 44 -12.099 -4.836 8.346 1.00 1.05 H new ATOM 0 HB3 GLU A 44 -12.283 -3.130 7.990 1.00 1.05 H new ATOM 0 HG2 GLU A 44 -13.386 -4.234 6.189 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -11.850 -3.724 5.518 1.00 1.20 H new ATOM 718 N ALA A 45 -10.073 -1.450 7.821 1.00 0.93 N ATOM 719 CA ALA A 45 -9.638 -0.134 7.402 1.00 0.94 C ATOM 720 C ALA A 45 -8.123 -0.098 7.178 1.00 0.82 C ATOM 721 O ALA A 45 -7.619 0.579 6.287 1.00 0.77 O ATOM 722 CB ALA A 45 -10.057 0.909 8.436 1.00 1.19 C ATOM 0 H ALA A 45 -10.560 -1.464 8.717 1.00 0.93 H new ATOM 0 HA ALA A 45 -10.118 0.101 6.452 1.00 0.94 H new ATOM 0 HB1 ALA A 45 -9.726 1.896 8.112 1.00 1.19 H new ATOM 0 HB2 ALA A 45 -11.142 0.906 8.537 1.00 1.19 H new ATOM 0 HB3 ALA A 45 -9.603 0.671 9.398 1.00 1.19 H new ATOM 728 N LYS A 46 -7.382 -0.853 7.973 1.00 0.85 N ATOM 729 CA LYS A 46 -5.953 -0.964 7.833 1.00 0.81 C ATOM 730 C LYS A 46 -5.625 -1.753 6.563 1.00 0.65 C ATOM 731 O LYS A 46 -4.616 -1.517 5.904 1.00 0.66 O ATOM 732 CB LYS A 46 -5.376 -1.618 9.086 1.00 1.02 C ATOM 733 CG LYS A 46 -3.930 -1.160 9.242 1.00 1.19 C ATOM 734 CD LYS A 46 -3.269 -1.996 10.338 1.00 1.41 C ATOM 735 CE LYS A 46 -1.810 -1.575 10.480 1.00 2.14 C ATOM 736 NZ LYS A 46 -1.670 -0.329 11.255 1.00 2.68 N ATOM 0 H LYS A 46 -7.766 -1.408 8.738 1.00 0.85 H new ATOM 0 HA LYS A 46 -5.498 0.021 7.733 1.00 0.81 H new ATOM 0 HB2 LYS A 46 -5.960 -1.339 9.963 1.00 1.02 H new ATOM 0 HB3 LYS A 46 -5.424 -2.704 9.004 1.00 1.02 H new ATOM 0 HG2 LYS A 46 -3.393 -1.277 8.301 1.00 1.19 H new ATOM 0 HG3 LYS A 46 -3.894 -0.102 9.500 1.00 1.19 H new ATOM 0 HD2 LYS A 46 -3.793 -1.858 11.283 1.00 1.41 H new ATOM 0 HD3 LYS A 46 -3.332 -3.056 10.091 1.00 1.41 H new ATOM 0 HE2 LYS A 46 -1.248 -2.371 10.968 1.00 2.14 H new ATOM 0 HE3 LYS A 46 -1.374 -1.438 9.491 1.00 2.14 H new ATOM 0 HZ1 LYS A 46 -0.664 -0.077 11.329 1.00 2.68 H new ATOM 0 HZ2 LYS A 46 -2.185 0.437 10.776 1.00 2.68 H new ATOM 0 HZ3 LYS A 46 -2.063 -0.467 12.208 1.00 2.68 H new ATOM 750 N PHE A 47 -6.449 -2.726 6.189 1.00 0.74 N ATOM 751 CA PHE A 47 -6.305 -3.335 4.882 1.00 0.68 C ATOM 752 C PHE A 47 -6.661 -2.300 3.808 1.00 0.63 C ATOM 753 O PHE A 47 -6.128 -2.349 2.699 1.00 0.73 O ATOM 754 CB PHE A 47 -7.134 -4.625 4.756 1.00 0.77 C ATOM 755 CG PHE A 47 -6.968 -5.390 3.450 1.00 0.87 C ATOM 756 CD1 PHE A 47 -5.698 -5.553 2.859 1.00 1.96 C ATOM 757 CD2 PHE A 47 -8.093 -5.972 2.836 1.00 2.11 C ATOM 758 CE1 PHE A 47 -5.570 -6.211 1.623 1.00 2.21 C ATOM 759 CE2 PHE A 47 -7.967 -6.606 1.587 1.00 2.24 C ATOM 760 CZ PHE A 47 -6.708 -6.718 0.974 1.00 1.56 C ATOM 0 H PHE A 47 -7.206 -3.100 6.761 1.00 0.74 H new ATOM 0 HA PHE A 47 -5.269 -3.641 4.739 1.00 0.68 H new ATOM 0 HB2 PHE A 47 -6.869 -5.287 5.580 1.00 0.77 H new ATOM 0 HB3 PHE A 47 -8.187 -4.372 4.876 1.00 0.77 H new ATOM 0 HD1 PHE A 47 -4.820 -5.171 3.358 1.00 1.96 H new ATOM 0 HD2 PHE A 47 -9.055 -5.932 3.325 1.00 2.11 H new ATOM 0 HE1 PHE A 47 -4.596 -6.327 1.172 1.00 2.21 H new ATOM 0 HE2 PHE A 47 -8.841 -7.008 1.097 1.00 2.24 H new ATOM 0 HZ PHE A 47 -6.615 -7.192 0.008 1.00 1.56 H new ATOM 770 N LYS A 48 -7.559 -1.355 4.100 1.00 0.60 N ATOM 771 CA LYS A 48 -7.891 -0.302 3.156 1.00 0.66 C ATOM 772 C LYS A 48 -6.688 0.595 2.914 1.00 0.63 C ATOM 773 O LYS A 48 -6.421 0.903 1.755 1.00 0.70 O ATOM 774 CB LYS A 48 -9.141 0.504 3.520 1.00 0.81 C ATOM 775 CG LYS A 48 -10.350 -0.411 3.377 1.00 0.92 C ATOM 776 CD LYS A 48 -11.653 0.337 3.657 1.00 1.26 C ATOM 777 CE LYS A 48 -12.838 -0.556 3.264 1.00 1.81 C ATOM 778 NZ LYS A 48 -14.055 0.217 2.960 1.00 2.42 N ATOM 0 H LYS A 48 -8.065 -1.304 4.984 1.00 0.60 H new ATOM 0 HA LYS A 48 -8.152 -0.803 2.224 1.00 0.66 H new ATOM 0 HB2 LYS A 48 -9.067 0.881 4.540 1.00 0.81 H new ATOM 0 HB3 LYS A 48 -9.239 1.370 2.866 1.00 0.81 H new ATOM 0 HG2 LYS A 48 -10.377 -0.826 2.370 1.00 0.92 H new ATOM 0 HG3 LYS A 48 -10.256 -1.251 4.065 1.00 0.92 H new ATOM 0 HD2 LYS A 48 -11.715 0.602 4.712 1.00 1.26 H new ATOM 0 HD3 LYS A 48 -11.681 1.269 3.092 1.00 1.26 H new ATOM 0 HE2 LYS A 48 -12.565 -1.153 2.394 1.00 1.81 H new ATOM 0 HE3 LYS A 48 -13.048 -1.252 4.076 1.00 1.81 H new ATOM 0 HZ1 LYS A 48 -14.824 -0.434 2.701 1.00 2.42 H new ATOM 0 HZ2 LYS A 48 -14.335 0.768 3.797 1.00 2.42 H new ATOM 0 HZ3 LYS A 48 -13.867 0.863 2.167 1.00 2.42 H new ATOM 792 N GLU A 49 -5.951 1.008 3.953 1.00 0.57 N ATOM 793 CA GLU A 49 -4.804 1.857 3.722 1.00 0.60 C ATOM 794 C GLU A 49 -3.810 1.123 2.827 1.00 0.58 C ATOM 795 O GLU A 49 -3.397 1.678 1.814 1.00 0.71 O ATOM 796 CB GLU A 49 -4.230 2.422 5.031 1.00 0.66 C ATOM 797 CG GLU A 49 -3.406 1.459 5.892 1.00 1.77 C ATOM 798 CD GLU A 49 -2.745 2.115 7.086 1.00 1.79 C ATOM 799 OE1 GLU A 49 -3.238 3.182 7.514 1.00 1.69 O ATOM 800 OE2 GLU A 49 -1.746 1.557 7.591 1.00 3.07 O ATOM 0 H GLU A 49 -6.130 0.771 4.929 1.00 0.57 H new ATOM 0 HA GLU A 49 -5.100 2.754 3.178 1.00 0.60 H new ATOM 0 HB2 GLU A 49 -3.604 3.280 4.786 1.00 0.66 H new ATOM 0 HB3 GLU A 49 -5.059 2.794 5.634 1.00 0.66 H new ATOM 0 HG2 GLU A 49 -4.054 0.656 6.244 1.00 1.77 H new ATOM 0 HG3 GLU A 49 -2.637 0.999 5.271 1.00 1.77 H new ATOM 807 N ILE A 50 -3.487 -0.137 3.140 1.00 0.50 N ATOM 808 CA ILE A 50 -2.568 -0.904 2.316 1.00 0.56 C ATOM 809 C ILE A 50 -3.102 -0.999 0.886 1.00 0.63 C ATOM 810 O ILE A 50 -2.341 -0.823 -0.053 1.00 0.67 O ATOM 811 CB ILE A 50 -2.292 -2.306 2.888 1.00 0.60 C ATOM 812 CG1 ILE A 50 -1.723 -2.274 4.313 1.00 0.66 C ATOM 813 CG2 ILE A 50 -1.269 -2.998 1.969 1.00 0.73 C ATOM 814 CD1 ILE A 50 -1.859 -3.657 4.958 1.00 0.84 C ATOM 0 H ILE A 50 -3.849 -0.637 3.952 1.00 0.50 H new ATOM 0 HA ILE A 50 -1.615 -0.375 2.312 1.00 0.56 H new ATOM 0 HB ILE A 50 -3.241 -2.841 2.932 1.00 0.60 H new ATOM 0 HG12 ILE A 50 -0.675 -1.975 4.289 1.00 0.66 H new ATOM 0 HG13 ILE A 50 -2.253 -1.531 4.909 1.00 0.66 H new ATOM 0 HG21 ILE A 50 -1.054 -3.996 2.351 1.00 0.73 H new ATOM 0 HG22 ILE A 50 -1.679 -3.075 0.962 1.00 0.73 H new ATOM 0 HG23 ILE A 50 -0.349 -2.413 1.943 1.00 0.73 H new ATOM 0 HD11 ILE A 50 -1.453 -3.628 5.969 1.00 0.84 H new ATOM 0 HD12 ILE A 50 -2.911 -3.938 4.997 1.00 0.84 H new ATOM 0 HD13 ILE A 50 -1.309 -4.390 4.367 1.00 0.84 H new ATOM 826 N LYS A 51 -4.381 -1.320 0.693 1.00 0.68 N ATOM 827 CA LYS A 51 -4.941 -1.510 -0.640 1.00 0.82 C ATOM 828 C LYS A 51 -4.888 -0.210 -1.437 1.00 0.86 C ATOM 829 O LYS A 51 -4.463 -0.195 -2.590 1.00 0.90 O ATOM 830 CB LYS A 51 -6.361 -2.075 -0.507 1.00 0.94 C ATOM 831 CG LYS A 51 -6.994 -2.667 -1.777 1.00 1.37 C ATOM 832 CD LYS A 51 -7.933 -1.747 -2.578 1.00 1.87 C ATOM 833 CE LYS A 51 -7.215 -0.882 -3.627 1.00 2.64 C ATOM 834 NZ LYS A 51 -8.106 -0.459 -4.722 1.00 2.89 N ATOM 0 H LYS A 51 -5.051 -1.454 1.450 1.00 0.68 H new ATOM 0 HA LYS A 51 -4.346 -2.230 -1.201 1.00 0.82 H new ATOM 0 HB2 LYS A 51 -6.348 -2.850 0.259 1.00 0.94 H new ATOM 0 HB3 LYS A 51 -7.011 -1.279 -0.143 1.00 0.94 H new ATOM 0 HG2 LYS A 51 -6.190 -2.991 -2.438 1.00 1.37 H new ATOM 0 HG3 LYS A 51 -7.553 -3.559 -1.494 1.00 1.37 H new ATOM 0 HD2 LYS A 51 -8.684 -2.358 -3.078 1.00 1.87 H new ATOM 0 HD3 LYS A 51 -8.464 -1.094 -1.885 1.00 1.87 H new ATOM 0 HE2 LYS A 51 -6.799 0.001 -3.141 1.00 2.64 H new ATOM 0 HE3 LYS A 51 -6.377 -1.442 -4.042 1.00 2.64 H new ATOM 0 HZ1 LYS A 51 -7.644 0.290 -5.276 1.00 2.89 H new ATOM 0 HZ2 LYS A 51 -8.308 -1.272 -5.339 1.00 2.89 H new ATOM 0 HZ3 LYS A 51 -8.996 -0.096 -4.325 1.00 2.89 H new ATOM 848 N GLU A 52 -5.360 0.884 -0.848 1.00 0.93 N ATOM 849 CA GLU A 52 -5.421 2.163 -1.524 1.00 1.07 C ATOM 850 C GLU A 52 -3.991 2.610 -1.840 1.00 0.95 C ATOM 851 O GLU A 52 -3.674 2.930 -2.980 1.00 0.95 O ATOM 852 CB GLU A 52 -6.225 3.128 -0.642 1.00 1.34 C ATOM 853 CG GLU A 52 -6.527 4.445 -1.355 1.00 1.46 C ATOM 854 CD GLU A 52 -7.562 5.246 -0.602 1.00 1.77 C ATOM 855 OE1 GLU A 52 -8.745 4.841 -0.590 1.00 3.01 O ATOM 856 OE2 GLU A 52 -7.163 6.277 -0.031 1.00 2.12 O ATOM 0 H GLU A 52 -5.709 0.903 0.110 1.00 0.93 H new ATOM 0 HA GLU A 52 -5.940 2.120 -2.482 1.00 1.07 H new ATOM 0 HB2 GLU A 52 -7.161 2.654 -0.347 1.00 1.34 H new ATOM 0 HB3 GLU A 52 -5.668 3.331 0.273 1.00 1.34 H new ATOM 0 HG2 GLU A 52 -5.611 5.028 -1.452 1.00 1.46 H new ATOM 0 HG3 GLU A 52 -6.884 4.242 -2.365 1.00 1.46 H new ATOM 863 N ALA A 53 -3.106 2.554 -0.851 1.00 0.91 N ATOM 864 CA ALA A 53 -1.681 2.782 -1.029 1.00 0.89 C ATOM 865 C ALA A 53 -1.130 1.930 -2.177 1.00 0.82 C ATOM 866 O ALA A 53 -0.436 2.427 -3.060 1.00 0.87 O ATOM 867 CB ALA A 53 -0.982 2.424 0.278 1.00 1.02 C ATOM 0 H ALA A 53 -3.366 2.345 0.113 1.00 0.91 H new ATOM 0 HA ALA A 53 -1.502 3.827 -1.283 1.00 0.89 H new ATOM 0 HB1 ALA A 53 0.091 2.586 0.173 1.00 1.02 H new ATOM 0 HB2 ALA A 53 -1.367 3.053 1.081 1.00 1.02 H new ATOM 0 HB3 ALA A 53 -1.169 1.377 0.516 1.00 1.02 H new ATOM 873 N TYR A 54 -1.451 0.639 -2.169 1.00 0.80 N ATOM 874 CA TYR A 54 -1.019 -0.318 -3.171 1.00 0.92 C ATOM 875 C TYR A 54 -1.487 0.092 -4.561 1.00 0.97 C ATOM 876 O TYR A 54 -0.807 -0.227 -5.524 1.00 1.31 O ATOM 877 CB TYR A 54 -1.498 -1.736 -2.818 1.00 0.99 C ATOM 878 CG TYR A 54 -1.258 -2.760 -3.910 1.00 0.97 C ATOM 879 CD1 TYR A 54 0.051 -3.211 -4.136 1.00 2.08 C ATOM 880 CD2 TYR A 54 -2.258 -3.021 -4.868 1.00 1.74 C ATOM 881 CE1 TYR A 54 0.395 -3.780 -5.373 1.00 2.24 C ATOM 882 CE2 TYR A 54 -1.908 -3.587 -6.106 1.00 1.74 C ATOM 883 CZ TYR A 54 -0.558 -3.835 -6.397 1.00 1.34 C ATOM 884 OH TYR A 54 -0.196 -4.290 -7.626 1.00 1.87 O ATOM 0 H TYR A 54 -2.035 0.223 -1.443 1.00 0.80 H new ATOM 0 HA TYR A 54 0.071 -0.326 -3.180 1.00 0.92 H new ATOM 0 HB2 TYR A 54 -0.992 -2.063 -1.910 1.00 0.99 H new ATOM 0 HB3 TYR A 54 -2.564 -1.703 -2.594 1.00 0.99 H new ATOM 0 HD1 TYR A 54 0.795 -3.121 -3.358 1.00 2.08 H new ATOM 0 HD2 TYR A 54 -3.290 -2.787 -4.652 1.00 1.74 H new ATOM 0 HE1 TYR A 54 1.388 -4.173 -5.533 1.00 2.24 H new ATOM 0 HE2 TYR A 54 -2.673 -3.829 -6.829 1.00 1.74 H new ATOM 0 HH TYR A 54 0.760 -4.127 -7.767 1.00 1.87 H new ATOM 894 N GLU A 55 -2.635 0.754 -4.687 1.00 0.83 N ATOM 895 CA GLU A 55 -3.160 1.242 -5.927 1.00 0.98 C ATOM 896 C GLU A 55 -2.470 2.566 -6.290 1.00 0.98 C ATOM 897 O GLU A 55 -2.238 2.851 -7.462 1.00 1.17 O ATOM 898 CB GLU A 55 -4.669 1.337 -5.713 1.00 1.14 C ATOM 899 CG GLU A 55 -5.272 2.360 -6.640 1.00 1.49 C ATOM 900 CD GLU A 55 -6.765 2.383 -6.536 1.00 1.70 C ATOM 901 OE1 GLU A 55 -7.397 1.309 -6.520 1.00 2.69 O ATOM 902 OE2 GLU A 55 -7.296 3.497 -6.385 1.00 2.14 O ATOM 0 H GLU A 55 -3.235 0.965 -3.890 1.00 0.83 H new ATOM 0 HA GLU A 55 -2.968 0.594 -6.782 1.00 0.98 H new ATOM 0 HB2 GLU A 55 -5.129 0.364 -5.888 1.00 1.14 H new ATOM 0 HB3 GLU A 55 -4.879 1.607 -4.678 1.00 1.14 H new ATOM 0 HG2 GLU A 55 -4.875 3.347 -6.402 1.00 1.49 H new ATOM 0 HG3 GLU A 55 -4.981 2.138 -7.667 1.00 1.49 H new ATOM 909 N VAL A 56 -2.170 3.401 -5.296 1.00 0.85 N ATOM 910 CA VAL A 56 -1.531 4.688 -5.515 1.00 0.91 C ATOM 911 C VAL A 56 -0.140 4.455 -6.098 1.00 0.95 C ATOM 912 O VAL A 56 0.236 5.064 -7.100 1.00 1.12 O ATOM 913 CB VAL A 56 -1.494 5.485 -4.192 1.00 0.93 C ATOM 914 CG1 VAL A 56 -0.490 6.648 -4.185 1.00 1.08 C ATOM 915 CG2 VAL A 56 -2.889 6.038 -3.874 1.00 0.99 C ATOM 0 H VAL A 56 -2.366 3.199 -4.316 1.00 0.85 H new ATOM 0 HA VAL A 56 -2.098 5.285 -6.229 1.00 0.91 H new ATOM 0 HB VAL A 56 -1.164 4.776 -3.433 1.00 0.93 H new ATOM 0 HG11 VAL A 56 -0.527 7.155 -3.221 1.00 1.08 H new ATOM 0 HG12 VAL A 56 0.515 6.262 -4.353 1.00 1.08 H new ATOM 0 HG13 VAL A 56 -0.745 7.353 -4.976 1.00 1.08 H new ATOM 0 HG21 VAL A 56 -2.854 6.598 -2.940 1.00 0.99 H new ATOM 0 HG22 VAL A 56 -3.212 6.697 -4.680 1.00 0.99 H new ATOM 0 HG23 VAL A 56 -3.594 5.212 -3.776 1.00 0.99 H new ATOM 925 N LEU A 57 0.628 3.569 -5.472 1.00 0.93 N ATOM 926 CA LEU A 57 2.051 3.413 -5.715 1.00 1.16 C ATOM 927 C LEU A 57 2.357 2.609 -6.976 1.00 1.46 C ATOM 928 O LEU A 57 3.268 1.781 -6.962 1.00 2.68 O ATOM 929 CB LEU A 57 2.694 2.801 -4.471 1.00 1.23 C ATOM 930 CG LEU A 57 2.579 3.728 -3.254 1.00 1.20 C ATOM 931 CD1 LEU A 57 3.107 2.949 -2.055 1.00 1.48 C ATOM 932 CD2 LEU A 57 3.387 5.016 -3.456 1.00 1.33 C ATOM 0 H LEU A 57 0.267 2.927 -4.767 1.00 0.93 H new ATOM 0 HA LEU A 57 2.482 4.397 -5.901 1.00 1.16 H new ATOM 0 HB2 LEU A 57 2.217 1.847 -4.247 1.00 1.23 H new ATOM 0 HB3 LEU A 57 3.745 2.592 -4.671 1.00 1.23 H new ATOM 0 HG LEU A 57 1.542 4.029 -3.103 1.00 1.20 H new ATOM 0 HD11 LEU A 57 3.045 3.570 -1.162 1.00 1.48 H new ATOM 0 HD12 LEU A 57 2.508 2.049 -1.913 1.00 1.48 H new ATOM 0 HD13 LEU A 57 4.146 2.670 -2.231 1.00 1.48 H new ATOM 0 HD21 LEU A 57 3.285 5.651 -2.576 1.00 1.33 H new ATOM 0 HD22 LEU A 57 4.438 4.767 -3.604 1.00 1.33 H new ATOM 0 HD23 LEU A 57 3.013 5.546 -4.332 1.00 1.33 H new ATOM 944 N THR A 58 1.651 2.868 -8.076 1.00 1.50 N ATOM 945 CA THR A 58 1.718 2.025 -9.260 1.00 1.60 C ATOM 946 C THR A 58 1.939 2.854 -10.517 1.00 2.22 C ATOM 947 O THR A 58 1.450 2.501 -11.588 1.00 2.30 O ATOM 948 CB THR A 58 0.474 1.129 -9.312 1.00 1.73 C ATOM 949 OG1 THR A 58 -0.693 1.878 -9.577 1.00 2.41 O ATOM 950 CG2 THR A 58 0.305 0.471 -7.944 1.00 1.82 C ATOM 0 H THR A 58 1.021 3.665 -8.168 1.00 1.50 H new ATOM 0 HA THR A 58 2.585 1.367 -9.204 1.00 1.60 H new ATOM 0 HB THR A 58 0.609 0.396 -10.107 1.00 1.73 H new ATOM 0 HG1 THR A 58 -1.122 2.125 -8.731 1.00 2.41 H new ATOM 0 HG21 THR A 58 -0.575 -0.172 -7.956 1.00 1.82 H new ATOM 0 HG22 THR A 58 1.188 -0.126 -7.716 1.00 1.82 H new ATOM 0 HG23 THR A 58 0.181 1.241 -7.183 1.00 1.82 H new ATOM 958 N ASP A 59 2.725 3.928 -10.377 1.00 2.94 N ATOM 959 CA ASP A 59 3.232 4.735 -11.478 1.00 3.89 C ATOM 960 C ASP A 59 2.085 5.224 -12.351 1.00 2.83 C ATOM 961 O ASP A 59 1.760 4.619 -13.373 1.00 3.33 O ATOM 962 CB ASP A 59 4.249 3.939 -12.303 1.00 5.79 C ATOM 963 CG ASP A 59 4.770 4.783 -13.442 1.00 7.04 C ATOM 964 OD1 ASP A 59 5.666 5.603 -13.156 1.00 8.01 O ATOM 965 OD2 ASP A 59 4.272 4.633 -14.578 1.00 7.40 O ATOM 0 H ASP A 59 3.031 4.264 -9.464 1.00 2.94 H new ATOM 0 HA ASP A 59 3.740 5.607 -11.066 1.00 3.89 H new ATOM 0 HB2 ASP A 59 5.076 3.622 -11.667 1.00 5.79 H new ATOM 0 HB3 ASP A 59 3.783 3.035 -12.694 1.00 5.79 H new ATOM 970 N SER A 60 1.423 6.300 -11.942 1.00 2.76 N ATOM 971 CA SER A 60 0.423 6.907 -12.784 1.00 3.06 C ATOM 972 C SER A 60 0.521 8.407 -12.505 1.00 2.88 C ATOM 973 O SER A 60 1.544 9.011 -12.815 1.00 3.30 O ATOM 974 CB SER A 60 -0.929 6.219 -12.492 1.00 4.06 C ATOM 975 OG SER A 60 -0.777 4.824 -12.290 1.00 4.99 O ATOM 0 H SER A 60 1.564 6.759 -11.042 1.00 2.76 H new ATOM 0 HA SER A 60 0.555 6.778 -13.858 1.00 3.06 H new ATOM 0 HB2 SER A 60 -1.381 6.667 -11.607 1.00 4.06 H new ATOM 0 HB3 SER A 60 -1.613 6.394 -13.323 1.00 4.06 H new ATOM 0 HG SER A 60 -1.652 4.423 -12.106 1.00 4.99 H new ATOM 981 N GLN A 61 -0.435 8.982 -11.788 1.00 2.65 N ATOM 982 CA GLN A 61 -0.369 10.310 -11.227 1.00 2.79 C ATOM 983 C GLN A 61 -0.440 10.183 -9.713 1.00 2.22 C ATOM 984 O GLN A 61 0.225 10.923 -8.998 1.00 2.50 O ATOM 985 CB GLN A 61 -1.509 11.162 -11.781 1.00 3.54 C ATOM 986 CG GLN A 61 -1.457 12.508 -11.069 1.00 3.89 C ATOM 987 CD GLN A 61 -2.349 13.565 -11.708 1.00 5.08 C ATOM 988 OE1 GLN A 61 -3.492 13.290 -12.062 1.00 5.38 O ATOM 989 NE2 GLN A 61 -1.852 14.785 -11.864 1.00 6.31 N ATOM 0 H GLN A 61 -1.313 8.508 -11.577 1.00 2.65 H new ATOM 0 HA GLN A 61 0.563 10.805 -11.498 1.00 2.79 H new ATOM 0 HB2 GLN A 61 -1.403 11.293 -12.858 1.00 3.54 H new ATOM 0 HB3 GLN A 61 -2.470 10.675 -11.612 1.00 3.54 H new ATOM 0 HG2 GLN A 61 -1.754 12.372 -10.029 1.00 3.89 H new ATOM 0 HG3 GLN A 61 -0.428 12.867 -11.062 1.00 3.89 H new ATOM 0 HE21 GLN A 61 -0.900 14.990 -11.562 1.00 6.31 H new ATOM 0 HE22 GLN A 61 -2.422 15.518 -12.286 1.00 6.31 H new ATOM 998 N LYS A 62 -1.245 9.237 -9.225 1.00 1.96 N ATOM 999 CA LYS A 62 -1.293 8.891 -7.814 1.00 1.92 C ATOM 1000 C LYS A 62 0.140 8.745 -7.263 1.00 1.50 C ATOM 1001 O LYS A 62 0.450 9.265 -6.198 1.00 1.93 O ATOM 1002 CB LYS A 62 -2.115 7.605 -7.634 1.00 2.46 C ATOM 1003 CG LYS A 62 -3.566 7.677 -8.141 1.00 3.03 C ATOM 1004 CD LYS A 62 -4.293 6.343 -7.876 1.00 3.45 C ATOM 1005 CE LYS A 62 -5.713 6.384 -8.465 1.00 4.30 C ATOM 1006 NZ LYS A 62 -6.396 5.069 -8.495 1.00 5.36 N ATOM 0 H LYS A 62 -1.882 8.691 -9.805 1.00 1.96 H new ATOM 0 HA LYS A 62 -1.781 9.683 -7.247 1.00 1.92 H new ATOM 0 HB2 LYS A 62 -1.606 6.792 -8.152 1.00 2.46 H new ATOM 0 HB3 LYS A 62 -2.130 7.348 -6.575 1.00 2.46 H new ATOM 0 HG2 LYS A 62 -4.092 8.491 -7.643 1.00 3.03 H new ATOM 0 HG3 LYS A 62 -3.575 7.898 -9.208 1.00 3.03 H new ATOM 0 HD2 LYS A 62 -3.732 5.521 -8.319 1.00 3.45 H new ATOM 0 HD3 LYS A 62 -4.342 6.154 -6.804 1.00 3.45 H new ATOM 0 HE2 LYS A 62 -6.316 7.081 -7.883 1.00 4.30 H new ATOM 0 HE3 LYS A 62 -5.662 6.778 -9.480 1.00 4.30 H new ATOM 0 HZ1 LYS A 62 -7.287 5.152 -9.025 1.00 5.36 H new ATOM 0 HZ2 LYS A 62 -5.782 4.369 -8.958 1.00 5.36 H new ATOM 0 HZ3 LYS A 62 -6.600 4.761 -7.523 1.00 5.36 H new ATOM 1020 N ARG A 63 1.013 8.101 -8.040 1.00 1.36 N ATOM 1021 CA ARG A 63 2.450 8.020 -7.802 1.00 1.33 C ATOM 1022 C ARG A 63 3.115 8.892 -8.854 1.00 1.71 C ATOM 1023 O ARG A 63 3.557 8.380 -9.886 1.00 3.38 O ATOM 1024 CB ARG A 63 2.942 6.572 -7.874 1.00 1.72 C ATOM 1025 CG ARG A 63 4.485 6.498 -7.891 1.00 2.21 C ATOM 1026 CD ARG A 63 5.118 5.694 -6.754 1.00 2.80 C ATOM 1027 NE ARG A 63 5.215 4.254 -7.061 1.00 3.68 N ATOM 1028 CZ ARG A 63 6.153 3.397 -6.625 1.00 4.53 C ATOM 1029 NH1 ARG A 63 7.287 3.808 -6.069 1.00 5.03 N ATOM 1030 NH2 ARG A 63 5.956 2.088 -6.744 1.00 5.55 N ATOM 0 H ARG A 63 0.725 7.604 -8.883 1.00 1.36 H new ATOM 0 HA ARG A 63 2.701 8.371 -6.801 1.00 1.33 H new ATOM 0 HB2 ARG A 63 2.559 6.014 -7.019 1.00 1.72 H new ATOM 0 HB3 ARG A 63 2.544 6.096 -8.770 1.00 1.72 H new ATOM 0 HG2 ARG A 63 4.800 6.063 -8.839 1.00 2.21 H new ATOM 0 HG3 ARG A 63 4.880 7.513 -7.859 1.00 2.21 H new ATOM 0 HD2 ARG A 63 6.114 6.085 -6.548 1.00 2.80 H new ATOM 0 HD3 ARG A 63 4.529 5.829 -5.847 1.00 2.80 H new ATOM 0 HE ARG A 63 4.493 3.868 -7.669 1.00 3.68 H new ATOM 0 HH11 ARG A 63 7.470 4.806 -5.961 1.00 5.03 H new ATOM 0 HH12 ARG A 63 7.975 3.126 -5.750 1.00 5.03 H new ATOM 0 HH21 ARG A 63 5.095 1.738 -7.165 1.00 5.55 H new ATOM 0 HH22 ARG A 63 6.665 1.433 -6.414 1.00 5.55 H new ATOM 1044 N ALA A 64 3.147 10.190 -8.580 1.00 1.33 N ATOM 1045 CA ALA A 64 3.941 11.202 -9.231 1.00 1.53 C ATOM 1046 C ALA A 64 3.530 12.590 -8.773 1.00 1.19 C ATOM 1047 O ALA A 64 4.365 13.485 -8.752 1.00 1.25 O ATOM 1048 CB ALA A 64 3.737 11.099 -10.729 1.00 2.14 C ATOM 0 H ALA A 64 2.570 10.584 -7.837 1.00 1.33 H new ATOM 0 HA ALA A 64 4.988 11.044 -8.973 1.00 1.53 H new ATOM 0 HB1 ALA A 64 4.334 11.861 -11.231 1.00 2.14 H new ATOM 0 HB2 ALA A 64 4.047 10.112 -11.071 1.00 2.14 H new ATOM 0 HB3 ALA A 64 2.683 11.250 -10.964 1.00 2.14 H new ATOM 1054 N ALA A 65 2.254 12.801 -8.460 1.00 1.17 N ATOM 1055 CA ALA A 65 1.733 14.088 -8.040 1.00 1.27 C ATOM 1056 C ALA A 65 2.513 14.616 -6.839 1.00 1.31 C ATOM 1057 O ALA A 65 3.079 15.709 -6.863 1.00 1.50 O ATOM 1058 CB ALA A 65 0.252 13.932 -7.690 1.00 1.76 C ATOM 0 H ALA A 65 1.546 12.067 -8.493 1.00 1.17 H new ATOM 0 HA ALA A 65 1.842 14.807 -8.852 1.00 1.27 H new ATOM 0 HB1 ALA A 65 -0.150 14.894 -7.373 1.00 1.76 H new ATOM 0 HB2 ALA A 65 -0.294 13.582 -8.566 1.00 1.76 H new ATOM 0 HB3 ALA A 65 0.143 13.209 -6.882 1.00 1.76 H new ATOM 1064 N TYR A 66 2.532 13.814 -5.778 1.00 1.50 N ATOM 1065 CA TYR A 66 3.228 14.174 -4.562 1.00 2.03 C ATOM 1066 C TYR A 66 4.727 14.295 -4.831 1.00 2.15 C ATOM 1067 O TYR A 66 5.378 15.212 -4.337 1.00 2.63 O ATOM 1068 CB TYR A 66 2.900 13.165 -3.449 1.00 2.36 C ATOM 1069 CG TYR A 66 2.061 13.771 -2.343 1.00 3.26 C ATOM 1070 CD1 TYR A 66 2.673 14.620 -1.405 1.00 4.07 C ATOM 1071 CD2 TYR A 66 0.667 13.585 -2.310 1.00 4.51 C ATOM 1072 CE1 TYR A 66 1.907 15.218 -0.391 1.00 4.97 C ATOM 1073 CE2 TYR A 66 -0.088 14.149 -1.267 1.00 5.81 C ATOM 1074 CZ TYR A 66 0.550 14.887 -0.258 1.00 5.65 C ATOM 1075 OH TYR A 66 -0.135 15.181 0.884 1.00 6.83 O ATOM 0 H TYR A 66 2.068 12.906 -5.743 1.00 1.50 H new ATOM 0 HA TYR A 66 2.889 15.150 -4.216 1.00 2.03 H new ATOM 0 HB2 TYR A 66 2.369 12.315 -3.879 1.00 2.36 H new ATOM 0 HB3 TYR A 66 3.828 12.781 -3.027 1.00 2.36 H new ATOM 0 HD1 TYR A 66 3.734 14.813 -1.464 1.00 4.07 H new ATOM 0 HD2 TYR A 66 0.179 13.011 -3.083 1.00 4.51 H new ATOM 0 HE1 TYR A 66 2.360 15.929 0.283 1.00 4.97 H new ATOM 0 HE2 TYR A 66 -1.159 14.014 -1.242 1.00 5.81 H new ATOM 0 HH TYR A 66 -1.063 14.879 0.796 1.00 6.83 H new